| 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 | 27.2 | Very low | 29.1 | Very low | 228 Ų | 228 | 122 Ų | 122 | 100% | 1.123 | 63% | 0.625 | S | S | * | * | 0 | -41.7 | 0 | -74.6 | -174 | -161.8 | 0 | 0 | 113.5 | |||||
| 2 | R | 29.1 | Very low | 28.9 | Very low | 220 Ų | 220 | 123.8 Ų | 123.8 | 83% | 0.83 | 63% | 0.632 | S | S | * | * | trans | -74.2 | -20.7 | 178.7 | -81.5 | -176.5 | 177 | 172.4 | -1 | 115.9 | W6 | R2-W6 PolarHBondContact O-NE1 3.45Š| ||
| 3 | C | 28.4 | Very low | 29.2 | Very low | 112 Ų | 112 | 126.8 Ų | 126.8 | 76% | 0.757 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -75.7 | -33.8 | 178 | -72 | 0 | 0 | 0 | 0 | 114.5 | F5 | C3-F5 PolarHBondContact O-N 2.94Š|
| 4 | N | 30 | Very low | 30.4 | Very low | 141 Ų | 141 | 124.2 Ų | 124.2 | 75% | 0.754 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -77.2 | -5.3 | -179.1 | -74.9 | 12 | 0 | 0 | 0 | 114.1 | ||
| 5 | F | 28.6 | Very low | 32 | Very low | 130 Ų | 130 | 121.9 Ų | 121.9 | 57% | 0.57 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -94.5 | -14.9 | -178.7 | -152.3 | -95.5 | 0 | 0 | 0 | 112.8 | C3 T8 L9 | C3-F5 PolarHBondContact O-N 2.94Å; F5-T8 PolarHBondContact O-OG1 3.5Å; F5-L9 HydrophobicContact CD1-CD1 3.83Å; F5-L9 HydrophobicContact CE1-CD1 3.76Å |
| 6 | W | 25 | Very low | 34.5 | Very low | 133 Ų | 133 | 117.1 Ų | 117.1 | 50% | 0.504 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -82 | -21.8 | -179.2 | -71.4 | 100.9 | 0 | 0 | 0 | 113.5 | R2 L1497 | R2-W6 PolarHBondContact O-NE1 3.45Å; W6-L1497 HydrophobicContact CH2-CD2 3.85Å; W6-L1497 HydrophobicContact CH2-CG 4.17Å |
| 7 | S | 33.8 | Very low | 37.4 | Very low | 61 Ų | 61 | 112.5 Ų | 112.5 | 43% | 0.427 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.3 | -39.4 | 172 | 71.3 | 0 | 0 | 0 | 0 | 111 | L9 G10 E11 | S7-L9 PolarHBondContact O-N 3.13Å; S7-G10 PolarHBondContact O-N 3.09Å; S7-E11 WeakPolarHBondContact CB-OE1 3.42Å; S7-E11 VanDerWaalsContact O-CB 3.3Å; S7-E11 WeakPolarHBondContact O-CB 3.33Å; S7-E11 WeakPolarHBondContact O-CG 3.37Å; S7-E11 PolarHBondContact O-N 2.87Å |
| 8 | T | 29.3 | Very low | 40.4 | Very low | 65 Ų | 65 | 106.2 Ų | 106.2 | 40% | 0.399 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -71.4 | -27.2 | -173.9 | 7.6 | 0 | 0 | 0 | 0 | 114.5 | F5 | F5-T8 PolarHBondContact O-OG1 3.5Å |
| 9 | L | 27.6 | Very low | 43.2 | Very low | 128 Ų | 128 | 100.6 Ų | 100.6 | 67% | 0.67 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -82.2 | -19 | -179 | -95.2 | 151.3 | 0 | 0 | 0 | 113.8 | F5 S7 | F5-L9 HydrophobicContact CD1-CD1 3.83Å; F5-L9 HydrophobicContact CE1-CD1 3.76Å; S7-L9 PolarHBondContact O-N 3.13Å |
| 10 | G | 31.2 | Very low | 45.7 | Very low | 47 Ų | 47 | 95.6 Ų | 95.6 | 49% | 0.485 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -96 | -11.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | S7 | S7-G10 PolarHBondContact O-N 3.09Å |
| 11 | E | 29.6 | Very low | 48 | Very low | 77 Ų | 77 | 91 Ų | 91 | 36% | 0.36 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -87.5 | -13.3 | -171.1 | -87.8 | 166.1 | -174 | 0 | 0 | 115 | S7 | S7-E11 WeakPolarHBondContact CB-OE1 3.42Å; S7-E11 VanDerWaalsContact O-CB 3.3Å; S7-E11 WeakPolarHBondContact O-CB 3.33Å; S7-E11 WeakPolarHBondContact O-CG 3.37Å; S7-E11 PolarHBondContact O-N 2.87Å |
| 12 | M | 27.1 | Very low | 51.4 | Low | 144 Ų | 144 | 80.2 Ų | 80.2 | 71% | 0.709 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -94 | -16.5 | -171.6 | -72.7 | -104.4 | 63.7 | 0 | 0 | 115.4 | E14 | M12-E14 VanDerWaalsContact C-N 3.28Å; M12-E14 PolarHBondContact O-N 2.97Å; M12-E14 VanDerWaalsContact O-N 3.14Å |
| 13 | H | 33.5 | Very low | 54.6 | Low | 163 Ų | 163 | 69.8 Ų | 69.8 | 76% | 0.755 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -71.1 | 104.7 | 146 | -85.3 | -73.9 | 0 | 0 | 0 | 103.4 | Q15 | H13-Q15 PolarHBondContact O-N 2.89Š|
| 14 | E | 45.7 | Very low | 57.8 | Low | 90 Ų | 90 | 64.8 Ų | 64.8 | 42% | 0.421 | 33% | 0.329 | S | S | . | . | trans | -32.2 | 113.2 | 156.1 | -77.3 | 170.4 | -172.8 | 0 | 0 | 105.2 | M12 L16 | M12-E14 VanDerWaalsContact C-N 3.28Å; M12-E14 PolarHBondContact O-N 2.97Å; M12-E14 VanDerWaalsContact O-N 3.14Å; E14-L16 HydrophobicContact CB-CD2 4.27Å; E14-L16 WeakPolarHBondContact O-CG 3.06Å; E14-L16 PolarHBondContact O-N 2.94Å | ||
| 15 | Q | 54.3 | Low | 61 | Low | 89 Ų | 89 | 58.1 Ų | 58.1 | 42% | 0.416 | 29% | 0.293 | S | S | . | . | trans | -66.5 | 86.4 | -171 | -76.9 | -178.7 | -5.9 | 0 | 0 | 106.8 | H13 R17 M734 | H13-Q15 PolarHBondContact O-N 2.89Å; Q15-R17 PolarHBondContact O-N 3.34Å; Q15-M734 VanDerWaalsContact OE1-CE 3.31Å | ||
| 16 | L | 72.2 | Confident | 64.2 | Low | 46 Ų | 46 | 52 Ų | 52 | 24% | 0.241 | 27% | 0.266 | C | S | . | . | trans | -62.8 | 125.7 | 179.6 | -62.4 | -176.5 | 0 | 0 | 0 | 105.1 | E14 F337 F376 | E14-L16 HydrophobicContact CB-CD2 4.27Å; E14-L16 WeakPolarHBondContact O-CG 3.06Å; E14-L16 PolarHBondContact O-N 2.94Å; L16-F337 HydrophobicContact CD1-CZ 4.3Å; L16-F337 HydrophobicContact CD2-CE2 4.25Å; L16-F337 HydrophobicContact CD2-CZ 3.95Å; L16-F376 HydrophobicContact CB-CB 3.98Å; L16-F376 HydrophobicContact CB-CD1 3.66Å; L16-F376 HydrophobicContact CB-CD2 3.92Å; L16-F376 HydrophobicContact CB-CE1 4.09Å; L16-F376 HydrophobicContact CB-CE2 4.31Å; L16-F376 HydrophobicContact CB-CG 3.57Å; L16-F376 HydrophobicContact CB-CZ 4.39Å; L16-F376 HydrophobicContact CD1-CD1 3.78Å; L16-F376 HydrophobicContact CD1-CE1 3.66Å; L16-F376 HydrophobicContact CD1-CZ 4.32Å; L16-F376 HydrophobicContact CG-CD1 4.38Å; L16-F376 VanDerWaalsContact O-CB 3.28Å; L16-F376 WeakPolarHBondContact O-CB 3.27Å | ||
| 17 | R | 83.8 | Confident | 67.5 | Low | 38 Ų | 38 | 47.2 Ų | 47.2 | 14% | 0.143 | 25% | 0.25 | C | S | . | . | trans | -113.1 | 153.7 | 177.6 | -68.2 | 175.2 | -63 | -152.7 | -4.5 | 108.2 | Q15 F19 D20 | Q15-R17 PolarHBondContact O-N 3.34Å; R17-F19 WeakPolarHBondContact CB-O 3.27Å; R17-F19 PolarHBondContact O-N 3.39Å; R17-D20 IonicContact CZ-OD1 3.83Å; R17-D20 IonicContact NE-OD1 3.83Å; R17-D20 PolarHBondContact NE-OD1 2.82Å; R17-D20 IonicContact NH2-OD1 3.55Å; R17-D20 PolarHBondContact NH2-OD1 3.3Å | ||
| 18 | I | 91.4 | Very high | 70.3 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -60.5 | -39.4 | 176.6 | -71.4 | 176.8 | 0 | 0 | 0 | 110.5 | S335 F339 F343 L370 V374 F395 | I18-S335 WeakPolarHBondContact O-CB 3.01Å; I18-S335 PolarHBondContact O-OG 3.01Å; I18-F339 HydrophobicContact CG2-CD2 4.27Å; I18-F343 HydrophobicContact CG2-CE1 3.8Å; I18-F343 HydrophobicContact CG2-CZ 4.39Å; I18-F343 WeakPolarHBondContact O-CZ 3.46Å; I18-L370 HydrophobicContact CD1-CD1 3.7Å; I18-L370 HydrophobicContact CD1-CG 4.47Å; I18-L370 HydrophobicContact CG2-CD1 4.38Å; I18-L370 HydrophobicContact CG2-CD2 4.47Å; I18-L370 HydrophobicContact CG2-CG 4.32Å; I18-V374 HydrophobicContact CD1-CB 3.86Å; I18-V374 HydrophobicContact CD1-CG1 3.39Å; I18-F395 HydrophobicContact CD1-CD1 4.34Å; I18-F395 HydrophobicContact CD1-CD2 4.1Å; I18-F395 HydrophobicContact CD1-CE1 4.45Å; I18-F395 HydrophobicContact CD1-CE2 4.2Å; I18-F395 HydrophobicContact CD1-CG 4.17Å; I18-F395 HydrophobicContact CD1-CZ 4.38Å; I18-F395 HydrophobicContact CG2-CD1 3.87Å; I18-F395 HydrophobicContact CG2-CE1 3.39Å; I18-F395 HydrophobicContact CG2-CZ 3.85Å |
| 19 | F | 94 | Very high | 72.9 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -147.2 | 163.4 | 170.4 | 70.1 | -90.6 | 0 | 0 | 0 | 111.8 | R17 Y21 F22 V333 F343 I367 L370 M371 | R17-F19 WeakPolarHBondContact CB-O 3.27Å; R17-F19 PolarHBondContact O-N 3.39Å; F19-Y21 WeakPolarHBondContact CD2-O 3.42Å; F19-F22 HydrophobicContact CE2-CB 4.01Å; F19-V333 HydrophobicContact CB-CG1 3.28Å; F19-V333 HydrophobicContact CD1-CG1 4.09Å; F19-V333 HydrophobicContact CD2-CG1 3.99Å; F19-V333 HydrophobicContact CG-CG1 3.53Å; F19-F343 HydrophobicContact CB-CE1 4.36Å; F19-F343 HydrophobicContact CB-CZ 4.28Å; F19-I367 HydrophobicContact CE2-CG2 4.47Å; F19-I367 HydrophobicContact CZ-CG2 4.06Å; F19-L370 HydrophobicContact CD1-CD2 4.16Å; F19-L370 HydrophobicContact CD1-CG 4.28Å; F19-L370 HydrophobicContact CE1-CB 4Å; F19-L370 HydrophobicContact CE1-CD2 3.84Å; F19-L370 HydrophobicContact CE1-CG 3.86Å; F19-M371 HydrophobicContact CE1-CB 4.08Å; F19-M371 HydrophobicContact CE2-CB 4.17Å; F19-M371 HydrophobicContact CE2-CG 4.18Å; F19-M371 HydrophobicContact CE2-SD 4.05Å; F19-M371 HydrophobicContact CZ-CB 3.71Å; F19-M371 HydrophobicContact CZ-CG 4.22Å; F19-M371 HydrophobicContact CZ-SD 4.5Å | ||
| 20 | D | 91.7 | Very high | 75.7 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -108.4 | -30.8 | -173.2 | -66.6 | -66.8 | 0 | 0 | 0 | 112.6 | R17 P223 I227 V334 R336 M371 | R17-D20 IonicContact CZ-OD1 3.83Å; R17-D20 IonicContact NE-OD1 3.83Å; R17-D20 PolarHBondContact NE-OD1 2.82Å; R17-D20 IonicContact NH2-OD1 3.55Å; R17-D20 PolarHBondContact NH2-OD1 3.3Å; D20-P223 WeakPolarHBondContact O-CD 3.44Å; D20-I227 HydrophobicContact CB-CD1 3.82Å; D20-I227 VanDerWaalsContact O-CD1 3.32Å; D20-I227 WeakPolarHBondContact O-CD1 3.24Å; D20-V334 PolarHBondContact N-O 3.16Å; D20-R336 IonicContact OD1-CZ 2.79Å; D20-R336 IonicContact OD1-NE 3.19Å; D20-R336 IonicContact OD1-NH2 3.95Å; D20-R336 PolarHBondContact OD1-NH2 3.45Å; D20-R336 IonicContact OD2-CZ 3.96Å; D20-R336 PolarHBondContact OD2-N 3.26Å; D20-R336 IonicContact OD2-NE 3.2Å; D20-R336 PolarHBondContact OD2-NE 3.28Å; D20-R336 IonicContact OD2-NH2 2.76Å; D20-M371 WeakPolarHBondContact O-CE 3.22Å |
| 21 | Y | 95.2 | Very high | 78.3 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 144.6 | 175 | -56.8 | -88.9 | 0 | 0 | 0 | 113.2 | F19 F222 P223 I227 Y230 L232 V333 V334 | F19-Y21 WeakPolarHBondContact CD2-O 3.42Å; Y21-F222 CarbonylContact C-O 3.55Å; Y21-F222 WeakPolarHBondContact CA-O 3.32Å; Y21-P223 HydrophobicContact CD1-CG 4.31Å; Y21-P223 HydrophobicContact CE1-CG 4.32Å; Y21-I227 HydrophobicContact CE1-CD1 4.1Å; Y21-I227 HydrophobicContact CE1-CG1 4.41Å; Y21-I227 HydrophobicContact CE2-CD1 3.96Å; Y21-I227 WeakPolarHBondContact OH-CB 3.35Å; Y21-I227 PolarHBondContact OH-N 3.35Å; Y21-Y230 WeakPolarHBondContact CE2-O 3.41Å; Y21-Y230 PolarHBondContact OH-O 3.29Å; Y21-L232 HydrophobicContact CD1-CB 4.33Å; Y21-L232 HydrophobicContact CD1-CD1 4.39Å; Y21-L232 HydrophobicContact CD2-CD1 3.89Å; Y21-L232 HydrophobicContact CE1-CB 3.99Å; Y21-L232 HydrophobicContact CE2-CB 4.17Å; Y21-L232 HydrophobicContact CE2-CD1 4.32Å; Y21-L232 HydrophobicContact CG-CD1 3.93Å; Y21-L232 PolarHBondContact OH-N 3.47Å; Y21-V333 WeakPolarHBondContact O-CA 3.43Å; Y21-V334 PolarHBondContact N-O 3.11Å; Y21-V334 PolarHBondContact O-N 2.79Å |
| 22 | F | 97.2 | Very high | 80.9 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 131.9 | 164.2 | -174.8 | -84.7 | 0 | 0 | 0 | 109.1 | F19 V24 R221 F222 I331 C332 V333 L347 L350 I367 F718 L721 | F19-F22 HydrophobicContact CE2-CB 4.01Å; F22-V24 HydrophobicContact CE1-CG2 4.18Å; F22-R221 CarbonylContact O-C 3.53Å; F22-R221 WeakPolarHBondContact O-CA 3.29Å; F22-F222 HydrophobicContact CB-CB 4.5Å; F22-F222 PolarHBondContact N-O 3.42Å; F22-F222 PolarHBondContact O-N 3.49Å; F22-I331 HydrophobicContact CZ-CB 4.04Å; F22-I331 HydrophobicContact CZ-CG2 4.28Å; F22-C332 CarbonylContact C-O 3.58Å; F22-C332 WeakPolarHBondContact CA-O 3.42Å; F22-V333 HydrophobicContact CD2-CG2 3.84Å; F22-V333 HydrophobicContact CE2-CG2 4.38Å; F22-L347 HydrophobicContact CE2-CD2 3.86Å; F22-L350 HydrophobicContact CE2-CD1 3.71Å; F22-L350 HydrophobicContact CZ-CD1 4.12Å; F22-I367 HydrophobicContact CB-CG2 3.77Å; F22-I367 HydrophobicContact CD1-CD1 3.65Å; F22-I367 HydrophobicContact CD1-CG1 4.44Å; F22-I367 HydrophobicContact CD2-CD1 4.09Å; F22-I367 HydrophobicContact CD2-CG1 4.05Å; F22-I367 HydrophobicContact CD2-CG2 4.25Å; F22-I367 HydrophobicContact CE1-CD1 3.57Å; F22-I367 HydrophobicContact CE2-CD1 4.02Å; F22-I367 HydrophobicContact CE2-CG1 4.12Å; F22-I367 HydrophobicContact CG-CD1 3.91Å; F22-I367 HydrophobicContact CG-CG1 4.22Å; F22-I367 HydrophobicContact CG-CG2 3.95Å; F22-I367 HydrophobicContact CZ-CD1 3.77Å; F22-I367 HydrophobicContact CZ-CG1 4.35Å; F22-F718 HydrophobicContact CE1-CE1 4.37Å; F22-F718 HydrophobicContact CE1-CZ 4.08Å; F22-F718 AromaticContact CZ-CZ 3.92Å; F22-F718 HydrophobicContact CZ-CZ 3.92Å; F22-L721 HydrophobicContact CD1-CD1 3.9Å; F22-L721 HydrophobicContact CE1-CD1 4.01Å |
| 23 | L | 96.5 | Very high | 83.4 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 146.3 | -170.2 | -48.3 | 172.7 | 0 | 0 | 0 | 111.2 | L218 R221 L232 V236 I331 C332 V334 | L23-L218 HydrophobicContact CB-CD1 3.96Å; L23-L218 HydrophobicContact CD2-CD1 4.04Å; L23-L218 HydrophobicContact CG-CD1 4.44Å; L23-R221 HydrophobicContact CD2-CB 3.69Å; L23-L232 HydrophobicContact CD1-CD1 3.94Å; L23-L232 HydrophobicContact CD1-CD2 4.38Å; L23-L232 HydrophobicContact CD2-CD1 4.18Å; L23-L232 HydrophobicContact CD2-CD2 3.57Å; L23-V236 HydrophobicContact CD1-CB 4.25Å; L23-V236 HydrophobicContact CD1-CG1 3.36Å; L23-I331 CarbonylContact O-C 3.48Å; L23-I331 WeakPolarHBondContact O-CA 3.32Å; L23-C332 HydrophobicContact CB-CB 4.27Å; L23-C332 PolarHBondContact N-O 2.94Å; L23-C332 PolarHBondContact O-N 2.89Å; L23-V334 HydrophobicContact CD1-CG2 3.65Å; L23-V334 HydrophobicContact CG-CG2 4.46Å |
| 24 | V | 97 | Very high | 85.3 | Confident | 8 Ų | 8 | 43.2 Ų | 43.2 | 5% | 0.048 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 121.9 | 167.6 | -171.2 | 0 | 0 | 0 | 0 | 108 | F22 L219 D220 C330 I331 F718 L721 | F22-V24 HydrophobicContact CE1-CG2 4.18Å; V24-L219 HydrophobicContact CB-CB 4.36Å; V24-L219 HydrophobicContact CG1-CB 4.18Å; V24-L219 HydrophobicContact CG1-CD1 4.29Å; V24-L219 PolarHBondContact O-N 2.82Å; V24-D220 HydrophobicContact CB-CB 3.96Å; V24-D220 HydrophobicContact CG2-CB 3.98Å; V24-D220 PolarHBondContact N-O 2.83Å; V24-D220 PolarHBondContact O-N 3.46Å; V24-C330 CarbonylContact C-O 3.54Å; V24-C330 WeakPolarHBondContact CA-O 3.47Å; V24-I331 HydrophobicContact CG2-CG2 4.46Å; V24-F718 HydrophobicContact CG1-CD1 4.42Å; V24-F718 HydrophobicContact CG2-CD1 4.21Å; V24-F718 HydrophobicContact CG2-CE1 3.76Å; V24-L721 HydrophobicContact CG2-CD1 4.24Å |
| 25 | A | 96.6 | Very high | 86 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.008 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 149.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | G217 P237 C240 C330 | A25-G217 WeakPolarHBondContact CA-O 3.13Å; A25-P237 HydrophobicContact CB-CB 4.21Å; A25-C240 HydrophobicContact CB-CB 3.93Å; A25-C330 HydrophobicContact CB-CB 4.41Å; A25-C330 PolarHBondContact N-O 3.25Å; A25-C330 PolarHBondContact O-N 3.44Å |
| 26 | G | 95.5 | Very high | 85.9 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174 | -155.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P28 G217 | G26-P28 WeakPolarHBondContact O-CD 3.46Å; G26-G217 PolarHBondContact N-O 3.4Å; G26-G217 VanDerWaalsContact N-O 3.12Å; G26-G217 PolarHBondContact O-N 3.5Å |
| 27 | L | 94.2 | Very high | 84.7 | Confident | 33 Ų | 33 | 42.7 Ų | 42.7 | 17% | 0.173 | 25% | 0.246 | C | C | . | . | trans | -73.3 | 115.3 | 178.2 | -172.4 | 70.2 | 0 | 0 | 0 | 110.9 | P31 Y214 L219 A245 I247 Y285 V327 | L27-P31 HydrophobicContact CD1-CB 3.67Å; L27-P31 HydrophobicContact CG-CB 4.32Å; L27-Y214 HydrophobicContact CD1-CD2 3.49Å; L27-Y214 VanDerWaalsContact CD1-CD2 3.49Å; L27-Y214 HydrophobicContact CD1-CE2 4.31Å; L27-Y214 HydrophobicContact CD1-CG 3.64Å; L27-L219 WeakPolarHBondContact O-CD2 3.18Å; L27-A245 HydrophobicContact CB-CB 4.14Å; L27-A245 HydrophobicContact CD1-CB 4.05Å; L27-I247 HydrophobicContact CD2-CD1 4Å; L27-I247 HydrophobicContact CD2-CG1 4.13Å; L27-Y285 HydrophobicContact CD2-CE2 3.94Å; L27-V327 HydrophobicContact CB-CG2 3.78Å; L27-V327 HydrophobicContact CD2-CG2 4.17Å | ||
| 28 | P | 92 | Very high | 82.8 | Confident | 34 Ų | 34 | 41.5 Ų | 41.5 | 22% | 0.221 | 24% | 0.244 | C | C | . | . | trans | -71.7 | 165.3 | 177.4 | 30.4 | -33.3 | 0 | 0 | 0 | 111.7 | G26 N30 K215 | G26-P28 WeakPolarHBondContact O-CD 3.46Å; P28-N30 VanDerWaalsContact C-N 3.32Å; P28-N30 PolarHBondContact O-N 3.41Å; P28-K215 WeakPolarHBondContact CD-O 3.36Å | ||
| 29 | E | 85.1 | Confident | 80.7 | Confident | 166 Ų | 166 | 51.3 Ų | 51.3 | 78% | 0.776 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -63.2 | -35.4 | -178.8 | -68.5 | -171.6 | 155.9 | 0 | 0 | 113.9 | P31 | E29-P31 VanDerWaalsContact C-CD 3.46Å; E29-P31 WeakPolarHBondContact O-CD 3.21Å |
| 30 | N | 85.8 | Confident | 78.5 | Confident | 137 Ų | 137 | 58.1 Ų | 58.1 | 73% | 0.733 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -108.9 | 80.1 | 174.2 | -65.8 | -42.2 | 0 | 0 | 0 | 108.9 | P28 V32 | P28-N30 VanDerWaalsContact C-N 3.32Å; P28-N30 PolarHBondContact O-N 3.41Å; N30-V32 PolarHBondContact O-N 3.27Å |
| 31 | P | 85.5 | Confident | 76.5 | Confident | 50 Ų | 50 | 58.1 Ų | 58.1 | 33% | 0.325 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 126.5 | -172.5 | 32.2 | -37.4 | 0 | 0 | 0 | 110.8 | L27 E29 Y214 | L27-P31 HydrophobicContact CD1-CB 3.67Å; L27-P31 HydrophobicContact CG-CB 4.32Å; E29-P31 VanDerWaalsContact C-CD 3.46Å; E29-P31 WeakPolarHBondContact O-CD 3.21Å; P31-Y214 HydrophobicContact CB-CD1 3.55Å; P31-Y214 HydrophobicContact CB-CE1 3.99Å; P31-Y214 HydrophobicContact CB-CG 3.86Å; P31-Y214 HydrophobicContact CG-CD1 4.31Å; P31-Y214 HydrophobicContact CG-CE1 4.26Å |
| 32 | V | 85 | Confident | 74.5 | Confident | 90 Ų | 90 | 59.3 Ų | 59.3 | 55% | 0.545 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -93.1 | 117.6 | 170.2 | 179.8 | 0 | 0 | 0 | 0 | 106.8 | N30 L34 Y214 K215 | N30-V32 PolarHBondContact O-N 3.27Å; V32-L34 PolarHBondContact O-N 2.96Å; V32-Y214 CarbonylContact O-C 3.59Å; V32-Y214 WeakPolarHBondContact O-CA 3.21Å; V32-K215 HydrophobicContact CB-CB 4.47Å; V32-K215 PolarHBondContact O-N 3.35Å |
| 33 | E | 79.7 | Confident | 72.5 | Confident | 94 Ų | 94 | 65.7 Ų | 65.7 | 44% | 0.439 | 36% | 0.359 | S | S | . | . | B | Isolated β-bridge | trans | -57.7 | 133.5 | 177.2 | -165.9 | 172.1 | 177.1 | 0 | 0 | 109 | T35 I212 Y214 | E33-T35 PolarHBondContact O-N 3.45Å; E33-I212 HydrophobicContact CG-CG2 4.22Å; E33-Y214 VanDerWaalsContact CA-CD1 3.45Å; E33-Y214 HydrophobicContact CB-CD1 4.06Å; E33-Y214 HydrophobicContact CB-CE1 4.03Å; E33-Y214 HydrophobicContact CG-CD1 4.48Å; E33-Y214 HydrophobicContact CG-CE1 4.36Å |
| 34 | L | 73.1 | Confident | 70.7 | Confident | 30 Ų | 30 | 69 Ų | 69 | 16% | 0.157 | 37% | 0.371 | C | S | . | . | trans | -69.4 | 84.3 | 172.7 | -85.9 | 157.5 | 0 | 0 | 0 | 107.2 | V32 P36 A213 Y214 K215 D472 | V32-L34 PolarHBondContact O-N 2.96Å; L34-P36 WeakPolarHBondContact O-CD 3.33Å; L34-A213 HydrophobicContact CB-CB 4.26Å; L34-A213 WeakPolarHBondContact CB-O 3.4Å; L34-A213 HydrophobicContact CD1-CB 4.07Å; L34-A213 PolarHBondContact N-O 3.21Å; L34-Y214 WeakPolarHBondContact CD1-O 3.46Å; L34-Y214 VanDerWaalsContact CG-C 3.48Å; L34-K215 HydrophobicContact CG-CB 4.46Å; L34-D472 HydrophobicContact CD2-CB 4.06Å | ||
| 35 | T | 60.9 | Low | 68.6 | Low | 110 Ų | 110 | 76 Ų | 76 | 68% | 0.675 | 41% | 0.409 | S | S | * | . | trans | -63.8 | 119.6 | 150.9 | 26.5 | 0 | 0 | 0 | 0 | 105.4 | E33 G37 | E33-T35 PolarHBondContact O-N 3.45Å; T35-G37 PolarHBondContact O-N 3.36Å; T35-G37 VanDerWaalsContact O-N 3.11Å | ||
| 36 | P | 51.2 | Low | 66.5 | Low | 44 Ų | 44 | 81.3 Ų | 81.3 | 29% | 0.286 | 44% | 0.437 | S | S | . | . | trans | -50.9 | 129.9 | 171 | -22.3 | 32.4 | 0 | 0 | 0 | 107.1 | L34 A38 Y43 Y495 | L34-P36 WeakPolarHBondContact O-CD 3.33Å; P36-A38 HydrophobicContact CB-CB 3.82Å; P36-A38 PolarHBondContact O-N 3.46Å; P36-Y43 HydrophobicContact CG-CD2 4.31Å; P36-Y43 HydrophobicContact CG-CE2 4.42Å; P36-Y495 HydrophobicContact CB-CE1 3.66Å; P36-Y495 WeakPolarHBondContact CB-OH 3.18Å; P36-Y495 HydrophobicContact CG-CE1 3.94Å; P36-Y495 WeakPolarHBondContact CG-OH 3.46Å | ||
| 37 | G | 47.5 | Very low | 64.6 | Low | 61 Ų | 61 | 85.6 Ų | 85.6 | 63% | 0.629 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -60.4 | 14.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | T35 | T35-G37 PolarHBondContact O-N 3.36Å; T35-G37 VanDerWaalsContact O-N 3.11Å |
| 38 | A | 44.8 | Very low | 62.9 | Low | 13 Ų | 13 | 88.9 Ų | 88.9 | 11% | 0.107 | 49% | 0.493 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 43.7 | -164.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | P36 E40 C41 G42 Y495 | P36-A38 HydrophobicContact CB-CB 3.82Å; P36-A38 PolarHBondContact O-N 3.46Å; A38-E40 PolarHBondContact O-N 3.24Å; A38-E40 VanDerWaalsContact O-N 3.11Å; A38-C41 HydrophobicContact CB-CB 3.55Å; A38-C41 PolarHBondContact O-N 3.44Å; A38-G42 PolarHBondContact O-N 3.17Å; A38-Y495 HydrophobicContact CB-CD1 4.42Å; A38-Y495 HydrophobicContact CB-CE1 4.16Å |
| 39 | Q | 46.2 | Very low | 61.9 | Low | 205 Ų | 205 | 92.8 Ų | 92.8 | 96% | 0.958 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | -25.5 | 146.9 | -78.7 | -174 | -7.8 | 0 | 0 | 110 | ||
| 40 | E | 48.5 | Very low | 61.5 | Low | 144 Ų | 144 | 86 Ų | 86 | 67% | 0.673 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -36.7 | 174.2 | -59 | -174.2 | 170.5 | 0 | 0 | 116.1 | A38 | A38-E40 PolarHBondContact O-N 3.24Å; A38-E40 VanDerWaalsContact O-N 3.11Å |
| 41 | C | 50.2 | Low | 61.5 | Low | 0 Ų | 0 | 80.3 Ų | 80.3 | 0% | 0 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -8.6 | -174.4 | -41.2 | 0 | 0 | 0 | 0 | 114.5 | A38 H478 Y495 Q496 | A38-C41 HydrophobicContact CB-CB 3.55Å; A38-C41 PolarHBondContact O-N 3.44Å; C41-H478 PolarHBondContact SG-CD2 3.14Å; C41-H478 PolarHBondContact SG-NE2 3.35Å; C41-H478 VanDerWaalsContact SG-NE2 3.37Å; C41-Y495 HydrophobicContact CB-CD1 4.41Å; C41-Q496 VanDerWaalsContact O-CB 3.22Å; C41-Q496 WeakPolarHBondContact O-CB 3.21Å |
| 42 | G | 52.2 | Low | 61.9 | Low | 25 Ų | 25 | 78 Ų | 78 | 26% | 0.258 | 44% | 0.439 | S | S | . | . | trans | 64.8 | 111.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | A38 R44 Q496 | A38-G42 PolarHBondContact O-N 3.17Å; G42-R44 PolarHBondContact O-N 3.43Å; G42-Q496 PolarHBondContact O-N 3.5Å | ||
| 43 | Y | 54.3 | Low | 62.2 | Low | 134 Ų | 134 | 73.7 Ų | 73.7 | 53% | 0.525 | 41% | 0.413 | S | S | . | . | B | Isolated β-bridge | trans | -66.6 | 136 | 171.8 | -153.2 | -94.7 | 0 | 0 | 0 | 109.9 | P36 N45 Y495 | P36-Y43 HydrophobicContact CG-CD2 4.31Å; P36-Y43 HydrophobicContact CG-CE2 4.42Å; Y43-N45 PolarHBondContact O-N 3.49Å; Y43-N45 VanDerWaalsContact O-N 3.08Å; Y43-Y495 HydrophobicContact CD2-CE1 4.29Å |
| 44 | R | 60 | Low | 62.9 | Low | 70 Ų | 70 | 69.9 Ų | 69.9 | 26% | 0.264 | 40% | 0.396 | S | S | . | . | trans | -72.3 | 105.2 | 171.8 | -91.5 | -175.3 | 166.8 | 169.8 | 1.7 | 108.9 | G42 N46 F492 L494 Y495 D497 | G42-R44 PolarHBondContact O-N 3.43Å; R44-N46 PolarHBondContact O-N 3.38Å; R44-F492 PolarHBondContact NH1-O 2.71Å; R44-L494 PolarHBondContact N-O 2.97Å; R44-L494 VanDerWaalsContact N-O 3.14Å; R44-Y495 VanDerWaalsContact CD-O 3.28Å; R44-Y495 WeakPolarHBondContact CD-O 3.44Å; R44-Y495 WeakPolarHBondContact CG-O 3.31Å; R44-D497 IonicContact CZ-OD1 2.77Å; R44-D497 IonicContact NH1-OD1 3.7Å; R44-D497 IonicContact NH2-OD1 2.95Å; R44-D497 PolarHBondContact NH2-OD1 3.03Å; R44-D497 IonicContact NH2-OD2 2.68Å; R44-D497 PolarHBondContact NH2-OD2 2.99Å | ||
| 45 | N | 51.6 | Low | 64 | Low | 156 Ų | 156 | 69.1 Ų | 69.1 | 83% | 0.834 | 39% | 0.392 | S | S | * | . | trans | -74.3 | 32.3 | 169.2 | -84 | -4.6 | 0 | 0 | 0 | 112.8 | Y43 | Y43-N45 PolarHBondContact O-N 3.49Å; Y43-N45 VanDerWaalsContact O-N 3.08Å | ||
| 46 | N | 53.6 | Low | 65.6 | Low | 112 Ų | 112 | 64.4 Ų | 64.4 | 60% | 0.599 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -79.8 | 132.6 | 177.9 | -71.4 | -10.5 | 0 | 0 | 0 | 109 | R44 V48 | R44-N46 PolarHBondContact O-N 3.38Å; N46-V48 PolarHBondContact O-N 3.23Å; N46-V48 VanDerWaalsContact O-N 3.16Å |
| 47 | A | 55.1 | Low | 67.7 | Low | 89 Ų | 89 | 62.3 Ų | 62.3 | 74% | 0.736 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 123 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | L49 | A47-L49 PolarHBondContact O-N 2.8Å; A47-L49 VanDerWaalsContact O-N 3.11Å |
| 48 | V | 59.7 | Low | 70 | Confident | 102 Ų | 102 | 59.6 Ų | 59.6 | 62% | 0.618 | 32% | 0.321 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 117.5 | -176.6 | -164.2 | 0 | 0 | 0 | 0 | 108.8 | N46 N208 | N46-V48 PolarHBondContact O-N 3.23Å; N46-V48 VanDerWaalsContact O-N 3.16Å; V48-N208 WeakPolarHBondContact CB-ND2 3.39Å; V48-N208 WeakPolarHBondContact CG1-ND2 3.45Å; V48-N208 WeakPolarHBondContact CG1-OD1 3.48Å |
| 49 | L | 69.5 | Low | 72.3 | Confident | 117 Ų | 117 | 59.5 Ų | 59.5 | 61% | 0.613 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -71 | 133.1 | -175.9 | -65 | 173 | 0 | 0 | 0 | 110.1 | A47 | A47-L49 PolarHBondContact O-N 2.8Å; A47-L49 VanDerWaalsContact O-N 3.11Å |
| 50 | A | 77.6 | Confident | 74.3 | Confident | 23 Ų | 23 | 52 Ų | 52 | 19% | 0.19 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -58 | 146.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | R100 F102 | A50-R100 HydrophobicContact CB-CB 4.13Å; A50-R100 WeakPolarHBondContact O-CD 3.4Å; A50-R100 WeakPolarHBondContact O-CG 3.18Å; A50-R100 PolarHBondContact O-NH1 3Å; A50-F102 HydrophobicContact CB-CD2 4.27Å; A50-F102 HydrophobicContact CB-CE1 4.31Å; A50-F102 HydrophobicContact CB-CE2 3.61Å; A50-F102 HydrophobicContact CB-CZ 3.64Å |
| 51 | P | 86.2 | Confident | 76.1 | Confident | 17 Ų | 17 | 54 Ų | 54 | 11% | 0.11 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 158.3 | -178.6 | 30 | -35.8 | 0 | 0 | 0 | 111.2 | R100 G101 F102 P106 | P51-R100 VanDerWaalsContact O-CA 3.28Å; P51-R100 WeakPolarHBondContact O-CA 3.4Å; P51-G101 PolarHBondContact O-N 3Å; P51-G101 VanDerWaalsContact O-N 3.16Å; P51-F102 HydrophobicContact CG-CD1 4.32Å; P51-F102 HydrophobicContact CG-CE1 4.15Å; P51-P106 HydrophobicContact CB-CB 3.73Å; P51-P106 HydrophobicContact CG-CB 3.97Å |
| 52 | I | 92.5 | Very high | 77.9 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 126.2 | 175.7 | -62.7 | 178.1 | 0 | 0 | 0 | 108.9 | L55 Y98 R100 I107 V164 I167 | I52-L55 HydrophobicContact CG2-CD2 3.97Å; I52-Y98 HydrophobicContact CD1-CD2 3.71Å; I52-Y98 HydrophobicContact CD1-CE2 4.09Å; I52-Y98 HydrophobicContact CD1-CG 3.99Å; I52-Y98 HydrophobicContact CG1-CD2 3.86Å; I52-Y98 HydrophobicContact CG1-CE2 4.35Å; I52-Y98 HydrophobicContact CG1-CG 4.48Å; I52-Y98 HydrophobicContact CG2-CD2 4.37Å; I52-Y98 HydrophobicContact CG2-CG 4.45Å; I52-R100 HydrophobicContact CG1-CG 4.13Å; I52-I107 HydrophobicContact CG2-CD1 4.35Å; I52-I107 WeakPolarHBondContact O-CB 3.26Å; I52-I107 PolarHBondContact O-N 3.15Å; I52-V164 WeakPolarHBondContact CB-O 2.94Å; I52-V164 HydrophobicContact CD1-CG1 4.26Å; I52-V164 PolarHBondContact N-O 2.87Å; I52-I167 HydrophobicContact CD1-CD1 3.77Å; I52-I167 HydrophobicContact CD1-CG1 3.76Å; I52-I167 HydrophobicContact CG2-CD1 4.37Å |
| 53 | T | 91.8 | Very high | 79.5 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | -28.6 | -174.4 | 44.8 | 0 | 0 | 0 | 0 | 113.1 | R99 G101 H103 K104 R152 | T53-R99 PolarHBondContact N-O 3.42Å; T53-R99 PolarHBondContact OG1-O 3.26Å; T53-G101 WeakPolarHBondContact CG2-O 3.44Å; T53-H103 PolarHBondContact OG1-CE1 2.8Å; T53-K104 HydrophobicContact CG2-CB 4.43Å; T53-K104 WeakPolarHBondContact CG2-O 3.28Å; T53-R152 PolarHBondContact O-NH1 3.25Å; T53-R152 PolarHBondContact O-NH2 3.45Å |
| 54 | D | 94 | Very high | 81.3 | Confident | 15 Ų | 15 | 53.2 Ų | 53.2 | 8% | 0.08 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 147.2 | 179.6 | -58 | -69.7 | 0 | 0 | 0 | 110.5 | F70 Y98 R99 H103 K104 R152 | D54-F70 HydrophobicContact CB-CE1 3.87Å; D54-F70 HydrophobicContact CB-CZ 3.59Å; D54-Y98 CarbonylContact O-C 3.54Å; D54-Y98 VanDerWaalsContact O-CA 3.28Å; D54-Y98 WeakPolarHBondContact O-CA 3.15Å; D54-R99 HydrophobicContact CB-CB 4.22Å; D54-R99 PolarHBondContact N-O 3.36Å; D54-R99 PolarHBondContact O-N 2.84Å; D54-R99 IonicContact OD2-CZ 3.89Å; D54-R99 IonicContact OD2-NE 2.71Å; D54-R99 PolarHBondContact OD2-NE 3.2Å; D54-R99 VanDerWaalsContact OD2-NE 3.1Å; D54-R99 IonicContact OD2-NH2 3.48Å; D54-R99 PolarHBondContact OD2-NH2 3.09Å; D54-H103 IonicContact OD2-CE1 3.28Å; D54-H103 IonicContact OD2-NE2 3Å; D54-H103 PolarHBondContact OD2-NE2 3.43Å; D54-K104 WeakPolarHBondContact OD1-CD 3.49Å; D54-K104 IonicContact OD1-NZ 2.77Å; D54-K104 PolarHBondContact OD1-NZ 3.35Å; D54-K104 IonicContact OD2-NZ 2.73Å; D54-R152 IonicContact OD1-NH2 2.93Å |
| 55 | L | 96.2 | Very high | 82.8 | Confident | 14 Ų | 14 | 58.1 Ų | 58.1 | 7% | 0.073 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 142.3 | 175 | -62.9 | 176.7 | 0 | 0 | 0 | 109 | I52 C97 I107 I110 I128 F150 I167 | I52-L55 HydrophobicContact CG2-CD2 3.97Å; L55-C97 WeakPolarHBondContact CA-O 3.29Å; L55-I107 HydrophobicContact CD1-CD1 3.92Å; L55-I107 HydrophobicContact CD2-CD1 4.49Å; L55-I107 HydrophobicContact CG-CD1 3.62Å; L55-I110 HydrophobicContact CD1-CD1 3.83Å; L55-I110 HydrophobicContact CD1-CG1 4.03Å; L55-I128 HydrophobicContact CB-CD1 3.67Å; L55-F150 HydrophobicContact CB-CD1 4.44Å; L55-F150 HydrophobicContact CD1-CB 4.01Å; L55-F150 HydrophobicContact CD1-CD1 4.28Å; L55-F150 HydrophobicContact CD1-CG 4.35Å; L55-I167 HydrophobicContact CD2-CD1 3.39Å |
| 56 | C | 95.6 | Very high | 84.8 | Confident | 11 Ų | 11 | 53.8 Ų | 53.8 | 7% | 0.074 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 159.4 | 168.6 | 65.9 | 0 | 0 | 0 | 0 | 111.1 | F70 C97 P132 | C56-F70 HydrophobicContact CB-CE1 4.26Å; C56-F70 VanDerWaalsContact SG-CD1 3.55Å; C56-C97 PolarHBondContact N-O 3.27Å; C56-C97 PolarHBondContact O-N 2.92Å; C56-P132 HydrophobicContact CB-CG 3.87Å |
| 57 | V | 95.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 141.7 | 175 | 175.6 | 0 | 0 | 0 | 0 | 108.2 | C94 H95 L96 I128 T131 P132 A137 V139 I148 | V57-C94 WeakPolarHBondContact CG1-SG 3.26Å; V57-H95 WeakPolarHBondContact CA-O 3.49Å; V57-L96 HydrophobicContact CG2-CD1 4.22Å; V57-I128 HydrophobicContact CG2-CG2 4.42Å; V57-T131 WeakPolarHBondContact O-CB 3.41Å; V57-T131 VanDerWaalsContact O-CG2 3.32Å; V57-T131 WeakPolarHBondContact O-CG2 3.46Å; V57-P132 WeakPolarHBondContact O-CD 3.36Å; V57-A137 HydrophobicContact CB-CB 4.13Å; V57-V139 HydrophobicContact CG1-CG1 3.95Å; V57-V139 HydrophobicContact CG2-CG1 3.88Å; V57-I148 HydrophobicContact CG2-CD1 4.04Å |
| 58 | I | 94.6 | Very high | 88.2 | Confident | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.015 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 153 | 175.6 | 63.2 | 169.6 | 0 | 0 | 0 | 112.1 | P60 E64 V66 H95 C97 | I58-P60 HydrophobicContact CD1-CG 4.08Å; I58-P60 HydrophobicContact CG1-CG 4.22Å; I58-P60 WeakPolarHBondContact O-CD 3.21Å; I58-E64 WeakPolarHBondContact CA-OE2 3.4Å; I58-E64 HydrophobicContact CB-CB 4.3Å; I58-V66 HydrophobicContact CD1-CG2 3.82Å; I58-H95 HydrophobicContact CG1-CB 4.11Å; I58-H95 PolarHBondContact N-O 3.09Å; I58-H95 PolarHBondContact O-N 3.36Å; I58-C97 VanDerWaalsContact CD1-SG 3.53Å |
| 59 | F | 93.3 | Very high | 89.5 | Confident | 12 Ų | 12 | 52.6 Ų | 52.6 | 5% | 0.053 | 30% | 0.295 | C | S | . | . | trans | -115.3 | 85.6 | 172.3 | -61.4 | -78.7 | 0 | 0 | 0 | 111.1 | Y61 L62 E64 Q92 C94 T131 V136 | F59-Y61 VanDerWaalsContact C-N 3.27Å; F59-Y61 PolarHBondContact O-N 2.86Å; F59-Y61 VanDerWaalsContact O-N 3.15Å; F59-L62 HydrophobicContact CB-CB 4.22Å; F59-L62 HydrophobicContact CB-CD1 4.07Å; F59-L62 HydrophobicContact CB-CG 4.19Å; F59-L62 WeakPolarHBondContact O-CB 3.33Å; F59-L62 PolarHBondContact O-N 3.49Å; F59-E64 PolarHBondContact N-OE2 3.03Å; F59-Q92 HydrophobicContact CD1-CB 4.29Å; F59-C94 HydrophobicContact CD1-CB 3.95Å; F59-C94 HydrophobicContact CE1-CB 3.73Å; F59-T131 HydrophobicContact CD2-CG2 3.65Å; F59-T131 HydrophobicContact CE2-CG2 3.52Å; F59-V136 WeakPolarHBondContact CE2-O 3.1Å | ||
| 60 | P | 88.8 | Confident | 90.7 | Very high | 46 Ų | 46 | 48.9 Ų | 48.9 | 30% | 0.299 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -58.8 | -35 | -170.3 | -26.6 | 35.9 | 0 | 0 | 0 | 114.4 | I58 L62 G63 E64 C93 | I58-P60 HydrophobicContact CD1-CG 4.08Å; I58-P60 HydrophobicContact CG1-CG 4.22Å; I58-P60 WeakPolarHBondContact O-CD 3.21Å; P60-L62 PolarHBondContact O-N 3.33Å; P60-G63 PolarHBondContact O-N 2.94Å; P60-E64 WeakPolarHBondContact CA-O 3.26Å; P60-C93 WeakPolarHBondContact CD-O 3.1Å |
| 61 | Y | 86 | Confident | 91.5 | Very high | 188 Ų | 188 | 51.7 Ų | 51.7 | 74% | 0.737 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -69.7 | -12.6 | 179 | -75.2 | -98 | 0 | 0 | 0 | 113.9 | F59 G63 C93 | F59-Y61 VanDerWaalsContact C-N 3.27Å; F59-Y61 PolarHBondContact O-N 2.86Å; F59-Y61 VanDerWaalsContact O-N 3.15Å; Y61-G63 VanDerWaalsContact C-N 3.32Å; Y61-C93 HydrophobicContact CD2-CB 3.44Å; Y61-C93 VanDerWaalsContact CD2-CB 3.44Å; Y61-C93 HydrophobicContact CE2-CB 3.44Å; Y61-C93 VanDerWaalsContact CE2-CB 3.44Å |
| 62 | L | 87.7 | Confident | 91.9 | Very high | 63 Ų | 63 | 52.6 Ų | 52.6 | 33% | 0.33 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -95.1 | 15.3 | 170.7 | -65.7 | -173.4 | 0 | 0 | 0 | 112.8 | F59 P60 E64 Q92 R135 | F59-L62 HydrophobicContact CB-CB 4.22Å; F59-L62 HydrophobicContact CB-CD1 4.07Å; F59-L62 HydrophobicContact CB-CG 4.19Å; F59-L62 WeakPolarHBondContact O-CB 3.33Å; F59-L62 PolarHBondContact O-N 3.49Å; P60-L62 PolarHBondContact O-N 3.33Å; L62-E64 VanDerWaalsContact C-N 3.31Å; L62-E64 PolarHBondContact O-N 2.89Å; L62-Q92 HydrophobicContact CG-CG 4.46Å; L62-R135 VanDerWaalsContact CB-NH1 3.27Å; L62-R135 PolarHBondContact O-NH1 2.84Å; L62-R135 PolarHBondContact O-NH2 3.49Å |
| 63 | G | 87.1 | Confident | 92 | Very high | 66 Ų | 66 | 53.1 Ų | 53.1 | 68% | 0.68 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 20.9 | -179 | 0 | 0 | 0 | 0 | 0 | 114 | P60 Y61 | P60-G63 PolarHBondContact O-N 2.94Å; Y61-G63 VanDerWaalsContact C-N 3.32Å |
| 64 | E | 92.1 | Very high | 92.1 | Very high | 13 Ų | 13 | 55.6 Ų | 55.6 | 6% | 0.061 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 128.4 | 167.2 | -95.6 | 165.7 | -143.7 | 0 | 0 | 110.2 | I58 F59 P60 L62 T131 A133 R135 | I58-E64 WeakPolarHBondContact CA-OE2 3.4Å; I58-E64 HydrophobicContact CB-CB 4.3Å; F59-E64 PolarHBondContact N-OE2 3.03Å; P60-E64 WeakPolarHBondContact CA-O 3.26Å; L62-E64 VanDerWaalsContact C-N 3.31Å; L62-E64 PolarHBondContact O-N 2.89Å; E64-T131 PolarHBondContact OE1-OG1 2.81Å; E64-T131 WeakPolarHBondContact OE2-CB 3.42Å; E64-T131 PolarHBondContact OE2-OG1 3.42Å; E64-A133 HydrophobicContact CG-CB 3.57Å; E64-R135 WeakPolarHBondContact OE1-CD 3.4Å; E64-R135 WeakPolarHBondContact OE1-CG 3.44Å; E64-R135 IonicContact OE1-CZ 3.83Å; E64-R135 IonicContact OE1-NE 3.81Å; E64-R135 IonicContact OE1-NH1 3.84Å; E64-R135 PolarHBondContact OE1-NH1 2.62Å |
| 65 | E | 90.7 | Very high | 92.1 | Very high | 173 Ų | 173 | 59 Ų | 59 | 81% | 0.808 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -97.7 | 161.8 | 174.2 | -63.9 | -171.4 | 167.4 | 0 | 0 | 111.3 | P67 | E65-P67 WeakPolarHBondContact O-CD 3.4Š|
| 66 | V | 92.9 | Very high | 92 | Very high | 64 Ų | 64 | 58.7 Ų | 58.7 | 39% | 0.388 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 124.6 | 175.4 | -176.3 | 0 | 0 | 0 | 0 | 108.6 | I58 F70 C72 | I58-V66 HydrophobicContact CD1-CG2 3.82Å; V66-F70 HydrophobicContact CG1-CB 3.94Å; V66-F70 VanDerWaalsContact CG1-O 3.3Å; V66-F70 WeakPolarHBondContact CG1-O 3.19Å; V66-C72 HydrophobicContact CG1-CB 4.33Å; V66-C72 HydrophobicContact CG2-CB 3.68Å |
| 67 | P | 91.9 | Very high | 91.6 | Very high | 31 Ų | 31 | 61.9 Ų | 61.9 | 20% | 0.201 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 155.6 | -179.3 | -22.3 | 32.5 | 0 | 0 | 0 | 113 | E65 G69 F70 P132 | E65-P67 WeakPolarHBondContact O-CD 3.4Å; P67-G69 PolarHBondContact O-N 2.68Å; P67-F70 HydrophobicContact CB-CB 4.45Å; P67-F70 HydrophobicContact CB-CD2 3.72Å; P67-F70 HydrophobicContact CB-CE2 4.22Å; P67-F70 HydrophobicContact CB-CG 4.21Å; P67-F70 HydrophobicContact CG-CD2 4.37Å; P67-F70 HydrophobicContact CG-CG 4.47Å; P67-F70 WeakPolarHBondContact O-CB 3.34Å; P67-F70 PolarHBondContact O-N 2.8Å; P67-P132 HydrophobicContact CG-CB 3.96Å; P67-P132 HydrophobicContact CG-CG 3.56Å |
| 68 | E | 88.5 | Confident | 91.3 | Very high | 191 Ų | 191 | 65.2 Ų | 65.2 | 89% | 0.893 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 128.9 | -179.1 | -167.9 | 178.2 | 178.2 | 0 | 0 | 112.2 | F70 | E68-F70 VanDerWaalsContact C-N 3.25Å; E68-F70 PolarHBondContact O-N 2.8Å |
| 69 | G | 88.1 | Confident | 91.1 | Very high | 56 Ų | 56 | 67.6 Ų | 67.6 | 58% | 0.577 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | -2.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | P67 R99 | P67-G69 PolarHBondContact O-N 2.68Å; G69-R99 WeakPolarHBondContact O-CG 3.35Å |
| 70 | F | 94 | Very high | 91.1 | Very high | 40 Ų | 40 | 70.3 Ų | 70.3 | 18% | 0.175 | 42% | 0.417 | C | S | . | . | trans | -87.5 | 147.5 | 174.1 | -76.4 | -109.1 | 0 | 0 | 0 | 111.8 | D54 C56 V66 P67 E68 C97 Y98 R99 | D54-F70 HydrophobicContact CB-CE1 3.87Å; D54-F70 HydrophobicContact CB-CZ 3.59Å; C56-F70 HydrophobicContact CB-CE1 4.26Å; C56-F70 VanDerWaalsContact SG-CD1 3.55Å; V66-F70 HydrophobicContact CG1-CB 3.94Å; V66-F70 VanDerWaalsContact CG1-O 3.3Å; V66-F70 WeakPolarHBondContact CG1-O 3.19Å; P67-F70 HydrophobicContact CB-CB 4.45Å; P67-F70 HydrophobicContact CB-CD2 3.72Å; P67-F70 HydrophobicContact CB-CE2 4.22Å; P67-F70 HydrophobicContact CB-CG 4.21Å; P67-F70 HydrophobicContact CG-CD2 4.37Å; P67-F70 HydrophobicContact CG-CG 4.47Å; P67-F70 WeakPolarHBondContact O-CB 3.34Å; P67-F70 PolarHBondContact O-N 2.8Å; E68-F70 VanDerWaalsContact C-N 3.25Å; E68-F70 PolarHBondContact O-N 2.8Å; F70-C97 HydrophobicContact CB-CB 4.14Å; F70-C97 HydrophobicContact CD1-CB 4.11Å; F70-Y98 CarbonylContact C-O 3.59Å; F70-Y98 WeakPolarHBondContact CA-O 3.47Å; F70-R99 HydrophobicContact CD1-CB 3.92Å; F70-R99 HydrophobicContact CD2-CB 3.92Å; F70-R99 HydrophobicContact CE1-CB 3.91Å; F70-R99 HydrophobicContact CE2-CB 3.92Å; F70-R99 HydrophobicContact CG-CB 3.93Å; F70-R99 HydrophobicContact CZ-CB 3.92Å | ||
| 71 | I | 93.8 | Very high | 91.2 | Very high | 81 Ų | 81 | 71.5 Ų | 71.5 | 42% | 0.415 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 124.8 | 174.3 | -57.4 | 173.1 | 0 | 0 | 0 | 107.5 | C97 Y98 | I71-C97 CarbonylContact O-C 3.54Å; I71-C97 VanDerWaalsContact O-CA 3.22Å; I71-C97 WeakPolarHBondContact O-CA 3.22Å; I71-Y98 HydrophobicContact CB-CD2 4.46Å; I71-Y98 HydrophobicContact CB-CE1 4.26Å; I71-Y98 HydrophobicContact CB-CE2 4Å; I71-Y98 HydrophobicContact CD1-CE2 3.86Å; I71-Y98 HydrophobicContact CG1-CE2 4.39Å; I71-Y98 HydrophobicContact CG2-CE1 4.22Å; I71-Y98 HydrophobicContact CG2-CE2 4.49Å; I71-Y98 PolarHBondContact N-O 3.05Å; I71-Y98 PolarHBondContact O-N 3.22Å |
| 72 | C | 95.1 | Very high | 91.5 | Very high | 36 Ų | 36 | 62.6 Ų | 62.6 | 24% | 0.243 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 131 | 177.2 | -177.5 | 0 | 0 | 0 | 0 | 111.4 | V66 A74 | V66-C72 HydrophobicContact CG1-CB 4.33Å; V66-C72 HydrophobicContact CG2-CB 3.68Å; C72-A74 VanDerWaalsContact C-N 3.29Å; C72-A74 PolarHBondContact O-N 3.35Å |
| 73 | V | 95.2 | Very high | 91.8 | Very high | 13 Ų | 13 | 60.7 Ų | 60.7 | 8% | 0.079 | 38% | 0.38 | C | S | . | . | trans | -78.8 | 83.5 | 169.7 | -172.8 | 0 | 0 | 0 | 0 | 107.9 | A82 H95 L96 Y98 V169 | V73-A82 HydrophobicContact CG1-CB 4.09Å; V73-A82 WeakPolarHBondContact O-CB 3.44Å; V73-H95 PolarHBondContact O-ND1 2.62Å; V73-H95 VanDerWaalsContact O-ND1 3.14Å; V73-L96 PolarHBondContact N-O 3.34Å; V73-Y98 HydrophobicContact CG2-CD1 3.88Å; V73-Y98 HydrophobicContact CG2-CE1 3.86Å; V73-V169 HydrophobicContact CG1-CG2 4.11Å | ||
| 74 | A | 92.6 | Very high | 92 | Very high | 52 Ų | 52 | 57.5 Ų | 57.5 | 43% | 0.43 | 35% | 0.347 | S | S | . | . | trans | -83.3 | -31.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | C72 A82 | C72-A74 VanDerWaalsContact C-N 3.29Å; C72-A74 PolarHBondContact O-N 3.35Å; A74-A82 PolarHBondContact O-N 3.48Å | ||
| 75 | T | 94.9 | Very high | 91.9 | Very high | 87 Ų | 87 | 57.4 Ų | 57.4 | 53% | 0.534 | 35% | 0.347 | S | S | . | . | B | Isolated β-bridge | trans | -130 | 151.7 | -176.2 | 53.9 | 0 | 0 | 0 | 0 | 112.3 | H80 A82 | T75-H80 CarbonylContact C-O 3.59Å; T75-H80 WeakPolarHBondContact CA-O 3.23Å; T75-A82 VanDerWaalsContact C-CB 3.48Å |
| 76 | T | 94.4 | Very high | 91.7 | Very high | 6 Ų | 6 | 50.9 Ų | 50.9 | 4% | 0.037 | 32% | 0.316 | C | S | . | . | trans | -76.7 | 164.5 | 171.3 | 60.7 | 0 | 0 | 0 | 0 | 110.2 | S78 G79 H80 A82 V169 L171 E176 | T76-S78 PolarHBondContact O-N 3.31Å; T76-S78 VanDerWaalsContact O-N 3.14Å; T76-S78 PolarHBondContact OG1-OG 3.13Å; T76-G79 PolarHBondContact O-N 2.8Å; T76-G79 PolarHBondContact OG1-N 2.79Å; T76-H80 HydrophobicContact CG2-CB 4.16Å; T76-H80 WeakPolarHBondContact CG2-O 3.39Å; T76-H80 PolarHBondContact N-O 3.21Å; T76-H80 WeakPolarHBondContact OG1-CA 3.4Å; T76-H80 WeakPolarHBondContact OG1-CB 3.5Å; T76-H80 PolarHBondContact OG1-N 3.3Å; T76-H80 PolarHBondContact OG1-O 3.49Å; T76-A82 HydrophobicContact CG2-CB 4.2Å; T76-V169 WeakPolarHBondContact CA-O 3.44Å; T76-V169 WeakPolarHBondContact CB-O 3.48Å; T76-V169 WeakPolarHBondContact CG2-O 3.06Å; T76-L171 HydrophobicContact CG2-CD1 4.24Å; T76-L171 HydrophobicContact CG2-CG 4.01Å; T76-E176 VanDerWaalsContact CB-OE1 3.28Å; T76-E176 WeakPolarHBondContact CB-OE1 3.44Å; T76-E176 WeakPolarHBondContact CB-OE2 3.43Å; T76-E176 PolarHBondContact OG1-OE1 3.42Å | ||
| 77 | P | 87.8 | Confident | 91.4 | Very high | 78 Ų | 78 | 50 Ų | 50 | 51% | 0.506 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -27.6 | 175.8 | -27 | 35.4 | 0 | 0 | 0 | 114.8 | C168 V169 I170 P179 | P77-C168 HydrophobicContact CG-CB 4.22Å; P77-V169 WeakPolarHBondContact CD-O 3.44Å; P77-I170 HydrophobicContact CG-CG2 4.31Å; P77-P179 HydrophobicContact CB-CG 4.31Å; P77-P179 HydrophobicContact CG-CG 3.72Å |
| 78 | S | 87.9 | Confident | 91 | Very high | 70 Ų | 70 | 49.4 Ų | 49.4 | 49% | 0.49 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -2.8 | 174.5 | 69.8 | 0 | 0 | 0 | 0 | 114.7 | T76 H80 E176 | T76-S78 PolarHBondContact O-N 3.31Å; T76-S78 VanDerWaalsContact O-N 3.14Å; T76-S78 PolarHBondContact OG1-OG 3.13Å; S78-H80 PolarHBondContact OG-CD2 3.02Å; S78-E176 WeakPolarHBondContact CB-OE1 3.45Å; S78-E176 PolarHBondContact N-OE1 2.84Å; S78-E176 PolarHBondContact OG-OE1 2.87Å |
| 79 | G | 91.1 | Very high | 90.4 | Very high | 53 Ų | 53 | 45.9 Ų | 45.9 | 55% | 0.546 | 30% | 0.303 | S | S | . | . | S | Bend | trans | 92.8 | 3.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | T76 | T76-G79 PolarHBondContact O-N 2.8Å; T76-G79 PolarHBondContact OG1-N 2.79Å |
| 80 | H | 91.9 | Very high | 89.8 | Confident | 69 Ų | 69 | 55.1 Ų | 55.1 | 32% | 0.319 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -67.2 | 154.5 | 167.3 | -61.8 | -52.5 | 0 | 0 | 0 | 111.6 | T75 T76 S78 A82 L171 | T75-H80 CarbonylContact C-O 3.59Å; T75-H80 WeakPolarHBondContact CA-O 3.23Å; T76-H80 HydrophobicContact CG2-CB 4.16Å; T76-H80 WeakPolarHBondContact CG2-O 3.39Å; T76-H80 PolarHBondContact N-O 3.21Å; T76-H80 WeakPolarHBondContact OG1-CA 3.4Å; T76-H80 WeakPolarHBondContact OG1-CB 3.5Å; T76-H80 PolarHBondContact OG1-N 3.3Å; T76-H80 PolarHBondContact OG1-O 3.49Å; S78-H80 PolarHBondContact OG-CD2 3.02Å; H80-A82 PolarHBondContact O-N 3.42Å; H80-L171 HydrophobicContact CB-CD1 3.67Å |
| 81 | P | 91.7 | Very high | 89 | Confident | 72 Ų | 72 | 56.8 Ų | 56.8 | 47% | 0.468 | 33% | 0.329 | S | S | . | . | B | Isolated β-bridge | trans | -58.7 | 126.7 | 173.2 | -21.7 | 32.7 | 0 | 0 | 0 | 111.5 | D83 | P81-D83 PolarHBondContact O-N 3.28Å |
| 82 | A | 93 | Very high | 88.4 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | trans | -82.1 | 46.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V73 A74 T75 T76 H80 H95 V169 | V73-A82 HydrophobicContact CG1-CB 4.09Å; V73-A82 WeakPolarHBondContact O-CB 3.44Å; A74-A82 PolarHBondContact O-N 3.48Å; T75-A82 VanDerWaalsContact C-CB 3.48Å; T76-A82 HydrophobicContact CG2-CB 4.2Å; H80-A82 PolarHBondContact O-N 3.42Å; A82-H95 PolarHBondContact O-ND1 3.37Å; A82-H95 VanDerWaalsContact O-ND1 3.16Å; A82-V169 HydrophobicContact CB-CB 3.85Å; A82-V169 HydrophobicContact CB-CG1 4.35Å; A82-V169 HydrophobicContact CB-CG2 4.23Å | ||
| 83 | D | 92.6 | Very high | 87.9 | Confident | 23 Ų | 23 | 56.4 Ų | 56.4 | 12% | 0.123 | 32% | 0.323 | C | S | . | . | trans | -74.1 | 123.2 | 173.5 | 179.4 | 4.7 | 0 | 0 | 0 | 109.4 | P81 N85 H86 C93 C94 | P81-D83 PolarHBondContact O-N 3.28Å; D83-N85 PolarHBondContact O-N 2.81Å; D83-N85 PolarHBondContact OD1-N 3.11Å; D83-H86 HydrophobicContact CB-CB 4.13Å; D83-H86 WeakPolarHBondContact O-CB 3.33Å; D83-H86 PolarHBondContact O-N 2.88Å; D83-C93 WeakPolarHBondContact OD1-CA 3.16Å; D83-C93 WeakPolarHBondContact OD2-CA 3.45Å; D83-C93 WeakPolarHBondContact OD2-CB 3.48Å; D83-C94 PolarHBondContact OD1-N 3.46Å | ||
| 84 | L | 92 | Very high | 87.7 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -20.8 | 178.2 | -57.4 | -173.8 | 0 | 0 | 0 | 112.2 | C94 L96 V139 I148 V169 L189 V198 | L84-C94 HydrophobicContact CB-CB 4.15Å; L84-C94 WeakPolarHBondContact CG-O 3.31Å; L84-C94 PolarHBondContact N-O 3.06Å; L84-L96 HydrophobicContact CD1-CB 4.5Å; L84-V139 HydrophobicContact CD1-CB 4.06Å; L84-V139 HydrophobicContact CD1-CG1 3.77Å; L84-I148 HydrophobicContact CD1-CD1 4.18Å; L84-V169 HydrophobicContact CD2-CG1 4.19Å; L84-V169 HydrophobicContact CD2-CG2 3.76Å; L84-L189 HydrophobicContact CD2-CD1 3.84Å; L84-V198 HydrophobicContact CD2-CG1 4.44Å |
| 85 | N | 88.9 | Confident | 87.8 | Confident | 11 Ų | 11 | 54.3 Ų | 54.3 | 6% | 0.059 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 21.5 | 173.6 | -69.7 | -37.6 | 0 | 0 | 0 | 112.9 | D83 G87 S88 Q92 V139 | D83-N85 PolarHBondContact O-N 2.81Å; D83-N85 PolarHBondContact OD1-N 3.11Å; N85-G87 PolarHBondContact O-N 2.89Å; N85-S88 WeakPolarHBondContact O-CB 3.41Å; N85-S88 PolarHBondContact O-N 3.5Å; N85-S88 VanDerWaalsContact O-N 3.14Å; N85-S88 PolarHBondContact O-OG 3.49Å; N85-S88 VanDerWaalsContact O-OG 3.1Å; N85-Q92 PolarHBondContact ND2-O 3.37Å; N85-V139 PolarHBondContact OD1-O 3.16Å |
| 86 | H | 88.1 | Confident | 87.9 | Confident | 35 Ų | 35 | 50.2 Ų | 50.2 | 16% | 0.162 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | 131.5 | -173.4 | -178.6 | -73.9 | 0 | 0 | 0 | 112.7 | D83 S88 L171 N190 S196 V198 | D83-H86 HydrophobicContact CB-CB 4.13Å; D83-H86 WeakPolarHBondContact O-CB 3.33Å; D83-H86 PolarHBondContact O-N 2.88Å; H86-S88 VanDerWaalsContact C-N 3.29Å; H86-S88 PolarHBondContact O-N 3.22Å; H86-L171 HydrophobicContact CB-CD2 3.8Å; H86-N190 PolarHBondContact O-ND2 3.08Å; H86-S196 PolarHBondContact ND1-OG 2.98Å; H86-S196 WeakPolarHBondContact O-CB 3.49Å; H86-S196 PolarHBondContact O-N 3.11Å; H86-V198 HydrophobicContact CB-CG2 4.13Å |
| 87 | G | 84.9 | Confident | 88 | Confident | 45 Ų | 45 | 49.9 Ų | 49.9 | 46% | 0.464 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | -2.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | N85 | N85-G87 PolarHBondContact O-N 2.89Š|
| 88 | S | 83.9 | Confident | 88.4 | Confident | 19 Ų | 19 | 47.3 Ų | 47.3 | 13% | 0.133 | 26% | 0.257 | C | S | . | . | trans | -83.2 | 135 | 180 | -54.2 | 0 | 0 | 0 | 0 | 112.7 | N85 H86 Q91 N141 N190 V194 | N85-S88 WeakPolarHBondContact O-CB 3.41Å; N85-S88 PolarHBondContact O-N 3.5Å; N85-S88 VanDerWaalsContact O-N 3.14Å; N85-S88 PolarHBondContact O-OG 3.49Å; N85-S88 VanDerWaalsContact O-OG 3.1Å; H86-S88 VanDerWaalsContact C-N 3.29Å; H86-S88 PolarHBondContact O-N 3.22Å; S88-Q91 PolarHBondContact OG-OE1 3.23Å; S88-N141 PolarHBondContact OG-ND2 3.36Å; S88-N190 PolarHBondContact OG-ND2 3.43Å; S88-N190 PolarHBondContact OG-OD1 3.46Å; S88-V194 WeakPolarHBondContact CA-O 3.44Å; S88-V194 PolarHBondContact OG-O 2.87Å | ||
| 89 | I | 76.1 | Confident | 88.6 | Confident | 118 Ų | 118 | 47.2 Ų | 47.2 | 61% | 0.605 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | 129.9 | -174.6 | -60.7 | 172.7 | 0 | 0 | 0 | 110.2 | Q91 V194 | I89-Q91 VanDerWaalsContact C-N 3.31Å; I89-Q91 PolarHBondContact O-N 3.49Å; I89-V194 HydrophobicContact CD1-CB 4.42Å; I89-V194 HydrophobicContact CD1-CG1 3.86Å; I89-V194 HydrophobicContact CG1-CG1 4.15Å |
| 90 | R | 76.5 | Confident | 88.5 | Confident | 249 Ų | 249 | 46.9 Ų | 46.9 | 94% | 0.94 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 27.7 | 177.7 | -63.2 | 173.7 | -178.8 | -173.5 | 0.5 | 115.3 | ||
| 91 | Q | 77.2 | Confident | 88.1 | Confident | 75 Ų | 75 | 44.1 Ų | 44.1 | 35% | 0.35 | 22% | 0.219 | S | C | . | . | trans | -112.6 | 158.2 | 177.9 | -72 | 175.1 | -6 | 0 | 0 | 112.2 | S88 I89 N141 | S88-Q91 PolarHBondContact OG-OE1 3.23Å; I89-Q91 VanDerWaalsContact C-N 3.31Å; I89-Q91 PolarHBondContact O-N 3.49Å; Q91-N141 VanDerWaalsContact NE2-CB 3.26Å; Q91-N141 PolarHBondContact NE2-ND2 3.03Å; Q91-N141 PolarHBondContact NE2-O 2.94Å; Q91-N141 VanDerWaalsContact NE2-O 3.09Å; Q91-N141 VanDerWaalsContact OE1-CG 3.26Å; Q91-N141 PolarHBondContact OE1-ND2 2.94Å | ||
| 92 | Q | 80.6 | Confident | 87.4 | Confident | 94 Ų | 94 | 44.2 Ų | 44.2 | 44% | 0.439 | 21% | 0.212 | S | C | . | . | trans | -78.7 | 131.8 | -178.6 | -66.8 | 168.7 | 1.8 | 0 | 0 | 109.6 | F59 L62 N85 | F59-Q92 HydrophobicContact CD1-CB 4.29Å; L62-Q92 HydrophobicContact CG-CG 4.46Å; N85-Q92 PolarHBondContact ND2-O 3.37Å | ||
| 93 | C | 85.5 | Confident | 86.6 | Confident | 15 Ų | 15 | 45.3 Ų | 45.3 | 10% | 0.101 | 22% | 0.217 | C | C | . | . | trans | -67.4 | 135.2 | 173.8 | 152.5 | 0 | 0 | 0 | 0 | 109.9 | P60 Y61 D83 H95 | P60-C93 WeakPolarHBondContact CD-O 3.1Å; Y61-C93 HydrophobicContact CD2-CB 3.44Å; Y61-C93 VanDerWaalsContact CD2-CB 3.44Å; Y61-C93 HydrophobicContact CE2-CB 3.44Å; Y61-C93 VanDerWaalsContact CE2-CB 3.44Å; D83-C93 WeakPolarHBondContact OD1-CA 3.16Å; D83-C93 WeakPolarHBondContact OD2-CA 3.45Å; D83-C93 WeakPolarHBondContact OD2-CB 3.48Å; C93-H95 PolarHBondContact SG-CD2 3.46Å; C93-H95 PolarHBondContact SG-NE2 2.95Å | ||
| 94 | C | 91 | Very high | 86.1 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -131.7 | 126.4 | -166.6 | 177.5 | 0 | 0 | 0 | 0 | 109.1 | V57 F59 D83 L84 | V57-C94 WeakPolarHBondContact CG1-SG 3.26Å; F59-C94 HydrophobicContact CD1-CB 3.95Å; F59-C94 HydrophobicContact CE1-CB 3.73Å; D83-C94 PolarHBondContact OD1-N 3.46Å; L84-C94 HydrophobicContact CB-CB 4.15Å; L84-C94 WeakPolarHBondContact CG-O 3.31Å; L84-C94 PolarHBondContact N-O 3.06Å | ||
| 95 | H | 94.3 | Very high | 85.8 | Confident | 22 Ų | 22 | 48.9 Ų | 48.9 | 10% | 0.102 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 149.8 | -178.8 | -75.6 | -84.5 | 0 | 0 | 0 | 112.3 | V57 I58 V73 A82 C93 | V57-H95 WeakPolarHBondContact CA-O 3.49Å; I58-H95 HydrophobicContact CG1-CB 4.11Å; I58-H95 PolarHBondContact N-O 3.09Å; I58-H95 PolarHBondContact O-N 3.36Å; V73-H95 PolarHBondContact O-ND1 2.62Å; V73-H95 VanDerWaalsContact O-ND1 3.14Å; A82-H95 PolarHBondContact O-ND1 3.37Å; A82-H95 VanDerWaalsContact O-ND1 3.16Å; C93-H95 PolarHBondContact SG-CD2 3.46Å; C93-H95 PolarHBondContact SG-NE2 2.95Å |
| 96 | L | 95.7 | Very high | 85.8 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 136.4 | 171.7 | -175.1 | 69.2 | 0 | 0 | 0 | 109.8 | V57 V73 L84 I148 I167 L200 | V57-L96 HydrophobicContact CG2-CD1 4.22Å; V73-L96 PolarHBondContact N-O 3.34Å; L84-L96 HydrophobicContact CD1-CB 4.5Å; L96-I148 HydrophobicContact CD1-CD1 3.77Å; L96-I167 HydrophobicContact CD2-CG2 3.75Å; L96-L200 HydrophobicContact CD2-CD1 3.59Å; L96-L200 HydrophobicContact CD2-CD2 4.11Å |
| 97 | C | 96.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 146.9 | 172 | -57.7 | 0 | 0 | 0 | 0 | 110.3 | L55 C56 I58 F70 I71 | L55-C97 WeakPolarHBondContact CA-O 3.29Å; C56-C97 PolarHBondContact N-O 3.27Å; C56-C97 PolarHBondContact O-N 2.92Å; I58-C97 VanDerWaalsContact CD1-SG 3.53Å; F70-C97 HydrophobicContact CB-CB 4.14Å; F70-C97 HydrophobicContact CD1-CB 4.11Å; I71-C97 CarbonylContact O-C 3.54Å; I71-C97 VanDerWaalsContact O-CA 3.22Å; I71-C97 WeakPolarHBondContact O-CA 3.22Å |
| 98 | Y | 95.7 | Very high | 86.4 | Confident | 24 Ų | 24 | 46.4 Ų | 46.4 | 9% | 0.094 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 151.6 | 177.7 | 67.9 | -97.2 | 0 | 0 | 0 | 111.8 | I52 D54 F70 I71 V73 R100 | I52-Y98 HydrophobicContact CD1-CD2 3.71Å; I52-Y98 HydrophobicContact CD1-CE2 4.09Å; I52-Y98 HydrophobicContact CD1-CG 3.99Å; I52-Y98 HydrophobicContact CG1-CD2 3.86Å; I52-Y98 HydrophobicContact CG1-CE2 4.35Å; I52-Y98 HydrophobicContact CG1-CG 4.48Å; I52-Y98 HydrophobicContact CG2-CD2 4.37Å; I52-Y98 HydrophobicContact CG2-CG 4.45Å; D54-Y98 CarbonylContact O-C 3.54Å; D54-Y98 VanDerWaalsContact O-CA 3.28Å; D54-Y98 WeakPolarHBondContact O-CA 3.15Å; F70-Y98 CarbonylContact C-O 3.59Å; F70-Y98 WeakPolarHBondContact CA-O 3.47Å; I71-Y98 HydrophobicContact CB-CD2 4.46Å; I71-Y98 HydrophobicContact CB-CE1 4.26Å; I71-Y98 HydrophobicContact CB-CE2 4Å; I71-Y98 HydrophobicContact CD1-CE2 3.86Å; I71-Y98 HydrophobicContact CG1-CE2 4.39Å; I71-Y98 HydrophobicContact CG2-CE1 4.22Å; I71-Y98 HydrophobicContact CG2-CE2 4.49Å; I71-Y98 PolarHBondContact N-O 3.05Å; I71-Y98 PolarHBondContact O-N 3.22Å; V73-Y98 HydrophobicContact CG2-CD1 3.88Å; V73-Y98 HydrophobicContact CG2-CE1 3.86Å; Y98-R100 HydrophobicContact CD2-CG 4.32Å; Y98-R100 HydrophobicContact CE2-CG 4.18Å |
| 99 | R | 94 | Very high | 86.7 | Confident | 67 Ų | 67 | 47.3 Ų | 47.3 | 25% | 0.253 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 139.2 | 173.5 | -178.4 | 167.5 | 74 | 150.6 | -0.8 | 110.2 | T53 D54 G69 F70 H103 | T53-R99 PolarHBondContact N-O 3.42Å; T53-R99 PolarHBondContact OG1-O 3.26Å; D54-R99 HydrophobicContact CB-CB 4.22Å; D54-R99 PolarHBondContact N-O 3.36Å; D54-R99 PolarHBondContact O-N 2.84Å; D54-R99 IonicContact OD2-CZ 3.89Å; D54-R99 IonicContact OD2-NE 2.71Å; D54-R99 PolarHBondContact OD2-NE 3.2Å; D54-R99 VanDerWaalsContact OD2-NE 3.1Å; D54-R99 IonicContact OD2-NH2 3.48Å; D54-R99 PolarHBondContact OD2-NH2 3.09Å; G69-R99 WeakPolarHBondContact O-CG 3.35Å; F70-R99 HydrophobicContact CD1-CB 3.92Å; F70-R99 HydrophobicContact CD2-CB 3.92Å; F70-R99 HydrophobicContact CE1-CB 3.91Å; F70-R99 HydrophobicContact CE2-CB 3.92Å; F70-R99 HydrophobicContact CG-CB 3.93Å; F70-R99 HydrophobicContact CZ-CB 3.92Å; R99-H103 PolarHBondContact NH2-CD2 3.44Å; R99-H103 PolarHBondContact NH2-NE2 3.13Å |
| 100 | R | 88.2 | Confident | 87.6 | Confident | 46 Ų | 46 | 42 Ų | 42 | 17% | 0.174 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 149.9 | 172.7 | -64.1 | 177.6 | -178.4 | -78.5 | -4.2 | 110.1 | A50 P51 I52 Y98 S165 D166 | A50-R100 HydrophobicContact CB-CB 4.13Å; A50-R100 WeakPolarHBondContact O-CD 3.4Å; A50-R100 WeakPolarHBondContact O-CG 3.18Å; A50-R100 PolarHBondContact O-NH1 3Å; P51-R100 VanDerWaalsContact O-CA 3.28Å; P51-R100 WeakPolarHBondContact O-CA 3.4Å; I52-R100 HydrophobicContact CG1-CG 4.13Å; Y98-R100 HydrophobicContact CD2-CG 4.32Å; Y98-R100 HydrophobicContact CE2-CG 4.18Å; R100-S165 PolarHBondContact NH1-O 3.49Å; R100-S165 PolarHBondContact NH2-O 2.78Å; R100-D166 IonicContact NH2-OD1 3.37Å |
| 101 | G | 83.3 | Confident | 88.4 | Confident | 12 Ų | 12 | 31 Ų | 31 | 12% | 0.124 | 15% | 0.152 | C | C | . | . | trans | 168.1 | -179.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | P51 T53 | P51-G101 PolarHBondContact O-N 3Å; P51-G101 VanDerWaalsContact O-N 3.16Å; T53-G101 WeakPolarHBondContact CG2-O 3.44Å | ||
| 102 | F | 77 | Confident | 89 | Confident | 73 Ų | 73 | 28 Ų | 28 | 32% | 0.32 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -118.4 | 4.5 | 176.8 | -58.2 | -73.6 | 0 | 0 | 0 | 112.5 | A50 P51 K104 S315 N317 | A50-F102 HydrophobicContact CB-CD2 4.27Å; A50-F102 HydrophobicContact CB-CE1 4.31Å; A50-F102 HydrophobicContact CB-CE2 3.61Å; A50-F102 HydrophobicContact CB-CZ 3.64Å; P51-F102 HydrophobicContact CG-CD1 4.32Å; P51-F102 HydrophobicContact CG-CE1 4.15Å; F102-K104 PolarHBondContact O-N 2.91Å; F102-S315 WeakPolarHBondContact O-CA 3.31Å; F102-S315 WeakPolarHBondContact O-CB 3.5Å; F102-N317 HydrophobicContact CB-CB 4.42Å; F102-N317 VanDerWaalsContact CD1-ND2 3.32Å; F102-N317 WeakPolarHBondContact CD1-ND2 3.47Å |
| 103 | H | 76.4 | Confident | 89.4 | Confident | 23 Ų | 23 | 24.8 Ų | 24.8 | 11% | 0.106 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -69.2 | -17 | 179.3 | 60 | -73.3 | 0 | 0 | 0 | 113.7 | T53 D54 R99 | T53-H103 PolarHBondContact OG1-CE1 2.8Å; D54-H103 IonicContact OD2-CE1 3.28Å; D54-H103 IonicContact OD2-NE2 3Å; D54-H103 PolarHBondContact OD2-NE2 3.43Å; R99-H103 PolarHBondContact NH2-CD2 3.44Å; R99-H103 PolarHBondContact NH2-NE2 3.13Å |
| 104 | K | 82.8 | Confident | 89.4 | Confident | 84 Ų | 84 | 24.3 Ų | 24.3 | 37% | 0.365 | 12% | 0.121 | S | C | . | . | S | Bend | trans | -139.8 | 156.6 | 177.5 | -73.7 | 175 | -168.3 | 178.3 | 0 | 109.9 | T53 D54 F102 | T53-K104 HydrophobicContact CG2-CB 4.43Å; T53-K104 WeakPolarHBondContact CG2-O 3.28Å; D54-K104 WeakPolarHBondContact OD1-CD 3.49Å; D54-K104 IonicContact OD1-NZ 2.77Å; D54-K104 PolarHBondContact OD1-NZ 3.35Å; D54-K104 IonicContact OD2-NZ 2.73Å; F102-K104 PolarHBondContact O-N 2.91Å |
| 105 | P | 85.2 | Confident | 88.9 | Confident | 15 Ų | 15 | 29.4 Ų | 29.4 | 10% | 0.097 | 15% | 0.145 | C | C | . | . | P | Polyproline II helix | trans | -56.4 | 143.4 | 169.7 | -18.1 | 26.4 | 0 | 0 | 0 | 110.8 | R152 A153 E155 T316 | P105-R152 HydrophobicContact CB-CG 3.92Å; P105-R152 WeakPolarHBondContact O-CD 3.28Å; P105-R152 VanDerWaalsContact O-CG 3.29Å; P105-R152 WeakPolarHBondContact O-CG 3.41Å; P105-R152 PolarHBondContact O-NH1 2.97Å; P105-A153 HydrophobicContact CB-CB 4.14Å; P105-A153 WeakPolarHBondContact CB-O 3.31Å; P105-E155 HydrophobicContact CG-CG 4.1Å; P105-T316 HydrophobicContact CG-CG2 3.92Å |
| 106 | P | 89.5 | Confident | 87.8 | Confident | 21 Ų | 21 | 32.3 Ų | 32.3 | 14% | 0.136 | 18% | 0.181 | C | C | . | . | P | Polyproline II helix | trans | -69.3 | 157.2 | -173.7 | 29.3 | -37.1 | 0 | 0 | 0 | 112.7 | P51 A153 | P51-P106 HydrophobicContact CB-CB 3.73Å; P51-P106 HydrophobicContact CG-CB 3.97Å; P106-A153 HydrophobicContact CG-CB 4.08Å; P106-A153 PolarHBondContact O-N 3.26Å |
| 107 | I | 93.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 133.5 | 168.9 | -64.8 | 179.6 | 0 | 0 | 0 | 108.4 | I52 L55 D109 I110 F150 R151 S163 V164 | I52-I107 HydrophobicContact CG2-CD1 4.35Å; I52-I107 WeakPolarHBondContact O-CB 3.26Å; I52-I107 PolarHBondContact O-N 3.15Å; L55-I107 HydrophobicContact CD1-CD1 3.92Å; L55-I107 HydrophobicContact CD2-CD1 4.49Å; L55-I107 HydrophobicContact CG-CD1 3.62Å; I107-D109 WeakPolarHBondContact CG2-O 3.48Å; I107-I110 HydrophobicContact CG2-CG1 4.2Å; I107-F150 HydrophobicContact CD1-CB 4.29Å; I107-F150 HydrophobicContact CD1-CD2 3.8Å; I107-F150 HydrophobicContact CD1-CE2 4.3Å; I107-F150 HydrophobicContact CD1-CG 4Å; I107-F150 HydrophobicContact CG1-CD2 3.91Å; I107-F150 HydrophobicContact CG1-CE2 4.45Å; I107-F150 HydrophobicContact CG1-CG 4.49Å; I107-F150 HydrophobicContact CG2-CB 3.95Å; I107-R151 CarbonylContact C-O 3.53Å; I107-R151 WeakPolarHBondContact CA-O 3.15Å; I107-S163 CarbonylContact O-C 3.55Å; I107-S163 WeakPolarHBondContact O-CA 3.37Å; I107-V164 HydrophobicContact CB-CG2 4.48Å; I107-V164 HydrophobicContact CG2-CB 4.36Å; I107-V164 HydrophobicContact CG2-CG2 3.89Å; I107-V164 WeakPolarHBondContact O-CG2 3.46Å; I107-V164 PolarHBondContact O-N 3.36Å |
| 108 | V | 90.9 | Very high | 85.2 | Confident | 18 Ų | 18 | 42.7 Ų | 42.7 | 11% | 0.109 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | -18.7 | -176.5 | -62.3 | 0 | 0 | 0 | 0 | 112.9 | R151 A153 L161 K204 | V108-R151 HydrophobicContact CG2-CB 3.9Å; V108-R151 WeakPolarHBondContact CG2-O 3.27Å; V108-R151 PolarHBondContact N-O 3.38Å; V108-A153 HydrophobicContact CG1-CB 3.71Å; V108-L161 HydrophobicContact CG1-CD2 3.6Å; V108-L161 HydrophobicContact CG1-CG 4.22Å; V108-K204 WeakPolarHBondContact O-CE 3.47Å; V108-K204 PolarHBondContact O-NZ 2.87Å |
| 109 | D | 91.7 | Very high | 83.9 | Confident | 37 Ų | 37 | 46.1 Ų | 46.1 | 20% | 0.198 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 152 | 178.7 | -137.6 | 4 | 0 | 0 | 0 | 112.3 | I107 F150 R151 Y202 K204 | I107-D109 WeakPolarHBondContact CG2-O 3.48Å; D109-F150 CarbonylContact O-C 3.56Å; D109-F150 VanDerWaalsContact O-CA 3.25Å; D109-F150 WeakPolarHBondContact O-CA 3.46Å; D109-R151 HydrophobicContact CB-CB 4.15Å; D109-R151 PolarHBondContact O-N 3.14Å; D109-Y202 PolarHBondContact OD1-OH 3.01Å; D109-K204 VanDerWaalsContact CG-NZ 3.32Å; D109-K204 WeakPolarHBondContact OD1-CE 3.24Å; D109-K204 IonicContact OD1-NZ 2.83Å; D109-K204 PolarHBondContact OD1-NZ 3.35Å; D109-K204 IonicContact OD2-NZ 3.57Å |
| 110 | I | 94.9 | Very high | 82.8 | Confident | 7 Ų | 7 | 53.6 Ų | 53.6 | 4% | 0.036 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 136.5 | 175 | -56.3 | 177.3 | 0 | 0 | 0 | 108.1 | L55 I107 I148 T149 V164 I167 I185 L200 Y202 | L55-I110 HydrophobicContact CD1-CD1 3.83Å; L55-I110 HydrophobicContact CD1-CG1 4.03Å; I107-I110 HydrophobicContact CG2-CG1 4.2Å; I110-I148 HydrophobicContact CG2-CG2 4.05Å; I110-T149 CarbonylContact C-O 3.54Å; I110-T149 WeakPolarHBondContact CA-O 3.39Å; I110-V164 HydrophobicContact CD1-CG1 4.04Å; I110-V164 HydrophobicContact CD1-CG2 4.49Å; I110-V164 HydrophobicContact CG1-CG2 4.31Å; I110-I167 HydrophobicContact CD1-CD1 3.51Å; I110-I167 HydrophobicContact CD1-CG1 3.93Å; I110-I185 HydrophobicContact CB-CD1 4.13Å; I110-I185 HydrophobicContact CG2-CD1 3.79Å; I110-I185 WeakPolarHBondContact O-CD1 3.37Å; I110-L200 HydrophobicContact CG2-CD2 3.72Å; I110-Y202 HydrophobicContact CB-CD1 4.28Å; I110-Y202 HydrophobicContact CB-CE1 4.3Å; I110-Y202 HydrophobicContact CB-CE2 4.47Å; I110-Y202 HydrophobicContact CB-CG 4.43Å; I110-Y202 HydrophobicContact CD1-CD2 4.34Å; I110-Y202 HydrophobicContact CD1-CG 4.12Å; I110-Y202 HydrophobicContact CG1-CD2 4.37Å; I110-Y202 HydrophobicContact CG1-CG 4.45Å |
| 111 | G | 92.3 | Very high | 82 | Confident | 19 Ų | 19 | 54.5 Ų | 54.5 | 20% | 0.196 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 177.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T149 | G111-T149 VanDerWaalsContact C-OG1 3.26Å; G111-T149 WeakPolarHBondContact CA-OG1 3.4Å; G111-T149 PolarHBondContact N-O 3.38Å; G111-T149 PolarHBondContact O-N 2.9Å; G111-T149 PolarHBondContact O-OG1 3.42Å |
| 112 | V | 90.8 | Very high | 81.3 | Confident | 10 Ų | 10 | 61.8 Ų | 61.8 | 6% | 0.061 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 123 | 177.4 | 171.1 | 0 | 0 | 0 | 0 | 107.7 | L146 F147 I185 K187 L189 | V112-L146 HydrophobicContact CG1-CD1 4.17Å; V112-L146 HydrophobicContact CG1-CD2 3.45Å; V112-L146 VanDerWaalsContact CG1-CD2 3.45Å; V112-L146 HydrophobicContact CG1-CG 3.7Å; V112-F147 WeakPolarHBondContact CA-O 3.32Å; V112-I185 HydrophobicContact CB-CG2 4.28Å; V112-I185 HydrophobicContact CG2-CD1 4.34Å; V112-I185 HydrophobicContact CG2-CG2 3.88Å; V112-K187 HydrophobicContact CB-CB 4.4Å; V112-K187 HydrophobicContact CB-CD 4.01Å; V112-K187 HydrophobicContact CG1-CB 4.25Å; V112-K187 HydrophobicContact CG1-CD 4Å; V112-K187 PolarHBondContact O-NZ 2.87Å; V112-L189 HydrophobicContact CB-CD2 4.47Å; V112-L189 HydrophobicContact CG1-CD2 3.99Å; V112-L189 HydrophobicContact CG2-CD2 3.61Å |
| 113 | L | 88.1 | Confident | 81.3 | Confident | 28 Ų | 28 | 64 Ų | 64 | 15% | 0.147 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 131.4 | 179.2 | -179 | 67 | 0 | 0 | 0 | 109.5 | P121 V127 L146 F147 T149 | L113-P121 HydrophobicContact CD2-CB 4.44Å; L113-P121 HydrophobicContact CD2-CG 4.32Å; L113-V127 HydrophobicContact CD2-CG1 4.38Å; L113-V127 HydrophobicContact CD2-CG2 4.08Å; L113-L146 WeakPolarHBondContact O-CA 3.29Å; L113-F147 PolarHBondContact N-O 3.49Å; L113-F147 PolarHBondContact O-N 3.17Å; L113-T149 HydrophobicContact CB-CG2 3.7Å |
| 114 | C | 84.8 | Confident | 81.5 | Confident | 5 Ų | 5 | 66.6 Ų | 66.6 | 3% | 0.034 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 118.7 | 174.5 | -58.3 | 0 | 0 | 0 | 0 | 109.5 | S117 L146 R191 | C114-S117 PolarHBondContact O-N 3.44Å; C114-S117 PolarHBondContact O-OG 3.06Å; C114-L146 WeakPolarHBondContact SG-CD1 3.1Å; C114-R191 PolarHBondContact SG-NH2 3.42Å |
| 115 | E | 81 | Confident | 81.8 | Confident | 106 Ų | 106 | 63.7 Ų | 63.7 | 50% | 0.495 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 136.5 | 172 | -70 | -171.9 | 154.9 | 0 | 0 | 110.4 | S117 G145 F147 | E115-S117 VanDerWaalsContact C-N 3.35Å; E115-G145 WeakPolarHBondContact CB-O 3.28Å; E115-G145 PolarHBondContact N-O 3.11Å; E115-G145 WeakPolarHBondContact OE2-CA 3.41Å; E115-F147 HydrophobicContact CG-CD2 4.23Å; E115-F147 HydrophobicContact CG-CE2 3.95Å; E115-F147 WeakPolarHBondContact OE1-CE2 3.45Å |
| 116 | G | 71.1 | Confident | 82.2 | Confident | 83 Ų | 83 | 66.3 Ų | 66.3 | 86% | 0.856 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.6 | -10.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 117 | S | 69.5 | Low | 82.3 | Confident | 45 Ų | 45 | 67 Ų | 67 | 32% | 0.315 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -83.4 | 149.5 | 167.3 | 71.2 | 0 | 0 | 0 | 0 | 111 | C114 E115 E119 | C114-S117 PolarHBondContact O-N 3.44Å; C114-S117 PolarHBondContact O-OG 3.06Å; E115-S117 VanDerWaalsContact C-N 3.35Å; S117-E119 PolarHBondContact O-N 3.31Å; S117-E119 WeakPolarHBondContact OG-CB 3.47Å |
| 118 | D | 67.9 | Low | 82.3 | Confident | 174 Ų | 174 | 67.6 Ų | 67.6 | 93% | 0.93 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -65.8 | 9.7 | 173.1 | -75.1 | -36.6 | 0 | 0 | 0 | 113.5 | R120 | D118-R120 PolarHBondContact O-N 3.38Š|
| 119 | E | 70.1 | Confident | 82.3 | Confident | 96 Ų | 96 | 72.6 Ų | 72.6 | 45% | 0.449 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -80.8 | 116.1 | -178.9 | -60.2 | -177 | 156.7 | 0 | 0 | 110.6 | S117 K187 | S117-E119 PolarHBondContact O-N 3.31Å; S117-E119 WeakPolarHBondContact OG-CB 3.47Å; E119-K187 VanDerWaalsContact CD-NZ 3.34Å; E119-K187 IonicContact OE1-NZ 2.69Å; E119-K187 PolarHBondContact OE1-NZ 3.3Å; E119-K187 IonicContact OE2-NZ 3.94Å; E119-K187 PolarHBondContact OE2-NZ 3.33Å |
| 120 | R | 71.1 | Confident | 82.4 | Confident | 224 Ų | 224 | 74.8 Ų | 74.8 | 85% | 0.845 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -88.1 | 135.6 | 170.6 | -64.9 | -178.1 | -176.3 | -179.2 | 0.2 | 110 | D118 | D118-R120 PolarHBondContact O-N 3.38Š|
| 121 | P | 70.9 | Confident | 82.3 | Confident | 65 Ų | 65 | 74.7 Ų | 74.7 | 42% | 0.422 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 151.7 | 168.8 | 25.1 | -31.4 | 0 | 0 | 0 | 109.9 | L113 S125 | L113-P121 HydrophobicContact CD2-CB 4.44Å; L113-P121 HydrophobicContact CD2-CG 4.32Å; P121-S125 WeakPolarHBondContact CB-OG 2.99Å |
| 122 | W | 69 | Low | 82.2 | Confident | 165 Ų | 165 | 77.5 Ų | 77.5 | 63% | 0.625 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -66 | 148 | 176 | -68.7 | 25.3 | 0 | 0 | 0 | 109.1 | D124 S125 R151 | W122-D124 PolarHBondContact O-N 3.49Å; W122-S125 PolarHBondContact N-OG 2.99Å; W122-S125 VanDerWaalsContact N-OG 3.13Å; W122-S125 WeakPolarHBondContact O-CB 3.4Å; W122-S125 PolarHBondContact O-N 3.37Å; W122-S125 PolarHBondContact O-OG 3.48Å; W122-R151 VanDerWaalsContact CE3-CZ 3.42Å |
| 123 | A | 75.8 | Confident | 82.1 | Confident | 118 Ų | 118 | 80.2 Ų | 80.2 | 98% | 0.975 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -26.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 124 | D | 81.4 | Confident | 82.2 | Confident | 79 Ų | 79 | 81.6 Ų | 81.6 | 42% | 0.422 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 12.4 | 179.5 | 66.2 | -25.2 | 0 | 0 | 0 | 113.4 | W122 R151 | W122-D124 PolarHBondContact O-N 3.49Å; D124-R151 IonicContact OD1-CZ 2.88Å; D124-R151 IonicContact OD1-NE 3.28Å; D124-R151 PolarHBondContact OD1-NE 3.09Å; D124-R151 IonicContact OD1-NH2 2.59Å; D124-R151 IonicContact OD2-CZ 2.78Å; D124-R151 IonicContact OD2-NE 3.86Å; D124-R151 PolarHBondContact OD2-NE 2.88Å; D124-R151 IonicContact OD2-NH2 3.85Å; D124-R151 PolarHBondContact OD2-NH2 3.35Å |
| 125 | S | 89 | Confident | 82.4 | Confident | 22 Ų | 22 | 85.8 Ų | 85.8 | 15% | 0.154 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 137.7 | 179.1 | 67.3 | 0 | 0 | 0 | 0 | 112.3 | P121 W122 F150 | P121-S125 WeakPolarHBondContact CB-OG 2.99Å; W122-S125 PolarHBondContact N-OG 2.99Å; W122-S125 VanDerWaalsContact N-OG 3.13Å; W122-S125 WeakPolarHBondContact O-CB 3.4Å; W122-S125 PolarHBondContact O-N 3.37Å; W122-S125 PolarHBondContact O-OG 3.48Å; S125-F150 CarbonylContact C-O 3.54Å; S125-F150 WeakPolarHBondContact CA-O 3.16Å |
| 126 | T | 92.5 | Very high | 82.8 | Confident | 70 Ų | 70 | 85.3 Ų | 85.3 | 43% | 0.429 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 132.7 | 171.6 | -54 | 0 | 0 | 0 | 0 | 109.3 | T149 F150 | T126-T149 CarbonylContact O-C 3.56Å; T126-T149 WeakPolarHBondContact O-CA 3.38Å; T126-F150 HydrophobicContact CG2-CE1 3.94Å; T126-F150 HydrophobicContact CG2-CE2 4.39Å; T126-F150 HydrophobicContact CG2-CZ 3.7Å; T126-F150 PolarHBondContact N-O 3.09Å; T126-F150 PolarHBondContact O-N 2.72Å |
| 127 | V | 92.2 | Very high | 83.8 | Confident | 36 Ų | 36 | 81.4 Ų | 81.4 | 22% | 0.218 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 127.9 | 175.6 | -173.2 | 0 | 0 | 0 | 0 | 108.9 | L113 Q129 F147 T149 | L113-V127 HydrophobicContact CD2-CG1 4.38Å; L113-V127 HydrophobicContact CD2-CG2 4.08Å; V127-Q129 HydrophobicContact CB-CG 4.13Å; V127-Q129 HydrophobicContact CG1-CG 3.81Å; V127-Q129 PolarHBondContact O-N 2.9Å; V127-F147 HydrophobicContact CG1-CB 3.65Å; V127-F147 HydrophobicContact CG1-CG 4.25Å; V127-T149 HydrophobicContact CB-CG2 4.29Å; V127-T149 HydrophobicContact CG1-CG2 4.2Å; V127-T149 HydrophobicContact CG2-CG2 3.87Å |
| 128 | I | 93.9 | Very high | 84.8 | Confident | 12 Ų | 12 | 81.2 Ų | 81.2 | 6% | 0.062 | 45% | 0.45 | C | S | . | . | trans | -79.9 | 88.1 | 173 | -54.4 | 175.4 | 0 | 0 | 0 | 107.6 | L55 V57 A137 F147 I148 F150 | L55-I128 HydrophobicContact CB-CD1 3.67Å; V57-I128 HydrophobicContact CG2-CG2 4.42Å; I128-A137 HydrophobicContact CG2-CB 4.04Å; I128-F147 WeakPolarHBondContact O-CD1 3.27Å; I128-I148 HydrophobicContact CD1-CB 4.19Å; I128-I148 HydrophobicContact CD1-CG2 4.03Å; I128-I148 PolarHBondContact N-O 3.11Å; I128-F150 HydrophobicContact CD1-CD1 4.11Å; I128-F150 HydrophobicContact CD1-CE1 4.28Å; I128-F150 HydrophobicContact CG1-CD1 4Å; I128-F150 HydrophobicContact CG1-CE1 3.89Å | ||
| 129 | Q | 90.6 | Very high | 85.7 | Confident | 124 Ų | 124 | 72.9 Ų | 72.9 | 58% | 0.579 | 41% | 0.406 | S | S | * | . | trans | -84.4 | -28.8 | -177.6 | -68.7 | -175.3 | -22.9 | 0 | 0 | 113.3 | V127 A137 | V127-Q129 HydrophobicContact CB-CG 4.13Å; V127-Q129 HydrophobicContact CG1-CG 3.81Å; V127-Q129 PolarHBondContact O-N 2.9Å; Q129-A137 PolarHBondContact O-N 2.99Å | ||
| 130 | T | 93.2 | Very high | 86.3 | Confident | 83 Ų | 83 | 68.8 Ų | 68.8 | 51% | 0.509 | 39% | 0.387 | S | S | . | . | B | Isolated β-bridge | trans | -131.7 | 149.2 | -176.4 | 57.1 | 0 | 0 | 0 | 0 | 112.7 | R135 | T130-R135 CarbonylContact C-O 3.57Å; T130-R135 WeakPolarHBondContact CA-O 3.36Å; T130-R135 WeakPolarHBondContact CB-O 3.25Å |
| 131 | T | 93.8 | Very high | 86.5 | Confident | 4 Ų | 4 | 59.2 Ų | 59.2 | 3% | 0.025 | 35% | 0.352 | C | S | . | . | trans | -71.7 | 163.3 | 169.9 | 72.1 | 0 | 0 | 0 | 0 | 110.1 | V57 F59 E64 A133 G134 R135 A137 | V57-T131 WeakPolarHBondContact O-CB 3.41Å; V57-T131 VanDerWaalsContact O-CG2 3.32Å; V57-T131 WeakPolarHBondContact O-CG2 3.46Å; F59-T131 HydrophobicContact CD2-CG2 3.65Å; F59-T131 HydrophobicContact CE2-CG2 3.52Å; E64-T131 PolarHBondContact OE1-OG1 2.81Å; E64-T131 WeakPolarHBondContact OE2-CB 3.42Å; E64-T131 PolarHBondContact OE2-OG1 3.42Å; T131-A133 PolarHBondContact O-N 3.16Å; T131-A133 VanDerWaalsContact O-N 3.13Å; T131-A133 PolarHBondContact OG1-N 3.39Å; T131-G134 WeakPolarHBondContact O-CA 3.25Å; T131-G134 PolarHBondContact O-N 2.9Å; T131-R135 HydrophobicContact CG2-CB 4.19Å; T131-R135 PolarHBondContact N-O 2.85Å; T131-R135 WeakPolarHBondContact OG1-CB 3.42Å; T131-R135 PolarHBondContact OG1-N 3.15Å; T131-R135 VanDerWaalsContact OG1-N 3.14Å; T131-A137 HydrophobicContact CG2-CB 4.16Å | ||
| 132 | P | 90.1 | Very high | 86.6 | Confident | 79 Ų | 79 | 58.2 Ų | 58.2 | 51% | 0.513 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -26 | 173.6 | -26.6 | 36 | 0 | 0 | 0 | 114 | C56 V57 P67 G134 | C56-P132 HydrophobicContact CB-CG 3.87Å; V57-P132 WeakPolarHBondContact O-CD 3.36Å; P67-P132 HydrophobicContact CG-CB 3.96Å; P67-P132 HydrophobicContact CG-CG 3.56Å; P132-G134 VanDerWaalsContact C-N 3.31Å |
| 133 | A | 89.3 | Confident | 86.8 | Confident | 67 Ų | 67 | 60.7 Ų | 60.7 | 55% | 0.554 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | 7.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | E64 T131 | E64-A133 HydrophobicContact CG-CB 3.57Å; T131-A133 PolarHBondContact O-N 3.16Å; T131-A133 VanDerWaalsContact O-N 3.13Å; T131-A133 PolarHBondContact OG1-N 3.39Å |
| 134 | G | 88.8 | Confident | 87 | Confident | 56 Ų | 56 | 59.9 Ų | 59.9 | 58% | 0.577 | 34% | 0.341 | S | S | * | . | S | Bend | trans | 82.5 | 9.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | T131 P132 | T131-G134 WeakPolarHBondContact O-CA 3.25Å; T131-G134 PolarHBondContact O-N 2.9Å; P132-G134 VanDerWaalsContact C-N 3.31Å |
| 135 | R | 89.4 | Confident | 87.1 | Confident | 93 Ų | 93 | 56.3 Ų | 56.3 | 35% | 0.351 | 32% | 0.322 | S | S | . | . | trans | -79.8 | 159 | 175.7 | -57.2 | -169.6 | -178 | 119.1 | -6.5 | 110.6 | L62 E64 T130 T131 A137 | L62-R135 VanDerWaalsContact CB-NH1 3.27Å; L62-R135 PolarHBondContact O-NH1 2.84Å; L62-R135 PolarHBondContact O-NH2 3.49Å; E64-R135 WeakPolarHBondContact OE1-CD 3.4Å; E64-R135 WeakPolarHBondContact OE1-CG 3.44Å; E64-R135 IonicContact OE1-CZ 3.83Å; E64-R135 IonicContact OE1-NE 3.81Å; E64-R135 IonicContact OE1-NH1 3.84Å; E64-R135 PolarHBondContact OE1-NH1 2.62Å; T130-R135 CarbonylContact C-O 3.57Å; T130-R135 WeakPolarHBondContact CA-O 3.36Å; T130-R135 WeakPolarHBondContact CB-O 3.25Å; T131-R135 HydrophobicContact CG2-CB 4.19Å; T131-R135 PolarHBondContact N-O 2.85Å; T131-R135 WeakPolarHBondContact OG1-CB 3.42Å; T131-R135 PolarHBondContact OG1-N 3.15Å; T131-R135 VanDerWaalsContact OG1-N 3.14Å; R135-A137 PolarHBondContact O-N 2.97Å | ||
| 136 | V | 89.9 | Confident | 87.1 | Confident | 97 Ų | 97 | 55.3 Ų | 55.3 | 59% | 0.588 | 32% | 0.315 | S | S | * | . | B | Isolated β-bridge | trans | -66.4 | 121.9 | 175.4 | -177.9 | 0 | 0 | 0 | 0 | 109.6 | F59 N138 F147 | F59-V136 WeakPolarHBondContact CE2-O 3.1Å; V136-N138 HydrophobicContact CG1-CB 4.04Å; V136-N138 PolarHBondContact O-N 3.47Å; V136-F147 HydrophobicContact CG1-CE1 3.82Å; V136-F147 HydrophobicContact CG1-CZ 3.91Å |
| 137 | A | 91.4 | Very high | 87.1 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.008 | 30% | 0.298 | C | S | . | . | trans | -83 | 43.2 | -180 | 0 | 0 | 0 | 0 | 0 | 112.5 | V57 I128 Q129 T131 R135 V139 F147 | V57-A137 HydrophobicContact CB-CB 4.13Å; I128-A137 HydrophobicContact CG2-CB 4.04Å; Q129-A137 PolarHBondContact O-N 2.99Å; T131-A137 HydrophobicContact CG2-CB 4.16Å; R135-A137 PolarHBondContact O-N 2.97Å; A137-V139 PolarHBondContact O-N 2.98Å; A137-F147 WeakPolarHBondContact O-CD1 3.29Å | ||
| 138 | N | 89.9 | Confident | 87.2 | Confident | 40 Ų | 40 | 50.9 Ų | 50.9 | 21% | 0.214 | 29% | 0.287 | C | S | . | . | trans | -74.3 | 113.3 | 174.3 | -178.6 | 11 | 0 | 0 | 0 | 108.7 | V136 N140 L146 F147 | V136-N138 HydrophobicContact CG1-CB 4.04Å; V136-N138 PolarHBondContact O-N 3.47Å; N138-N140 PolarHBondContact OD1-N 2.76Å; N138-N140 PolarHBondContact OD1-O 3.43Å; N138-L146 PolarHBondContact OD1-N 2.84Å; N138-L146 PolarHBondContact OD1-O 2.92Å; N138-F147 HydrophobicContact CB-CE1 4.16Å; N138-F147 HydrophobicContact CB-CZ 4.21Å | ||
| 139 | V | 88.4 | Confident | 87.2 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | -89.9 | -4.8 | 179.9 | -55.7 | 0 | 0 | 0 | 0 | 112.7 | V57 L84 N85 A137 L146 I148 L189 | V57-V139 HydrophobicContact CG1-CG1 3.95Å; V57-V139 HydrophobicContact CG2-CG1 3.88Å; L84-V139 HydrophobicContact CD1-CB 4.06Å; L84-V139 HydrophobicContact CD1-CG1 3.77Å; N85-V139 PolarHBondContact OD1-O 3.16Å; A137-V139 PolarHBondContact O-N 2.98Å; V139-L146 HydrophobicContact CG2-CD2 3.36Å; V139-L146 WeakPolarHBondContact CG2-O 3.22Å; V139-L146 PolarHBondContact N-O 2.75Å; V139-I148 HydrophobicContact CG1-CD1 4.11Å; V139-I148 HydrophobicContact CG1-CG1 4.32Å; V139-I148 HydrophobicContact CG2-CG1 4.28Å; V139-L189 HydrophobicContact CG2-CD2 4.39Å | ||
| 140 | N | 82.2 | Confident | 87.4 | Confident | 9 Ų | 9 | 46 Ų | 46 | 5% | 0.048 | 27% | 0.265 | C | S | . | . | trans | -93.8 | 160.1 | 172.2 | 178.7 | 38.3 | 0 | 0 | 0 | 110.9 | N138 A142 E144 L146 R191 | N138-N140 PolarHBondContact OD1-N 2.76Å; N138-N140 PolarHBondContact OD1-O 3.43Å; N140-A142 PolarHBondContact OD1-N 3.3Å; N140-E144 PolarHBondContact ND2-O 3.48Å; N140-L146 HydrophobicContact CB-CB 3.14Å; N140-L146 HydrophobicContact CB-CD1 4.14Å; N140-L146 HydrophobicContact CB-CD2 4.38Å; N140-L146 HydrophobicContact CB-CG 4.08Å; N140-R191 WeakPolarHBondContact OD1-CB 3.43Å; N140-R191 PolarHBondContact OD1-N 3.42Å | ||
| 141 | N | 74.7 | Confident | 87.4 | Confident | 24 Ų | 24 | 44.9 Ų | 44.9 | 13% | 0.128 | 25% | 0.251 | C | S | . | . | trans | -122 | 4.1 | -170.2 | 78.5 | -32.2 | 0 | 0 | 0 | 113.9 | S88 Q91 N190 R191 G192 | S88-N141 PolarHBondContact OG-ND2 3.36Å; Q91-N141 VanDerWaalsContact NE2-CB 3.26Å; Q91-N141 PolarHBondContact NE2-ND2 3.03Å; Q91-N141 PolarHBondContact NE2-O 2.94Å; Q91-N141 VanDerWaalsContact NE2-O 3.09Å; Q91-N141 VanDerWaalsContact OE1-CG 3.26Å; Q91-N141 PolarHBondContact OE1-ND2 2.94Å; N141-N190 PolarHBondContact ND2-OD1 3.49Å; N141-N190 PolarHBondContact OD1-OD1 2.82Å; N141-R191 PolarHBondContact OD1-N 3.3Å; N141-G192 WeakPolarHBondContact ND2-CA 3.35Å; N141-G192 VanDerWaalsContact OD1-CA 3.29Å; N141-G192 WeakPolarHBondContact OD1-CA 3.42Å; N141-G192 PolarHBondContact OD1-N 2.65Å | ||
| 142 | A | 73.7 | Confident | 87.3 | Confident | 43 Ų | 43 | 47.5 Ų | 47.5 | 36% | 0.355 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -90.2 | -177.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | N140 E144 | N140-A142 PolarHBondContact OD1-N 3.3Å; A142-E144 VanDerWaalsContact C-N 3.28Å; A142-E144 PolarHBondContact O-N 3.47Å |
| 143 | K | 73.3 | Confident | 87.2 | Confident | 218 Ų | 218 | 44 Ų | 44 | 95% | 0.948 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -66.7 | -26.2 | 178.9 | -71.8 | -173.5 | 177.6 | -178 | 0 | 113.8 | ||
| 144 | E | 78.9 | Confident | 87.1 | Confident | 100 Ų | 100 | 44.5 Ų | 44.5 | 47% | 0.467 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -80.5 | 133.4 | -179.6 | -66.1 | 175.4 | 179.6 | 0 | 0 | 110.8 | N140 A142 R191 | N140-E144 PolarHBondContact ND2-O 3.48Å; A142-E144 VanDerWaalsContact C-N 3.28Å; A142-E144 PolarHBondContact O-N 3.47Å; E144-R191 IonicContact OE2-NH1 2.65Å |
| 145 | G | 84.2 | Confident | 86.5 | Confident | 4 Ų | 4 | 48.7 Ų | 48.7 | 4% | 0.041 | 24% | 0.241 | C | C | . | . | trans | -66.9 | 133.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E115 | E115-G145 WeakPolarHBondContact CB-O 3.28Å; E115-G145 PolarHBondContact N-O 3.11Å; E115-G145 WeakPolarHBondContact OE2-CA 3.41Å | ||
| 146 | L | 89.1 | Confident | 86.2 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 122 | 173.4 | -163.9 | 136 | 0 | 0 | 0 | 108.2 | V112 L113 C114 N138 V139 N140 L189 | V112-L146 HydrophobicContact CG1-CD1 4.17Å; V112-L146 HydrophobicContact CG1-CD2 3.45Å; V112-L146 VanDerWaalsContact CG1-CD2 3.45Å; V112-L146 HydrophobicContact CG1-CG 3.7Å; L113-L146 WeakPolarHBondContact O-CA 3.29Å; C114-L146 WeakPolarHBondContact SG-CD1 3.1Å; N138-L146 PolarHBondContact OD1-N 2.84Å; N138-L146 PolarHBondContact OD1-O 2.92Å; V139-L146 HydrophobicContact CG2-CD2 3.36Å; V139-L146 WeakPolarHBondContact CG2-O 3.22Å; V139-L146 PolarHBondContact N-O 2.75Å; N140-L146 HydrophobicContact CB-CB 3.14Å; N140-L146 HydrophobicContact CB-CD1 4.14Å; N140-L146 HydrophobicContact CB-CD2 4.38Å; N140-L146 HydrophobicContact CB-CG 4.08Å; L146-L189 HydrophobicContact CD2-CB 4.43Å; L146-L189 HydrophobicContact CD2-CD2 3.63Å |
| 147 | F | 92.6 | Very high | 85.8 | Confident | 13 Ų | 13 | 44.1 Ų | 44.1 | 6% | 0.057 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 143.9 | -171.5 | -62.8 | -83.6 | 0 | 0 | 0 | 110.5 | V112 L113 E115 V127 I128 V136 A137 N138 | V112-F147 WeakPolarHBondContact CA-O 3.32Å; L113-F147 PolarHBondContact N-O 3.49Å; L113-F147 PolarHBondContact O-N 3.17Å; E115-F147 HydrophobicContact CG-CD2 4.23Å; E115-F147 HydrophobicContact CG-CE2 3.95Å; E115-F147 WeakPolarHBondContact OE1-CE2 3.45Å; V127-F147 HydrophobicContact CG1-CB 3.65Å; V127-F147 HydrophobicContact CG1-CG 4.25Å; I128-F147 WeakPolarHBondContact O-CD1 3.27Å; V136-F147 HydrophobicContact CG1-CE1 3.82Å; V136-F147 HydrophobicContact CG1-CZ 3.91Å; A137-F147 WeakPolarHBondContact O-CD1 3.29Å; N138-F147 HydrophobicContact CB-CE1 4.16Å; N138-F147 HydrophobicContact CB-CZ 4.21Å |
| 148 | I | 94 | Very high | 85.3 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 135.2 | 173.3 | -63.1 | 175.2 | 0 | 0 | 0 | 108.2 | V57 L84 L96 I110 I128 V139 L200 | V57-I148 HydrophobicContact CG2-CD1 4.04Å; L84-I148 HydrophobicContact CD1-CD1 4.18Å; L96-I148 HydrophobicContact CD1-CD1 3.77Å; I110-I148 HydrophobicContact CG2-CG2 4.05Å; I128-I148 HydrophobicContact CD1-CB 4.19Å; I128-I148 HydrophobicContact CD1-CG2 4.03Å; I128-I148 PolarHBondContact N-O 3.11Å; V139-I148 HydrophobicContact CG1-CD1 4.11Å; V139-I148 HydrophobicContact CG1-CG1 4.32Å; V139-I148 HydrophobicContact CG2-CG1 4.28Å; I148-L200 HydrophobicContact CD1-CD2 4.49Å |
| 149 | T | 93.7 | Very high | 84.5 | Confident | 15 Ų | 15 | 43.9 Ų | 43.9 | 9% | 0.092 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 153.8 | 175.5 | 67.3 | 0 | 0 | 0 | 0 | 110.2 | I110 G111 L113 T126 V127 | I110-T149 CarbonylContact C-O 3.54Å; I110-T149 WeakPolarHBondContact CA-O 3.39Å; G111-T149 VanDerWaalsContact C-OG1 3.26Å; G111-T149 WeakPolarHBondContact CA-OG1 3.4Å; G111-T149 PolarHBondContact N-O 3.38Å; G111-T149 PolarHBondContact O-N 2.9Å; G111-T149 PolarHBondContact O-OG1 3.42Å; L113-T149 HydrophobicContact CB-CG2 3.7Å; T126-T149 CarbonylContact O-C 3.56Å; T126-T149 WeakPolarHBondContact O-CA 3.38Å; V127-T149 HydrophobicContact CB-CG2 4.29Å; V127-T149 HydrophobicContact CG1-CG2 4.2Å; V127-T149 HydrophobicContact CG2-CG2 3.87Å |
| 150 | F | 95.2 | Very high | 84 | Confident | 17 Ų | 17 | 46 Ų | 46 | 8% | 0.075 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 155.9 | 172.5 | 66.3 | -93.5 | 0 | 0 | 0 | 111.1 | L55 I107 D109 S125 T126 I128 | L55-F150 HydrophobicContact CB-CD1 4.44Å; L55-F150 HydrophobicContact CD1-CB 4.01Å; L55-F150 HydrophobicContact CD1-CD1 4.28Å; L55-F150 HydrophobicContact CD1-CG 4.35Å; I107-F150 HydrophobicContact CD1-CB 4.29Å; I107-F150 HydrophobicContact CD1-CD2 3.8Å; I107-F150 HydrophobicContact CD1-CE2 4.3Å; I107-F150 HydrophobicContact CD1-CG 4Å; I107-F150 HydrophobicContact CG1-CD2 3.91Å; I107-F150 HydrophobicContact CG1-CE2 4.45Å; I107-F150 HydrophobicContact CG1-CG 4.49Å; I107-F150 HydrophobicContact CG2-CB 3.95Å; D109-F150 CarbonylContact O-C 3.56Å; D109-F150 VanDerWaalsContact O-CA 3.25Å; D109-F150 WeakPolarHBondContact O-CA 3.46Å; S125-F150 CarbonylContact C-O 3.54Å; S125-F150 WeakPolarHBondContact CA-O 3.16Å; T126-F150 HydrophobicContact CG2-CE1 3.94Å; T126-F150 HydrophobicContact CG2-CE2 4.39Å; T126-F150 HydrophobicContact CG2-CZ 3.7Å; T126-F150 PolarHBondContact N-O 3.09Å; T126-F150 PolarHBondContact O-N 2.72Å; I128-F150 HydrophobicContact CD1-CD1 4.11Å; I128-F150 HydrophobicContact CD1-CE1 4.28Å; I128-F150 HydrophobicContact CG1-CD1 4Å; I128-F150 HydrophobicContact CG1-CE1 3.89Å |
| 151 | R | 93.8 | Very high | 83.9 | Confident | 60 Ų | 60 | 48.1 Ų | 48.1 | 23% | 0.226 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 138.5 | 174.2 | -71.2 | 174.7 | 63.4 | -136.8 | -4 | 109.4 | I107 V108 D109 W122 D124 | I107-R151 CarbonylContact C-O 3.53Å; I107-R151 WeakPolarHBondContact CA-O 3.15Å; V108-R151 HydrophobicContact CG2-CB 3.9Å; V108-R151 WeakPolarHBondContact CG2-O 3.27Å; V108-R151 PolarHBondContact N-O 3.38Å; D109-R151 HydrophobicContact CB-CB 4.15Å; D109-R151 PolarHBondContact O-N 3.14Å; W122-R151 VanDerWaalsContact CE3-CZ 3.42Å; D124-R151 IonicContact OD1-CZ 2.88Å; D124-R151 IonicContact OD1-NE 3.28Å; D124-R151 PolarHBondContact OD1-NE 3.09Å; D124-R151 IonicContact OD1-NH2 2.59Å; D124-R151 IonicContact OD2-CZ 2.78Å; D124-R151 IonicContact OD2-NE 3.86Å; D124-R151 PolarHBondContact OD2-NE 2.88Å; D124-R151 IonicContact OD2-NH2 3.85Å; D124-R151 PolarHBondContact OD2-NH2 3.35Å |
| 152 | R | 91.7 | Very high | 84.4 | Confident | 59 Ų | 59 | 49.9 Ų | 49.9 | 22% | 0.223 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 144.6 | -179.7 | -168 | 177.5 | -61.3 | -76 | -1 | 110 | T53 D54 P105 | T53-R152 PolarHBondContact O-NH1 3.25Å; T53-R152 PolarHBondContact O-NH2 3.45Å; D54-R152 IonicContact OD1-NH2 2.93Å; P105-R152 HydrophobicContact CB-CG 3.92Å; P105-R152 WeakPolarHBondContact O-CD 3.28Å; P105-R152 VanDerWaalsContact O-CG 3.29Å; P105-R152 WeakPolarHBondContact O-CG 3.41Å; P105-R152 PolarHBondContact O-NH1 2.97Å |
| 153 | A | 87.9 | Confident | 85 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 5% | 0.05 | 24% | 0.236 | C | C | . | . | trans | -59 | 143 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | P105 P106 V108 A157 L161 | P105-A153 HydrophobicContact CB-CB 4.14Å; P105-A153 WeakPolarHBondContact CB-O 3.31Å; P106-A153 HydrophobicContact CG-CB 4.08Å; P106-A153 PolarHBondContact O-N 3.26Å; V108-A153 HydrophobicContact CG1-CB 3.71Å; A153-A157 HydrophobicContact CB-CB 4.17Å; A153-L161 HydrophobicContact CB-CD2 3.54Å | ||
| 154 | P | 85.6 | Confident | 85.9 | Confident | 77 Ų | 77 | 37.5 Ų | 37.5 | 50% | 0.5 | 19% | 0.19 | S | C | . | . | trans | -65.6 | 154 | 167.7 | 29.7 | -34.1 | 0 | 0 | 0 | 110.4 | N156 A157 | P154-N156 PolarHBondContact O-N 3.28Å; P154-A157 HydrophobicContact CG-CB 4.12Å; P154-A157 WeakPolarHBondContact O-CB 3.05Å; P154-A157 PolarHBondContact O-N 2.98Å | ||
| 155 | E | 77.8 | Confident | 86.2 | Confident | 144 Ų | 144 | 33.7 Ų | 33.7 | 67% | 0.673 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -25.7 | -176.5 | -66.3 | -178.3 | 175.9 | 0 | 0 | 113.9 | P105 T316 | P105-E155 HydrophobicContact CG-CG 4.1Å; E155-T316 HydrophobicContact CB-CG2 4.27Å; E155-T316 HydrophobicContact CG-CG2 4.19Å |
| 156 | N | 82.2 | Confident | 86.4 | Confident | 80 Ų | 80 | 36.2 Ų | 36.2 | 43% | 0.428 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 21.5 | 177.3 | 67 | -19.2 | 0 | 0 | 0 | 113 | P154 K253 Q255 | P154-N156 PolarHBondContact O-N 3.28Å; N156-K253 WeakPolarHBondContact CB-O 3.45Å; N156-Q255 VanDerWaalsContact O-CB 3.3Å; N156-Q255 WeakPolarHBondContact O-CB 3.32Å; N156-Q255 PolarHBondContact O-N 2.66Å |
| 157 | A | 82 | Confident | 86.7 | Confident | 15 Ų | 15 | 36.4 Ų | 36.4 | 12% | 0.124 | 19% | 0.188 | C | C | . | . | trans | -51.2 | 146.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | A153 P154 L161 C254 | A153-A157 HydrophobicContact CB-CB 4.17Å; P154-A157 HydrophobicContact CG-CB 4.12Å; P154-A157 WeakPolarHBondContact O-CB 3.05Å; P154-A157 PolarHBondContact O-N 2.98Å; A157-L161 HydrophobicContact CB-CD2 3.76Å; A157-C254 PolarHBondContact O-SG 3.43Å; A157-C254 VanDerWaalsContact O-SG 3.34Å | ||
| 158 | P | 80.9 | Confident | 86.9 | Confident | 24 Ų | 24 | 36.4 Ų | 36.4 | 16% | 0.156 | 19% | 0.19 | C | C | . | . | trans | -65.9 | 150.4 | 173.1 | 29.2 | -34.6 | 0 | 0 | 0 | 111.2 | N160 L161 Q255 P257 | P158-N160 PolarHBondContact O-N 3.09Å; P158-L161 HydrophobicContact CG-CB 4.42Å; P158-L161 VanDerWaalsContact O-CB 3.31Å; P158-L161 WeakPolarHBondContact O-CB 3.4Å; P158-L161 PolarHBondContact O-N 3.16Å; P158-L161 VanDerWaalsContact O-N 3.12Å; P158-Q255 VanDerWaalsContact CA-O 3.28Å; P158-Q255 WeakPolarHBondContact CA-O 3.44Å; P158-Q255 WeakPolarHBondContact CB-O 3.25Å; P158-P257 HydrophobicContact CB-CG 4.29Å | ||
| 159 | S | 73.3 | Confident | 86.9 | Confident | 12 Ų | 12 | 36.4 Ų | 36.4 | 8% | 0.084 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -33.5 | -176.7 | 61.8 | 0 | 0 | 0 | 0 | 113.2 | L161 V209 W250 | S159-L161 VanDerWaalsContact C-N 3.28Å; S159-L161 PolarHBondContact O-N 3.25Å; S159-V209 VanDerWaalsContact O-CG2 3.24Å; S159-V209 WeakPolarHBondContact O-CG2 3.35Å; S159-W250 PolarHBondContact OG-NE1 3.41Å; S159-W250 VanDerWaalsContact OG-NE1 3.15Å |
| 160 | N | 76.4 | Confident | 87 | Confident | 45 Ų | 45 | 35.7 Ų | 35.7 | 24% | 0.241 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 17.4 | -179.1 | 71.3 | -16.8 | 0 | 0 | 0 | 114.3 | P158 F162 L206 | P158-N160 PolarHBondContact O-N 3.09Å; N160-F162 PolarHBondContact O-N 3Å; N160-L206 HydrophobicContact CB-CD1 4.13Å; N160-L206 WeakPolarHBondContact O-CD1 3.49Å |
| 161 | L | 81.8 | Confident | 86.9 | Confident | 52 Ų | 52 | 34.9 Ų | 34.9 | 27% | 0.272 | 18% | 0.182 | S | C | . | . | trans | -70.3 | 128.3 | 176.6 | -169.1 | 73.7 | 0 | 0 | 0 | 111.3 | V108 A153 A157 P158 S159 S207 | V108-L161 HydrophobicContact CG1-CD2 3.6Å; V108-L161 HydrophobicContact CG1-CG 4.22Å; A153-L161 HydrophobicContact CB-CD2 3.54Å; A157-L161 HydrophobicContact CB-CD2 3.76Å; P158-L161 HydrophobicContact CG-CB 4.42Å; P158-L161 VanDerWaalsContact O-CB 3.31Å; P158-L161 WeakPolarHBondContact O-CB 3.4Å; P158-L161 PolarHBondContact O-N 3.16Å; P158-L161 VanDerWaalsContact O-N 3.12Å; S159-L161 VanDerWaalsContact C-N 3.28Å; S159-L161 PolarHBondContact O-N 3.25Å; L161-S207 PolarHBondContact O-N 3.14Å; L161-S207 PolarHBondContact O-OG 3.31Å | ||
| 162 | F | 83.5 | Confident | 86.7 | Confident | 61 Ų | 61 | 33.7 Ų | 33.7 | 27% | 0.268 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 131.3 | 172.8 | -61.8 | -61.9 | 0 | 0 | 0 | 111.6 | N160 K204 S205 L206 L440 | N160-F162 PolarHBondContact O-N 3Å; F162-K204 HydrophobicContact CB-CB 4.34Å; F162-S205 CarbonylContact C-O 3.56Å; F162-S205 VanDerWaalsContact CA-O 3.27Å; F162-S205 WeakPolarHBondContact CA-O 3.22Å; F162-L206 HydrophobicContact CD1-CB 4.36Å; F162-L206 HydrophobicContact CD1-CD1 3.97Å; F162-L206 HydrophobicContact CE1-CB 4.2Å; F162-L206 HydrophobicContact CE1-CD1 3.5Å; F162-L206 HydrophobicContact CE1-CG 4.49Å; F162-L206 HydrophobicContact CZ-CD1 4.14Å; F162-L440 HydrophobicContact CD1-CD1 3.98Å; F162-L440 HydrophobicContact CD1-CD2 4.21Å; F162-L440 HydrophobicContact CD2-CD1 4.13Å; F162-L440 HydrophobicContact CE1-CB 4.31Å; F162-L440 HydrophobicContact CE1-CD1 3.98Å; F162-L440 HydrophobicContact CE1-CD2 3.5Å; F162-L440 HydrophobicContact CE1-CG 4.13Å; F162-L440 HydrophobicContact CE2-CB 3.83Å; F162-L440 HydrophobicContact CE2-CD1 4.09Å; F162-L440 HydrophobicContact CE2-CG 4.37Å; F162-L440 HydrophobicContact CG-CD1 4.09Å; F162-L440 HydrophobicContact CZ-CB 3.66Å; F162-L440 HydrophobicContact CZ-CD1 4.03Å; F162-L440 HydrophobicContact CZ-CD2 3.69Å; F162-L440 HydrophobicContact CZ-CG 3.99Å |
| 163 | S | 87.3 | Confident | 86.5 | Confident | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.014 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 159.5 | 176.5 | 52.8 | 0 | 0 | 0 | 0 | 111.8 | I107 S165 K204 S205 S207 | I107-S163 CarbonylContact O-C 3.55Å; I107-S163 WeakPolarHBondContact O-CA 3.37Å; S163-S165 PolarHBondContact O-N 3.21Å; S163-K204 CarbonylContact O-C 3.55Å; S163-K204 VanDerWaalsContact O-CA 3.26Å; S163-K204 WeakPolarHBondContact O-CA 3.34Å; S163-S205 PolarHBondContact N-O 3.38Å; S163-S205 PolarHBondContact O-N 3.49Å; S163-S207 WeakPolarHBondContact CB-OG 3.43Å; S163-S207 PolarHBondContact OG-OG 3.46Å |
| 164 | V | 90.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 116.3 | 176.2 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | I52 I107 I110 I167 Y202 K203 | I52-V164 WeakPolarHBondContact CB-O 2.94Å; I52-V164 HydrophobicContact CD1-CG1 4.26Å; I52-V164 PolarHBondContact N-O 2.87Å; I107-V164 HydrophobicContact CB-CG2 4.48Å; I107-V164 HydrophobicContact CG2-CB 4.36Å; I107-V164 HydrophobicContact CG2-CG2 3.89Å; I107-V164 WeakPolarHBondContact O-CG2 3.46Å; I107-V164 PolarHBondContact O-N 3.36Å; I110-V164 HydrophobicContact CD1-CG1 4.04Å; I110-V164 HydrophobicContact CD1-CG2 4.49Å; I110-V164 HydrophobicContact CG1-CG2 4.31Å; V164-I167 HydrophobicContact CG1-CD1 4.3Å; V164-I167 HydrophobicContact CG1-CG1 3.97Å; V164-Y202 HydrophobicContact CG1-CD2 4.09Å; V164-Y202 HydrophobicContact CG2-CD2 3.82Å; V164-Y202 HydrophobicContact CG2-CE2 4.19Å; V164-K203 WeakPolarHBondContact CA-O 3.44Å |
| 165 | S | 86.3 | Confident | 86.5 | Confident | 19 Ų | 19 | 39.2 Ų | 39.2 | 13% | 0.133 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | -18.9 | -178 | 45.6 | 0 | 0 | 0 | 0 | 114.1 | R100 S163 K203 S205 | R100-S165 PolarHBondContact NH1-O 3.49Å; R100-S165 PolarHBondContact NH2-O 2.78Å; S163-S165 PolarHBondContact O-N 3.21Å; S165-K203 PolarHBondContact N-O 3.14Å; S165-K203 PolarHBondContact OG-O 3.49Å; S165-S205 WeakPolarHBondContact CB-OG 3.03Å; S165-S205 WeakPolarHBondContact OG-CB 3.45Å; S165-S205 PolarHBondContact OG-OG 3.34Å |
| 166 | D | 89.4 | Confident | 87 | Confident | 57 Ų | 57 | 33.3 Ų | 33.3 | 31% | 0.305 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 156.5 | 177.1 | -154.9 | 4.9 | 0 | 0 | 0 | 112 | R100 F182 Y202 K203 | R100-D166 IonicContact NH2-OD1 3.37Å; D166-F182 HydrophobicContact CB-CE1 3.97Å; D166-F182 HydrophobicContact CB-CZ 3.78Å; D166-F182 WeakPolarHBondContact OD2-CZ 3.11Å; D166-Y202 CarbonylContact O-C 3.58Å; D166-Y202 WeakPolarHBondContact O-CA 3.25Å; D166-Y202 WeakPolarHBondContact O-CB 3.31Å; D166-K203 HydrophobicContact CB-CB 4.07Å; D166-K203 PolarHBondContact O-N 2.98Å |
| 167 | I | 95.3 | Very high | 87.1 | Confident | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 133.5 | -177.2 | -57 | 172.6 | 0 | 0 | 0 | 109.4 | I52 L55 L96 I110 V164 L200 C201 | I52-I167 HydrophobicContact CD1-CD1 3.77Å; I52-I167 HydrophobicContact CD1-CG1 3.76Å; I52-I167 HydrophobicContact CG2-CD1 4.37Å; L55-I167 HydrophobicContact CD2-CD1 3.39Å; L96-I167 HydrophobicContact CD2-CG2 3.75Å; I110-I167 HydrophobicContact CD1-CD1 3.51Å; I110-I167 HydrophobicContact CD1-CG1 3.93Å; V164-I167 HydrophobicContact CG1-CD1 4.3Å; V164-I167 HydrophobicContact CG1-CG1 3.97Å; I167-L200 HydrophobicContact CG2-CD1 3.55Å; I167-L200 HydrophobicContact CG2-CG 4.35Å; I167-C201 CarbonylContact C-O 3.59Å; I167-C201 WeakPolarHBondContact CA-O 3.07Å |
| 168 | C | 94.9 | Very high | 87.4 | Confident | 13 Ų | 13 | 34.6 Ų | 34.6 | 9% | 0.088 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 163.4 | 172.2 | 66.4 | 0 | 0 | 0 | 0 | 111.8 | P77 F182 C201 | P77-C168 HydrophobicContact CG-CB 4.22Å; C168-F182 HydrophobicContact CB-CE1 4.32Å; C168-F182 VanDerWaalsContact SG-CD1 3.55Å; C168-C201 PolarHBondContact N-O 3.48Å; C168-C201 PolarHBondContact O-N 3.43Å |
| 169 | V | 95.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 140.9 | 174.7 | 177.9 | 0 | 0 | 0 | 0 | 108.4 | V73 T76 P77 A82 L84 V198 Y199 L200 | V73-V169 HydrophobicContact CG1-CG2 4.11Å; T76-V169 WeakPolarHBondContact CA-O 3.44Å; T76-V169 WeakPolarHBondContact CB-O 3.48Å; T76-V169 WeakPolarHBondContact CG2-O 3.06Å; P77-V169 WeakPolarHBondContact CD-O 3.44Å; A82-V169 HydrophobicContact CB-CB 3.85Å; A82-V169 HydrophobicContact CB-CG1 4.35Å; A82-V169 HydrophobicContact CB-CG2 4.23Å; L84-V169 HydrophobicContact CD2-CG1 4.19Å; L84-V169 HydrophobicContact CD2-CG2 3.76Å; V169-V198 HydrophobicContact CG1-CG1 3.44Å; V169-V198 VanDerWaalsContact CG1-CG1 3.44Å; V169-Y199 WeakPolarHBondContact CA-O 3.26Å; V169-L200 HydrophobicContact CG2-CD1 4.09Å |
| 170 | I | 94.1 | Very high | 87.9 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 148.3 | 175.8 | 65.3 | 171.7 | 0 | 0 | 0 | 111.5 | P77 E176 P178 K184 Y199 | P77-I170 HydrophobicContact CG-CG2 4.31Å; I170-E176 WeakPolarHBondContact CA-OE2 3.06Å; I170-E176 HydrophobicContact CB-CB 4.08Å; I170-P178 HydrophobicContact CD1-CB 4.4Å; I170-P178 HydrophobicContact CD1-CG 3.68Å; I170-K184 HydrophobicContact CD1-CD 4.44Å; I170-Y199 PolarHBondContact N-O 2.97Å; I170-Y199 PolarHBondContact O-N 2.68Å |
| 171 | L | 93.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 93.9 | 175 | -56.4 | 177.3 | 0 | 0 | 0 | 109.6 | T76 H80 H86 N173 K174 E176 D197 V198 | T76-L171 HydrophobicContact CG2-CD1 4.24Å; T76-L171 HydrophobicContact CG2-CG 4.01Å; H80-L171 HydrophobicContact CB-CD1 3.67Å; H86-L171 HydrophobicContact CB-CD2 3.8Å; L171-N173 VanDerWaalsContact C-N 3.27Å; L171-N173 PolarHBondContact O-N 3.08Å; L171-K174 HydrophobicContact CB-CB 4.11Å; L171-K174 HydrophobicContact CB-CG 3.98Å; L171-K174 HydrophobicContact CD1-CG 4.26Å; L171-K174 PolarHBondContact O-N 2.91Å; L171-E176 WeakPolarHBondContact CB-OE2 3.26Å; L171-E176 PolarHBondContact N-OE2 3.31Å; L171-E176 WeakPolarHBondContact O-CB 3.4Å; L171-E176 PolarHBondContact O-N 3.37Å; L171-D197 WeakPolarHBondContact CA-O 3.45Å; L171-V198 HydrophobicContact CD2-CB 4.39Å; L171-V198 HydrophobicContact CD2-CG1 4.26Å; L171-V198 HydrophobicContact CD2-CG2 3.72Å |
| 172 | A | 89.6 | Confident | 88.5 | Confident | 34 Ų | 34 | 33.9 Ų | 33.9 | 28% | 0.281 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -63.6 | -32.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K174 G175 D197 Y199 | A172-K174 PolarHBondContact O-N 3.43Å; A172-G175 PolarHBondContact O-N 3.06Å; A172-D197 HydrophobicContact CB-CB 4.07Å; A172-D197 PolarHBondContact N-O 2.81Å; A172-Y199 HydrophobicContact CB-CD2 3.92Å; A172-Y199 HydrophobicContact CB-CE2 3.7Å |
| 173 | N | 88.9 | Confident | 88.8 | Confident | 75 Ų | 75 | 33.1 Ų | 33.1 | 40% | 0.401 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -69.1 | -16 | 176.3 | 69.2 | -29.1 | 0 | 0 | 0 | 113.8 | L171 G175 S196 D197 | L171-N173 VanDerWaalsContact C-N 3.27Å; L171-N173 PolarHBondContact O-N 3.08Å; N173-G175 VanDerWaalsContact C-N 3.29Å; N173-S196 VanDerWaalsContact ND2-CA 3.29Å; N173-S196 WeakPolarHBondContact ND2-CA 3.28Å; N173-S196 WeakPolarHBondContact ND2-CB 3.08Å; N173-S196 PolarHBondContact ND2-OG 3.16Å; N173-S196 WeakPolarHBondContact OD1-CB 3.2Å; N173-S196 PolarHBondContact OD1-OG 3.02Å; N173-D197 HydrophobicContact CB-CB 4.5Å |
| 174 | K | 88.5 | Confident | 89 | Confident | 120 Ų | 120 | 36.2 Ų | 36.2 | 52% | 0.522 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -90 | 6 | 170.9 | -62.8 | -62.9 | -175.9 | 178.5 | 0 | 112.7 | L171 A172 E176 | L171-K174 HydrophobicContact CB-CB 4.11Å; L171-K174 HydrophobicContact CB-CG 3.98Å; L171-K174 HydrophobicContact CD1-CG 4.26Å; L171-K174 PolarHBondContact O-N 2.91Å; A172-K174 PolarHBondContact O-N 3.43Å; K174-E176 VanDerWaalsContact C-N 3.31Å |
| 175 | G | 84.6 | Confident | 89 | Confident | 64 Ų | 64 | 37.2 Ų | 37.2 | 66% | 0.66 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | 10.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A172 N173 | A172-G175 PolarHBondContact O-N 3.06Å; N173-G175 VanDerWaalsContact C-N 3.29Å |
| 176 | E | 88.7 | Confident | 89 | Confident | 19 Ų | 19 | 42.6 Ų | 42.6 | 9% | 0.089 | 24% | 0.241 | C | C | . | . | trans | -72.1 | 135.8 | 174 | -63.2 | -167.3 | 115.6 | 0 | 0 | 111 | T76 S78 I170 L171 K174 | T76-E176 VanDerWaalsContact CB-OE1 3.28Å; T76-E176 WeakPolarHBondContact CB-OE1 3.44Å; T76-E176 WeakPolarHBondContact CB-OE2 3.43Å; T76-E176 PolarHBondContact OG1-OE1 3.42Å; S78-E176 WeakPolarHBondContact CB-OE1 3.45Å; S78-E176 PolarHBondContact N-OE1 2.84Å; S78-E176 PolarHBondContact OG-OE1 2.87Å; I170-E176 WeakPolarHBondContact CA-OE2 3.06Å; I170-E176 HydrophobicContact CB-CB 4.08Å; L171-E176 WeakPolarHBondContact CB-OE2 3.26Å; L171-E176 PolarHBondContact N-OE2 3.31Å; L171-E176 WeakPolarHBondContact O-CB 3.4Å; L171-E176 PolarHBondContact O-N 3.37Å; K174-E176 VanDerWaalsContact C-N 3.31Å | ||
| 177 | T | 84.8 | Confident | 88.9 | Confident | 94 Ų | 94 | 42.1 Ų | 42.1 | 58% | 0.577 | 24% | 0.236 | S | C | * | . | trans | -113.9 | 153.7 | 171.4 | 56.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 178 | P | 86.8 | Confident | 88.6 | Confident | 28 Ų | 28 | 43.3 Ų | 43.3 | 18% | 0.182 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -50.1 | 135.2 | 174.1 | -24.4 | 32.9 | 0 | 0 | 0 | 110.4 | I170 K184 | I170-P178 HydrophobicContact CD1-CB 4.4Å; I170-P178 HydrophobicContact CD1-CG 3.68Å; P178-K184 HydrophobicContact CB-CB 4.39Å; P178-K184 HydrophobicContact CG-CB 3.68Å; P178-K184 HydrophobicContact CG-CD 3.79Å; P178-K184 HydrophobicContact CG-CG 4.07Å |
| 179 | P | 84.7 | Confident | 88.3 | Confident | 35 Ų | 35 | 42.7 Ų | 42.7 | 23% | 0.227 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -56.7 | 154.5 | 171.4 | -21.8 | 32.6 | 0 | 0 | 0 | 110.5 | P77 T181 F182 | P77-P179 HydrophobicContact CB-CG 4.31Å; P77-P179 HydrophobicContact CG-CG 3.72Å; P179-T181 PolarHBondContact O-N 2.86Å; P179-F182 HydrophobicContact CB-CD2 3.66Å; P179-F182 HydrophobicContact CB-CE2 3.98Å; P179-F182 HydrophobicContact CB-CG 4.2Å; P179-F182 HydrophobicContact CG-CD2 4.25Å; P179-F182 HydrophobicContact CG-CG 4.38Å; P179-F182 WeakPolarHBondContact O-CB 3.43Å; P179-F182 PolarHBondContact O-N 3.25Å; P179-F182 VanDerWaalsContact O-N 3.11Å |
| 180 | H | 80.3 | Confident | 87.8 | Confident | 48 Ų | 48 | 42.9 Ų | 42.9 | 22% | 0.222 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 138 | 178.7 | -172.6 | 49.5 | 0 | 0 | 0 | 110.3 | F182 H438 C504 | H180-F182 VanDerWaalsContact C-N 3.29Å; H180-F182 WeakPolarHBondContact O-CD2 3.49Å; H180-F182 PolarHBondContact O-N 3.34Å; H180-H438 AromaticContact CE1-NE2 3.1Å; H180-H438 PolarHBondContact CE1-NE2 3.46Å; H180-H438 AromaticContact NE2-NE2 3.25Å; H180-H438 PolarHBondContact NE2-NE2 2.82Å; H180-C504 WeakPolarHBondContact NE2-CB 3.47Å |
| 181 | T | 83.4 | Confident | 87.1 | Confident | 17 Ų | 17 | 47.9 Ų | 47.9 | 10% | 0.104 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | -0.6 | -174.8 | 77.4 | 0 | 0 | 0 | 0 | 117.1 | P179 K203 D506 | P179-T181 PolarHBondContact O-N 2.86Å; T181-K203 WeakPolarHBondContact OG1-CD 3.09Å; T181-K203 VanDerWaalsContact OG1-CE 3.3Å; T181-K203 WeakPolarHBondContact OG1-CE 3.14Å; T181-D506 WeakPolarHBondContact CA-OD2 3.37Å |
| 182 | F | 88.4 | Confident | 86.1 | Confident | 19 Ų | 19 | 49.1 Ų | 49.1 | 8% | 0.083 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 130.4 | 176.8 | -75.3 | -115.5 | 0 | 0 | 0 | 111.5 | D166 C168 P179 H180 C201 Y202 K203 | D166-F182 HydrophobicContact CB-CE1 3.97Å; D166-F182 HydrophobicContact CB-CZ 3.78Å; D166-F182 WeakPolarHBondContact OD2-CZ 3.11Å; C168-F182 HydrophobicContact CB-CE1 4.32Å; C168-F182 VanDerWaalsContact SG-CD1 3.55Å; P179-F182 HydrophobicContact CB-CD2 3.66Å; P179-F182 HydrophobicContact CB-CE2 3.98Å; P179-F182 HydrophobicContact CB-CG 4.2Å; P179-F182 HydrophobicContact CG-CD2 4.25Å; P179-F182 HydrophobicContact CG-CG 4.38Å; P179-F182 WeakPolarHBondContact O-CB 3.43Å; P179-F182 PolarHBondContact O-N 3.25Å; P179-F182 VanDerWaalsContact O-N 3.11Å; H180-F182 VanDerWaalsContact C-N 3.29Å; H180-F182 WeakPolarHBondContact O-CD2 3.49Å; H180-F182 PolarHBondContact O-N 3.34Å; F182-C201 HydrophobicContact CB-CB 4.14Å; F182-C201 HydrophobicContact CD1-CB 4.21Å; F182-Y202 CarbonylContact C-O 3.54Å; F182-Y202 WeakPolarHBondContact CA-O 3.47Å; F182-K203 HydrophobicContact CD1-CB 4.2Å; F182-K203 HydrophobicContact CD2-CB 4.15Å; F182-K203 HydrophobicContact CE1-CB 4.07Å; F182-K203 HydrophobicContact CE2-CB 4.03Å; F182-K203 HydrophobicContact CE2-CD 4.27Å; F182-K203 HydrophobicContact CG-CB 4.25Å; F182-K203 HydrophobicContact CZ-CB 3.99Å |
| 183 | Y | 88.9 | Confident | 85.4 | Confident | 44 Ų | 44 | 56.5 Ų | 56.5 | 17% | 0.173 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 124.9 | 166.6 | -66.4 | -91 | 0 | 0 | 0 | 109.1 | C201 Y202 K204 D508 T509 | Y183-C201 CarbonylContact O-C 3.53Å; Y183-C201 WeakPolarHBondContact O-CA 3.13Å; Y183-Y202 WeakPolarHBondContact CD2-O 3.41Å; Y183-Y202 PolarHBondContact N-O 2.92Å; Y183-Y202 PolarHBondContact O-N 3.34Å; Y183-K204 HydrophobicContact CD2-CD 4.43Å; Y183-K204 HydrophobicContact CD2-CG 4.04Å; Y183-K204 HydrophobicContact CE2-CB 3.93Å; Y183-K204 HydrophobicContact CE2-CD 3.96Å; Y183-K204 HydrophobicContact CE2-CG 3.75Å; Y183-D508 HydrophobicContact CE1-CB 4.5Å; Y183-T509 HydrophobicContact CD1-CG2 3.9Å; Y183-T509 HydrophobicContact CD2-CG2 3.93Å; Y183-T509 HydrophobicContact CE1-CG2 3.92Å; Y183-T509 HydrophobicContact CE2-CG2 3.93Å; Y183-T509 HydrophobicContact CG-CG2 3.91Å |
| 184 | K | 91 | Very high | 84.9 | Confident | 68 Ų | 68 | 57 Ų | 57 | 30% | 0.296 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 122.2 | 169.9 | -178.5 | -177 | 172.4 | -178.9 | 0 | 109.8 | I170 P178 N186 | I170-K184 HydrophobicContact CD1-CD 4.44Å; P178-K184 HydrophobicContact CB-CB 4.39Å; P178-K184 HydrophobicContact CG-CB 3.68Å; P178-K184 HydrophobicContact CG-CD 3.79Å; P178-K184 HydrophobicContact CG-CG 4.07Å; K184-N186 VanDerWaalsContact CD-OD1 3.28Å; K184-N186 WeakPolarHBondContact CD-OD1 3.39Å; K184-N186 WeakPolarHBondContact CE-OD1 3.4Å; K184-N186 PolarHBondContact O-N 2.85Å |
| 185 | I | 91.4 | Very high | 84.6 | Confident | 20 Ų | 20 | 52.9 Ų | 52.9 | 10% | 0.103 | 30% | 0.302 | C | S | . | . | trans | -74.2 | 109.2 | 167.1 | -55.6 | 179 | 0 | 0 | 0 | 107 | I110 V112 K187 Y199 L200 Y202 | I110-I185 HydrophobicContact CB-CD1 4.13Å; I110-I185 HydrophobicContact CG2-CD1 3.79Å; I110-I185 WeakPolarHBondContact O-CD1 3.37Å; V112-I185 HydrophobicContact CB-CG2 4.28Å; V112-I185 HydrophobicContact CG2-CD1 4.34Å; V112-I185 HydrophobicContact CG2-CG2 3.88Å; I185-K187 HydrophobicContact CG2-CB 4.44Å; I185-K187 PolarHBondContact O-N 3.46Å; I185-Y199 WeakPolarHBondContact O-CD1 3.35Å; I185-L200 HydrophobicContact CD1-CB 4.27Å; I185-L200 HydrophobicContact CD1-CD2 4.06Å; I185-L200 HydrophobicContact CD1-CG 4.37Å; I185-L200 PolarHBondContact N-O 3.37Å; I185-Y202 HydrophobicContact CD1-CD1 4.21Å; I185-Y202 HydrophobicContact CD1-CE1 3.96Å; I185-Y202 HydrophobicContact CG1-CD1 4.09Å; I185-Y202 HydrophobicContact CG1-CE1 3.64Å | ||
| 186 | N | 86.3 | Confident | 84.7 | Confident | 133 Ų | 133 | 50 Ų | 50 | 71% | 0.711 | 27% | 0.272 | S | S | * | . | trans | -76.1 | 48.3 | -175.9 | -74.8 | -34.2 | 0 | 0 | 0 | 113.4 | K184 | K184-N186 VanDerWaalsContact CD-OD1 3.28Å; K184-N186 WeakPolarHBondContact CD-OD1 3.39Å; K184-N186 WeakPolarHBondContact CE-OD1 3.4Å; K184-N186 PolarHBondContact O-N 2.85Å | ||
| 187 | K | 87 | Confident | 84.8 | Confident | 46 Ų | 46 | 52.5 Ų | 52.5 | 20% | 0.2 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -128.7 | 118.9 | 170.2 | -68.7 | -172.6 | -178.9 | 178.7 | 0 | 108.3 | V112 E119 I185 L189 Y199 | V112-K187 HydrophobicContact CB-CB 4.4Å; V112-K187 HydrophobicContact CB-CD 4.01Å; V112-K187 HydrophobicContact CG1-CB 4.25Å; V112-K187 HydrophobicContact CG1-CD 4Å; V112-K187 PolarHBondContact O-NZ 2.87Å; E119-K187 VanDerWaalsContact CD-NZ 3.34Å; E119-K187 IonicContact OE1-NZ 2.69Å; E119-K187 PolarHBondContact OE1-NZ 3.3Å; E119-K187 IonicContact OE2-NZ 3.94Å; E119-K187 PolarHBondContact OE2-NZ 3.33Å; I185-K187 HydrophobicContact CG2-CB 4.44Å; I185-K187 PolarHBondContact O-N 3.46Å; K187-L189 PolarHBondContact O-N 3.45Å; K187-Y199 WeakPolarHBondContact O-CD1 3.41Å |
| 188 | N | 88.4 | Confident | 85.2 | Confident | 31 Ų | 31 | 48 Ų | 48 | 17% | 0.166 | 26% | 0.258 | C | S | . | . | trans | -65.7 | 123.4 | 172.7 | -177.2 | 5.1 | 0 | 0 | 0 | 107.9 | N190 D197 V198 Y199 | N188-N190 VanDerWaalsContact C-N 3.33Å; N188-N190 PolarHBondContact ND2-O 3.4Å; N188-N190 PolarHBondContact OD1-N 3.49Å; N188-N190 PolarHBondContact OD1-O 2.85Å; N188-D197 PolarHBondContact ND2-OD1 2.86Å; N188-V198 WeakPolarHBondContact CA-O 3.43Å; N188-V198 PolarHBondContact OD1-N 3.29Å; N188-V198 PolarHBondContact OD1-O 2.94Å; N188-Y199 HydrophobicContact CB-CE1 4.08Å | ||
| 189 | L | 89.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -74.9 | -28.8 | -179.6 | -58.9 | -179.5 | 0 | 0 | 0 | 111.4 | L84 V112 V139 L146 K187 V198 L200 | L84-L189 HydrophobicContact CD2-CD1 3.84Å; V112-L189 HydrophobicContact CB-CD2 4.47Å; V112-L189 HydrophobicContact CG1-CD2 3.99Å; V112-L189 HydrophobicContact CG2-CD2 3.61Å; V139-L189 HydrophobicContact CG2-CD2 4.39Å; L146-L189 HydrophobicContact CD2-CB 4.43Å; L146-L189 HydrophobicContact CD2-CD2 3.63Å; K187-L189 PolarHBondContact O-N 3.45Å; L189-V198 PolarHBondContact N-O 2.93Å; L189-L200 HydrophobicContact CD1-CB 4.2Å |
| 190 | N | 86.3 | Confident | 86 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | trans | -101.6 | 93.6 | -178.9 | -174.3 | -1.8 | 0 | 0 | 0 | 110.3 | H86 S88 N141 N188 S196 V198 | H86-N190 PolarHBondContact O-ND2 3.08Å; S88-N190 PolarHBondContact OG-ND2 3.43Å; S88-N190 PolarHBondContact OG-OD1 3.46Å; N141-N190 PolarHBondContact ND2-OD1 3.49Å; N141-N190 PolarHBondContact OD1-OD1 2.82Å; N188-N190 VanDerWaalsContact C-N 3.33Å; N188-N190 PolarHBondContact ND2-O 3.4Å; N188-N190 PolarHBondContact OD1-N 3.49Å; N188-N190 PolarHBondContact OD1-O 2.85Å; N190-S196 WeakPolarHBondContact CB-O 3.46Å; N190-S196 PolarHBondContact ND2-N 3.12Å; N190-S196 PolarHBondContact ND2-O 3.21Å; N190-V198 HydrophobicContact CB-CB 4.34Å; N190-V198 HydrophobicContact CB-CG2 3.93Å | ||
| 191 | R | 78.6 | Confident | 86.7 | Confident | 107 Ų | 107 | 44.7 Ų | 44.7 | 40% | 0.404 | 24% | 0.236 | S | C | . | . | trans | -96.2 | 17.3 | -177.1 | -58 | -175.1 | 169.7 | -168.7 | -3.6 | 114.2 | C114 N140 N141 E144 | C114-R191 PolarHBondContact SG-NH2 3.42Å; N140-R191 WeakPolarHBondContact OD1-CB 3.43Å; N140-R191 PolarHBondContact OD1-N 3.42Å; N141-R191 PolarHBondContact OD1-N 3.3Å; E144-R191 IonicContact OE2-NH1 2.65Å | ||
| 192 | G | 72.9 | Confident | 87.2 | Confident | 25 Ų | 25 | 44.8 Ų | 44.8 | 26% | 0.258 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -70.3 | 158.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | N141 V194 | N141-G192 WeakPolarHBondContact ND2-CA 3.35Å; N141-G192 VanDerWaalsContact OD1-CA 3.29Å; N141-G192 WeakPolarHBondContact OD1-CA 3.42Å; N141-G192 PolarHBondContact OD1-N 2.65Å; G192-V194 PolarHBondContact O-N 3.26Å |
| 193 | L | 74.5 | Confident | 87.2 | Confident | 190 Ų | 190 | 45.7 Ų | 45.7 | 100% | 0.995 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -59.4 | -27.7 | 174 | -81 | 152.7 | 0 | 0 | 0 | 112.9 | ||
| 194 | V | 78.2 | Confident | 87.1 | Confident | 84 Ų | 84 | 45.4 Ų | 45.4 | 51% | 0.509 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -135.8 | 119.9 | 179.2 | -175.6 | 0 | 0 | 0 | 0 | 107.3 | S88 I89 G192 | S88-V194 WeakPolarHBondContact CA-O 3.44Å; S88-V194 PolarHBondContact OG-O 2.87Å; I89-V194 HydrophobicContact CD1-CB 4.42Å; I89-V194 HydrophobicContact CD1-CG1 3.86Å; I89-V194 HydrophobicContact CG1-CG1 4.15Å; G192-V194 PolarHBondContact O-N 3.26Å |
| 195 | G | 82.5 | Confident | 86.4 | Confident | 35 Ų | 35 | 43 Ų | 43 | 36% | 0.361 | 23% | 0.229 | S | C | . | . | trans | 174.4 | 169 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 196 | S | 87.6 | Confident | 85.5 | Confident | 4 Ų | 4 | 43.9 Ų | 43.9 | 3% | 0.028 | 23% | 0.234 | C | C | . | . | trans | -81.8 | 154.6 | 167.2 | -76.7 | 0 | 0 | 0 | 0 | 111.8 | H86 N173 N190 V198 | H86-S196 PolarHBondContact ND1-OG 2.98Å; H86-S196 WeakPolarHBondContact O-CB 3.49Å; H86-S196 PolarHBondContact O-N 3.11Å; N173-S196 VanDerWaalsContact ND2-CA 3.29Å; N173-S196 WeakPolarHBondContact ND2-CA 3.28Å; N173-S196 WeakPolarHBondContact ND2-CB 3.08Å; N173-S196 PolarHBondContact ND2-OG 3.16Å; N173-S196 WeakPolarHBondContact OD1-CB 3.2Å; N173-S196 PolarHBondContact OD1-OG 3.02Å; N190-S196 WeakPolarHBondContact CB-O 3.46Å; N190-S196 PolarHBondContact ND2-N 3.12Å; N190-S196 PolarHBondContact ND2-O 3.21Å; S196-V198 PolarHBondContact O-N 3.34Å; S196-V198 VanDerWaalsContact O-N 3.16Å | ||
| 197 | D | 90 | Very high | 84.5 | Confident | 70 Ų | 70 | 38.8 Ų | 38.8 | 37% | 0.374 | 21% | 0.209 | S | C | . | . | trans | -78.2 | 96.7 | 169.2 | -66.4 | -37.2 | 0 | 0 | 0 | 109.8 | L171 A172 N173 N188 Y199 | L171-D197 WeakPolarHBondContact CA-O 3.45Å; A172-D197 HydrophobicContact CB-CB 4.07Å; A172-D197 PolarHBondContact N-O 2.81Å; N173-D197 HydrophobicContact CB-CB 4.5Å; N188-D197 PolarHBondContact ND2-OD1 2.86Å; D197-Y199 HydrophobicContact CB-CE2 3.91Å | ||
| 198 | V | 93.1 | Very high | 83.4 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 127.9 | -174.3 | -168.6 | 0 | 0 | 0 | 0 | 110.6 | L84 H86 V169 L171 N188 L189 N190 S196 | L84-V198 HydrophobicContact CD2-CG1 4.44Å; H86-V198 HydrophobicContact CB-CG2 4.13Å; V169-V198 HydrophobicContact CG1-CG1 3.44Å; V169-V198 VanDerWaalsContact CG1-CG1 3.44Å; L171-V198 HydrophobicContact CD2-CB 4.39Å; L171-V198 HydrophobicContact CD2-CG1 4.26Å; L171-V198 HydrophobicContact CD2-CG2 3.72Å; N188-V198 WeakPolarHBondContact CA-O 3.43Å; N188-V198 PolarHBondContact OD1-N 3.29Å; N188-V198 PolarHBondContact OD1-O 2.94Å; L189-V198 PolarHBondContact N-O 2.93Å; N190-V198 HydrophobicContact CB-CB 4.34Å; N190-V198 HydrophobicContact CB-CG2 3.93Å; S196-V198 PolarHBondContact O-N 3.34Å; S196-V198 VanDerWaalsContact O-N 3.16Å |
| 199 | Y | 94.1 | Very high | 82.2 | Confident | 41 Ų | 41 | 41 Ų | 41 | 16% | 0.161 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 141.1 | 178.4 | -62.9 | -86.4 | 0 | 0 | 0 | 111.9 | V169 I170 A172 I185 K187 N188 D197 | V169-Y199 WeakPolarHBondContact CA-O 3.26Å; I170-Y199 PolarHBondContact N-O 2.97Å; I170-Y199 PolarHBondContact O-N 2.68Å; A172-Y199 HydrophobicContact CB-CD2 3.92Å; A172-Y199 HydrophobicContact CB-CE2 3.7Å; I185-Y199 WeakPolarHBondContact O-CD1 3.35Å; K187-Y199 WeakPolarHBondContact O-CD1 3.41Å; N188-Y199 HydrophobicContact CB-CE1 4.08Å; D197-Y199 HydrophobicContact CB-CE2 3.91Å |
| 200 | L | 95 | Very high | 81.5 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 135.7 | 170.1 | -169.8 | 62.6 | 0 | 0 | 0 | 110.2 | L96 I110 I148 I167 V169 I185 L189 | L96-L200 HydrophobicContact CD2-CD1 3.59Å; L96-L200 HydrophobicContact CD2-CD2 4.11Å; I110-L200 HydrophobicContact CG2-CD2 3.72Å; I148-L200 HydrophobicContact CD1-CD2 4.49Å; I167-L200 HydrophobicContact CG2-CD1 3.55Å; I167-L200 HydrophobicContact CG2-CG 4.35Å; V169-L200 HydrophobicContact CG2-CD1 4.09Å; I185-L200 HydrophobicContact CD1-CB 4.27Å; I185-L200 HydrophobicContact CD1-CD2 4.06Å; I185-L200 HydrophobicContact CD1-CG 4.37Å; I185-L200 PolarHBondContact N-O 3.37Å; L189-L200 HydrophobicContact CD1-CB 4.2Å |
| 201 | C | 94.6 | Very high | 81.3 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 142.6 | 178.3 | -68.8 | 0 | 0 | 0 | 0 | 109.7 | I167 C168 F182 Y183 | I167-C201 CarbonylContact C-O 3.59Å; I167-C201 WeakPolarHBondContact CA-O 3.07Å; C168-C201 PolarHBondContact N-O 3.48Å; C168-C201 PolarHBondContact O-N 3.43Å; F182-C201 HydrophobicContact CB-CB 4.14Å; F182-C201 HydrophobicContact CD1-CB 4.21Å; Y183-C201 CarbonylContact O-C 3.53Å; Y183-C201 WeakPolarHBondContact O-CA 3.13Å |
| 202 | Y | 93.9 | Very high | 81.6 | Confident | 18 Ų | 18 | 43.4 Ų | 43.4 | 7% | 0.071 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 148.6 | -179.5 | 65.5 | -74.3 | 0 | 0 | 0 | 111.9 | D109 I110 V164 D166 F182 Y183 I185 K204 | D109-Y202 PolarHBondContact OD1-OH 3.01Å; I110-Y202 HydrophobicContact CB-CD1 4.28Å; I110-Y202 HydrophobicContact CB-CE1 4.3Å; I110-Y202 HydrophobicContact CB-CE2 4.47Å; I110-Y202 HydrophobicContact CB-CG 4.43Å; I110-Y202 HydrophobicContact CD1-CD2 4.34Å; I110-Y202 HydrophobicContact CD1-CG 4.12Å; I110-Y202 HydrophobicContact CG1-CD2 4.37Å; I110-Y202 HydrophobicContact CG1-CG 4.45Å; V164-Y202 HydrophobicContact CG1-CD2 4.09Å; V164-Y202 HydrophobicContact CG2-CD2 3.82Å; V164-Y202 HydrophobicContact CG2-CE2 4.19Å; D166-Y202 CarbonylContact O-C 3.58Å; D166-Y202 WeakPolarHBondContact O-CA 3.25Å; D166-Y202 WeakPolarHBondContact O-CB 3.31Å; F182-Y202 CarbonylContact C-O 3.54Å; F182-Y202 WeakPolarHBondContact CA-O 3.47Å; Y183-Y202 WeakPolarHBondContact CD2-O 3.41Å; Y183-Y202 PolarHBondContact N-O 2.92Å; Y183-Y202 PolarHBondContact O-N 3.34Å; I185-Y202 HydrophobicContact CD1-CD1 4.21Å; I185-Y202 HydrophobicContact CD1-CE1 3.96Å; I185-Y202 HydrophobicContact CG1-CD1 4.09Å; I185-Y202 HydrophobicContact CG1-CE1 3.64Å; Y202-K204 HydrophobicContact CD2-CG 4.4Å; Y202-K204 HydrophobicContact CE2-CD 4.48Å; Y202-K204 HydrophobicContact CE2-CG 4.24Å |
| 203 | K | 88.2 | Confident | 82.2 | Confident | 38 Ų | 38 | 43.6 Ų | 43.6 | 17% | 0.165 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 140.2 | 179.1 | -174.9 | 178.2 | 178.2 | -179.6 | 0 | 110.1 | V164 S165 D166 T181 F182 | V164-K203 WeakPolarHBondContact CA-O 3.44Å; S165-K203 PolarHBondContact N-O 3.14Å; S165-K203 PolarHBondContact OG-O 3.49Å; D166-K203 HydrophobicContact CB-CB 4.07Å; D166-K203 PolarHBondContact O-N 2.98Å; T181-K203 WeakPolarHBondContact OG1-CD 3.09Å; T181-K203 VanDerWaalsContact OG1-CE 3.3Å; T181-K203 WeakPolarHBondContact OG1-CE 3.14Å; F182-K203 HydrophobicContact CD1-CB 4.2Å; F182-K203 HydrophobicContact CD2-CB 4.15Å; F182-K203 HydrophobicContact CE1-CB 4.07Å; F182-K203 HydrophobicContact CE2-CB 4.03Å; F182-K203 HydrophobicContact CE2-CD 4.27Å; F182-K203 HydrophobicContact CG-CB 4.25Å; F182-K203 HydrophobicContact CZ-CB 3.99Å |
| 204 | K | 86.7 | Confident | 83 | Confident | 39 Ų | 39 | 35.3 Ų | 35.3 | 17% | 0.17 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 137.8 | 169 | -60.9 | -172.1 | -176.8 | -167 | 0 | 109.9 | V108 D109 F162 S163 Y183 Y202 | V108-K204 WeakPolarHBondContact O-CE 3.47Å; V108-K204 PolarHBondContact O-NZ 2.87Å; D109-K204 VanDerWaalsContact CG-NZ 3.32Å; D109-K204 WeakPolarHBondContact OD1-CE 3.24Å; D109-K204 IonicContact OD1-NZ 2.83Å; D109-K204 PolarHBondContact OD1-NZ 3.35Å; D109-K204 IonicContact OD2-NZ 3.57Å; F162-K204 HydrophobicContact CB-CB 4.34Å; S163-K204 CarbonylContact O-C 3.55Å; S163-K204 VanDerWaalsContact O-CA 3.26Å; S163-K204 WeakPolarHBondContact O-CA 3.34Å; Y183-K204 HydrophobicContact CD2-CD 4.43Å; Y183-K204 HydrophobicContact CD2-CG 4.04Å; Y183-K204 HydrophobicContact CE2-CB 3.93Å; Y183-K204 HydrophobicContact CE2-CD 3.96Å; Y183-K204 HydrophobicContact CE2-CG 3.75Å; Y202-K204 HydrophobicContact CD2-CG 4.4Å; Y202-K204 HydrophobicContact CE2-CD 4.48Å; Y202-K204 HydrophobicContact CE2-CG 4.24Å |
| 205 | S | 76.7 | Confident | 83.5 | Confident | 16 Ų | 16 | 35.2 Ų | 35.2 | 11% | 0.112 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 164.1 | 175.5 | 58.9 | 0 | 0 | 0 | 0 | 110.6 | F162 S163 S165 S207 E493 | F162-S205 CarbonylContact C-O 3.56Å; F162-S205 VanDerWaalsContact CA-O 3.27Å; F162-S205 WeakPolarHBondContact CA-O 3.22Å; S163-S205 PolarHBondContact N-O 3.38Å; S163-S205 PolarHBondContact O-N 3.49Å; S165-S205 WeakPolarHBondContact CB-OG 3.03Å; S165-S205 WeakPolarHBondContact OG-CB 3.45Å; S165-S205 PolarHBondContact OG-OG 3.34Å; S205-S207 PolarHBondContact O-N 3.24Å; S205-E493 VanDerWaalsContact CA-OE1 3.25Å; S205-E493 WeakPolarHBondContact CA-OE1 3.35Å; S205-E493 WeakPolarHBondContact CB-OE1 3.43Å |
| 206 | L | 72.9 | Confident | 84.1 | Confident | 39 Ų | 39 | 34 Ų | 34 | 20% | 0.204 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 135.9 | 172.9 | -158 | 77.2 | 0 | 0 | 0 | 108.5 | N160 F162 | N160-L206 HydrophobicContact CB-CD1 4.13Å; N160-L206 WeakPolarHBondContact O-CD1 3.49Å; F162-L206 HydrophobicContact CD1-CB 4.36Å; F162-L206 HydrophobicContact CD1-CD1 3.97Å; F162-L206 HydrophobicContact CE1-CB 4.2Å; F162-L206 HydrophobicContact CE1-CD1 3.5Å; F162-L206 HydrophobicContact CE1-CG 4.49Å; F162-L206 HydrophobicContact CZ-CD1 4.14Å |
| 207 | S | 65.3 | Low | 84.4 | Confident | 26 Ų | 26 | 34.5 Ų | 34.5 | 18% | 0.182 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -68.7 | 141.4 | 172.2 | -53.5 | 0 | 0 | 0 | 0 | 108.9 | L161 S163 S205 V209 | L161-S207 PolarHBondContact O-N 3.14Å; L161-S207 PolarHBondContact O-OG 3.31Å; S163-S207 WeakPolarHBondContact CB-OG 3.43Å; S163-S207 PolarHBondContact OG-OG 3.46Å; S205-S207 PolarHBondContact O-N 3.24Å; S207-V209 PolarHBondContact O-N 2.76Å |
| 208 | N | 61.9 | Low | 84.6 | Confident | 95 Ų | 95 | 34.5 Ų | 34.5 | 51% | 0.508 | 18% | 0.178 | S | C | . | . | P | Polyproline II helix | trans | -59.9 | 123.2 | -176.6 | -82.6 | -8.3 | 0 | 0 | 0 | 112.1 | V48 | V48-N208 WeakPolarHBondContact CB-ND2 3.39Å; V48-N208 WeakPolarHBondContact CG1-ND2 3.45Å; V48-N208 WeakPolarHBondContact CG1-OD1 3.48Å |
| 209 | V | 64.8 | Low | 84.7 | Confident | 28 Ų | 28 | 37.2 Ų | 37.2 | 17% | 0.17 | 19% | 0.192 | C | C | . | . | trans | -120.2 | 127.4 | 169.4 | -173.5 | 0 | 0 | 0 | 0 | 107.1 | S159 S207 R211 E248 C249 | S159-V209 VanDerWaalsContact O-CG2 3.24Å; S159-V209 WeakPolarHBondContact O-CG2 3.35Å; S207-V209 PolarHBondContact O-N 2.76Å; V209-R211 PolarHBondContact O-N 3.1Å; V209-R211 VanDerWaalsContact O-N 3.11Å; V209-E248 HydrophobicContact CG1-CB 4.09Å; V209-E248 HydrophobicContact CG1-CG 4.45Å; V209-C249 WeakPolarHBondContact CG1-O 3.12Å | ||
| 210 | N | 73.1 | Confident | 84.7 | Confident | 83 Ų | 83 | 36.5 Ų | 36.5 | 44% | 0.444 | 19% | 0.191 | S | C | . | . | trans | -64.2 | 115.1 | 172.6 | -70.4 | -5 | 0 | 0 | 0 | 107.9 | C249 L297 | N210-C249 HydrophobicContact CB-CB 4.27Å; N210-C249 PolarHBondContact O-N 3.05Å; N210-L297 HydrophobicContact CB-CD2 4.34Å; N210-L297 WeakPolarHBondContact CB-O 3.4Å; N210-L297 PolarHBondContact ND2-O 3.43Å; N210-L297 WeakPolarHBondContact O-CD2 3.35Å | ||
| 211 | R | 82.3 | Confident | 84.6 | Confident | 77 Ų | 77 | 39 Ų | 39 | 29% | 0.291 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 152 | -174.2 | 70.6 | -179.6 | -177.3 | -174.3 | -2.2 | 112.1 | V209 I247 E248 | V209-R211 PolarHBondContact O-N 3.1Å; V209-R211 VanDerWaalsContact O-N 3.11Å; R211-I247 CarbonylContact C-O 2.86Å; R211-I247 WeakPolarHBondContact CA-O 3.05Å; R211-E248 HydrophobicContact CB-CG 3.96Å |
| 212 | I | 84.9 | Confident | 84.5 | Confident | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.015 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 135.6 | 167.8 | -50 | 169.8 | 0 | 0 | 0 | 107.7 | E33 Y214 L246 I247 Q293 L297 | E33-I212 HydrophobicContact CG-CG2 4.22Å; I212-Y214 HydrophobicContact CB-CE2 3.86Å; I212-Y214 HydrophobicContact CG2-CD2 4.14Å; I212-Y214 HydrophobicContact CG2-CE1 4.14Å; I212-Y214 HydrophobicContact CG2-CE2 3.47Å; I212-Y214 VanDerWaalsContact CG2-CE2 3.47Å; I212-Y214 VanDerWaalsContact CG2-CZ 3.48Å; I212-L246 CarbonylContact O-C 3.54Å; I212-L246 VanDerWaalsContact O-CA 3.3Å; I212-L246 WeakPolarHBondContact O-CA 3.42Å; I212-I247 PolarHBondContact N-O 3.21Å; I212-I247 PolarHBondContact O-N 3.04Å; I212-Q293 HydrophobicContact CD1-CB 3.72Å; I212-Q293 HydrophobicContact CD1-CG 3.67Å; I212-L297 HydrophobicContact CD1-CD1 4.29Å; I212-L297 HydrophobicContact CD1-CD2 4.33Å; I212-L297 HydrophobicContact CD1-CG 3.85Å; I212-L297 HydrophobicContact CG1-CD2 3.94Å; I212-L297 HydrophobicContact CG1-CG 3.96Å |
| 213 | A | 85.8 | Confident | 84.4 | Confident | 28 Ų | 28 | 38.2 Ų | 38.2 | 23% | 0.231 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 130.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | L34 L246 | L34-A213 HydrophobicContact CB-CB 4.26Å; L34-A213 WeakPolarHBondContact CB-O 3.4Å; L34-A213 HydrophobicContact CD1-CB 4.07Å; L34-A213 PolarHBondContact N-O 3.21Å; A213-L246 HydrophobicContact CB-CD2 3.65Å |
| 214 | Y | 90.7 | Very high | 84.2 | Confident | 16 Ų | 16 | 40.3 Ų | 40.3 | 6% | 0.063 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 156.9 | 178.5 | -63.9 | -81.4 | 0 | 0 | 0 | 111.4 | L27 P31 V32 E33 L34 I212 P216 G244 A245 I247 Q293 | L27-Y214 HydrophobicContact CD1-CD2 3.49Å; L27-Y214 VanDerWaalsContact CD1-CD2 3.49Å; L27-Y214 HydrophobicContact CD1-CE2 4.31Å; L27-Y214 HydrophobicContact CD1-CG 3.64Å; P31-Y214 HydrophobicContact CB-CD1 3.55Å; P31-Y214 HydrophobicContact CB-CE1 3.99Å; P31-Y214 HydrophobicContact CB-CG 3.86Å; P31-Y214 HydrophobicContact CG-CD1 4.31Å; P31-Y214 HydrophobicContact CG-CE1 4.26Å; V32-Y214 CarbonylContact O-C 3.59Å; V32-Y214 WeakPolarHBondContact O-CA 3.21Å; E33-Y214 VanDerWaalsContact CA-CD1 3.45Å; E33-Y214 HydrophobicContact CB-CD1 4.06Å; E33-Y214 HydrophobicContact CB-CE1 4.03Å; E33-Y214 HydrophobicContact CG-CD1 4.48Å; E33-Y214 HydrophobicContact CG-CE1 4.36Å; L34-Y214 WeakPolarHBondContact CD1-O 3.46Å; L34-Y214 VanDerWaalsContact CG-C 3.48Å; I212-Y214 HydrophobicContact CB-CE2 3.86Å; I212-Y214 HydrophobicContact CG2-CD2 4.14Å; I212-Y214 HydrophobicContact CG2-CE1 4.14Å; I212-Y214 HydrophobicContact CG2-CE2 3.47Å; I212-Y214 VanDerWaalsContact CG2-CE2 3.47Å; I212-Y214 VanDerWaalsContact CG2-CZ 3.48Å; Y214-P216 VanDerWaalsContact O-CD 3.25Å; Y214-P216 WeakPolarHBondContact O-CD 3.34Å; Y214-G244 WeakPolarHBondContact O-CA 3.28Å; Y214-A245 WeakPolarHBondContact CB-O 3.3Å; Y214-A245 PolarHBondContact N-O 3.36Å; Y214-A245 PolarHBondContact O-N 3.15Å; Y214-I247 HydrophobicContact CD2-CD1 4.43Å; Y214-I247 HydrophobicContact CD2-CG1 4.36Å; Y214-I247 HydrophobicContact CE2-CD1 3.68Å; Y214-I247 HydrophobicContact CE2-CG1 3.97Å; Y214-Q293 VanDerWaalsContact OH-CG 3.32Å; Y214-Q293 WeakPolarHBondContact OH-CG 3.25Å; Y214-Q293 PolarHBondContact OH-NE2 3.37Å |
| 215 | K | 90.3 | Very high | 84 | Confident | 82 Ų | 82 | 44.1 Ų | 44.1 | 36% | 0.357 | 23% | 0.232 | S | C | . | . | trans | -64.5 | 121.7 | 177.5 | -173.3 | 165.3 | -176 | 139.5 | 0 | 109.6 | P28 V32 L34 G217 D472 | P28-K215 WeakPolarHBondContact CD-O 3.36Å; V32-K215 HydrophobicContact CB-CB 4.47Å; V32-K215 PolarHBondContact O-N 3.35Å; L34-K215 HydrophobicContact CG-CB 4.46Å; K215-G217 PolarHBondContact O-N 2.9Å; K215-D472 IonicContact NZ-OD2 3.1Å; K215-D472 PolarHBondContact NZ-OD2 3.34Å | ||
| 216 | P | 94 | Very high | 84.4 | Confident | 10 Ų | 10 | 47 Ų | 47 | 7% | 0.065 | 25% | 0.246 | C | C | . | . | trans | -58.9 | 135 | 176.1 | -25.2 | 33.5 | 0 | 0 | 0 | 112.2 | Y214 P237 I238 L241 | Y214-P216 VanDerWaalsContact O-CD 3.25Å; Y214-P216 WeakPolarHBondContact O-CD 3.34Å; P216-P237 HydrophobicContact CB-CB 3.97Å; P216-P237 WeakPolarHBondContact CB-O 3.38Å; P216-I238 HydrophobicContact CG-CG2 4.46Å; P216-L241 HydrophobicContact CB-CB 4.07Å; P216-L241 HydrophobicContact CB-CD1 4.29Å; P216-L241 HydrophobicContact CG-CB 3.68Å; P216-L241 WeakPolarHBondContact CG-O 3.32Å | ||
| 217 | G | 93.9 | Very high | 84.6 | Confident | 15 Ų | 15 | 46.4 Ų | 46.4 | 16% | 0.155 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 158.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A25 G26 K215 L219 | A25-G217 WeakPolarHBondContact CA-O 3.13Å; G26-G217 PolarHBondContact N-O 3.4Å; G26-G217 VanDerWaalsContact N-O 3.12Å; G26-G217 PolarHBondContact O-N 3.5Å; K215-G217 PolarHBondContact O-N 2.9Å; G217-L219 PolarHBondContact O-N 3.26Å |
| 218 | L | 94.3 | Very high | 84.8 | Confident | 70 Ų | 70 | 48.7 Ų | 48.7 | 37% | 0.366 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 111.6 | 167 | -173 | 65.7 | 0 | 0 | 0 | 108.2 | L23 D220 R221 L232 P237 | L23-L218 HydrophobicContact CB-CD1 3.96Å; L23-L218 HydrophobicContact CD2-CD1 4.04Å; L23-L218 HydrophobicContact CG-CD1 4.44Å; L218-D220 WeakPolarHBondContact CD1-O 3.1Å; L218-R221 HydrophobicContact CD1-CB 4.42Å; L218-R221 HydrophobicContact CD2-CB 4.13Å; L218-R221 HydrophobicContact CD2-CG 4.3Å; L218-L232 HydrophobicContact CD2-CD2 4.29Å; L218-P237 HydrophobicContact CB-CG 3.9Å |
| 219 | L | 94.4 | Very high | 85.1 | Confident | 56 Ų | 56 | 48.7 Ų | 48.7 | 29% | 0.293 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | -38.8 | 179.4 | -55.8 | -175.3 | 0 | 0 | 0 | 111.2 | V24 L27 G217 K329 | V24-L219 HydrophobicContact CB-CB 4.36Å; V24-L219 HydrophobicContact CG1-CB 4.18Å; V24-L219 HydrophobicContact CG1-CD1 4.29Å; V24-L219 PolarHBondContact O-N 2.82Å; L27-L219 WeakPolarHBondContact O-CD2 3.18Å; G217-L219 PolarHBondContact O-N 3.26Å; L219-K329 HydrophobicContact CD1-CD 4.36Å; L219-K329 HydrophobicContact CD1-CG 4.45Å |
| 220 | D | 94.3 | Very high | 85.7 | Confident | 26 Ų | 26 | 49 Ų | 49 | 14% | 0.139 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 159.9 | 179.5 | -151.7 | -16.3 | 0 | 0 | 0 | 111.5 | V24 L218 L720 L721 | V24-D220 HydrophobicContact CB-CB 3.96Å; V24-D220 HydrophobicContact CG2-CB 3.98Å; V24-D220 PolarHBondContact N-O 2.83Å; V24-D220 PolarHBondContact O-N 3.46Å; L218-D220 WeakPolarHBondContact CD1-O 3.1Å; D220-L720 HydrophobicContact CB-CD1 4.04Å; D220-L720 WeakPolarHBondContact OD2-CD1 3.45Å; D220-L721 WeakPolarHBondContact OD2-CA 3.4Å; D220-L721 WeakPolarHBondContact OD2-CB 3.42Å; D220-L721 PolarHBondContact OD2-N 2.85Å |
| 221 | R | 94.2 | Very high | 86.2 | Confident | 55 Ų | 55 | 48.6 Ų | 48.6 | 21% | 0.208 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 152.2 | 177.3 | 72.7 | -176.8 | -155 | 159.3 | 3.4 | 113.8 | F22 L23 L218 L224 D226 | F22-R221 CarbonylContact O-C 3.53Å; F22-R221 WeakPolarHBondContact O-CA 3.29Å; L23-R221 HydrophobicContact CD2-CB 3.69Å; L218-R221 HydrophobicContact CD1-CB 4.42Å; L218-R221 HydrophobicContact CD2-CB 4.13Å; L218-R221 HydrophobicContact CD2-CG 4.3Å; R221-L224 HydrophobicContact CG-CD2 4.46Å; R221-L224 VanDerWaalsContact CZ-O 3.27Å; R221-L224 PolarHBondContact NE-O 3.14Å; R221-L224 VanDerWaalsContact NE-O 3.08Å; R221-L224 PolarHBondContact NH2-O 3.34Å; R221-D226 IonicContact CZ-OD1 3.14Å; R221-D226 IonicContact NH1-OD1 3.18Å; R221-D226 PolarHBondContact NH1-OD1 2.67Å; R221-D226 IonicContact NH2-OD1 3.35Å; R221-D226 PolarHBondContact NH2-OD1 3.16Å |
| 222 | F | 92.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 132 | 168.1 | -176.2 | -98.3 | 0 | 0 | 0 | 110.7 | Y21 F22 I367 M371 F372 Y723 F726 M728 | Y21-F222 CarbonylContact C-O 3.55Å; Y21-F222 WeakPolarHBondContact CA-O 3.32Å; F22-F222 HydrophobicContact CB-CB 4.5Å; F22-F222 PolarHBondContact N-O 3.42Å; F22-F222 PolarHBondContact O-N 3.49Å; F222-I367 HydrophobicContact CD1-CG2 3.96Å; F222-M371 HydrophobicContact CD1-SD 3.96Å; F222-M371 HydrophobicContact CE1-SD 3.69Å; F222-F372 AromaticContact CE1-CE2 3.63Å; F222-F372 HydrophobicContact CE1-CE2 3.63Å; F222-F372 HydrophobicContact CE1-CZ 4.2Å; F222-F372 AromaticContact CZ-CE2 3.72Å; F222-F372 HydrophobicContact CZ-CE2 3.72Å; F222-F372 HydrophobicContact CZ-CZ 4.36Å; F222-Y723 HydrophobicContact CD2-CD2 4.26Å; F222-Y723 AromaticContact CD2-CE2 3.85Å; F222-Y723 HydrophobicContact CD2-CE2 3.85Å; F222-Y723 HydrophobicContact CE2-CD2 4.36Å; F222-Y723 AromaticContact CE2-CE2 3.75Å; F222-Y723 HydrophobicContact CE2-CE2 3.75Å; F222-F726 HydrophobicContact CB-CE1 3.9Å; F222-F726 HydrophobicContact CB-CZ 3.8Å; F222-F726 HydrophobicContact CD1-CD1 4.05Å; F222-F726 AromaticContact CD1-CE1 3.7Å; F222-F726 HydrophobicContact CD1-CE1 3.7Å; F222-F726 HydrophobicContact CD1-CZ 4.42Å; F222-F726 AromaticContact CD2-CD1 3.7Å; F222-F726 HydrophobicContact CD2-CD1 3.7Å; F222-F726 HydrophobicContact CD2-CD2 4.05Å; F222-F726 AromaticContact CD2-CE1 3.46Å; F222-F726 HydrophobicContact CD2-CE1 3.46Å; F222-F726 VanDerWaalsContact CD2-CE1 3.46Å; F222-F726 AromaticContact CD2-CE2 3.84Å; F222-F726 HydrophobicContact CD2-CE2 3.84Å; F222-F726 AromaticContact CD2-CG 3.98Å; F222-F726 HydrophobicContact CD2-CG 3.98Å; F222-F726 AromaticContact CD2-CZ 3.53Å; F222-F726 HydrophobicContact CD2-CZ 3.53Å; F222-F726 AromaticContact CE1-CD1 3.87Å; F222-F726 HydrophobicContact CE1-CD1 3.87Å; F222-F726 HydrophobicContact CE1-CE1 4.02Å; F222-F726 HydrophobicContact CE2-CB 4.16Å; F222-F726 AromaticContact CE2-CD1 3.52Å; F222-F726 HydrophobicContact CE2-CD1 3.52Å; F222-F726 HydrophobicContact CE2-CD2 4.03Å; F222-F726 AromaticContact CE2-CE1 3.82Å; F222-F726 HydrophobicContact CE2-CE1 3.82Å; F222-F726 HydrophobicContact CE2-CE2 4.29Å; F222-F726 AromaticContact CE2-CG 3.62Å; F222-F726 HydrophobicContact CE2-CG 3.62Å; F222-F726 HydrophobicContact CE2-CZ 4.19Å; F222-F726 AromaticContact CG-CD1 3.95Å; F222-F726 HydrophobicContact CG-CD1 3.95Å; F222-F726 AromaticContact CG-CE1 3.39Å; F222-F726 HydrophobicContact CG-CE1 3.39Å; F222-F726 HydrophobicContact CG-CE2 4.42Å; F222-F726 AromaticContact CG-CZ 3.66Å; F222-F726 HydrophobicContact CG-CZ 3.66Å; F222-F726 HydrophobicContact CZ-CB 4.34Å; F222-F726 AromaticContact CZ-CD1 3.6Å; F222-F726 HydrophobicContact CZ-CD1 3.6Å; F222-F726 HydrophobicContact CZ-CE1 4.07Å; F222-F726 HydrophobicContact CZ-CG 4.02Å; F222-M728 HydrophobicContact CE2-CG 4.45Å; F222-M728 HydrophobicContact CE2-SD 4.37Å; F222-M728 HydrophobicContact CZ-CE 4.47Å; F222-M728 HydrophobicContact CZ-CG 4.43Å; F222-M728 HydrophobicContact CZ-SD 3.8Å |
| 223 | P | 90.4 | Very high | 86.6 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | S | Bend | cis | -67.8 | 161.8 | -7.5 | 29.6 | -36.1 | 0 | 0 | 0 | 113 | D20 Y21 N225 M371 M735 | D20-P223 WeakPolarHBondContact O-CD 3.44Å; Y21-P223 HydrophobicContact CD1-CG 4.31Å; Y21-P223 HydrophobicContact CE1-CG 4.32Å; P223-N225 VanDerWaalsContact C-N 3.3Å; P223-N225 PolarHBondContact O-N 3.11Å; P223-M371 HydrophobicContact CG-CE 4.47Å; P223-M735 HydrophobicContact CB-CE 3.43Å; P223-M735 VanDerWaalsContact CB-CE 3.43Å; P223-M735 HydrophobicContact CB-SD 4.34Å; P223-M735 HydrophobicContact CG-CE 3.9Å |
| 224 | L | 85.2 | Confident | 86.6 | Confident | 82 Ų | 82 | 53 Ų | 53 | 43% | 0.429 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -71.8 | -23.2 | 179.6 | -73.2 | 174.7 | 0 | 0 | 0 | 113.4 | R221 Y723 | R221-L224 HydrophobicContact CG-CD2 4.46Å; R221-L224 VanDerWaalsContact CZ-O 3.27Å; R221-L224 PolarHBondContact NE-O 3.14Å; R221-L224 VanDerWaalsContact NE-O 3.08Å; R221-L224 PolarHBondContact NH2-O 3.34Å; L224-Y723 HydrophobicContact CB-CE2 4.34Å; L224-Y723 HydrophobicContact CD1-CD2 3.49Å; L224-Y723 VanDerWaalsContact CD1-CD2 3.49Å; L224-Y723 HydrophobicContact CD1-CE2 3.7Å; L224-Y723 HydrophobicContact CD1-CG 4.07Å; L224-Y723 HydrophobicContact CG-CD2 3.8Å; L224-Y723 HydrophobicContact CG-CE2 3.76Å |
| 225 | N | 82.7 | Confident | 86.5 | Confident | 119 Ų | 119 | 56.1 Ų | 56.1 | 64% | 0.636 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -107.1 | 147 | 178.9 | -64.3 | -35.7 | 0 | 0 | 0 | 110.4 | P223 | P223-N225 VanDerWaalsContact C-N 3.3Å; P223-N225 PolarHBondContact O-N 3.11Å |
| 226 | D | 83.6 | Confident | 86.6 | Confident | 76 Ų | 76 | 52.3 Ų | 52.3 | 41% | 0.406 | 29% | 0.294 | S | S | . | . | trans | -68.6 | 140.6 | 176.4 | -72.1 | 1.5 | 0 | 0 | 0 | 111 | R221 A228 P231 | R221-D226 IonicContact CZ-OD1 3.14Å; R221-D226 IonicContact NH1-OD1 3.18Å; R221-D226 PolarHBondContact NH1-OD1 2.67Å; R221-D226 IonicContact NH2-OD1 3.35Å; R221-D226 PolarHBondContact NH2-OD1 3.16Å; D226-A228 PolarHBondContact O-N 2.66Å; D226-P231 HydrophobicContact CB-CB 4.34Å | ||
| 227 | I | 78.7 | Confident | 86.5 | Confident | 27 Ų | 27 | 52.4 Ų | 52.4 | 14% | 0.138 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -74.9 | 120.6 | 169.9 | -62.9 | 153.3 | 0 | 0 | 0 | 107.5 | D20 Y21 E229 Y230 | D20-I227 HydrophobicContact CB-CD1 3.82Å; D20-I227 VanDerWaalsContact O-CD1 3.32Å; D20-I227 WeakPolarHBondContact O-CD1 3.24Å; Y21-I227 HydrophobicContact CE1-CD1 4.1Å; Y21-I227 HydrophobicContact CE1-CG1 4.41Å; Y21-I227 HydrophobicContact CE2-CD1 3.96Å; Y21-I227 WeakPolarHBondContact OH-CB 3.35Å; Y21-I227 PolarHBondContact OH-N 3.35Å; I227-E229 PolarHBondContact O-N 3.25Å; I227-E229 VanDerWaalsContact O-N 3.12Å; I227-Y230 HydrophobicContact CG2-CD2 4.37Å; I227-Y230 CarbonylContact O-C 3.58Å; I227-Y230 PolarHBondContact O-N 3.27Å |
| 228 | A | 69.3 | Low | 86.4 | Confident | 74 Ų | 74 | 51.9 Ų | 51.9 | 61% | 0.612 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -34.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | D226 P737 | D226-A228 PolarHBondContact O-N 2.66Å; A228-P737 HydrophobicContact CB-CB 3.82Å |
| 229 | E | 68.2 | Low | 86.3 | Confident | 94 Ų | 94 | 49.5 Ų | 49.5 | 44% | 0.439 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -30.8 | 178.7 | -67.7 | 168.8 | -176.9 | 0 | 0 | 112.6 | I227 | I227-E229 PolarHBondContact O-N 3.25Å; I227-E229 VanDerWaalsContact O-N 3.12Å |
| 230 | Y | 76.5 | Confident | 86.3 | Confident | 34 Ų | 34 | 46.9 Ų | 46.9 | 13% | 0.133 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -140.3 | 72.7 | -172.6 | -48.1 | -75.3 | 0 | 0 | 0 | 110.2 | Y21 I227 R336 | Y21-Y230 WeakPolarHBondContact CE2-O 3.41Å; Y21-Y230 PolarHBondContact OH-O 3.29Å; I227-Y230 HydrophobicContact CG2-CD2 4.37Å; I227-Y230 CarbonylContact O-C 3.58Å; I227-Y230 PolarHBondContact O-N 3.27Å; Y230-R336 HydrophobicContact CD1-CG 4.48Å; Y230-R336 HydrophobicContact CE1-CG 4.48Å; Y230-R336 VanDerWaalsContact CE2-CD 3.49Å; Y230-R336 VanDerWaalsContact CE2-CZ 3.45Å; Y230-R336 PolarHBondContact OH-NH1 2.94Å |
| 231 | P | 84.1 | Confident | 86.2 | Confident | 76 Ų | 76 | 45.9 Ų | 45.9 | 49% | 0.494 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 141.5 | -179.4 | 26.1 | -34.2 | 0 | 0 | 0 | 110.7 | D226 P233 | D226-P231 HydrophobicContact CB-CB 4.34Å; P231-P233 VanDerWaalsContact O-CD 3.26Å; P231-P233 WeakPolarHBondContact O-CD 3.49Å |
| 232 | L | 87.3 | Confident | 85.9 | Confident | 16 Ų | 16 | 44.2 Ų | 44.2 | 8% | 0.084 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 121.6 | -179.6 | -177.5 | 70.9 | 0 | 0 | 0 | 109.7 | Y21 L23 L218 V234 V236 | Y21-L232 HydrophobicContact CD1-CB 4.33Å; Y21-L232 HydrophobicContact CD1-CD1 4.39Å; Y21-L232 HydrophobicContact CD2-CD1 3.89Å; Y21-L232 HydrophobicContact CE1-CB 3.99Å; Y21-L232 HydrophobicContact CE2-CB 4.17Å; Y21-L232 HydrophobicContact CE2-CD1 4.32Å; Y21-L232 HydrophobicContact CG-CD1 3.93Å; Y21-L232 PolarHBondContact OH-N 3.47Å; L23-L232 HydrophobicContact CD1-CD1 3.94Å; L23-L232 HydrophobicContact CD1-CD2 4.38Å; L23-L232 HydrophobicContact CD2-CD1 4.18Å; L23-L232 HydrophobicContact CD2-CD2 3.57Å; L218-L232 HydrophobicContact CD2-CD2 4.29Å; L232-V234 PolarHBondContact O-N 3.27Å; L232-V236 HydrophobicContact CD1-CG2 3.8Å; L232-V236 HydrophobicContact CG-CG2 4.22Å |
| 233 | P | 87.4 | Confident | 85.5 | Confident | 47 Ų | 47 | 46 Ų | 46 | 31% | 0.305 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 135.3 | 178.7 | -22.2 | 33.9 | 0 | 0 | 0 | 112 | P231 N235 V236 L266 L274 | P231-P233 VanDerWaalsContact O-CD 3.26Å; P231-P233 WeakPolarHBondContact O-CD 3.49Å; P233-N235 PolarHBondContact O-N 3.21Å; P233-N235 VanDerWaalsContact O-N 3.14Å; P233-V236 HydrophobicContact CB-CG2 4Å; P233-V236 HydrophobicContact CG-CG2 4.25Å; P233-V236 WeakPolarHBondContact O-CG2 3.19Å; P233-V236 PolarHBondContact O-N 3.36Å; P233-V236 VanDerWaalsContact O-N 3.12Å; P233-L266 HydrophobicContact CB-CD1 4.19Å; P233-L266 HydrophobicContact CG-CD1 3.89Å; P233-L274 HydrophobicContact CG-CD1 4.15Å |
| 234 | V | 86.2 | Confident | 85.4 | Confident | 137 Ų | 137 | 46 Ų | 46 | 83% | 0.83 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -31.4 | -176.4 | -177.5 | 0 | 0 | 0 | 0 | 112.6 | L232 V236 P237 | L232-V234 PolarHBondContact O-N 3.27Å; V234-V236 VanDerWaalsContact C-N 3.32Å; V234-V236 PolarHBondContact O-N 3.13Å; V234-P237 WeakPolarHBondContact O-CD 3.5Å |
| 235 | N | 87.9 | Confident | 85.8 | Confident | 82 Ų | 82 | 42.1 Ų | 42.1 | 44% | 0.439 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 4.3 | -177.2 | -67.4 | -22.6 | 0 | 0 | 0 | 113.9 | P233 P237 I238 F239 | P233-N235 PolarHBondContact O-N 3.21Å; P233-N235 VanDerWaalsContact O-N 3.14Å; N235-P237 VanDerWaalsContact C-N 3.31Å; N235-I238 HydrophobicContact CB-CD1 4.12Å; N235-I238 HydrophobicContact CB-CG1 4.03Å; N235-I238 WeakPolarHBondContact O-CG1 3.4Å; N235-I238 PolarHBondContact O-N 2.73Å; N235-F239 HydrophobicContact CB-CE2 4.27Å; N235-F239 VanDerWaalsContact O-CD2 3.27Å; N235-F239 WeakPolarHBondContact O-CD2 3.46Å |
| 236 | V | 92.3 | Very high | 86.2 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -52.4 | -40.8 | -179.2 | 177.2 | 0 | 0 | 0 | 0 | 113.8 | L23 L232 P233 V234 I238 F239 C240 F264 L266 V334 | L23-V236 HydrophobicContact CD1-CB 4.25Å; L23-V236 HydrophobicContact CD1-CG1 3.36Å; L232-V236 HydrophobicContact CD1-CG2 3.8Å; L232-V236 HydrophobicContact CG-CG2 4.22Å; P233-V236 HydrophobicContact CB-CG2 4Å; P233-V236 HydrophobicContact CG-CG2 4.25Å; P233-V236 WeakPolarHBondContact O-CG2 3.19Å; P233-V236 PolarHBondContact O-N 3.36Å; P233-V236 VanDerWaalsContact O-N 3.12Å; V234-V236 VanDerWaalsContact C-N 3.32Å; V234-V236 PolarHBondContact O-N 3.13Å; V236-I238 VanDerWaalsContact C-N 3.29Å; V236-I238 PolarHBondContact O-N 3.08Å; V236-F239 PolarHBondContact O-N 3.13Å; V236-C240 PolarHBondContact O-N 2.82Å; V236-C240 VanDerWaalsContact O-N 3.15Å; V236-C240 PolarHBondContact O-SG 2.8Å; V236-F264 HydrophobicContact CG1-CE2 4.26Å; V236-F264 HydrophobicContact CG1-CZ 3.97Å; V236-L266 HydrophobicContact CB-CD1 4.45Å; V236-L266 HydrophobicContact CG2-CD1 3.45Å; V236-L266 VanDerWaalsContact CG2-CD1 3.45Å; V236-V334 HydrophobicContact CG1-CG2 4.29Å |
| 237 | P | 93.7 | Very high | 86.5 | Confident | 12 Ų | 12 | 33.1 Ų | 33.1 | 8% | 0.078 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.4 | -34.4 | -179.5 | -27.3 | 36.9 | 0 | 0 | 0 | 114.7 | A25 P216 L218 V234 N235 F239 C240 L241 | A25-P237 HydrophobicContact CB-CB 4.21Å; P216-P237 HydrophobicContact CB-CB 3.97Å; P216-P237 WeakPolarHBondContact CB-O 3.38Å; L218-P237 HydrophobicContact CB-CG 3.9Å; V234-P237 WeakPolarHBondContact O-CD 3.5Å; N235-P237 VanDerWaalsContact C-N 3.31Å; P237-F239 PolarHBondContact O-N 3Å; P237-C240 WeakPolarHBondContact O-CB 3.37Å; P237-C240 PolarHBondContact O-N 3.24Å; P237-L241 PolarHBondContact O-N 2.71Å; P237-L241 VanDerWaalsContact O-N 3.08Å |
| 238 | I | 91.7 | Very high | 86.9 | Confident | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.7 | -23.7 | 178.4 | 62.9 | 158.5 | 0 | 0 | 0 | 112.1 | P216 N235 V236 L241 P242 P470 L473 | P216-I238 HydrophobicContact CG-CG2 4.46Å; N235-I238 HydrophobicContact CB-CD1 4.12Å; N235-I238 HydrophobicContact CB-CG1 4.03Å; N235-I238 WeakPolarHBondContact O-CG1 3.4Å; N235-I238 PolarHBondContact O-N 2.73Å; V236-I238 VanDerWaalsContact C-N 3.29Å; V236-I238 PolarHBondContact O-N 3.08Å; I238-L241 CarbonylContact O-C 3.57Å; I238-P242 WeakPolarHBondContact O-CA 3.28Å; I238-P470 HydrophobicContact CB-CB 4.17Å; I238-P470 HydrophobicContact CB-CG 4.23Å; I238-P470 HydrophobicContact CD1-CB 4.15Å; I238-P470 HydrophobicContact CD1-CG 3.94Å; I238-P470 HydrophobicContact CG1-CB 4.38Å; I238-P470 HydrophobicContact CG1-CG 4.03Å; I238-P470 WeakPolarHBondContact O-CB 3.47Å; I238-P470 VanDerWaalsContact O-CG 3.26Å; I238-P470 WeakPolarHBondContact O-CG 3.38Å; I238-L473 HydrophobicContact CD1-CD1 3.79Å; I238-L473 HydrophobicContact CD1-CD2 4.34Å; I238-L473 HydrophobicContact CD1-CG 3.82Å |
| 239 | F | 92.1 | Very high | 87.6 | Confident | 21 Ų | 21 | 29.2 Ų | 29.2 | 9% | 0.092 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -83.9 | -30 | 173.5 | -66.6 | -86.7 | 0 | 0 | 0 | 112.7 | N235 V236 P237 L241 F264 L266 I466 Q468 P470 L473 | N235-F239 HydrophobicContact CB-CE2 4.27Å; N235-F239 VanDerWaalsContact O-CD2 3.27Å; N235-F239 WeakPolarHBondContact O-CD2 3.46Å; V236-F239 PolarHBondContact O-N 3.13Å; P237-F239 PolarHBondContact O-N 3Å; F239-L241 VanDerWaalsContact C-N 3.33Å; F239-F264 HydrophobicContact CB-CB 4.17Å; F239-F264 HydrophobicContact CB-CD1 3.92Å; F239-F264 HydrophobicContact CB-CD2 3.63Å; F239-F264 HydrophobicContact CB-CE1 4.18Å; F239-F264 HydrophobicContact CB-CE2 3.89Å; F239-F264 HydrophobicContact CB-CG 3.64Å; F239-F264 HydrophobicContact CB-CZ 4.15Å; F239-F264 HydrophobicContact CD1-CB 4.39Å; F239-F264 HydrophobicContact CG-CD2 4.22Å; F239-F264 HydrophobicContact CG-CG 4.46Å; F239-L266 HydrophobicContact CB-CD2 4.44Å; F239-L266 HydrophobicContact CD1-CD2 3.99Å; F239-L266 HydrophobicContact CD2-CD2 3.42Å; F239-L266 VanDerWaalsContact CD2-CD2 3.42Å; F239-L266 HydrophobicContact CE1-CD2 4.04Å; F239-L266 HydrophobicContact CE2-CD2 3.5Å; F239-L266 VanDerWaalsContact CE2-CD2 3.5Å; F239-L266 HydrophobicContact CG-CD2 3.69Å; F239-L266 HydrophobicContact CZ-CD2 3.81Å; F239-I466 HydrophobicContact CE1-CG2 3.96Å; F239-Q468 WeakPolarHBondContact CD1-O 3.23Å; F239-P470 HydrophobicContact CD1-CG 3.71Å; F239-P470 HydrophobicContact CD2-CG 4.42Å; F239-P470 HydrophobicContact CE1-CG 3.83Å; F239-P470 HydrophobicContact CG-CG 4.03Å; F239-P470 HydrophobicContact CZ-CG 4.23Å; F239-L473 HydrophobicContact CE2-CD1 4.37Å; F239-L473 HydrophobicContact CZ-CD1 3.8Å |
| 240 | C | 93.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.7 | -38.2 | 171.2 | -65.6 | 0 | 0 | 0 | 0 | 111.9 | A25 V236 P237 C330 C332 | A25-C240 HydrophobicContact CB-CB 3.93Å; V236-C240 PolarHBondContact O-N 2.82Å; V236-C240 VanDerWaalsContact O-N 3.15Å; V236-C240 PolarHBondContact O-SG 2.8Å; P237-C240 WeakPolarHBondContact O-CB 3.37Å; P237-C240 PolarHBondContact O-N 3.24Å; C240-C330 HydrophobicContact CB-CB 4.27Å; C240-C332 VanDerWaalsContact SG-SG 3.65Å |
| 241 | L | 92.6 | Very high | 88.2 | Confident | 5 Ų | 5 | 24.3 Ų | 24.3 | 3% | 0.026 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -128.3 | 73.9 | -179 | -65.9 | 177.8 | 0 | 0 | 0 | 110.6 | P216 P237 I238 F239 M243 G244 A245 T280 C330 | P216-L241 HydrophobicContact CB-CB 4.07Å; P216-L241 HydrophobicContact CB-CD1 4.29Å; P216-L241 HydrophobicContact CG-CB 3.68Å; P216-L241 WeakPolarHBondContact CG-O 3.32Å; P237-L241 PolarHBondContact O-N 2.71Å; P237-L241 VanDerWaalsContact O-N 3.08Å; I238-L241 CarbonylContact O-C 3.57Å; F239-L241 VanDerWaalsContact C-N 3.33Å; L241-M243 PolarHBondContact O-N 2.84Å; L241-G244 WeakPolarHBondContact O-CA 3.31Å; L241-G244 PolarHBondContact O-N 2.77Å; L241-A245 HydrophobicContact CD1-CB 4.47Å; L241-T280 HydrophobicContact CD2-CG2 3.59Å; L241-C330 HydrophobicContact CD1-CB 4.47Å; L241-C330 HydrophobicContact CD2-CB 3.77Å; L241-C330 HydrophobicContact CG-CB 3.98Å |
| 242 | P | 87.9 | Confident | 87.9 | Confident | 21 Ų | 21 | 23.3 Ų | 23.3 | 14% | 0.136 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -21.8 | -170 | 24.3 | -31.7 | 0 | 0 | 0 | 114.6 | I238 G244 Q468 P470 L471 | I238-P242 WeakPolarHBondContact O-CA 3.28Å; P242-G244 VanDerWaalsContact C-N 3.33Å; P242-Q468 HydrophobicContact CB-CG 4.44Å; P242-Q468 HydrophobicContact CG-CG 4.38Å; P242-P470 HydrophobicContact CB-CB 4.34Å; P242-L471 PolarHBondContact O-N 3.33Å |
| 243 | M | 84.4 | Confident | 87.4 | Confident | 37 Ų | 37 | 26 Ų | 26 | 18% | 0.182 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 3.8 | 173.5 | -59.2 | -58.2 | -71.7 | 0 | 0 | 112.8 | L241 L246 L471 D488 S490 L494 | L241-M243 PolarHBondContact O-N 2.84Å; M243-L246 WeakPolarHBondContact O-CD2 3.38Å; M243-L471 HydrophobicContact CE-CD1 3.65Å; M243-L471 HydrophobicContact CE-CG 4.37Å; M243-L471 HydrophobicContact SD-CD1 3.76Å; M243-L471 HydrophobicContact SD-CD2 4.34Å; M243-L471 HydrophobicContact SD-CG 3.88Å; M243-D488 HydrophobicContact SD-CB 4.03Å; M243-S490 WeakPolarHBondContact CE-OG 3.21Å; M243-L494 HydrophobicContact CE-CD1 4.05Å |
| 244 | G | 89 | Confident | 87 | Confident | 2 Ų | 2 | 25.2 Ų | 25.2 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | trans | 95.8 | 170.3 | -176 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y214 L241 P242 N328 | Y214-G244 WeakPolarHBondContact O-CA 3.28Å; L241-G244 WeakPolarHBondContact O-CA 3.31Å; L241-G244 PolarHBondContact O-N 2.77Å; P242-G244 VanDerWaalsContact C-N 3.33Å; G244-N328 PolarHBondContact O-ND2 2.92Å | ||
| 245 | A | 93.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 110.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | L27 Y214 L241 N328 | L27-A245 HydrophobicContact CB-CB 4.14Å; L27-A245 HydrophobicContact CD1-CB 4.05Å; Y214-A245 WeakPolarHBondContact CB-O 3.3Å; Y214-A245 PolarHBondContact N-O 3.36Å; Y214-A245 PolarHBondContact O-N 3.15Å; L241-A245 HydrophobicContact CD1-CB 4.47Å; A245-N328 VanDerWaalsContact CA-OD1 3.27Å; A245-N328 WeakPolarHBondContact CA-OD1 3.4Å |
| 246 | L | 90.4 | Very high | 86.6 | Confident | 6 Ų | 6 | 24.8 Ų | 24.8 | 3% | 0.031 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 140.5 | -169.7 | -57 | 179.1 | 0 | 0 | 0 | 110.6 | I212 A213 M243 E248 V327 N328 | I212-L246 CarbonylContact O-C 3.54Å; I212-L246 VanDerWaalsContact O-CA 3.3Å; I212-L246 WeakPolarHBondContact O-CA 3.42Å; A213-L246 HydrophobicContact CB-CD2 3.65Å; M243-L246 WeakPolarHBondContact O-CD2 3.38Å; L246-E248 HydrophobicContact CB-CG 4.09Å; L246-E248 VanDerWaalsContact CD1-OE1 3.28Å; L246-E248 WeakPolarHBondContact CD1-OE1 3.48Å; L246-V327 VanDerWaalsContact O-CA 3.29Å; L246-V327 WeakPolarHBondContact O-CA 3.37Å; L246-V327 WeakPolarHBondContact O-CG2 3.25Å; L246-N328 PolarHBondContact N-OD1 2.73Å; L246-N328 PolarHBondContact O-N 3.31Å |
| 247 | I | 90.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 117.9 | 155.5 | -59.2 | -179.6 | 0 | 0 | 0 | 106.5 | L27 R211 I212 Y214 Y285 L289 H326 | L27-I247 HydrophobicContact CD2-CD1 4Å; L27-I247 HydrophobicContact CD2-CG1 4.13Å; R211-I247 CarbonylContact C-O 2.86Å; R211-I247 WeakPolarHBondContact CA-O 3.05Å; I212-I247 PolarHBondContact N-O 3.21Å; I212-I247 PolarHBondContact O-N 3.04Å; Y214-I247 HydrophobicContact CD2-CD1 4.43Å; Y214-I247 HydrophobicContact CD2-CG1 4.36Å; Y214-I247 HydrophobicContact CE2-CD1 3.68Å; Y214-I247 HydrophobicContact CE2-CG1 3.97Å; I247-Y285 HydrophobicContact CD1-CD2 4.18Å; I247-Y285 HydrophobicContact CD1-CE1 4.3Å; I247-Y285 HydrophobicContact CD1-CE2 3.66Å; I247-Y285 HydrophobicContact CG1-CD2 4.37Å; I247-Y285 HydrophobicContact CG1-CE2 4.3Å; I247-L289 HydrophobicContact CG2-CD2 4.46Å; I247-H326 CarbonylContact C-O 3.59Å; I247-H326 WeakPolarHBondContact CA-O 3.33Å |
| 248 | E | 87.4 | Confident | 86 | Confident | 7 Ų | 7 | 29 Ų | 29 | 3% | 0.033 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 142.6 | -178.7 | -61.4 | -174.1 | -174.7 | 0 | 0 | 111.5 | V209 R211 L246 W250 Y282 F325 H326 | V209-E248 HydrophobicContact CG1-CB 4.09Å; V209-E248 HydrophobicContact CG1-CG 4.45Å; R211-E248 HydrophobicContact CB-CG 3.96Å; L246-E248 HydrophobicContact CB-CG 4.09Å; L246-E248 VanDerWaalsContact CD1-OE1 3.28Å; L246-E248 WeakPolarHBondContact CD1-OE1 3.48Å; E248-W250 HydrophobicContact CB-CZ2 4.49Å; E248-W250 WeakPolarHBondContact OE2-CZ2 3.46Å; E248-W250 PolarHBondContact OE2-NE1 2.83Å; E248-Y282 HydrophobicContact CG-CE1 4.2Å; E248-Y282 PolarHBondContact OE1-OH 2.95Å; E248-F325 WeakPolarHBondContact O-CA 3.37Å; E248-H326 PolarHBondContact N-O 2.89Å; E248-H326 PolarHBondContact O-N 3.39Å |
| 249 | C | 83.4 | Confident | 86 | Confident | 12 Ų | 12 | 32.6 Ų | 32.6 | 8% | 0.081 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 120.8 | 173.8 | -177.9 | 0 | 0 | 0 | 0 | 110 | V209 N210 L297 F325 | V209-C249 WeakPolarHBondContact CG1-O 3.12Å; N210-C249 HydrophobicContact CB-CB 4.27Å; N210-C249 PolarHBondContact O-N 3.05Å; C249-L297 HydrophobicContact CB-CD2 4.31Å; C249-F325 HydrophobicContact CB-CD1 4.12Å; C249-F325 HydrophobicContact CB-CE1 4.01Å |
| 250 | W | 80.9 | Confident | 85.8 | Confident | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.015 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 144 | -178.5 | -53.9 | -17.3 | 0 | 0 | 0 | 111.4 | S159 E248 C254 K256 P257 Y282 M323 T324 H326 | S159-W250 PolarHBondContact OG-NE1 3.41Å; S159-W250 VanDerWaalsContact OG-NE1 3.15Å; E248-W250 HydrophobicContact CB-CZ2 4.49Å; E248-W250 WeakPolarHBondContact OE2-CZ2 3.46Å; E248-W250 PolarHBondContact OE2-NE1 2.83Å; W250-C254 HydrophobicContact CB-CB 4.33Å; W250-K256 HydrophobicContact CZ3-CG 4.29Å; W250-P257 HydrophobicContact CH2-CG 3.99Å; W250-P257 HydrophobicContact CZ2-CG 4.08Å; W250-Y282 AromaticContact CH2-CD1 3.78Å; W250-Y282 HydrophobicContact CH2-CD1 3.78Å; W250-Y282 HydrophobicContact CH2-CD2 4.16Å; W250-Y282 HydrophobicContact CH2-CE1 4.42Å; W250-Y282 AromaticContact CH2-CG 3.62Å; W250-Y282 HydrophobicContact CH2-CG 3.62Å; W250-Y282 AromaticContact CZ2-CD1 3.56Å; W250-Y282 HydrophobicContact CZ2-CD1 3.56Å; W250-Y282 HydrophobicContact CZ2-CD2 4.3Å; W250-Y282 AromaticContact CZ2-CE1 3.78Å; W250-Y282 HydrophobicContact CZ2-CE1 3.78Å; W250-Y282 AromaticContact CZ2-CG 3.83Å; W250-Y282 HydrophobicContact CZ2-CG 3.83Å; W250-M323 CarbonylContact O-C 3.44Å; W250-M323 WeakPolarHBondContact O-CA 3.26Å; W250-T324 PolarHBondContact N-O 3.46Å; W250-T324 PolarHBondContact O-N 2.72Å; W250-T324 PolarHBondContact O-OG1 3.08Å; W250-H326 HydrophobicContact CD2-CB 4.31Å; W250-H326 AromaticContact CD2-CD2 3.37Å; W250-H326 AromaticContact CD2-CG 3.88Å; W250-H326 AromaticContact CE2-CD2 3.98Å; W250-H326 HydrophobicContact CE3-CB 4.29Å; W250-H326 AromaticContact CE3-CD2 3.11Å; W250-H326 AromaticContact CE3-CE1 3.83Å; W250-H326 AromaticContact CE3-CG 3.5Å; W250-H326 AromaticContact CE3-ND1 3.93Å; W250-H326 AromaticContact CE3-NE2 3.33Å; W250-H326 VanDerWaalsContact CE3-NE2 3.33Å; W250-H326 AromaticContact CG-CD2 3.94Å; W250-H326 HydrophobicContact CH2-CB 3.66Å; W250-H326 AromaticContact CH2-CG 3.57Å; W250-H326 AromaticContact CH2-ND1 3.93Å; W250-H326 HydrophobicContact CZ2-CB 3.71Å; W250-H326 AromaticContact CZ2-CG 3.98Å; W250-H326 HydrophobicContact CZ3-CB 3.97Å; W250-H326 AromaticContact CZ3-CD2 3.48Å; W250-H326 VanDerWaalsContact CZ3-CD2 3.48Å; W250-H326 WeakPolarHBondContact CZ3-CD2 3.33Å; W250-H326 AromaticContact CZ3-CE1 3.71Å; W250-H326 AromaticContact CZ3-CG 3.33Å; W250-H326 AromaticContact CZ3-ND1 3.47Å; W250-H326 WeakPolarHBondContact CZ3-ND1 3.4Å; W250-H326 AromaticContact CZ3-NE2 3.7Å |
| 251 | P | 76.6 | Confident | 85.8 | Confident | 20 Ų | 20 | 36.6 Ų | 36.6 | 13% | 0.13 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 139.7 | 163.2 | -22.6 | 32.5 | 0 | 0 | 0 | 111.2 | K253 C254 M323 | P251-K253 HydrophobicContact CB-CG 4.36Å; P251-K253 PolarHBondContact O-N 2.75Å; P251-C254 VanDerWaalsContact O-CB 3.3Å; P251-C254 WeakPolarHBondContact O-CB 3.25Å; P251-C254 PolarHBondContact O-N 2.95Å; P251-M323 HydrophobicContact CG-SD 4.36Å |
| 252 | A | 76.6 | Confident | 85.8 | Confident | 55 Ų | 55 | 36.5 Ų | 36.5 | 46% | 0.455 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -22.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q322 T324 | A252-Q322 HydrophobicContact CB-CB 4.2Å; A252-Q322 WeakPolarHBondContact CB-O 3.48Å; A252-Q322 PolarHBondContact N-O 3.26Å; A252-T324 HydrophobicContact CB-CG2 4.17Å |
| 253 | K | 76.9 | Confident | 86.1 | Confident | 73 Ų | 73 | 35.7 Ų | 35.7 | 32% | 0.317 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -13.2 | 176.1 | 70.1 | -172.5 | 180 | -157 | 0 | 114.1 | N156 P251 Q255 T316 E321 | N156-K253 WeakPolarHBondContact CB-O 3.45Å; P251-K253 HydrophobicContact CB-CG 4.36Å; P251-K253 PolarHBondContact O-N 2.75Å; K253-Q255 PolarHBondContact O-N 2.91Å; K253-T316 WeakPolarHBondContact CE-O 3.24Å; K253-T316 PolarHBondContact NZ-O 3.15Å; K253-E321 WeakPolarHBondContact CD-OE2 3.5Å; K253-E321 WeakPolarHBondContact CE-OE2 3.4Å; K253-E321 IonicContact NZ-OE1 2.78Å; K253-E321 PolarHBondContact NZ-OE1 3.33Å; K253-E321 IonicContact NZ-OE2 2.94Å; K253-E321 PolarHBondContact NZ-OE2 3.38Å |
| 254 | C | 80.7 | Confident | 86.5 | Confident | 31 Ų | 31 | 34 Ų | 34 | 21% | 0.209 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -65.3 | 133.6 | -177.9 | -84.9 | 0 | 0 | 0 | 0 | 111.2 | A157 W250 P251 | A157-C254 PolarHBondContact O-SG 3.43Å; A157-C254 VanDerWaalsContact O-SG 3.34Å; W250-C254 HydrophobicContact CB-CB 4.33Å; P251-C254 VanDerWaalsContact O-CB 3.3Å; P251-C254 WeakPolarHBondContact O-CB 3.25Å; P251-C254 PolarHBondContact O-N 2.95Å |
| 255 | Q | 82.5 | Confident | 86.6 | Confident | 118 Ų | 118 | 34.1 Ų | 34.1 | 55% | 0.551 | 18% | 0.181 | S | C | * | . | P | Polyproline II helix | trans | -68 | 139.8 | 171.3 | -171.4 | 177.9 | 12.6 | 0 | 0 | 110.6 | N156 P158 K253 | N156-Q255 VanDerWaalsContact O-CB 3.3Å; N156-Q255 WeakPolarHBondContact O-CB 3.32Å; N156-Q255 PolarHBondContact O-N 2.66Å; P158-Q255 VanDerWaalsContact CA-O 3.28Å; P158-Q255 WeakPolarHBondContact CA-O 3.44Å; P158-Q255 WeakPolarHBondContact CB-O 3.25Å; K253-Q255 PolarHBondContact O-N 2.91Å |
| 256 | K | 82.9 | Confident | 86.4 | Confident | 92 Ų | 92 | 34.9 Ų | 34.9 | 40% | 0.4 | 19% | 0.186 | S | C | . | . | P | Polyproline II helix | trans | -60.3 | 130.8 | 172.3 | -169.5 | 169.8 | -175.5 | 168.7 | 0 | 110.8 | W250 Y282 | W250-K256 HydrophobicContact CZ3-CG 4.29Å; K256-Y282 WeakPolarHBondContact CE-O 3.49Å; K256-Y282 PolarHBondContact NZ-O 2.75Å |
| 257 | P | 86.2 | Confident | 86 | Confident | 7 Ų | 7 | 37.9 Ų | 37.9 | 5% | 0.045 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -55.6 | 144.4 | 174.8 | -28.3 | 36.4 | 0 | 0 | 0 | 113.1 | P158 W250 Y282 | P158-P257 HydrophobicContact CB-CG 4.29Å; W250-P257 HydrophobicContact CH2-CG 3.99Å; W250-P257 HydrophobicContact CZ2-CG 4.08Å; P257-Y282 HydrophobicContact CB-CD2 4.17Å; P257-Y282 HydrophobicContact CB-CE2 4.16Å; P257-Y282 HydrophobicContact CG-CD2 4.15Å; P257-Y282 HydrophobicContact CG-CE2 4.11Å |
| 258 | P | 86.9 | Confident | 85.1 | Confident | 93 Ų | 93 | 40.8 Ų | 40.8 | 60% | 0.604 | 22% | 0.219 | S | C | * | . | P | Polyproline II helix | trans | -67.1 | 157.6 | 174.6 | 30 | -35.3 | 0 | 0 | 0 | 111.2 | Q260 | P258-Q260 PolarHBondContact O-N 3.13Š|
| 259 | Q | 90.3 | Very high | 84.2 | Confident | 81 Ų | 81 | 51 Ų | 51 | 38% | 0.379 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 133.7 | 177.5 | -55.1 | 82.6 | 6.8 | 0 | 0 | 110.8 | V279 T280 F281 L348 H351 | Q259-V279 HydrophobicContact CB-CG1 3.8Å; Q259-V279 HydrophobicContact CG-CG1 4.38Å; Q259-T280 CarbonylContact C-O 3.52Å; Q259-T280 WeakPolarHBondContact CA-O 3.27Å; Q259-F281 HydrophobicContact CG-CB 4.06Å; Q259-L348 HydrophobicContact CB-CD2 4.09Å; Q259-H351 PolarHBondContact NE2-CE1 3.43Å |
| 260 | Q | 89.6 | Confident | 83.2 | Confident | 79 Ų | 79 | 55.7 Ų | 55.7 | 37% | 0.369 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 119.4 | -177.6 | -169.6 | 174.9 | 18.1 | 0 | 0 | 110.1 | P258 T262 V279 T280 P442 | P258-Q260 PolarHBondContact O-N 3.13Å; Q260-T262 HydrophobicContact CG-CG2 4.13Å; Q260-V279 WeakPolarHBondContact O-CA 3.37Å; Q260-T280 PolarHBondContact N-O 3.02Å; Q260-T280 PolarHBondContact O-N 3.29Å; Q260-P442 VanDerWaalsContact NE2-CG 3.31Å |
| 261 | F | 93.1 | Very high | 82.7 | Confident | 25 Ų | 25 | 57.8 Ų | 57.8 | 11% | 0.11 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 129.4 | 173 | -180 | -106.4 | 0 | 0 | 0 | 110.2 | T263 A277 S278 V279 F340 R344 | F261-T263 HydrophobicContact CD1-CG2 4.4Å; F261-T263 HydrophobicContact CE1-CG2 3.44Å; F261-T263 VanDerWaalsContact CE1-CG2 3.44Å; F261-T263 HydrophobicContact CE2-CG2 4.45Å; F261-T263 HydrophobicContact CZ-CG2 3.47Å; F261-T263 VanDerWaalsContact CZ-CG2 3.47Å; F261-A277 HydrophobicContact CE2-CB 4.01Å; F261-A277 HydrophobicContact CZ-CB 4.09Å; F261-S278 WeakPolarHBondContact CA-O 3.18Å; F261-S278 VanDerWaalsContact CD2-O 3.24Å; F261-S278 WeakPolarHBondContact CD2-O 3.36Å; F261-V279 HydrophobicContact CD2-CG2 3.94Å; F261-F340 HydrophobicContact CZ-CB 4.45Å; F261-R344 HydrophobicContact CB-CG 4.22Å; F261-R344 HydrophobicContact CD1-CB 4.2Å; F261-R344 HydrophobicContact CD1-CG 3.99Å; F261-R344 HydrophobicContact CD2-CB 3.82Å; F261-R344 HydrophobicContact CD2-CG 3.73Å; F261-R344 HydrophobicContact CE1-CB 3.96Å; F261-R344 HydrophobicContact CE1-CG 4.26Å; F261-R344 HydrophobicContact CE2-CB 3.57Å; F261-R344 HydrophobicContact CE2-CG 4.04Å; F261-R344 HydrophobicContact CG-CB 4.13Å; F261-R344 HydrophobicContact CG-CG 3.7Å; F261-R344 HydrophobicContact CZ-CB 3.64Å; F261-R344 HydrophobicContact CZ-CG 4.29Å |
| 262 | T | 92 | Very high | 82.6 | Confident | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.018 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 155.3 | 179.1 | 64.4 | 0 | 0 | 0 | 0 | 109.7 | Q260 S278 P442 | Q260-T262 HydrophobicContact CG-CG2 4.13Å; T262-S278 PolarHBondContact N-O 2.95Å; T262-S278 PolarHBondContact O-N 3.39Å; T262-S278 PolarHBondContact O-OG 3.36Å; T262-S278 PolarHBondContact OG1-OG 3.36Å; T262-P442 HydrophobicContact CG2-CB 3.55Å; T262-P442 HydrophobicContact CG2-CG 3.9Å |
| 263 | T | 93.4 | Very high | 83 | Confident | 5 Ų | 5 | 61.1 Ų | 61.1 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 141.5 | 179.2 | 51.6 | 0 | 0 | 0 | 0 | 108.4 | F261 G276 F340 T446 Q468 | F261-T263 HydrophobicContact CD1-CG2 4.4Å; F261-T263 HydrophobicContact CE1-CG2 3.44Å; F261-T263 VanDerWaalsContact CE1-CG2 3.44Å; F261-T263 HydrophobicContact CE2-CG2 4.45Å; F261-T263 HydrophobicContact CZ-CG2 3.47Å; F261-T263 VanDerWaalsContact CZ-CG2 3.47Å; T263-G276 CarbonylContact C-O 3.58Å; T263-G276 VanDerWaalsContact CA-O 3.23Å; T263-G276 WeakPolarHBondContact CA-O 3.48Å; T263-F340 HydrophobicContact CG2-CB 4.15Å; T263-F340 HydrophobicContact CG2-CD1 3.56Å; T263-F340 HydrophobicContact CG2-CD2 4.21Å; T263-F340 HydrophobicContact CG2-CE1 3.84Å; T263-F340 HydrophobicContact CG2-CE2 4.44Å; T263-F340 HydrophobicContact CG2-CG 3.74Å; T263-F340 HydrophobicContact CG2-CZ 4.27Å; T263-T446 WeakPolarHBondContact O-CB 3.39Å; T263-T446 PolarHBondContact O-OG1 3.11Å; T263-T446 WeakPolarHBondContact OG1-CB 3.34Å; T263-Q468 PolarHBondContact O-OE1 3.13Å |
| 264 | F | 92.9 | Very high | 83.7 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 0% | 0.004 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 164.3 | 178.1 | 57.3 | -92.9 | 0 | 0 | 0 | 110.2 | V236 F239 L266 G276 | V236-F264 HydrophobicContact CG1-CE2 4.26Å; V236-F264 HydrophobicContact CG1-CZ 3.97Å; F239-F264 HydrophobicContact CB-CB 4.17Å; F239-F264 HydrophobicContact CB-CD1 3.92Å; F239-F264 HydrophobicContact CB-CD2 3.63Å; F239-F264 HydrophobicContact CB-CE1 4.18Å; F239-F264 HydrophobicContact CB-CE2 3.89Å; F239-F264 HydrophobicContact CB-CG 3.64Å; F239-F264 HydrophobicContact CB-CZ 4.15Å; F239-F264 HydrophobicContact CD1-CB 4.39Å; F239-F264 HydrophobicContact CG-CD2 4.22Å; F239-F264 HydrophobicContact CG-CG 4.46Å; F264-L266 HydrophobicContact CD2-CD1 4.49Å; F264-L266 HydrophobicContact CD2-CD2 3.92Å; F264-L266 HydrophobicContact CD2-CG 3.93Å; F264-L266 HydrophobicContact CE2-CD1 4.04Å; F264-L266 HydrophobicContact CE2-CD2 4.22Å; F264-L266 HydrophobicContact CE2-CG 3.98Å; F264-G276 PolarHBondContact N-O 2.84Å; F264-G276 PolarHBondContact O-N 3.11Å |
| 265 | V | 92 | Very high | 84.3 | Confident | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.024 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 124.7 | 177.1 | -172.3 | 0 | 0 | 0 | 0 | 107.9 | K273 L274 Y275 T446 E450 Y465 P467 | V265-K273 HydrophobicContact CG1-CB 3.78Å; V265-K273 HydrophobicContact CG1-CD 3.91Å; V265-K273 HydrophobicContact CG1-CG 3.79Å; V265-L274 WeakPolarHBondContact CA-O 3.47Å; V265-Y275 HydrophobicContact CG1-CD1 4.17Å; V265-Y275 HydrophobicContact CG1-CE1 4.13Å; V265-Y275 HydrophobicContact CG2-CD1 3.76Å; V265-Y275 HydrophobicContact CG2-CE1 4.05Å; V265-T446 HydrophobicContact CG2-CG2 4.03Å; V265-E450 HydrophobicContact CG2-CG 4.15Å; V265-Y465 HydrophobicContact CB-CE1 4.09Å; V265-Y465 HydrophobicContact CG1-CE1 4.21Å; V265-P467 HydrophobicContact CB-CG 3.82Å; V265-P467 HydrophobicContact CG2-CG 3.99Å |
| 266 | L | 89.3 | Confident | 84.8 | Confident | 17 Ų | 17 | 51.6 Ų | 51.6 | 9% | 0.089 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 132.5 | 172.1 | -52 | 179.6 | 0 | 0 | 0 | 107.5 | P233 V236 F239 F264 K273 L274 | P233-L266 HydrophobicContact CB-CD1 4.19Å; P233-L266 HydrophobicContact CG-CD1 3.89Å; V236-L266 HydrophobicContact CB-CD1 4.45Å; V236-L266 HydrophobicContact CG2-CD1 3.45Å; V236-L266 VanDerWaalsContact CG2-CD1 3.45Å; F239-L266 HydrophobicContact CB-CD2 4.44Å; F239-L266 HydrophobicContact CD1-CD2 3.99Å; F239-L266 HydrophobicContact CD2-CD2 3.42Å; F239-L266 VanDerWaalsContact CD2-CD2 3.42Å; F239-L266 HydrophobicContact CE1-CD2 4.04Å; F239-L266 HydrophobicContact CE2-CD2 3.5Å; F239-L266 VanDerWaalsContact CE2-CD2 3.5Å; F239-L266 HydrophobicContact CG-CD2 3.69Å; F239-L266 HydrophobicContact CZ-CD2 3.81Å; F264-L266 HydrophobicContact CD2-CD1 4.49Å; F264-L266 HydrophobicContact CD2-CD2 3.92Å; F264-L266 HydrophobicContact CD2-CG 3.93Å; F264-L266 HydrophobicContact CE2-CD1 4.04Å; F264-L266 HydrophobicContact CE2-CD2 4.22Å; F264-L266 HydrophobicContact CE2-CG 3.98Å; L266-K273 CarbonylContact O-C 3.56Å; L266-K273 WeakPolarHBondContact O-CA 3.46Å; L266-L274 HydrophobicContact CB-CB 4.31Å; L266-L274 PolarHBondContact N-O 3.29Å; L266-L274 PolarHBondContact O-N 2.83Å |
| 267 | T | 81.5 | Confident | 85.5 | Confident | 68 Ų | 68 | 47.2 Ų | 47.2 | 42% | 0.417 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 126.1 | 175.6 | -45.5 | 0 | 0 | 0 | 0 | 107.6 | Q272 | T267-Q272 WeakPolarHBondContact CA-O 3.46Å |
| 268 | D | 73 | Confident | 86 | Confident | 61 Ų | 61 | 46.9 Ų | 46.9 | 33% | 0.326 | 24% | 0.241 | S | C | . | . | trans | -79.7 | 179.9 | 174.8 | 75.3 | 9.9 | 0 | 0 | 0 | 111.7 | D270 G271 Q272 | D268-D270 PolarHBondContact O-N 3.37Å; D268-D270 WeakPolarHBondContact OD1-CA 3.41Å; D268-D270 PolarHBondContact OD1-N 3.01Å; D268-G271 PolarHBondContact O-N 3.14Å; D268-G271 VanDerWaalsContact O-N 3.16Å; D268-G271 PolarHBondContact OD1-N 3.13Å; D268-Q272 PolarHBondContact N-O 2.8Å; D268-Q272 PolarHBondContact OD1-N 2.79Å | ||
| 269 | R | 68 | Low | 86.4 | Confident | 223 Ų | 223 | 42.5 Ų | 42.5 | 84% | 0.842 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -22.2 | 179.1 | 66.4 | 179.8 | 173.8 | -158.9 | -9.6 | 114.1 | G271 | R269-G271 VanDerWaalsContact C-N 3.32Š|
| 270 | D | 62.8 | Low | 86.6 | Confident | 109 Ų | 109 | 39.2 Ų | 39.2 | 58% | 0.583 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -0.7 | -178.8 | -62.5 | -49.9 | 0 | 0 | 0 | 110.7 | D268 Q272 | D268-D270 PolarHBondContact O-N 3.37Å; D268-D270 WeakPolarHBondContact OD1-CA 3.41Å; D268-D270 PolarHBondContact OD1-N 3.01Å; D270-Q272 VanDerWaalsContact C-N 3.35Å |
| 271 | G | 68.5 | Low | 86.9 | Confident | 49 Ų | 49 | 35.7 Ų | 35.7 | 51% | 0.505 | 18% | 0.182 | S | C | . | . | S | Bend | trans | 85.4 | 4.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D268 R269 | D268-G271 PolarHBondContact O-N 3.14Å; D268-G271 VanDerWaalsContact O-N 3.16Å; D268-G271 PolarHBondContact OD1-N 3.13Å; R269-G271 VanDerWaalsContact C-N 3.32Å |
| 272 | Q | 76 | Confident | 86.9 | Confident | 83 Ų | 83 | 35.7 Ų | 35.7 | 39% | 0.388 | 18% | 0.181 | S | C | . | . | trans | -74.3 | 142.3 | 178.2 | -56.5 | -168.7 | 10 | 0 | 0 | 110.6 | T267 D268 D270 | T267-Q272 WeakPolarHBondContact CA-O 3.46Å; D268-Q272 PolarHBondContact N-O 2.8Å; D268-Q272 PolarHBondContact OD1-N 2.79Å; D270-Q272 VanDerWaalsContact C-N 3.35Å | ||
| 273 | K | 85.6 | Confident | 86.9 | Confident | 61 Ų | 61 | 36 Ų | 36 | 27% | 0.265 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 128.5 | -178.1 | -69.1 | -179.6 | 173.7 | -168.2 | 0 | 110.9 | V265 L266 Y275 E450 | V265-K273 HydrophobicContact CG1-CB 3.78Å; V265-K273 HydrophobicContact CG1-CD 3.91Å; V265-K273 HydrophobicContact CG1-CG 3.79Å; L266-K273 CarbonylContact O-C 3.56Å; L266-K273 WeakPolarHBondContact O-CA 3.46Å; K273-Y275 HydrophobicContact CB-CE1 4.33Å; K273-Y275 HydrophobicContact CB-CE2 3.98Å; K273-Y275 HydrophobicContact CD-CE1 4.26Å; K273-Y275 WeakPolarHBondContact CD-OH 3.42Å; K273-E450 VanDerWaalsContact NZ-CD 3.32Å; K273-E450 IonicContact NZ-OE1 3.26Å; K273-E450 PolarHBondContact NZ-OE1 3.27Å; K273-E450 IonicContact NZ-OE2 2.96Å; K273-E450 PolarHBondContact NZ-OE2 2.78Å; K273-E450 VanDerWaalsContact NZ-OE2 3.11Å |
| 274 | L | 89.8 | Confident | 86.7 | Confident | 15 Ų | 15 | 40.1 Ų | 40.1 | 8% | 0.079 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 121.5 | 163.9 | -68.4 | 172.8 | 0 | 0 | 0 | 108.7 | P233 V265 L266 V334 R336 | P233-L274 HydrophobicContact CG-CD1 4.15Å; V265-L274 WeakPolarHBondContact CA-O 3.47Å; L266-L274 HydrophobicContact CB-CB 4.31Å; L266-L274 PolarHBondContact N-O 3.29Å; L266-L274 PolarHBondContact O-N 2.83Å; L274-V334 HydrophobicContact CB-CG1 4.17Å; L274-R336 HydrophobicContact CD2-CG 3.85Å |
| 275 | Y | 93.2 | Very high | 86.6 | Confident | 8 Ų | 8 | 41.8 Ų | 41.8 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 121.4 | -177.9 | -58.5 | -82.8 | 0 | 0 | 0 | 109.9 | V265 K273 V334 S335 R336 P338 F340 L405 | V265-Y275 HydrophobicContact CG1-CD1 4.17Å; V265-Y275 HydrophobicContact CG1-CE1 4.13Å; V265-Y275 HydrophobicContact CG2-CD1 3.76Å; V265-Y275 HydrophobicContact CG2-CE1 4.05Å; K273-Y275 HydrophobicContact CB-CE1 4.33Å; K273-Y275 HydrophobicContact CB-CE2 3.98Å; K273-Y275 HydrophobicContact CD-CE1 4.26Å; K273-Y275 WeakPolarHBondContact CD-OH 3.42Å; Y275-V334 WeakPolarHBondContact O-CA 3.49Å; Y275-S335 WeakPolarHBondContact CA-O 3.48Å; Y275-S335 WeakPolarHBondContact CB-O 3.35Å; Y275-S335 PolarHBondContact N-O 2.83Å; Y275-S335 PolarHBondContact O-N 3.47Å; Y275-R336 WeakPolarHBondContact CD2-O 3.23Å; Y275-R336 VanDerWaalsContact CE2-O 3.32Å; Y275-R336 WeakPolarHBondContact CE2-O 3.29Å; Y275-P338 HydrophobicContact CD1-CB 3.74Å; Y275-P338 HydrophobicContact CD2-CB 4.06Å; Y275-P338 HydrophobicContact CD2-CG 4.45Å; Y275-P338 HydrophobicContact CE1-CB 3.97Å; Y275-P338 HydrophobicContact CE1-CG 4.42Å; Y275-P338 HydrophobicContact CE2-CB 4.26Å; Y275-P338 HydrophobicContact CE2-CG 4.25Å; Y275-P338 HydrophobicContact CG-CB 3.78Å; Y275-F340 HydrophobicContact CD1-CE2 4.46Å; Y275-F340 AromaticContact CD1-CZ 3.81Å; Y275-F340 HydrophobicContact CD1-CZ 3.81Å; Y275-F340 HydrophobicContact CG-CZ 4.3Å; Y275-L405 PolarHBondContact OH-O 2.81Å |
| 276 | G | 94.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 135.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | T263 F264 V333 | T263-G276 CarbonylContact C-O 3.58Å; T263-G276 VanDerWaalsContact CA-O 3.23Å; T263-G276 WeakPolarHBondContact CA-O 3.48Å; F264-G276 PolarHBondContact N-O 2.84Å; F264-G276 PolarHBondContact O-N 3.11Å; G276-V333 WeakPolarHBondContact CA-O 3.27Å |
| 277 | A | 96.3 | Very high | 86 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 125 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | F261 C332 V333 F340 F343 L347 | F261-A277 HydrophobicContact CE2-CB 4.01Å; F261-A277 HydrophobicContact CZ-CB 4.09Å; A277-C332 CarbonylContact O-C 3.37Å; A277-C332 VanDerWaalsContact O-CA 3.27Å; A277-C332 WeakPolarHBondContact O-CA 3.34Å; A277-C332 PolarHBondContact O-SG 3.27Å; A277-V333 PolarHBondContact N-O 3.18Å; A277-V333 PolarHBondContact O-N 2.71Å; A277-F340 HydrophobicContact CB-CD1 4.11Å; A277-F343 HydrophobicContact CB-CB 3.66Å; A277-F343 HydrophobicContact CB-CD2 3.85Å; A277-F343 HydrophobicContact CB-CG 4.16Å; A277-L347 HydrophobicContact CB-CD1 4.37Å; A277-L347 WeakPolarHBondContact O-CD1 3.46Å |
| 278 | S | 96.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 147.9 | -171.8 | 26.4 | 0 | 0 | 0 | 0 | 112.6 | F261 T262 C330 I331 | F261-S278 WeakPolarHBondContact CA-O 3.18Å; F261-S278 VanDerWaalsContact CD2-O 3.24Å; F261-S278 WeakPolarHBondContact CD2-O 3.36Å; T262-S278 PolarHBondContact N-O 2.95Å; T262-S278 PolarHBondContact O-N 3.39Å; T262-S278 PolarHBondContact O-OG 3.36Å; T262-S278 PolarHBondContact OG1-OG 3.36Å; S278-C330 WeakPolarHBondContact CB-SG 3.31Å; S278-I331 CarbonylContact C-O 3.55Å; S278-I331 VanDerWaalsContact CA-O 3.26Å; S278-I331 WeakPolarHBondContact CA-O 3.28Å |
| 279 | V | 96.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 113.6 | 169.3 | 174.4 | 0 | 0 | 0 | 0 | 108.2 | Q259 Q260 F261 F281 C330 I331 L347 L348 | Q259-V279 HydrophobicContact CB-CG1 3.8Å; Q259-V279 HydrophobicContact CG-CG1 4.38Å; Q260-V279 WeakPolarHBondContact O-CA 3.37Å; F261-V279 HydrophobicContact CD2-CG2 3.94Å; V279-F281 HydrophobicContact CG1-CD1 4.41Å; V279-F281 WeakPolarHBondContact O-CD1 3.38Å; V279-C330 WeakPolarHBondContact O-CA 3.42Å; V279-I331 HydrophobicContact CB-CG1 4.1Å; V279-I331 PolarHBondContact N-O 3.46Å; V279-I331 PolarHBondContact O-N 2.82Å; V279-I331 VanDerWaalsContact O-N 3.11Å; V279-L347 HydrophobicContact CB-CB 4.26Å; V279-L347 HydrophobicContact CG2-CB 3.48Å; V279-L347 VanDerWaalsContact CG2-CB 3.48Å; V279-L347 HydrophobicContact CG2-CD1 4.13Å; V279-L347 HydrophobicContact CG2-CG 4.45Å; V279-L348 HydrophobicContact CG1-CD2 3.97Å; V279-L348 HydrophobicContact CG2-CD2 4.19Å; V279-L348 HydrophobicContact CG2-CG 4.27Å |
| 280 | T | 95.1 | Very high | 87.7 | Confident | 13 Ų | 13 | 47.7 Ų | 47.7 | 8% | 0.08 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 138.4 | 175.1 | -50.7 | 0 | 0 | 0 | 0 | 110.3 | L241 Q259 Q260 N328 K329 | L241-T280 HydrophobicContact CD2-CG2 3.59Å; Q259-T280 CarbonylContact C-O 3.52Å; Q259-T280 WeakPolarHBondContact CA-O 3.27Å; Q260-T280 PolarHBondContact N-O 3.02Å; Q260-T280 PolarHBondContact O-N 3.29Å; T280-N328 HydrophobicContact CG2-CB 4.25Å; T280-K329 WeakPolarHBondContact CA-O 3.29Å |
| 281 | F | 94.9 | Very high | 88.7 | Confident | 5 Ų | 5 | 49.6 Ų | 49.6 | 2% | 0.022 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 168 | 179.2 | 53.8 | -88.8 | 0 | 0 | 0 | 109.8 | Q259 V279 E283 N328 K329 I331 H351 F718 | Q259-F281 HydrophobicContact CG-CB 4.06Å; V279-F281 HydrophobicContact CG1-CD1 4.41Å; V279-F281 WeakPolarHBondContact O-CD1 3.38Å; F281-E283 HydrophobicContact CD2-CG 4.25Å; F281-E283 HydrophobicContact CE2-CG 4.18Å; F281-N328 CarbonylContact O-C 3.54Å; F281-N328 WeakPolarHBondContact O-CA 3.31Å; F281-K329 HydrophobicContact CD2-CB 4.35Å; F281-K329 HydrophobicContact CE2-CB 3.79Å; F281-K329 HydrophobicContact CZ-CB 3.94Å; F281-K329 PolarHBondContact N-O 2.71Å; F281-K329 PolarHBondContact O-N 2.7Å; F281-K329 VanDerWaalsContact O-O 3.11Å; F281-I331 HydrophobicContact CE1-CG1 4.18Å; F281-I331 HydrophobicContact CE1-CG2 4.1Å; F281-I331 HydrophobicContact CZ-CG2 4.3Å; F281-H351 AromaticContact CD1-CD2 3.47Å; F281-H351 VanDerWaalsContact CD1-CD2 3.47Å; F281-H351 WeakPolarHBondContact CD1-CD2 3.33Å; F281-H351 AromaticContact CD1-NE2 3.57Å; F281-H351 AromaticContact CD2-CD2 3.86Å; F281-H351 AromaticContact CD2-NE2 3.3Å; F281-H351 VanDerWaalsContact CD2-NE2 3.3Å; F281-H351 WeakPolarHBondContact CD2-NE2 3.4Å; F281-H351 AromaticContact CE1-CD2 3.56Å; F281-H351 AromaticContact CE2-CD2 3.93Å; F281-H351 AromaticContact CE2-NE2 3.77Å; F281-H351 AromaticContact CG-CD2 3.63Å; F281-H351 AromaticContact CG-NE2 3.19Å; F281-H351 WeakPolarHBondContact CG-NE2 3.48Å; F281-H351 AromaticContact CZ-CD2 3.79Å; F281-F718 HydrophobicContact CE2-CB 4.03Å; F281-F718 HydrophobicContact CZ-CB 3.7Å; F281-F718 HydrophobicContact CZ-CG 4.23Å |
| 282 | Y | 92.8 | Very high | 89.4 | Confident | 25 Ų | 25 | 54 Ų | 54 | 10% | 0.098 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 154.2 | 179.1 | -71.2 | -95.4 | 0 | 0 | 0 | 111.5 | E248 W250 K256 P257 H326 V327 N328 | E248-Y282 HydrophobicContact CG-CE1 4.2Å; E248-Y282 PolarHBondContact OE1-OH 2.95Å; W250-Y282 AromaticContact CH2-CD1 3.78Å; W250-Y282 HydrophobicContact CH2-CD1 3.78Å; W250-Y282 HydrophobicContact CH2-CD2 4.16Å; W250-Y282 HydrophobicContact CH2-CE1 4.42Å; W250-Y282 AromaticContact CH2-CG 3.62Å; W250-Y282 HydrophobicContact CH2-CG 3.62Å; W250-Y282 AromaticContact CZ2-CD1 3.56Å; W250-Y282 HydrophobicContact CZ2-CD1 3.56Å; W250-Y282 HydrophobicContact CZ2-CD2 4.3Å; W250-Y282 AromaticContact CZ2-CE1 3.78Å; W250-Y282 HydrophobicContact CZ2-CE1 3.78Å; W250-Y282 AromaticContact CZ2-CG 3.83Å; W250-Y282 HydrophobicContact CZ2-CG 3.83Å; K256-Y282 WeakPolarHBondContact CE-O 3.49Å; K256-Y282 PolarHBondContact NZ-O 2.75Å; P257-Y282 HydrophobicContact CB-CD2 4.17Å; P257-Y282 HydrophobicContact CB-CE2 4.16Å; P257-Y282 HydrophobicContact CG-CD2 4.15Å; P257-Y282 HydrophobicContact CG-CE2 4.11Å; Y282-H326 HydrophobicContact CD1-CB 4.17Å; Y282-V327 CarbonylContact C-O 3.59Å; Y282-V327 VanDerWaalsContact CA-O 3.28Å; Y282-V327 WeakPolarHBondContact CA-O 3.37Å; Y282-N328 HydrophobicContact CD1-CB 4.01Å; Y282-N328 HydrophobicContact CE1-CB 3.83Å |
| 283 | E | 91.9 | Very high | 89.9 | Confident | 8 Ų | 8 | 50.4 Ų | 50.4 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 157.8 | 170.8 | -67.1 | -176.2 | 171.8 | 0 | 0 | 109.6 | F281 H326 V327 K329 K717 F718 | F281-E283 HydrophobicContact CD2-CG 4.25Å; F281-E283 HydrophobicContact CE2-CG 4.18Å; E283-H326 CarbonylContact O-C 3.57Å; E283-H326 WeakPolarHBondContact O-CA 3.4Å; E283-V327 HydrophobicContact CB-CG1 4.39Å; E283-V327 PolarHBondContact N-O 2.95Å; E283-V327 PolarHBondContact O-N 3.16Å; E283-K329 IonicContact OE1-NZ 2.8Å; E283-K329 WeakPolarHBondContact OE2-CD 3.5Å; E283-K329 WeakPolarHBondContact OE2-CE 3.3Å; E283-K329 IonicContact OE2-NZ 2.59Å; E283-K329 PolarHBondContact OE2-NZ 3.32Å; E283-K717 HydrophobicContact CG-CG 4.48Å; E283-K717 WeakPolarHBondContact OE1-CA 3.43Å; E283-F718 PolarHBondContact OE1-N 2.89Å |
| 284 | D | 90 | Very high | 89.7 | Confident | 92 Ų | 92 | 50.2 Ų | 50.2 | 49% | 0.492 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 135.6 | 178 | -58.8 | -19.3 | 0 | 0 | 0 | 110.5 | H326 | D284-H326 IonicContact OD1-CE1 2.76Å; D284-H326 PolarHBondContact OD1-CE1 3.09Å; D284-H326 IonicContact OD1-ND1 2.76Å; D284-H326 PolarHBondContact OD1-ND1 3.36Å |
| 285 | Y | 90.5 | Very high | 89.2 | Confident | 37 Ų | 37 | 55.9 Ų | 55.9 | 15% | 0.145 | 27% | 0.274 | C | S | . | . | trans | -88.4 | 108.2 | 175.4 | -176.7 | -100.1 | 0 | 0 | 0 | 110.1 | L27 I247 K287 L289 F325 V327 | L27-Y285 HydrophobicContact CD2-CE2 3.94Å; I247-Y285 HydrophobicContact CD1-CD2 4.18Å; I247-Y285 HydrophobicContact CD1-CE1 4.3Å; I247-Y285 HydrophobicContact CD1-CE2 3.66Å; I247-Y285 HydrophobicContact CG1-CD2 4.37Å; I247-Y285 HydrophobicContact CG1-CE2 4.3Å; Y285-K287 WeakPolarHBondContact CD1-O 3.28Å; Y285-K287 HydrophobicContact CE1-CB 4.01Å; Y285-K287 WeakPolarHBondContact CE1-O 3.41Å; Y285-K287 HydrophobicContact CE2-CB 4.3Å; Y285-L289 HydrophobicContact CD1-CD2 4.18Å; Y285-L289 HydrophobicContact CE1-CD2 3.77Å; Y285-F325 HydrophobicContact CD1-CB 4.32Å; Y285-F325 PolarHBondContact N-O 2.97Å; Y285-V327 HydrophobicContact CD2-CB 4.31Å | ||
| 286 | E | 83.7 | Confident | 88.3 | Confident | 154 Ų | 154 | 58.3 Ų | 58.3 | 72% | 0.72 | 29% | 0.292 | S | S | * | . | trans | -93.4 | -16.7 | -170.9 | -65.9 | 178.2 | 155.9 | 0 | 0 | 114.7 | K717 | E286-K717 IonicContact OE1-NZ 2.84Å; E286-K717 PolarHBondContact OE1-NZ 3.28Å; E286-K717 IonicContact OE2-NZ 3.19Å; E286-K717 PolarHBondContact OE2-NZ 3.32Å | ||
| 287 | K | 86 | Confident | 87.6 | Confident | 121 Ų | 121 | 58.4 Ų | 58.4 | 53% | 0.526 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -73.9 | 145 | -179.2 | -64.4 | -178.4 | -178.8 | -178.4 | 0 | 109.8 | Y285 L289 | Y285-K287 WeakPolarHBondContact CD1-O 3.28Å; Y285-K287 HydrophobicContact CE1-CB 4.01Å; Y285-K287 WeakPolarHBondContact CE1-O 3.41Å; Y285-K287 HydrophobicContact CE2-CB 4.3Å; K287-L289 PolarHBondContact O-N 3.09Å |
| 288 | P | 85.7 | Confident | 86.3 | Confident | 118 Ų | 118 | 61.2 Ų | 61.2 | 77% | 0.766 | 32% | 0.321 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 139.2 | 172.7 | 27 | -33.6 | 0 | 0 | 0 | 110 | ||
| 289 | L | 86.1 | Confident | 85.1 | Confident | 33 Ų | 33 | 64 Ų | 64 | 17% | 0.173 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 136.5 | 176.3 | -66 | 172.8 | 0 | 0 | 0 | 110.4 | I247 Y285 K287 Q293 I294 L297 L299 F325 | I247-L289 HydrophobicContact CG2-CD2 4.46Å; Y285-L289 HydrophobicContact CD1-CD2 4.18Å; Y285-L289 HydrophobicContact CE1-CD2 3.77Å; K287-L289 PolarHBondContact O-N 3.09Å; L289-Q293 HydrophobicContact CB-CB 4.26Å; L289-Q293 HydrophobicContact CD2-CB 4.11Å; L289-I294 HydrophobicContact CB-CD1 4.42Å; L289-I294 HydrophobicContact CB-CG1 3.84Å; L289-I294 HydrophobicContact CD1-CG1 4.37Å; L289-L297 HydrophobicContact CD1-CD1 3.89Å; L289-L297 HydrophobicContact CD2-CD1 4.05Å; L289-L299 HydrophobicContact CD1-CD1 4.13Å; L289-F325 HydrophobicContact CD1-CD1 3.95Å; L289-F325 HydrophobicContact CD1-CD2 4.25Å; L289-F325 HydrophobicContact CD1-CE1 3.56Å; L289-F325 HydrophobicContact CD1-CE2 3.88Å; L289-F325 HydrophobicContact CD1-CG 4.29Å; L289-F325 HydrophobicContact CD1-CZ 3.51Å |
| 290 | T | 86.3 | Confident | 83.4 | Confident | 70 Ų | 70 | 68.9 Ų | 68.9 | 43% | 0.429 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 161 | 171.1 | 70.7 | 0 | 0 | 0 | 0 | 110.7 | E292 Q293 I294 | T290-E292 PolarHBondContact O-N 3.42Å; T290-Q293 WeakPolarHBondContact O-CB 3.45Å; T290-Q293 PolarHBondContact O-N 3.49Å; T290-Q293 VanDerWaalsContact OG1-CG 3.26Å; T290-Q293 WeakPolarHBondContact OG1-CG 3.31Å; T290-Q293 PolarHBondContact OG1-N 3.31Å; T290-I294 WeakPolarHBondContact O-CG1 3.26Å; T290-I294 PolarHBondContact O-N 3.13Å |
| 291 | F | 83.5 | Confident | 81.2 | Confident | 149 Ų | 149 | 73.5 Ų | 73.5 | 65% | 0.654 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -56.6 | -39.1 | 176.4 | 179.8 | -97.9 | 0 | 0 | 0 | 112.7 | I294 K295 | F291-I294 PolarHBondContact O-N 3.16Å; F291-K295 PolarHBondContact O-N 3.1Å; F291-K295 VanDerWaalsContact O-N 3.07Å |
| 292 | E | 82.7 | Confident | 78.7 | Confident | 142 Ų | 142 | 80.5 Ų | 80.5 | 66% | 0.664 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -65 | -38.8 | 175.6 | -65.9 | 178.8 | 170.7 | 0 | 0 | 112 | T290 K295 S296 | T290-E292 PolarHBondContact O-N 3.42Å; E292-K295 PolarHBondContact O-N 2.94Å; E292-S296 WeakPolarHBondContact O-CB 3.29Å; E292-S296 PolarHBondContact O-N 2.97Å; E292-S296 PolarHBondContact O-OG 3.24Å |
| 293 | Q | 86.7 | Confident | 76 | Confident | 7 Ų | 7 | 84.8 Ų | 84.8 | 3% | 0.033 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -66.4 | -43.4 | 175.7 | -73 | 173 | -24.9 | 0 | 0 | 111.8 | I212 Y214 L289 T290 K295 S296 L297 | I212-Q293 HydrophobicContact CD1-CB 3.72Å; I212-Q293 HydrophobicContact CD1-CG 3.67Å; Y214-Q293 VanDerWaalsContact OH-CG 3.32Å; Y214-Q293 WeakPolarHBondContact OH-CG 3.25Å; Y214-Q293 PolarHBondContact OH-NE2 3.37Å; L289-Q293 HydrophobicContact CB-CB 4.26Å; L289-Q293 HydrophobicContact CD2-CB 4.11Å; T290-Q293 WeakPolarHBondContact O-CB 3.45Å; T290-Q293 PolarHBondContact O-N 3.49Å; T290-Q293 VanDerWaalsContact OG1-CG 3.26Å; T290-Q293 WeakPolarHBondContact OG1-CG 3.31Å; T290-Q293 PolarHBondContact OG1-N 3.31Å; Q293-K295 VanDerWaalsContact C-N 3.29Å; Q293-K295 PolarHBondContact O-N 2.98Å; Q293-S296 PolarHBondContact O-N 3.3Å; Q293-L297 WeakPolarHBondContact O-CB 3.36Å; Q293-L297 WeakPolarHBondContact O-CG 3.14Å; Q293-L297 PolarHBondContact O-N 3.44Å |
| 294 | I | 81.5 | Confident | 73.5 | Confident | 58 Ų | 58 | 89 Ų | 89 | 30% | 0.297 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.8 | -43.7 | 176.4 | -67.1 | 169.6 | 0 | 0 | 0 | 110.5 | L289 T290 F291 G298 L299 Q300 | L289-I294 HydrophobicContact CB-CD1 4.42Å; L289-I294 HydrophobicContact CB-CG1 3.84Å; L289-I294 HydrophobicContact CD1-CG1 4.37Å; T290-I294 WeakPolarHBondContact O-CG1 3.26Å; T290-I294 PolarHBondContact O-N 3.13Å; F291-I294 PolarHBondContact O-N 3.16Å; I294-G298 PolarHBondContact O-N 3.36Å; I294-L299 HydrophobicContact CG2-CB 3.94Å; I294-L299 PolarHBondContact O-N 3.47Å; I294-Q300 HydrophobicContact CG2-CG 4.41Å |
| 295 | K | 79.4 | Confident | 70.8 | Confident | 134 Ų | 134 | 92.3 Ų | 92.3 | 58% | 0.583 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.2 | -47.4 | 175.9 | -174.3 | -177.2 | 177.2 | -174.1 | 0 | 111.8 | F291 E292 Q293 L297 G298 | F291-K295 PolarHBondContact O-N 3.1Å; F291-K295 VanDerWaalsContact O-N 3.07Å; E292-K295 PolarHBondContact O-N 2.94Å; Q293-K295 VanDerWaalsContact C-N 3.29Å; Q293-K295 PolarHBondContact O-N 2.98Å; K295-L297 VanDerWaalsContact C-N 3.33Å; K295-L297 PolarHBondContact O-N 3.43Å; K295-G298 PolarHBondContact O-N 3.11Å |
| 296 | S | 74.6 | Confident | 68.1 | Low | 59 Ų | 59 | 98.8 Ų | 98.8 | 41% | 0.413 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -70.2 | -29.1 | -176.6 | -55.2 | 0 | 0 | 0 | 0 | 113 | E292 Q293 G298 | E292-S296 WeakPolarHBondContact O-CB 3.29Å; E292-S296 PolarHBondContact O-N 2.97Å; E292-S296 PolarHBondContact O-OG 3.24Å; Q293-S296 PolarHBondContact O-N 3.3Å; S296-G298 PolarHBondContact O-N 3.21Å |
| 297 | L | 79.1 | Confident | 65.6 | Low | 1 Ų | 1 | 97.9 Ų | 97.9 | 1% | 0.005 | 56% | 0.556 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -79.9 | -1.6 | 171.5 | -70.3 | 169.1 | 0 | 0 | 0 | 113.4 | N210 I212 C249 L289 Q293 K295 L299 F325 | N210-L297 HydrophobicContact CB-CD2 4.34Å; N210-L297 WeakPolarHBondContact CB-O 3.4Å; N210-L297 PolarHBondContact ND2-O 3.43Å; N210-L297 WeakPolarHBondContact O-CD2 3.35Å; I212-L297 HydrophobicContact CD1-CD1 4.29Å; I212-L297 HydrophobicContact CD1-CD2 4.33Å; I212-L297 HydrophobicContact CD1-CG 3.85Å; I212-L297 HydrophobicContact CG1-CD2 3.94Å; I212-L297 HydrophobicContact CG1-CG 3.96Å; C249-L297 HydrophobicContact CB-CD2 4.31Å; L289-L297 HydrophobicContact CD1-CD1 3.89Å; L289-L297 HydrophobicContact CD2-CD1 4.05Å; Q293-L297 WeakPolarHBondContact O-CB 3.36Å; Q293-L297 WeakPolarHBondContact O-CG 3.14Å; Q293-L297 PolarHBondContact O-N 3.44Å; K295-L297 VanDerWaalsContact C-N 3.33Å; K295-L297 PolarHBondContact O-N 3.43Å; L297-L299 VanDerWaalsContact C-N 3.34Å; L297-L299 HydrophobicContact CB-CD1 3.87Å; L297-L299 HydrophobicContact CB-CG 3.91Å; L297-L299 HydrophobicContact CD1-CD1 4.16Å; L297-L299 PolarHBondContact O-N 2.92Å; L297-F325 HydrophobicContact CD1-CD1 4.29Å; L297-F325 HydrophobicContact CD1-CE1 4.16Å |
| 298 | G | 70.4 | Confident | 63 | Low | 59 Ų | 59 | 95.3 Ų | 95.3 | 61% | 0.608 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.4 | 27.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | I294 K295 S296 | I294-G298 PolarHBondContact O-N 3.36Å; K295-G298 PolarHBondContact O-N 3.11Å; S296-G298 PolarHBondContact O-N 3.21Å |
| 299 | L | 70.4 | Confident | 60.3 | Low | 59 Ų | 59 | 94.7 Ų | 94.7 | 31% | 0.309 | 56% | 0.562 | S | S | . | * | trans | -93.4 | 5.8 | -174.8 | -63 | 172.2 | 0 | 0 | 0 | 114 | L289 I294 L297 S301 F325 | L289-L299 HydrophobicContact CD1-CD1 4.13Å; I294-L299 HydrophobicContact CG2-CB 3.94Å; I294-L299 PolarHBondContact O-N 3.47Å; L297-L299 VanDerWaalsContact C-N 3.34Å; L297-L299 HydrophobicContact CB-CD1 3.87Å; L297-L299 HydrophobicContact CB-CG 3.91Å; L297-L299 HydrophobicContact CD1-CD1 4.16Å; L297-L299 PolarHBondContact O-N 2.92Å; L299-S301 PolarHBondContact O-N 3.17Å; L299-S301 VanDerWaalsContact O-N 3.11Å; L299-F325 HydrophobicContact CD1-CE1 3.77Å; L299-F325 HydrophobicContact CD1-CZ 3.86Å | ||
| 300 | Q | 60.7 | Low | 57.7 | Low | 103 Ų | 103 | 96.4 Ų | 96.4 | 48% | 0.481 | 58% | 0.576 | S | S | . | * | trans | -68.4 | 109.7 | 178.4 | -79.1 | -177.7 | -8.3 | 0 | 0 | 110.8 | I294 D302 | I294-Q300 HydrophobicContact CG2-CG 4.41Å; Q300-D302 PolarHBondContact O-N 3.43Å | ||
| 301 | S | 48.8 | Very low | 55.3 | Low | 110 Ų | 110 | 98.5 Ų | 98.5 | 77% | 0.769 | 59% | 0.594 | S | S | * | * | trans | -90.6 | 84.6 | 171 | 62 | 0 | 0 | 0 | 0 | 109.9 | L299 | L299-S301 PolarHBondContact O-N 3.17Å; L299-S301 VanDerWaalsContact O-N 3.11Å | ||
| 302 | D | 41.3 | Very low | 53 | Low | 151 Ų | 151 | 95.3 Ų | 95.3 | 81% | 0.807 | 58% | 0.583 | S | S | * | * | trans | -140.8 | 132.7 | 167.5 | -89.4 | -37 | 0 | 0 | 0 | 111.3 | Q300 | Q300-D302 PolarHBondContact O-N 3.43Š| ||
| 303 | S | 37.1 | Very low | 50.7 | Low | 115 Ų | 115 | 93.9 Ų | 93.9 | 80% | 0.804 | 59% | 0.589 | S | S | * | * | trans | 76.4 | 102.4 | 173.3 | 66.1 | 0 | 0 | 0 | 0 | 118 | N305 | S303-N305 PolarHBondContact O-N 2.54Š| ||
| 304 | A | 39.3 | Very low | 48.4 | Very low | 97 Ų | 97 | 97.7 Ų | 97.7 | 80% | 0.802 | 62% | 0.617 | S | S | * | * | trans | -51.9 | 99.7 | 158.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 305 | N | 34 | Very low | 46.5 | Very low | 161 Ų | 161 | 95.5 Ų | 95.5 | 86% | 0.861 | 61% | 0.607 | S | S | * | * | trans | -172.1 | 123.3 | 149.7 | -89.5 | -27.1 | 0 | 0 | 0 | 110.1 | S303 | S303-N305 PolarHBondContact O-N 2.54Š| ||
| 306 | Q | 33.2 | Very low | 44.9 | Very low | 174 Ų | 174 | 90 Ų | 90 | 81% | 0.813 | 58% | 0.584 | S | S | * | * | trans | -44.7 | 142.8 | -178.9 | -69 | 165.8 | -10.4 | 0 | 0 | 114.2 | ||||
| 307 | P | 31.8 | Very low | 43.5 | Very low | 134 Ų | 134 | 91 Ų | 91 | 87% | 0.87 | 59% | 0.585 | S | S | * | * | S | Bend | -139.4 | 130.3 | 66.8 | 33.9 | -15.2 | 0 | 0 | 0 | 114.7 | |||
| 308 | G | 31.3 | Very low | 42 | Very low | 68 Ų | 68 | 93.1 Ų | 93.1 | 70% | 0.701 | 60% | 0.596 | S | S | * | * | S | Bend | trans | 134.5 | -7.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | C310 | G308-C310 PolarHBondContact O-N 2.86Š|
| 309 | S | 27.4 | Very low | 40.7 | Very low | 104 Ų | 104 | 95.8 Ų | 95.8 | 73% | 0.727 | 60% | 0.603 | S | S | * | * | trans | -62.8 | 105.9 | 167.7 | 178.8 | 0 | 0 | 0 | 0 | 108.7 | S311 | S309-S311 PolarHBondContact O-N 3.41Š| ||
| 310 | C | 32.1 | Very low | 39.5 | Very low | 70 Ų | 70 | 97 Ų | 97 | 47% | 0.473 | 62% | 0.621 | S | S | . | * | trans | -71.9 | 124.2 | 173.9 | -64.7 | 0 | 0 | 0 | 0 | 107.6 | G308 D312 | G308-C310 PolarHBondContact O-N 2.86Å; C310-D312 PolarHBondContact O-N 2.73Å; C310-D312 VanDerWaalsContact O-N 3.13Å | ||
| 311 | S | 36.6 | Very low | 39.3 | Very low | 113 Ų | 113 | 95 Ų | 95 | 79% | 0.79 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -66.9 | -5.2 | 176.7 | 51.2 | 0 | 0 | 0 | 0 | 114.1 | S309 | S309-S311 PolarHBondContact O-N 3.41Š|
| 312 | D | 33.8 | Very low | 40.3 | Very low | 82 Ų | 82 | 97.3 Ų | 97.3 | 44% | 0.439 | 61% | 0.611 | S | S | . | * | trans | -104.6 | 96.3 | -172.6 | -61 | 5.1 | 0 | 0 | 0 | 107.7 | C310 S314 S315 | C310-D312 PolarHBondContact O-N 2.73Å; C310-D312 VanDerWaalsContact O-N 3.13Å; D312-S314 PolarHBondContact O-N 2.93Å; D312-S315 PolarHBondContact O-N 3.2Å | ||
| 313 | S | 36.2 | Very low | 42.2 | Very low | 112 Ų | 112 | 93.2 Ų | 93.2 | 78% | 0.783 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | 20.5 | 177.5 | 49.9 | 0 | 0 | 0 | 0 | 114.9 | ||
| 314 | S | 37.3 | Very low | 44.5 | Very low | 88 Ų | 88 | 90 Ų | 90 | 62% | 0.615 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | 9.1 | 173.3 | 75.8 | 0 | 0 | 0 | 0 | 113.1 | D312 T316 | D312-S314 PolarHBondContact O-N 2.93Å; S314-T316 PolarHBondContact O-N 3.31Å |
| 315 | S | 41.2 | Very low | 46.9 | Very low | 12 Ų | 12 | 88.1 Ų | 88.1 | 8% | 0.084 | 54% | 0.537 | C | S | . | . | trans | -67.9 | 127.1 | 178.3 | 59.4 | 0 | 0 | 0 | 0 | 110.8 | F102 D312 N317 D318 | F102-S315 WeakPolarHBondContact O-CA 3.31Å; F102-S315 WeakPolarHBondContact O-CB 3.5Å; D312-S315 PolarHBondContact O-N 3.2Å; S315-N317 PolarHBondContact O-N 3.14Å; S315-D318 PolarHBondContact O-N 2.91Å; S315-D318 WeakPolarHBondContact OG-CA 3.22Å; S315-D318 PolarHBondContact OG-N 3.11Å | ||
| 316 | T | 46.8 | Very low | 49.6 | Very low | 19 Ų | 19 | 81.1 Ų | 81.1 | 12% | 0.117 | 50% | 0.499 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -7.6 | 172 | 46.2 | 0 | 0 | 0 | 0 | 113.9 | P105 E155 K253 S314 | P105-T316 HydrophobicContact CG-CG2 3.92Å; E155-T316 HydrophobicContact CB-CG2 4.27Å; E155-T316 HydrophobicContact CG-CG2 4.19Å; K253-T316 WeakPolarHBondContact CE-O 3.24Å; K253-T316 PolarHBondContact NZ-O 3.15Å; S314-T316 PolarHBondContact O-N 3.31Å |
| 317 | N | 45.2 | Very low | 52.5 | Low | 78 Ų | 78 | 73.5 Ų | 73.5 | 42% | 0.417 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | 31.8 | 173.9 | -68.1 | -14.3 | 0 | 0 | 0 | 111.6 | F102 S315 P319 | F102-N317 HydrophobicContact CB-CB 4.42Å; F102-N317 VanDerWaalsContact CD1-ND2 3.32Å; F102-N317 WeakPolarHBondContact CD1-ND2 3.47Å; S315-N317 PolarHBondContact O-N 3.14Å; N317-P319 WeakPolarHBondContact O-CD 3.24Å; N317-P319 VanDerWaalsContact O-N 3.14Å |
| 318 | D | 46.6 | Very low | 55.4 | Low | 47 Ų | 47 | 67.4 Ų | 67.4 | 25% | 0.251 | 42% | 0.424 | S | S | . | . | trans | -58.4 | 118.4 | 174.9 | -168.4 | -14.6 | 0 | 0 | 0 | 108.7 | S315 A320 E321 | S315-D318 PolarHBondContact O-N 2.91Å; S315-D318 WeakPolarHBondContact OG-CA 3.22Å; S315-D318 PolarHBondContact OG-N 3.11Å; D318-A320 PolarHBondContact O-N 2.5Å; D318-A320 VanDerWaalsContact OD1-CB 3.31Å; D318-A320 WeakPolarHBondContact OD1-CB 3.34Å; D318-A320 PolarHBondContact OD1-N 2.86Å; D318-E321 HydrophobicContact CB-CG 4.35Å; D318-E321 PolarHBondContact O-N 2.77Å | ||
| 319 | P | 42.9 | Very low | 58.5 | Low | 114 Ų | 114 | 66.5 Ų | 66.5 | 74% | 0.74 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -15.3 | 174.9 | -21.6 | 32.4 | 0 | 0 | 0 | 113.3 | N317 E321 | N317-P319 WeakPolarHBondContact O-CD 3.24Å; N317-P319 VanDerWaalsContact O-N 3.14Å; P319-E321 VanDerWaalsContact C-N 3.28Å |
| 320 | A | 45 | Very low | 61.8 | Low | 84 Ų | 84 | 61.5 Ų | 61.5 | 69% | 0.694 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -11.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | D318 | D318-A320 PolarHBondContact O-N 2.5Å; D318-A320 VanDerWaalsContact OD1-CB 3.31Å; D318-A320 WeakPolarHBondContact OD1-CB 3.34Å; D318-A320 PolarHBondContact OD1-N 2.86Å |
| 321 | E | 57.6 | Low | 64.9 | Low | 63 Ų | 63 | 58.2 Ų | 58.2 | 29% | 0.294 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -76.7 | 143.7 | 177.7 | -71.2 | -174.3 | -179.7 | 0 | 0 | 112.7 | K253 D318 P319 M323 | K253-E321 WeakPolarHBondContact CD-OE2 3.5Å; K253-E321 WeakPolarHBondContact CE-OE2 3.4Å; K253-E321 IonicContact NZ-OE1 2.78Å; K253-E321 PolarHBondContact NZ-OE1 3.33Å; K253-E321 IonicContact NZ-OE2 2.94Å; K253-E321 PolarHBondContact NZ-OE2 3.38Å; D318-E321 HydrophobicContact CB-CG 4.35Å; D318-E321 PolarHBondContact O-N 2.77Å; P319-E321 VanDerWaalsContact C-N 3.28Å; E321-M323 PolarHBondContact O-N 3.06Å |
| 322 | Q | 70.3 | Confident | 67.8 | Low | 158 Ų | 158 | 52.8 Ų | 52.8 | 74% | 0.738 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 126.8 | 177.8 | -169.4 | 172.2 | 10.4 | 0 | 0 | 110.3 | A252 | A252-Q322 HydrophobicContact CB-CB 4.2Å; A252-Q322 WeakPolarHBondContact CB-O 3.48Å; A252-Q322 PolarHBondContact N-O 3.26Å |
| 323 | M | 79.9 | Confident | 70.8 | Confident | 65 Ų | 65 | 48.9 Ų | 48.9 | 32% | 0.32 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 150.5 | -179.4 | -63.2 | -66 | 172.8 | 0 | 0 | 111.5 | W250 P251 E321 | W250-M323 CarbonylContact O-C 3.44Å; W250-M323 WeakPolarHBondContact O-CA 3.26Å; P251-M323 HydrophobicContact CG-SD 4.36Å; E321-M323 PolarHBondContact O-N 3.06Å |
| 324 | T | 85.4 | Confident | 73.6 | Confident | 48 Ų | 48 | 43.6 Ų | 43.6 | 29% | 0.294 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 149.8 | 176.1 | 59.6 | 0 | 0 | 0 | 0 | 110.6 | W250 A252 H326 | W250-T324 PolarHBondContact N-O 3.46Å; W250-T324 PolarHBondContact O-N 2.72Å; W250-T324 PolarHBondContact O-OG1 3.08Å; A252-T324 HydrophobicContact CB-CG2 4.17Å; T324-H326 WeakPolarHBondContact CB-NE2 2.84Å; T324-H326 PolarHBondContact OG1-NE2 3.08Å |
| 325 | F | 90.1 | Very high | 76.3 | Confident | 57 Ų | 57 | 39.4 Ų | 39.4 | 25% | 0.25 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 133.1 | -175.5 | -55.9 | -71.6 | 0 | 0 | 0 | 110.7 | E248 C249 Y285 L289 L297 L299 | E248-F325 WeakPolarHBondContact O-CA 3.37Å; C249-F325 HydrophobicContact CB-CD1 4.12Å; C249-F325 HydrophobicContact CB-CE1 4.01Å; Y285-F325 HydrophobicContact CD1-CB 4.32Å; Y285-F325 PolarHBondContact N-O 2.97Å; L289-F325 HydrophobicContact CD1-CD1 3.95Å; L289-F325 HydrophobicContact CD1-CD2 4.25Å; L289-F325 HydrophobicContact CD1-CE1 3.56Å; L289-F325 HydrophobicContact CD1-CE2 3.88Å; L289-F325 HydrophobicContact CD1-CG 4.29Å; L289-F325 HydrophobicContact CD1-CZ 3.51Å; L297-F325 HydrophobicContact CD1-CD1 4.29Å; L297-F325 HydrophobicContact CD1-CE1 4.16Å; L299-F325 HydrophobicContact CD1-CE1 3.77Å; L299-F325 HydrophobicContact CD1-CZ 3.86Å |
| 326 | H | 91 | Very high | 78.5 | Confident | 14 Ų | 14 | 40.2 Ų | 40.2 | 7% | 0.065 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 144.6 | -173.3 | -63.7 | -89.1 | 0 | 0 | 0 | 111.1 | I247 E248 W250 Y282 E283 D284 T324 | I247-H326 CarbonylContact C-O 3.59Å; I247-H326 WeakPolarHBondContact CA-O 3.33Å; E248-H326 PolarHBondContact N-O 2.89Å; E248-H326 PolarHBondContact O-N 3.39Å; W250-H326 HydrophobicContact CD2-CB 4.31Å; W250-H326 AromaticContact CD2-CD2 3.37Å; W250-H326 AromaticContact CD2-CG 3.88Å; W250-H326 AromaticContact CE2-CD2 3.98Å; W250-H326 HydrophobicContact CE3-CB 4.29Å; W250-H326 AromaticContact CE3-CD2 3.11Å; W250-H326 AromaticContact CE3-CE1 3.83Å; W250-H326 AromaticContact CE3-CG 3.5Å; W250-H326 AromaticContact CE3-ND1 3.93Å; W250-H326 AromaticContact CE3-NE2 3.33Å; W250-H326 VanDerWaalsContact CE3-NE2 3.33Å; W250-H326 AromaticContact CG-CD2 3.94Å; W250-H326 HydrophobicContact CH2-CB 3.66Å; W250-H326 AromaticContact CH2-CG 3.57Å; W250-H326 AromaticContact CH2-ND1 3.93Å; W250-H326 HydrophobicContact CZ2-CB 3.71Å; W250-H326 AromaticContact CZ2-CG 3.98Å; W250-H326 HydrophobicContact CZ3-CB 3.97Å; W250-H326 AromaticContact CZ3-CD2 3.48Å; W250-H326 VanDerWaalsContact CZ3-CD2 3.48Å; W250-H326 WeakPolarHBondContact CZ3-CD2 3.33Å; W250-H326 AromaticContact CZ3-CE1 3.71Å; W250-H326 AromaticContact CZ3-CG 3.33Å; W250-H326 AromaticContact CZ3-ND1 3.47Å; W250-H326 WeakPolarHBondContact CZ3-ND1 3.4Å; W250-H326 AromaticContact CZ3-NE2 3.7Å; Y282-H326 HydrophobicContact CD1-CB 4.17Å; E283-H326 CarbonylContact O-C 3.57Å; E283-H326 WeakPolarHBondContact O-CA 3.4Å; D284-H326 IonicContact OD1-CE1 2.76Å; D284-H326 PolarHBondContact OD1-CE1 3.09Å; D284-H326 IonicContact OD1-ND1 2.76Å; D284-H326 PolarHBondContact OD1-ND1 3.36Å; T324-H326 WeakPolarHBondContact CB-NE2 2.84Å; T324-H326 PolarHBondContact OG1-NE2 3.08Å |
| 327 | V | 93.4 | Very high | 80.7 | Confident | 13 Ų | 13 | 40.1 Ų | 40.1 | 8% | 0.079 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 140.5 | 175 | 65.4 | 0 | 0 | 0 | 0 | 110.6 | L27 L246 Y282 E283 Y285 | L27-V327 HydrophobicContact CB-CG2 3.78Å; L27-V327 HydrophobicContact CD2-CG2 4.17Å; L246-V327 VanDerWaalsContact O-CA 3.29Å; L246-V327 WeakPolarHBondContact O-CA 3.37Å; L246-V327 WeakPolarHBondContact O-CG2 3.25Å; Y282-V327 CarbonylContact C-O 3.59Å; Y282-V327 VanDerWaalsContact CA-O 3.28Å; Y282-V327 WeakPolarHBondContact CA-O 3.37Å; E283-V327 HydrophobicContact CB-CG1 4.39Å; E283-V327 PolarHBondContact N-O 2.95Å; E283-V327 PolarHBondContact O-N 3.16Å; Y285-V327 HydrophobicContact CD2-CB 4.31Å |
| 328 | N | 94 | Very high | 82.8 | Confident | 7 Ų | 7 | 37.2 Ų | 37.2 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 139 | 172 | 69.6 | -15.5 | 0 | 0 | 0 | 111.8 | G244 A245 L246 T280 F281 Y282 | G244-N328 PolarHBondContact O-ND2 2.92Å; A245-N328 VanDerWaalsContact CA-OD1 3.27Å; A245-N328 WeakPolarHBondContact CA-OD1 3.4Å; L246-N328 PolarHBondContact N-OD1 2.73Å; L246-N328 PolarHBondContact O-N 3.31Å; T280-N328 HydrophobicContact CG2-CB 4.25Å; F281-N328 CarbonylContact O-C 3.54Å; F281-N328 WeakPolarHBondContact O-CA 3.31Å; Y282-N328 HydrophobicContact CD1-CB 4.01Å; Y282-N328 HydrophobicContact CE1-CB 3.83Å |
| 329 | K | 95.4 | Very high | 85 | Confident | 48 Ų | 48 | 36 Ų | 36 | 21% | 0.209 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 162.2 | 171.3 | -75.7 | -171.4 | -176.4 | 168.6 | 0 | 109.9 | L219 T280 F281 E283 | L219-K329 HydrophobicContact CD1-CD 4.36Å; L219-K329 HydrophobicContact CD1-CG 4.45Å; T280-K329 WeakPolarHBondContact CA-O 3.29Å; F281-K329 HydrophobicContact CD2-CB 4.35Å; F281-K329 HydrophobicContact CE2-CB 3.79Å; F281-K329 HydrophobicContact CZ-CB 3.94Å; F281-K329 PolarHBondContact N-O 2.71Å; F281-K329 PolarHBondContact O-N 2.7Å; F281-K329 VanDerWaalsContact O-O 3.11Å; E283-K329 IonicContact OE1-NZ 2.8Å; E283-K329 WeakPolarHBondContact OE2-CD 3.5Å; E283-K329 WeakPolarHBondContact OE2-CE 3.3Å; E283-K329 IonicContact OE2-NZ 2.59Å; E283-K329 PolarHBondContact OE2-NZ 3.32Å |
| 330 | C | 96.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 135 | -179.2 | 177.9 | 0 | 0 | 0 | 0 | 111 | V24 A25 C240 L241 S278 V279 | V24-C330 CarbonylContact C-O 3.54Å; V24-C330 WeakPolarHBondContact CA-O 3.47Å; A25-C330 HydrophobicContact CB-CB 4.41Å; A25-C330 PolarHBondContact N-O 3.25Å; A25-C330 PolarHBondContact O-N 3.44Å; C240-C330 HydrophobicContact CB-CB 4.27Å; L241-C330 HydrophobicContact CD1-CB 4.47Å; L241-C330 HydrophobicContact CD2-CB 3.77Å; L241-C330 HydrophobicContact CG-CB 3.98Å; S278-C330 WeakPolarHBondContact CB-SG 3.31Å; V279-C330 WeakPolarHBondContact O-CA 3.42Å |
| 331 | I | 97.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 139 | 163.2 | 58.5 | 174.8 | 0 | 0 | 0 | 109.4 | F22 L23 V24 S278 V279 F281 L347 L350 H351 F718 | F22-I331 HydrophobicContact CZ-CB 4.04Å; F22-I331 HydrophobicContact CZ-CG2 4.28Å; L23-I331 CarbonylContact O-C 3.48Å; L23-I331 WeakPolarHBondContact O-CA 3.32Å; V24-I331 HydrophobicContact CG2-CG2 4.46Å; S278-I331 CarbonylContact C-O 3.55Å; S278-I331 VanDerWaalsContact CA-O 3.26Å; S278-I331 WeakPolarHBondContact CA-O 3.28Å; V279-I331 HydrophobicContact CB-CG1 4.1Å; V279-I331 PolarHBondContact N-O 3.46Å; V279-I331 PolarHBondContact O-N 2.82Å; V279-I331 VanDerWaalsContact O-N 3.11Å; F281-I331 HydrophobicContact CE1-CG1 4.18Å; F281-I331 HydrophobicContact CE1-CG2 4.1Å; F281-I331 HydrophobicContact CZ-CG2 4.3Å; I331-L347 HydrophobicContact CB-CD2 4.48Å; I331-L347 HydrophobicContact CD1-CB 4.22Å; I331-L347 HydrophobicContact CD1-CD2 3.99Å; I331-L347 WeakPolarHBondContact CD1-O 3.22Å; I331-L347 HydrophobicContact CG1-CD2 4.04Å; I331-L350 HydrophobicContact CD1-CB 4.49Å; I331-H351 HydrophobicContact CD1-CB 4.17Å; I331-F718 HydrophobicContact CD1-CE2 4.12Å; I331-F718 HydrophobicContact CG2-CD1 3.79Å; I331-F718 HydrophobicContact CG2-CD2 3.83Å; I331-F718 HydrophobicContact CG2-CE1 3.65Å; I331-F718 HydrophobicContact CG2-CE2 3.7Å; I331-F718 HydrophobicContact CG2-CG 3.88Å; I331-F718 HydrophobicContact CG2-CZ 3.61Å |
| 332 | C | 97.6 | Very high | 91 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 140.6 | -171.4 | -177.9 | 0 | 0 | 0 | 0 | 112 | F22 L23 C240 A277 | F22-C332 CarbonylContact C-O 3.58Å; F22-C332 WeakPolarHBondContact CA-O 3.42Å; L23-C332 HydrophobicContact CB-CB 4.27Å; L23-C332 PolarHBondContact N-O 2.94Å; L23-C332 PolarHBondContact O-N 2.89Å; C240-C332 VanDerWaalsContact SG-SG 3.65Å; A277-C332 CarbonylContact O-C 3.37Å; A277-C332 VanDerWaalsContact O-CA 3.27Å; A277-C332 WeakPolarHBondContact O-CA 3.34Å; A277-C332 PolarHBondContact O-SG 3.27Å |
| 333 | V | 97.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 130.3 | 168 | 165.7 | 0 | 0 | 0 | 0 | 108.5 | F19 Y21 F22 G276 A277 F343 Y346 L347 | F19-V333 HydrophobicContact CB-CG1 3.28Å; F19-V333 HydrophobicContact CD1-CG1 4.09Å; F19-V333 HydrophobicContact CD2-CG1 3.99Å; F19-V333 HydrophobicContact CG-CG1 3.53Å; Y21-V333 WeakPolarHBondContact O-CA 3.43Å; F22-V333 HydrophobicContact CD2-CG2 3.84Å; F22-V333 HydrophobicContact CE2-CG2 4.38Å; G276-V333 WeakPolarHBondContact CA-O 3.27Å; A277-V333 PolarHBondContact N-O 3.18Å; A277-V333 PolarHBondContact O-N 2.71Å; V333-F343 HydrophobicContact CG1-CD1 3.98Å; V333-F343 HydrophobicContact CG1-CD2 4.38Å; V333-F343 HydrophobicContact CG1-CE1 3.82Å; V333-F343 HydrophobicContact CG1-CE2 4.23Å; V333-F343 HydrophobicContact CG1-CG 4.27Å; V333-F343 HydrophobicContact CG1-CZ 3.95Å; V333-Y346 HydrophobicContact CG2-CD1 4.41Å; V333-Y346 HydrophobicContact CG2-CE1 4.36Å; V333-L347 HydrophobicContact CG2-CD2 3.87Å; V333-L347 HydrophobicContact CG2-CG 4.44Å |
| 334 | V | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 126.2 | 173.9 | -176.6 | 0 | 0 | 0 | 0 | 109.1 | D20 Y21 L23 V236 L274 Y275 | D20-V334 PolarHBondContact N-O 3.16Å; Y21-V334 PolarHBondContact N-O 3.11Å; Y21-V334 PolarHBondContact O-N 2.79Å; L23-V334 HydrophobicContact CD1-CG2 3.65Å; L23-V334 HydrophobicContact CG-CG2 4.46Å; V236-V334 HydrophobicContact CG1-CG2 4.29Å; L274-V334 HydrophobicContact CB-CG1 4.17Å; Y275-V334 WeakPolarHBondContact O-CA 3.49Å |
| 335 | S | 93.5 | Very high | 93.1 | 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 | -140.1 | 151.9 | -177 | -177 | 0 | 0 | 0 | 0 | 111.4 | I18 Y275 F337 | I18-S335 WeakPolarHBondContact O-CB 3.01Å; I18-S335 PolarHBondContact O-OG 3.01Å; Y275-S335 WeakPolarHBondContact CA-O 3.48Å; Y275-S335 WeakPolarHBondContact CB-O 3.35Å; Y275-S335 PolarHBondContact N-O 2.83Å; Y275-S335 PolarHBondContact O-N 3.47Å; S335-F337 WeakPolarHBondContact CB-O 3.39Å; S335-F337 PolarHBondContact O-N 3.27Å; S335-F337 PolarHBondContact OG-N 2.99Å; S335-F337 PolarHBondContact OG-O 3.35Å |
| 336 | R | 88 | Confident | 93.3 | Very high | 29 Ų | 29 | 24 Ų | 24 | 11% | 0.109 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -68.7 | -12.6 | 164.4 | -69.3 | 172.3 | -71.4 | 160.7 | -1.8 | 113.2 | D20 Y230 L274 Y275 | D20-R336 IonicContact OD1-CZ 2.79Å; D20-R336 IonicContact OD1-NE 3.19Å; D20-R336 IonicContact OD1-NH2 3.95Å; D20-R336 PolarHBondContact OD1-NH2 3.45Å; D20-R336 IonicContact OD2-CZ 3.96Å; D20-R336 PolarHBondContact OD2-N 3.26Å; D20-R336 IonicContact OD2-NE 3.2Å; D20-R336 PolarHBondContact OD2-NE 3.28Å; D20-R336 IonicContact OD2-NH2 2.76Å; Y230-R336 HydrophobicContact CD1-CG 4.48Å; Y230-R336 HydrophobicContact CE1-CG 4.48Å; Y230-R336 VanDerWaalsContact CE2-CD 3.49Å; Y230-R336 VanDerWaalsContact CE2-CZ 3.45Å; Y230-R336 PolarHBondContact OH-NH1 2.94Å; L274-R336 HydrophobicContact CD2-CG 3.85Å; Y275-R336 WeakPolarHBondContact CD2-O 3.23Å; Y275-R336 VanDerWaalsContact CE2-O 3.32Å; Y275-R336 WeakPolarHBondContact CE2-O 3.29Å |
| 337 | F | 91 | Very high | 93.6 | Very high | 17 Ų | 17 | 23.4 Ų | 23.4 | 8% | 0.075 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -119.4 | 131.3 | -175.6 | -57.5 | -80.3 | 0 | 0 | 0 | 111.8 | L16 S335 F339 F343 F376 P398 L405 | L16-F337 HydrophobicContact CD1-CZ 4.3Å; L16-F337 HydrophobicContact CD2-CE2 4.25Å; L16-F337 HydrophobicContact CD2-CZ 3.95Å; S335-F337 WeakPolarHBondContact CB-O 3.39Å; S335-F337 PolarHBondContact O-N 3.27Å; S335-F337 PolarHBondContact OG-N 2.99Å; S335-F337 PolarHBondContact OG-O 3.35Å; F337-F339 VanDerWaalsContact C-N 3.31Å; F337-F339 HydrophobicContact CB-CD2 3.82Å; F337-F339 HydrophobicContact CB-CE2 3.36Å; F337-F339 HydrophobicContact CB-CZ 3.78Å; F337-F339 HydrophobicContact CG-CE2 4.1Å; F337-F339 HydrophobicContact CG-CZ 4.34Å; F337-F339 PolarHBondContact O-N 3.03Å; F337-F343 WeakPolarHBondContact O-CE2 3.44Å; F337-F376 HydrophobicContact CD1-CE2 4.16Å; F337-F376 AromaticContact CD1-CZ 3.71Å; F337-F376 HydrophobicContact CD1-CZ 3.71Å; F337-F376 HydrophobicContact CD2-CD2 4.48Å; F337-F376 AromaticContact CD2-CE2 3.37Å; F337-F376 HydrophobicContact CD2-CE2 3.37Å; F337-F376 AromaticContact CD2-CZ 3.73Å; F337-F376 HydrophobicContact CD2-CZ 3.73Å; F337-F376 HydrophobicContact CE1-CE1 4.41Å; F337-F376 HydrophobicContact CE1-CE2 4.23Å; F337-F376 AromaticContact CE1-CZ 3.54Å; F337-F376 HydrophobicContact CE1-CZ 3.54Å; F337-F376 HydrophobicContact CE2-CD2 4.4Å; F337-F376 AromaticContact CE2-CE2 3.44Å; F337-F376 HydrophobicContact CE2-CE2 3.44Å; F337-F376 VanDerWaalsContact CE2-CE2 3.44Å; F337-F376 AromaticContact CE2-CZ 3.56Å; F337-F376 HydrophobicContact CE2-CZ 3.56Å; F337-F376 AromaticContact CG-CE2 3.75Å; F337-F376 HydrophobicContact CG-CE2 3.75Å; F337-F376 AromaticContact CG-CZ 3.8Å; F337-F376 HydrophobicContact CG-CZ 3.8Å; F337-F376 HydrophobicContact CZ-CE1 4.26Å; F337-F376 AromaticContact CZ-CE2 3.88Å; F337-F376 HydrophobicContact CZ-CE2 3.88Å; F337-F376 AromaticContact CZ-CZ 3.46Å; F337-F376 HydrophobicContact CZ-CZ 3.46Å; F337-F376 VanDerWaalsContact CZ-CZ 3.46Å; F337-P398 HydrophobicContact CD1-CB 4.14Å; F337-P398 HydrophobicContact CD1-CG 3.56Å; F337-P398 HydrophobicContact CE1-CG 4Å; F337-P398 HydrophobicContact CG-CG 4.34Å; F337-L405 HydrophobicContact CD1-CD2 3.71Å; F337-L405 HydrophobicContact CE1-CD2 4.28Å |
| 338 | P | 91.4 | Very high | 93.6 | Very high | 18 Ų | 18 | 24.5 Ų | 24.5 | 12% | 0.117 | 12% | 0.115 | C | C | . | . | trans | -85 | 59.6 | -171.3 | 34.9 | -36.6 | 0 | 0 | 0 | 113.2 | Y275 F340 L405 | Y275-P338 HydrophobicContact CD1-CB 3.74Å; Y275-P338 HydrophobicContact CD2-CB 4.06Å; Y275-P338 HydrophobicContact CD2-CG 4.45Å; Y275-P338 HydrophobicContact CE1-CB 3.97Å; Y275-P338 HydrophobicContact CE1-CG 4.42Å; Y275-P338 HydrophobicContact CE2-CB 4.26Å; Y275-P338 HydrophobicContact CE2-CG 4.25Å; Y275-P338 HydrophobicContact CG-CB 3.78Å; P338-F340 HydrophobicContact CB-CD2 4.36Å; P338-F340 HydrophobicContact CB-CE2 4.08Å; P338-F340 HydrophobicContact CB-CZ 4.22Å; P338-F340 PolarHBondContact O-N 3.38Å; P338-L405 HydrophobicContact CG-CD1 4.01Å; P338-L405 HydrophobicContact CG-CG 4.1Å | ||
| 339 | F | 92.4 | Very high | 93.5 | Very high | 20 Ų | 20 | 25.4 Ų | 25.4 | 9% | 0.088 | 12% | 0.118 | C | C | . | . | trans | -75.7 | 43.5 | 177.7 | -56.3 | -61.5 | 0 | 0 | 0 | 113.4 | I18 F337 A342 F343 F376 F395 D396 P398 | I18-F339 HydrophobicContact CG2-CD2 4.27Å; F337-F339 VanDerWaalsContact C-N 3.31Å; F337-F339 HydrophobicContact CB-CD2 3.82Å; F337-F339 HydrophobicContact CB-CE2 3.36Å; F337-F339 HydrophobicContact CB-CZ 3.78Å; F337-F339 HydrophobicContact CG-CE2 4.1Å; F337-F339 HydrophobicContact CG-CZ 4.34Å; F337-F339 PolarHBondContact O-N 3.03Å; F339-A342 HydrophobicContact CB-CB 4.21Å; F339-A342 WeakPolarHBondContact O-CB 3.27Å; F339-A342 PolarHBondContact O-N 3.29Å; F339-F343 HydrophobicContact CB-CD1 4.34Å; F339-F343 HydrophobicContact CB-CD2 4.13Å; F339-F343 HydrophobicContact CB-CE1 4.03Å; F339-F343 HydrophobicContact CB-CE2 3.81Å; F339-F343 HydrophobicContact CB-CG 4.39Å; F339-F343 HydrophobicContact CB-CZ 3.76Å; F339-F343 HydrophobicContact CD2-CE1 4.32Å; F339-F343 HydrophobicContact CD2-CE2 4.45Å; F339-F343 AromaticContact CD2-CZ 3.82Å; F339-F343 HydrophobicContact CD2-CZ 3.82Å; F339-F343 HydrophobicContact CG-CZ 4.29Å; F339-F343 WeakPolarHBondContact O-CD2 3.41Å; F339-F343 WeakPolarHBondContact O-CG 3.41Å; F339-F343 PolarHBondContact O-N 2.71Å; F339-F376 AromaticContact CE2-CE2 3.9Å; F339-F376 HydrophobicContact CE2-CE2 3.9Å; F339-F376 AromaticContact CZ-CE2 3.91Å; F339-F376 HydrophobicContact CZ-CE2 3.91Å; F339-F376 HydrophobicContact CZ-CZ 4.19Å; F339-F395 HydrophobicContact CB-CD1 3.99Å; F339-F395 HydrophobicContact CB-CE1 4.05Å; F339-F395 HydrophobicContact CD1-CD1 4.19Å; F339-F395 AromaticContact CD2-CD1 3.94Å; F339-F395 HydrophobicContact CD2-CD1 3.94Å; F339-F395 HydrophobicContact CD2-CE1 4.31Å; F339-F395 HydrophobicContact CE2-CD1 4.44Å; F339-F395 AromaticContact CG-CD1 3.79Å; F339-F395 HydrophobicContact CG-CD1 3.79Å; F339-F395 HydrophobicContact CG-CE1 4.26Å; F339-D396 WeakPolarHBondContact CE1-O 3.2Å; F339-P398 HydrophobicContact CE1-CB 4.33Å; F339-P398 HydrophobicContact CE1-CG 4.17Å; F339-P398 HydrophobicContact CZ-CB 4.49Å; F339-P398 HydrophobicContact CZ-CG 3.9Å | ||
| 340 | F | 92.2 | Very high | 93.4 | Very high | 18 Ų | 18 | 23.1 Ų | 23.1 | 8% | 0.079 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -53.4 | -44.4 | -170.1 | -60.4 | -42.1 | 0 | 0 | 0 | 115.1 | F261 T263 Y275 A277 P338 A342 F343 R344 T446 | F261-F340 HydrophobicContact CZ-CB 4.45Å; T263-F340 HydrophobicContact CG2-CB 4.15Å; T263-F340 HydrophobicContact CG2-CD1 3.56Å; T263-F340 HydrophobicContact CG2-CD2 4.21Å; T263-F340 HydrophobicContact CG2-CE1 3.84Å; T263-F340 HydrophobicContact CG2-CE2 4.44Å; T263-F340 HydrophobicContact CG2-CG 3.74Å; T263-F340 HydrophobicContact CG2-CZ 4.27Å; Y275-F340 HydrophobicContact CD1-CE2 4.46Å; Y275-F340 AromaticContact CD1-CZ 3.81Å; Y275-F340 HydrophobicContact CD1-CZ 3.81Å; Y275-F340 HydrophobicContact CG-CZ 4.3Å; A277-F340 HydrophobicContact CB-CD1 4.11Å; P338-F340 HydrophobicContact CB-CD2 4.36Å; P338-F340 HydrophobicContact CB-CE2 4.08Å; P338-F340 HydrophobicContact CB-CZ 4.22Å; P338-F340 PolarHBondContact O-N 3.38Å; F340-A342 VanDerWaalsContact C-N 3.31Å; F340-A342 PolarHBondContact O-N 3.11Å; F340-F343 HydrophobicContact CD1-CD2 4.47Å; F340-F343 PolarHBondContact O-N 3.05Å; F340-R344 WeakPolarHBondContact O-CB 3.27Å; F340-R344 PolarHBondContact O-N 2.8Å; F340-T446 HydrophobicContact CE2-CG2 4.43Å |
| 341 | P | 87.5 | Confident | 93.3 | Very high | 99 Ų | 99 | 23.4 Ų | 23.4 | 64% | 0.643 | 11% | 0.11 | S | C | * | . | H | α-helix | trans | -63.1 | -37.6 | 177.4 | -22.7 | 35.2 | 0 | 0 | 0 | 112.8 | R345 | P341-R345 PolarHBondContact O-N 3.26Å |
| 342 | A | 91.4 | Very high | 93 | Very high | 7 Ų | 7 | 28.5 Ų | 28.5 | 6% | 0.058 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -71.9 | -46.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | F339 F340 R344 R345 Y346 I393 F395 | F339-A342 HydrophobicContact CB-CB 4.21Å; F339-A342 WeakPolarHBondContact O-CB 3.27Å; F339-A342 PolarHBondContact O-N 3.29Å; F340-A342 VanDerWaalsContact C-N 3.31Å; F340-A342 PolarHBondContact O-N 3.11Å; A342-R344 VanDerWaalsContact C-N 3.3Å; A342-R344 PolarHBondContact O-N 2.96Å; A342-R345 PolarHBondContact O-N 3Å; A342-Y346 WeakPolarHBondContact O-CB 3.4Å; A342-Y346 PolarHBondContact O-N 3.15Å; A342-I393 HydrophobicContact CB-CG2 3.6Å; A342-F395 HydrophobicContact CB-CD1 3.92Å; A342-F395 HydrophobicContact CB-CE1 3.53Å; A342-F395 HydrophobicContact CB-CZ 3.87Å |
| 343 | F | 95.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.6 | -39 | 175.2 | -64.4 | -30.6 | 0 | 0 | 0 | 112.3 | I18 F19 A277 V333 F337 F339 F340 Y346 L347 F395 | I18-F343 HydrophobicContact CG2-CE1 3.8Å; I18-F343 HydrophobicContact CG2-CZ 4.39Å; I18-F343 WeakPolarHBondContact O-CZ 3.46Å; F19-F343 HydrophobicContact CB-CE1 4.36Å; F19-F343 HydrophobicContact CB-CZ 4.28Å; A277-F343 HydrophobicContact CB-CB 3.66Å; A277-F343 HydrophobicContact CB-CD2 3.85Å; A277-F343 HydrophobicContact CB-CG 4.16Å; V333-F343 HydrophobicContact CG1-CD1 3.98Å; V333-F343 HydrophobicContact CG1-CD2 4.38Å; V333-F343 HydrophobicContact CG1-CE1 3.82Å; V333-F343 HydrophobicContact CG1-CE2 4.23Å; V333-F343 HydrophobicContact CG1-CG 4.27Å; V333-F343 HydrophobicContact CG1-CZ 3.95Å; F337-F343 WeakPolarHBondContact O-CE2 3.44Å; F339-F343 HydrophobicContact CB-CD1 4.34Å; F339-F343 HydrophobicContact CB-CD2 4.13Å; F339-F343 HydrophobicContact CB-CE1 4.03Å; F339-F343 HydrophobicContact CB-CE2 3.81Å; F339-F343 HydrophobicContact CB-CG 4.39Å; F339-F343 HydrophobicContact CB-CZ 3.76Å; F339-F343 HydrophobicContact CD2-CE1 4.32Å; F339-F343 HydrophobicContact CD2-CE2 4.45Å; F339-F343 AromaticContact CD2-CZ 3.82Å; F339-F343 HydrophobicContact CD2-CZ 3.82Å; F339-F343 HydrophobicContact CG-CZ 4.29Å; F339-F343 WeakPolarHBondContact O-CD2 3.41Å; F339-F343 WeakPolarHBondContact O-CG 3.41Å; F339-F343 PolarHBondContact O-N 2.71Å; F340-F343 HydrophobicContact CD1-CD2 4.47Å; F340-F343 PolarHBondContact O-N 3.05Å; F343-Y346 PolarHBondContact O-N 3.33Å; F343-L347 WeakPolarHBondContact O-CB 3.48Å; F343-L347 VanDerWaalsContact O-CG 3.29Å; F343-L347 WeakPolarHBondContact O-CG 3.47Å; F343-L347 PolarHBondContact O-N 3.1Å; F343-F395 HydrophobicContact CD1-CE1 4.4Å; F343-F395 HydrophobicContact CE1-CE1 4.14Å |
| 344 | R | 93.2 | Very high | 92.4 | Very high | 119 Ų | 119 | 28.6 Ų | 28.6 | 45% | 0.449 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -58 | -50.5 | 173.8 | -177.2 | 174.3 | 177.4 | -118.2 | -3.1 | 111.8 | F261 F340 A342 Y346 L348 | F261-R344 HydrophobicContact CB-CG 4.22Å; F261-R344 HydrophobicContact CD1-CB 4.2Å; F261-R344 HydrophobicContact CD1-CG 3.99Å; F261-R344 HydrophobicContact CD2-CB 3.82Å; F261-R344 HydrophobicContact CD2-CG 3.73Å; F261-R344 HydrophobicContact CE1-CB 3.96Å; F261-R344 HydrophobicContact CE1-CG 4.26Å; F261-R344 HydrophobicContact CE2-CB 3.57Å; F261-R344 HydrophobicContact CE2-CG 4.04Å; F261-R344 HydrophobicContact CG-CB 4.13Å; F261-R344 HydrophobicContact CG-CG 3.7Å; F261-R344 HydrophobicContact CZ-CB 3.64Å; F261-R344 HydrophobicContact CZ-CG 4.29Å; F340-R344 WeakPolarHBondContact O-CB 3.27Å; F340-R344 PolarHBondContact O-N 2.8Å; A342-R344 VanDerWaalsContact C-N 3.3Å; A342-R344 PolarHBondContact O-N 2.96Å; R344-Y346 VanDerWaalsContact C-N 3.31Å; R344-Y346 PolarHBondContact O-N 2.98Å; R344-L348 HydrophobicContact CG-CD1 3.88Å; R344-L348 WeakPolarHBondContact O-CB 3.46Å; R344-L348 WeakPolarHBondContact O-CD1 3.49Å; R344-L348 VanDerWaalsContact O-CG 3.23Å; R344-L348 WeakPolarHBondContact O-CG 3.47Å; R344-L348 PolarHBondContact O-N 2.99Å; R344-L348 VanDerWaalsContact O-N 3.1Å |
| 345 | R | 90.3 | Very high | 92.1 | Very high | 94 Ų | 94 | 31 Ų | 31 | 36% | 0.355 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -62.4 | -42.7 | 178.8 | -68 | 176.7 | 99.7 | 149.9 | 3.4 | 110.6 | P341 A342 Y349 I393 D567 | P341-R345 PolarHBondContact O-N 3.26Å; A342-R345 PolarHBondContact O-N 3Å; R345-Y349 WeakPolarHBondContact O-CB 3.47Å; R345-Y349 PolarHBondContact O-N 3.43Å; R345-I393 HydrophobicContact CB-CD1 3.91Å; R345-I393 HydrophobicContact CB-CG1 4.04Å; R345-D567 IonicContact NH1-OD2 3.6Å; R345-D567 PolarHBondContact NH1-OD2 3.12Å; R345-D567 IonicContact NH2-OD2 3.91Å |
| 346 | Y | 95 | Very high | 91.5 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.008 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.5 | -53 | -180 | 178.9 | -109.1 | 0 | 0 | 0 | 112.8 | V333 A342 F343 R344 L348 Y349 L350 Y366 I367 L370 L388 I393 | V333-Y346 HydrophobicContact CG2-CD1 4.41Å; V333-Y346 HydrophobicContact CG2-CE1 4.36Å; A342-Y346 WeakPolarHBondContact O-CB 3.4Å; A342-Y346 PolarHBondContact O-N 3.15Å; F343-Y346 PolarHBondContact O-N 3.33Å; R344-Y346 VanDerWaalsContact C-N 3.31Å; R344-Y346 PolarHBondContact O-N 2.98Å; Y346-L348 PolarHBondContact O-N 3.2Å; Y346-Y349 WeakPolarHBondContact O-CB 3.28Å; Y346-Y349 PolarHBondContact O-N 2.86Å; Y346-Y349 VanDerWaalsContact O-N 3.13Å; Y346-L350 HydrophobicContact CD1-CD1 4.25Å; Y346-L350 HydrophobicContact CE1-CD1 3.6Å; Y346-L350 HydrophobicContact CE1-CG 4.33Å; Y346-L350 HydrophobicContact CE2-CD1 4.38Å; Y346-L350 HydrophobicContact CE2-CD2 4.39Å; Y346-L350 HydrophobicContact CE2-CG 4.38Å; Y346-L350 PolarHBondContact O-N 3.15Å; Y346-Y366 VanDerWaalsContact OH-C 3.29Å; Y346-Y366 PolarHBondContact OH-O 3.32Å; Y346-I367 VanDerWaalsContact OH-CA 3.25Å; Y346-I367 WeakPolarHBondContact OH-CA 3.23Å; Y346-I367 PolarHBondContact OH-N 2.87Å; Y346-L370 HydrophobicContact CD1-CD2 3.85Å; Y346-L370 HydrophobicContact CD2-CD2 3.64Å; Y346-L370 HydrophobicContact CE1-CD2 3.72Å; Y346-L370 HydrophobicContact CE2-CB 4.14Å; Y346-L370 HydrophobicContact CE2-CD2 3.51Å; Y346-L370 HydrophobicContact CE2-CG 4.41Å; Y346-L370 HydrophobicContact CG-CD2 3.8Å; Y346-L388 HydrophobicContact CD2-CD1 3.79Å; Y346-L388 HydrophobicContact CE2-CD1 4.32Å; Y346-I393 HydrophobicContact CD2-CD1 4.4Å |
| 347 | L | 96.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.4 | -40.5 | -179.5 | -68.7 | 171.4 | 0 | 0 | 0 | 112 | F22 A277 V279 I331 V333 F343 Y349 L350 H351 | F22-L347 HydrophobicContact CE2-CD2 3.86Å; A277-L347 HydrophobicContact CB-CD1 4.37Å; A277-L347 WeakPolarHBondContact O-CD1 3.46Å; V279-L347 HydrophobicContact CB-CB 4.26Å; V279-L347 HydrophobicContact CG2-CB 3.48Å; V279-L347 VanDerWaalsContact CG2-CB 3.48Å; V279-L347 HydrophobicContact CG2-CD1 4.13Å; V279-L347 HydrophobicContact CG2-CG 4.45Å; I331-L347 HydrophobicContact CB-CD2 4.48Å; I331-L347 HydrophobicContact CD1-CB 4.22Å; I331-L347 HydrophobicContact CD1-CD2 3.99Å; I331-L347 WeakPolarHBondContact CD1-O 3.22Å; I331-L347 HydrophobicContact CG1-CD2 4.04Å; V333-L347 HydrophobicContact CG2-CD2 3.87Å; V333-L347 HydrophobicContact CG2-CG 4.44Å; F343-L347 WeakPolarHBondContact O-CB 3.48Å; F343-L347 VanDerWaalsContact O-CG 3.29Å; F343-L347 WeakPolarHBondContact O-CG 3.47Å; F343-L347 PolarHBondContact O-N 3.1Å; L347-Y349 VanDerWaalsContact C-N 3.29Å; L347-Y349 PolarHBondContact O-N 3.31Å; L347-L350 PolarHBondContact O-N 3.02Å; L347-H351 WeakPolarHBondContact O-CB 3.34Å; L347-H351 PolarHBondContact O-N 2.85Å |
| 348 | L | 93.6 | Very high | 90.9 | Very high | 37 Ų | 37 | 42 Ų | 42 | 19% | 0.194 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.2 | -31.3 | 174.7 | -70.9 | 172.4 | 0 | 0 | 0 | 112.4 | Q259 V279 R344 Y346 R352 | Q259-L348 HydrophobicContact CB-CD2 4.09Å; V279-L348 HydrophobicContact CG1-CD2 3.97Å; V279-L348 HydrophobicContact CG2-CD2 4.19Å; V279-L348 HydrophobicContact CG2-CG 4.27Å; R344-L348 HydrophobicContact CG-CD1 3.88Å; R344-L348 WeakPolarHBondContact O-CB 3.46Å; R344-L348 WeakPolarHBondContact O-CD1 3.49Å; R344-L348 VanDerWaalsContact O-CG 3.23Å; R344-L348 WeakPolarHBondContact O-CG 3.47Å; R344-L348 PolarHBondContact O-N 2.99Å; R344-L348 VanDerWaalsContact O-N 3.1Å; Y346-L348 PolarHBondContact O-N 3.2Å; L348-R352 WeakPolarHBondContact O-CB 3.37Å; L348-R352 VanDerWaalsContact O-CG 3.27Å; L348-R352 WeakPolarHBondContact O-CG 3.4Å; L348-R352 PolarHBondContact O-N 3.36Å; L348-R352 VanDerWaalsContact O-N 3.11Å; L348-R352 PolarHBondContact O-NE 3.37Å |
| 349 | Y | 92.4 | Very high | 90.8 | Very high | 25 Ų | 25 | 44.1 Ų | 44.1 | 10% | 0.098 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.6 | -51.6 | 172 | 179.4 | -91.3 | 0 | 0 | 0 | 110.9 | R345 Y346 L347 H351 R352 M353 Y366 L388 | R345-Y349 WeakPolarHBondContact O-CB 3.47Å; R345-Y349 PolarHBondContact O-N 3.43Å; Y346-Y349 WeakPolarHBondContact O-CB 3.28Å; Y346-Y349 PolarHBondContact O-N 2.86Å; Y346-Y349 VanDerWaalsContact O-N 3.13Å; L347-Y349 VanDerWaalsContact C-N 3.29Å; L347-Y349 PolarHBondContact O-N 3.31Å; Y349-H351 VanDerWaalsContact C-N 3.34Å; Y349-H351 PolarHBondContact O-N 3.36Å; Y349-R352 PolarHBondContact O-N 3.17Å; Y349-M353 HydrophobicContact CD1-CG 4.35Å; Y349-M353 HydrophobicContact CD1-SD 3.81Å; Y349-M353 HydrophobicContact CE1-CG 4Å; Y349-M353 HydrophobicContact CE1-SD 3.26Å; Y349-M353 WeakPolarHBondContact CE1-SD 3.39Å; Y349-M353 WeakPolarHBondContact O-CG 2.97Å; Y349-M353 PolarHBondContact O-N 2.91Å; Y349-M353 VanDerWaalsContact O-N 3.09Å; Y349-Y366 HydrophobicContact CE1-CD1 4.17Å; Y349-Y366 AromaticContact CE1-CE1 3.85Å; Y349-Y366 HydrophobicContact CE1-CE1 3.85Å; Y349-L388 HydrophobicContact CD1-CB 4.07Å; Y349-L388 HydrophobicContact CD1-CD1 3.83Å; Y349-L388 HydrophobicContact CD1-CG 4.47Å; Y349-L388 HydrophobicContact CD2-CB 4.02Å; Y349-L388 HydrophobicContact CE1-CB 3.85Å; Y349-L388 HydrophobicContact CE1-CD1 4.27Å; Y349-L388 HydrophobicContact CE1-CG 4.46Å; Y349-L388 HydrophobicContact CE2-CB 3.8Å; Y349-L388 WeakPolarHBondContact CE2-O 3.41Å; Y349-L388 HydrophobicContact CG-CB 4.16Å; Y349-L388 HydrophobicContact CG-CD1 4.08Å |
| 350 | L | 93.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.1 | -45.8 | 177.7 | -65.2 | -176 | 0 | 0 | 0 | 112.1 | F22 I331 Y346 L347 R352 M353 C354 V363 Y366 I367 | F22-L350 HydrophobicContact CE2-CD1 3.71Å; F22-L350 HydrophobicContact CZ-CD1 4.12Å; I331-L350 HydrophobicContact CD1-CB 4.49Å; Y346-L350 HydrophobicContact CD1-CD1 4.25Å; Y346-L350 HydrophobicContact CE1-CD1 3.6Å; Y346-L350 HydrophobicContact CE1-CG 4.33Å; Y346-L350 HydrophobicContact CE2-CD1 4.38Å; Y346-L350 HydrophobicContact CE2-CD2 4.39Å; Y346-L350 HydrophobicContact CE2-CG 4.38Å; Y346-L350 PolarHBondContact O-N 3.15Å; L347-L350 PolarHBondContact O-N 3.02Å; L350-R352 PolarHBondContact O-N 3.32Å; L350-M353 HydrophobicContact CD2-SD 4.41Å; L350-M353 WeakPolarHBondContact O-CB 3.09Å; L350-M353 PolarHBondContact O-N 2.8Å; L350-C354 PolarHBondContact O-N 3.23Å; L350-C354 PolarHBondContact O-SG 3.04Å; L350-C354 VanDerWaalsContact O-SG 3.38Å; L350-V363 HydrophobicContact CD2-CG1 4.39Å; L350-Y366 HydrophobicContact CD2-CG 4.29Å; L350-I367 HydrophobicContact CD1-CG1 4.11Å |
| 351 | H | 94 | Very high | 90.4 | Very high | 7 Ų | 7 | 45.7 Ų | 45.7 | 3% | 0.032 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.4 | -41.8 | 178.4 | -178.1 | -99.5 | 0 | 0 | 0 | 112.5 | Q259 F281 I331 L347 Y349 M353 C354 L355 | Q259-H351 PolarHBondContact NE2-CE1 3.43Å; F281-H351 AromaticContact CD1-CD2 3.47Å; F281-H351 VanDerWaalsContact CD1-CD2 3.47Å; F281-H351 WeakPolarHBondContact CD1-CD2 3.33Å; F281-H351 AromaticContact CD1-NE2 3.57Å; F281-H351 AromaticContact CD2-CD2 3.86Å; F281-H351 AromaticContact CD2-NE2 3.3Å; F281-H351 VanDerWaalsContact CD2-NE2 3.3Å; F281-H351 WeakPolarHBondContact CD2-NE2 3.4Å; F281-H351 AromaticContact CE1-CD2 3.56Å; F281-H351 AromaticContact CE2-CD2 3.93Å; F281-H351 AromaticContact CE2-NE2 3.77Å; F281-H351 AromaticContact CG-CD2 3.63Å; F281-H351 AromaticContact CG-NE2 3.19Å; F281-H351 WeakPolarHBondContact CG-NE2 3.48Å; F281-H351 AromaticContact CZ-CD2 3.79Å; I331-H351 HydrophobicContact CD1-CB 4.17Å; L347-H351 WeakPolarHBondContact O-CB 3.34Å; L347-H351 PolarHBondContact O-N 2.85Å; Y349-H351 VanDerWaalsContact C-N 3.34Å; Y349-H351 PolarHBondContact O-N 3.36Å; H351-M353 VanDerWaalsContact C-N 3.28Å; H351-M353 PolarHBondContact O-N 2.95Å; H351-C354 WeakPolarHBondContact O-CB 3.08Å; H351-C354 PolarHBondContact O-N 3.19Å; H351-C354 VanDerWaalsContact O-N 3.1Å; H351-L355 PolarHBondContact O-N 2.94Å |
| 352 | R | 91.3 | Very high | 90.6 | Very high | 106 Ų | 106 | 41.5 Ų | 41.5 | 40% | 0.4 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.5 | -34.4 | 177.3 | -80.5 | -180 | -65.9 | 166.9 | 0.5 | 112.8 | L348 Y349 L350 C354 L355 S356 E391 | L348-R352 WeakPolarHBondContact O-CB 3.37Å; L348-R352 VanDerWaalsContact O-CG 3.27Å; L348-R352 WeakPolarHBondContact O-CG 3.4Å; L348-R352 PolarHBondContact O-N 3.36Å; L348-R352 VanDerWaalsContact O-N 3.11Å; L348-R352 PolarHBondContact O-NE 3.37Å; Y349-R352 PolarHBondContact O-N 3.17Å; L350-R352 PolarHBondContact O-N 3.32Å; R352-C354 VanDerWaalsContact C-N 3.26Å; R352-C354 PolarHBondContact O-N 3.39Å; R352-L355 PolarHBondContact O-N 3.49Å; R352-S356 PolarHBondContact O-N 2.68Å; R352-E391 IonicContact CZ-OE1 3.19Å; R352-E391 VanDerWaalsContact CZ-OE1 3.22Å; R352-E391 IonicContact CZ-OE2 3.79Å; R352-E391 IonicContact NH1-OE1 3.75Å; R352-E391 PolarHBondContact NH1-OE1 3.01Å; R352-E391 IonicContact NH2-OE1 2.57Å; R352-E391 PolarHBondContact NH2-OE1 2.99Å; R352-E391 IonicContact NH2-OE2 2.7Å; R352-E391 PolarHBondContact NH2-OE2 3.41Å |
| 353 | M | 90.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.9 | -37.7 | 173.8 | -68.2 | 175.3 | 68.2 | 0 | 0 | 111.9 | Y349 L350 H351 L355 Y359 Y366 | Y349-M353 HydrophobicContact CD1-CG 4.35Å; Y349-M353 HydrophobicContact CD1-SD 3.81Å; Y349-M353 HydrophobicContact CE1-CG 4Å; Y349-M353 HydrophobicContact CE1-SD 3.26Å; Y349-M353 WeakPolarHBondContact CE1-SD 3.39Å; Y349-M353 WeakPolarHBondContact O-CG 2.97Å; Y349-M353 PolarHBondContact O-N 2.91Å; Y349-M353 VanDerWaalsContact O-N 3.09Å; L350-M353 HydrophobicContact CD2-SD 4.41Å; L350-M353 WeakPolarHBondContact O-CB 3.09Å; L350-M353 PolarHBondContact O-N 2.8Å; H351-M353 VanDerWaalsContact C-N 3.28Å; H351-M353 PolarHBondContact O-N 2.95Å; M353-L355 VanDerWaalsContact C-N 3.33Å; M353-L355 PolarHBondContact O-N 2.8Å; M353-Y359 HydrophobicContact CB-CD2 4.16Å; M353-Y359 HydrophobicContact CB-CE2 3.76Å; M353-Y359 HydrophobicContact CE-CD1 3.85Å; M353-Y359 HydrophobicContact CE-CD2 3.98Å; M353-Y359 HydrophobicContact CE-CE1 4.4Å; M353-Y359 HydrophobicContact CE-CG 3.62Å; M353-Y359 HydrophobicContact CG-CD1 4.39Å; M353-Y359 HydrophobicContact CG-CD2 4.42Å; M353-Y359 HydrophobicContact CG-CE1 3.99Å; M353-Y359 HydrophobicContact CG-CE2 4.06Å; M353-Y359 WeakPolarHBondContact O-CE2 3.39Å; M353-Y366 HydrophobicContact CE-CD2 3.82Å; M353-Y366 HydrophobicContact CE-CE2 3.28Å; M353-Y366 HydrophobicContact SD-CD2 4.22Å; M353-Y366 HydrophobicContact SD-CE2 4.02Å |
| 354 | C | 92 | Very high | 90.7 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71.7 | -28.5 | 179.2 | -57 | 0 | 0 | 0 | 0 | 112.9 | L350 H351 R352 Y714 Q716 K717 F718 | L350-C354 PolarHBondContact O-N 3.23Å; L350-C354 PolarHBondContact O-SG 3.04Å; L350-C354 VanDerWaalsContact O-SG 3.38Å; H351-C354 WeakPolarHBondContact O-CB 3.08Å; H351-C354 PolarHBondContact O-N 3.19Å; H351-C354 VanDerWaalsContact O-N 3.1Å; R352-C354 VanDerWaalsContact C-N 3.26Å; R352-C354 PolarHBondContact O-N 3.39Å; C354-Y714 HydrophobicContact CB-CD2 4.45Å; C354-Y714 HydrophobicContact CB-CG 4.42Å; C354-Q716 WeakPolarHBondContact O-CA 3.23Å; C354-Q716 PolarHBondContact O-N 3.31Å; C354-K717 WeakPolarHBondContact CB-O 3.43Å; C354-F718 HydrophobicContact CB-CD2 4.42Å; C354-F718 VanDerWaalsContact SG-CD2 3.56Å |
| 355 | L | 88.1 | Confident | 90.7 | Very high | 51 Ų | 51 | 37.9 Ų | 37.9 | 27% | 0.267 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -77.1 | -25.7 | -178.5 | -65.6 | -176.1 | 0 | 0 | 0 | 114.2 | H351 R352 M353 | H351-L355 PolarHBondContact O-N 2.94Å; R352-L355 PolarHBondContact O-N 3.49Å; M353-L355 VanDerWaalsContact C-N 3.33Å; M353-L355 PolarHBondContact O-N 2.8Å |
| 356 | S | 81.5 | Confident | 90.8 | Very high | 75 Ų | 75 | 34.1 Ų | 34.1 | 52% | 0.524 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -162.9 | 148.3 | -174.2 | 63.5 | 0 | 0 | 0 | 0 | 113.5 | R352 Y359 | R352-S356 PolarHBondContact O-N 2.68Å; S356-Y359 WeakPolarHBondContact O-CE2 3.38Å; S356-Y359 PolarHBondContact O-OH 2.83Å |
| 357 | G | 81.5 | Confident | 90.8 | Very high | 53 Ų | 53 | 34 Ų | 34 | 55% | 0.546 | 18% | 0.18 | S | C | . | . | trans | 90.6 | 173.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 358 | K | 86 | Confident | 90.6 | Very high | 149 Ų | 149 | 34 Ų | 34 | 65% | 0.648 | 18% | 0.18 | S | C | * | . | trans | -119.5 | 133.4 | 169.9 | -66.7 | -175.3 | -178.5 | -177.8 | 0 | 108.2 | E711 F712 | K358-E711 HydrophobicContact CB-CB 4.16Å; K358-E711 HydrophobicContact CB-CG 4.46Å; K358-E711 HydrophobicContact CD-CB 4.27Å; K358-E711 WeakPolarHBondContact CD-OE2 3.29Å; K358-E711 IonicContact NZ-OE2 3.53Å; K358-F712 VanDerWaalsContact CA-O 3.32Å; K358-F712 WeakPolarHBondContact CA-O 3.49Å | ||
| 359 | Y | 87.8 | Confident | 90.5 | Very high | 61 Ų | 61 | 32.6 Ų | 32.6 | 24% | 0.239 | 17% | 0.172 | C | C | . | . | B | Isolated β-bridge | trans | -119.2 | 147.4 | -175.5 | -61.1 | -91.4 | 0 | 0 | 0 | 110.4 | M353 S356 L361 E711 F712 | M353-Y359 HydrophobicContact CB-CD2 4.16Å; M353-Y359 HydrophobicContact CB-CE2 3.76Å; M353-Y359 HydrophobicContact CE-CD1 3.85Å; M353-Y359 HydrophobicContact CE-CD2 3.98Å; M353-Y359 HydrophobicContact CE-CE1 4.4Å; M353-Y359 HydrophobicContact CE-CG 3.62Å; M353-Y359 HydrophobicContact CG-CD1 4.39Å; M353-Y359 HydrophobicContact CG-CD2 4.42Å; M353-Y359 HydrophobicContact CG-CE1 3.99Å; M353-Y359 HydrophobicContact CG-CE2 4.06Å; M353-Y359 WeakPolarHBondContact O-CE2 3.39Å; S356-Y359 WeakPolarHBondContact O-CE2 3.38Å; S356-Y359 PolarHBondContact O-OH 2.83Å; Y359-L361 PolarHBondContact O-N 3.15Å; Y359-E711 CarbonylContact O-C 3.55Å; Y359-E711 WeakPolarHBondContact O-CA 3.36Å; Y359-F712 PolarHBondContact N-O 3.14Å; Y359-F712 WeakPolarHBondContact O-CD2 3.3Å; Y359-F712 PolarHBondContact O-N 3.01Å |
| 360 | S | 87.2 | Confident | 90.6 | Very high | 60 Ų | 60 | 31.5 Ų | 31.5 | 42% | 0.42 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -73.6 | -16.6 | 179.9 | 57.7 | 0 | 0 | 0 | 0 | 113.8 | S706 A710 | S360-S706 WeakPolarHBondContact O-CB 3.41Å; S360-S706 PolarHBondContact O-OG 3.48Å; S360-A710 CarbonylContact C-O 3.6Å; S360-A710 WeakPolarHBondContact CA-O 3.4Å |
| 361 | L | 89.9 | Confident | 90.4 | Very high | 12 Ų | 12 | 31.7 Ų | 31.7 | 6% | 0.063 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -121.4 | 137 | 179.5 | -66.1 | 174.4 | 0 | 0 | 0 | 109.7 | Y359 R365 Y366 P703 P704 | Y359-L361 PolarHBondContact O-N 3.15Å; L361-R365 HydrophobicContact CD2-CG 4.26Å; L361-Y366 HydrophobicContact CB-CD2 4.26Å; L361-Y366 HydrophobicContact CB-CE2 3.54Å; L361-Y366 HydrophobicContact CD1-CE2 4.22Å; L361-P703 HydrophobicContact CD1-CB 3.68Å; L361-P704 WeakPolarHBondContact CD1-O 3.36Å; L361-P704 WeakPolarHBondContact CD2-O 3.4Å |
| 362 | P | 92.4 | Very high | 90.1 | Very high | 11 Ų | 11 | 32.6 Ų | 32.6 | 7% | 0.071 | 17% | 0.173 | C | C | . | . | trans | -73.7 | 153.6 | 175.7 | 31.9 | -33.3 | 0 | 0 | 0 | 111.1 | E364 R365 Y366 F712 Y714 L725 | P362-E364 WeakPolarHBondContact CB-OE2 3.38Å; P362-E364 PolarHBondContact O-N 3.49Å; P362-R365 HydrophobicContact CG-CB 3.94Å; P362-R365 WeakPolarHBondContact O-CB 3.42Å; P362-R365 PolarHBondContact O-N 3.04Å; P362-Y366 WeakPolarHBondContact O-CD2 3.2Å; P362-Y366 PolarHBondContact O-N 2.88Å; P362-F712 HydrophobicContact CB-CD1 3.91Å; P362-F712 HydrophobicContact CB-CD2 4.17Å; P362-F712 HydrophobicContact CB-CE1 3.97Å; P362-F712 HydrophobicContact CB-CE2 4.25Å; P362-F712 HydrophobicContact CB-CG 4.01Å; P362-F712 HydrophobicContact CB-CZ 4.14Å; P362-F712 HydrophobicContact CG-CE1 4.33Å; P362-F712 HydrophobicContact CG-CE2 4.18Å; P362-F712 HydrophobicContact CG-CZ 4.06Å; P362-Y714 VanDerWaalsContact CA-OH 3.29Å; P362-Y714 WeakPolarHBondContact CA-OH 3.38Å; P362-L725 HydrophobicContact CB-CB 4.3Å; P362-L725 HydrophobicContact CB-CD1 4.03Å; P362-L725 HydrophobicContact CG-CB 4.03Å; P362-L725 HydrophobicContact CG-CD1 4.48Å | ||
| 363 | V | 93.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -52 | -39.9 | 177.8 | 167.7 | 0 | 0 | 0 | 0 | 111.7 | L350 R365 Y366 I367 Y714 F718 | L350-V363 HydrophobicContact CD2-CG1 4.39Å; V363-R365 PolarHBondContact O-N 3.08Å; V363-Y366 WeakPolarHBondContact O-CB 3.3Å; V363-Y366 PolarHBondContact O-N 3.43Å; V363-Y366 VanDerWaalsContact O-N 3.08Å; V363-I367 HydrophobicContact CG1-CD1 4.06Å; V363-I367 WeakPolarHBondContact O-CG1 3.44Å; V363-I367 PolarHBondContact O-N 2.9Å; V363-I367 VanDerWaalsContact O-N 3.15Å; V363-Y714 HydrophobicContact CG2-CD2 4.48Å; V363-Y714 HydrophobicContact CG2-CE1 4.37Å; V363-Y714 HydrophobicContact CG2-CE2 3.68Å; V363-Y714 PolarHBondContact N-OH 3.26Å; V363-F718 HydrophobicContact CG1-CE2 4.26Å; V363-F718 HydrophobicContact CG1-CZ 4.03Å |
| 364 | E | 94.4 | Very high | 89.9 | Confident | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.019 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -55.4 | -38.1 | 175.7 | -66.5 | 88.2 | 160.5 | 0 | 0 | 112.5 | P362 I367 S368 L721 Q722 L725 F726 | P362-E364 WeakPolarHBondContact CB-OE2 3.38Å; P362-E364 PolarHBondContact O-N 3.49Å; E364-I367 WeakPolarHBondContact O-CB 3.37Å; E364-I367 PolarHBondContact O-N 2.83Å; E364-S368 PolarHBondContact O-N 3.34Å; E364-S368 PolarHBondContact O-OG 3.18Å; E364-L721 HydrophobicContact CG-CB 4.18Å; E364-L721 HydrophobicContact CG-CD2 4.07Å; E364-L721 WeakPolarHBondContact OE1-CA 3.41Å; E364-Q722 PolarHBondContact OE1-N 3.43Å; E364-L725 HydrophobicContact CB-CB 3.88Å; E364-L725 HydrophobicContact CG-CB 4.09Å; E364-F726 HydrophobicContact CB-CD1 3.97Å; E364-F726 HydrophobicContact CB-CD2 3.78Å; E364-F726 HydrophobicContact CB-CE1 3.98Å; E364-F726 HydrophobicContact CB-CE2 3.8Å; E364-F726 HydrophobicContact CB-CG 3.88Å; E364-F726 HydrophobicContact CB-CZ 3.9Å; E364-F726 HydrophobicContact CG-CD2 3.93Å; E364-F726 HydrophobicContact CG-CE1 4.33Å; E364-F726 HydrophobicContact CG-CE2 3.52Å; E364-F726 HydrophobicContact CG-CZ 3.75Å; E364-F726 WeakPolarHBondContact O-CD1 3.28Å |
| 365 | R | 91.9 | Very high | 89.5 | Confident | 45 Ų | 45 | 32.3 Ų | 32.3 | 17% | 0.17 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -71.2 | -33.2 | 179.1 | -172 | 58.3 | 176.8 | 141.4 | 2.4 | 112.1 | L361 P362 V363 I367 S368 F369 E373 | L361-R365 HydrophobicContact CD2-CG 4.26Å; P362-R365 HydrophobicContact CG-CB 3.94Å; P362-R365 WeakPolarHBondContact O-CB 3.42Å; P362-R365 PolarHBondContact O-N 3.04Å; V363-R365 PolarHBondContact O-N 3.08Å; R365-I367 VanDerWaalsContact C-N 3.29Å; R365-S368 PolarHBondContact NH1-OG 2.83Å; R365-S368 PolarHBondContact O-OG 3.43Å; R365-F369 WeakPolarHBondContact O-CB 3.22Å; R365-F369 PolarHBondContact O-N 2.94Å; R365-E373 IonicContact CZ-OE1 2.69Å; R365-E373 IonicContact NH1-OE1 2.85Å; R365-E373 PolarHBondContact NH1-OE1 2.98Å; R365-E373 IonicContact NH2-OE1 3.82Å; R365-E373 PolarHBondContact NH2-OE1 2.83Å; R365-E373 IonicContact NH2-OE2 3.11Å |
| 366 | Y | 93.3 | Very high | 89.4 | Confident | 16 Ų | 16 | 30.8 Ų | 30.8 | 6% | 0.063 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.9 | -31.8 | 172.4 | -73.4 | -92.7 | 0 | 0 | 0 | 112.1 | Y346 Y349 L350 M353 L361 P362 V363 L370 L388 P703 | Y346-Y366 VanDerWaalsContact OH-C 3.29Å; Y346-Y366 PolarHBondContact OH-O 3.32Å; Y349-Y366 HydrophobicContact CE1-CD1 4.17Å; Y349-Y366 AromaticContact CE1-CE1 3.85Å; Y349-Y366 HydrophobicContact CE1-CE1 3.85Å; L350-Y366 HydrophobicContact CD2-CG 4.29Å; M353-Y366 HydrophobicContact CE-CD2 3.82Å; M353-Y366 HydrophobicContact CE-CE2 3.28Å; M353-Y366 HydrophobicContact SD-CD2 4.22Å; M353-Y366 HydrophobicContact SD-CE2 4.02Å; L361-Y366 HydrophobicContact CB-CD2 4.26Å; L361-Y366 HydrophobicContact CB-CE2 3.54Å; L361-Y366 HydrophobicContact CD1-CE2 4.22Å; P362-Y366 WeakPolarHBondContact O-CD2 3.2Å; P362-Y366 PolarHBondContact O-N 2.88Å; V363-Y366 WeakPolarHBondContact O-CB 3.3Å; V363-Y366 PolarHBondContact O-N 3.43Å; V363-Y366 VanDerWaalsContact O-N 3.08Å; Y366-L370 PolarHBondContact O-N 2.81Å; Y366-L388 HydrophobicContact CD1-CD2 3.91Å; Y366-L388 HydrophobicContact CE1-CD2 4.09Å; Y366-P703 HydrophobicContact CD1-CB 4.46Å; Y366-P703 HydrophobicContact CD1-CG 3.89Å; Y366-P703 HydrophobicContact CE1-CB 4.16Å; Y366-P703 HydrophobicContact CE1-CG 3.61Å |
| 367 | I | 95.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -69.5 | -52.1 | 175.2 | -61.9 | 164.9 | 0 | 0 | 0 | 110.2 | F19 F22 F222 Y346 L350 V363 E364 R365 F369 L370 M371 L721 F726 | F19-I367 HydrophobicContact CE2-CG2 4.47Å; F19-I367 HydrophobicContact CZ-CG2 4.06Å; F22-I367 HydrophobicContact CB-CG2 3.77Å; F22-I367 HydrophobicContact CD1-CD1 3.65Å; F22-I367 HydrophobicContact CD1-CG1 4.44Å; F22-I367 HydrophobicContact CD2-CD1 4.09Å; F22-I367 HydrophobicContact CD2-CG1 4.05Å; F22-I367 HydrophobicContact CD2-CG2 4.25Å; F22-I367 HydrophobicContact CE1-CD1 3.57Å; F22-I367 HydrophobicContact CE2-CD1 4.02Å; F22-I367 HydrophobicContact CE2-CG1 4.12Å; F22-I367 HydrophobicContact CG-CD1 3.91Å; F22-I367 HydrophobicContact CG-CG1 4.22Å; F22-I367 HydrophobicContact CG-CG2 3.95Å; F22-I367 HydrophobicContact CZ-CD1 3.77Å; F22-I367 HydrophobicContact CZ-CG1 4.35Å; F222-I367 HydrophobicContact CD1-CG2 3.96Å; Y346-I367 VanDerWaalsContact OH-CA 3.25Å; Y346-I367 WeakPolarHBondContact OH-CA 3.23Å; Y346-I367 PolarHBondContact OH-N 2.87Å; L350-I367 HydrophobicContact CD1-CG1 4.11Å; V363-I367 HydrophobicContact CG1-CD1 4.06Å; V363-I367 WeakPolarHBondContact O-CG1 3.44Å; V363-I367 PolarHBondContact O-N 2.9Å; V363-I367 VanDerWaalsContact O-N 3.15Å; E364-I367 WeakPolarHBondContact O-CB 3.37Å; E364-I367 PolarHBondContact O-N 2.83Å; R365-I367 VanDerWaalsContact C-N 3.29Å; I367-F369 VanDerWaalsContact C-N 3.35Å; I367-F369 PolarHBondContact O-N 2.81Å; I367-L370 PolarHBondContact O-N 2.91Å; I367-M371 WeakPolarHBondContact O-CB 3.18Å; I367-M371 PolarHBondContact O-N 2.88Å; I367-M371 VanDerWaalsContact O-N 3.13Å; I367-L721 HydrophobicContact CD1-CD1 4.4Å; I367-L721 HydrophobicContact CD1-CD2 4.02Å; I367-F726 HydrophobicContact CB-CD1 4.48Å; I367-F726 HydrophobicContact CB-CE1 3.88Å; I367-F726 HydrophobicContact CD1-CE1 4.38Å; I367-F726 HydrophobicContact CG2-CE1 3.84Å |
| 368 | S | 91.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.9 | -37.5 | 178.1 | 59.6 | 0 | 0 | 0 | 0 | 112.9 | E364 R365 M371 F372 F726 | E364-S368 PolarHBondContact O-N 3.34Å; E364-S368 PolarHBondContact O-OG 3.18Å; R365-S368 PolarHBondContact NH1-OG 2.83Å; R365-S368 PolarHBondContact O-OG 3.43Å; S368-M371 PolarHBondContact O-N 2.86Å; S368-F372 WeakPolarHBondContact O-CD2 3.46Å; S368-F372 PolarHBondContact O-N 2.89Å; S368-F726 VanDerWaalsContact CB-O 3.27Å; S368-F726 WeakPolarHBondContact CB-O 3.24Å; S368-F726 PolarHBondContact OG-O 2.84Å |
| 369 | F | 92.2 | Very high | 88.2 | Confident | 7 Ų | 7 | 25.4 Ų | 25.4 | 3% | 0.031 | 13% | 0.128 | C | C | . | . | I | π-helix | trans | -57.6 | -52.4 | 176.3 | 169 | -106.7 | 0 | 0 | 0 | 112 | R365 I367 M371 E373 V374 V386 F701 A702 P703 | R365-F369 WeakPolarHBondContact O-CB 3.22Å; R365-F369 PolarHBondContact O-N 2.94Å; I367-F369 VanDerWaalsContact C-N 3.35Å; I367-F369 PolarHBondContact O-N 2.81Å; F369-M371 VanDerWaalsContact C-N 3.29Å; F369-M371 PolarHBondContact O-N 2.97Å; F369-E373 HydrophobicContact CD2-CB 3.72Å; F369-E373 HydrophobicContact CD2-CG 4.47Å; F369-E373 HydrophobicContact CE2-CB 4.11Å; F369-E373 WeakPolarHBondContact O-CA 3.48Å; F369-E373 WeakPolarHBondContact O-CB 3.42Å; F369-E373 PolarHBondContact O-N 2.84Å; F369-V374 HydrophobicContact CD1-CG2 4.12Å; F369-V374 HydrophobicContact CE1-CG2 3.63Å; F369-V374 HydrophobicContact CE2-CG2 4.14Å; F369-V374 HydrophobicContact CZ-CG2 3.63Å; F369-V374 PolarHBondContact O-N 2.75Å; F369-V374 VanDerWaalsContact O-N 3.16Å; F369-V386 HydrophobicContact CE1-CG1 3.85Å; F369-F701 HydrophobicContact CZ-CB 4.07Å; F369-A702 VanDerWaalsContact CE2-O 3.25Å; F369-A702 WeakPolarHBondContact CE2-O 3.35Å; F369-A702 VanDerWaalsContact CZ-O 3.26Å; F369-A702 WeakPolarHBondContact CZ-O 3.2Å; F369-P703 HydrophobicContact CD1-CB 4.29Å; F369-P703 HydrophobicContact CD1-CG 3.99Å; F369-P703 HydrophobicContact CE1-CB 4.4Å; F369-P703 HydrophobicContact CE1-CG 3.88Å; F369-P703 HydrophobicContact CG-CB 4.47Å; F369-P703 HydrophobicContact CZ-CG 4.47Å |
| 370 | L | 93.5 | Very high | 87 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -67.2 | -31.7 | -179.8 | -175 | 65.3 | 0 | 0 | 0 | 112.2 | I18 F19 Y346 Y366 I367 V374 V386 F395 | I18-L370 HydrophobicContact CD1-CD1 3.7Å; I18-L370 HydrophobicContact CD1-CG 4.47Å; I18-L370 HydrophobicContact CG2-CD1 4.38Å; I18-L370 HydrophobicContact CG2-CD2 4.47Å; I18-L370 HydrophobicContact CG2-CG 4.32Å; F19-L370 HydrophobicContact CD1-CD2 4.16Å; F19-L370 HydrophobicContact CD1-CG 4.28Å; F19-L370 HydrophobicContact CE1-CB 4Å; F19-L370 HydrophobicContact CE1-CD2 3.84Å; F19-L370 HydrophobicContact CE1-CG 3.86Å; Y346-L370 HydrophobicContact CD1-CD2 3.85Å; Y346-L370 HydrophobicContact CD2-CD2 3.64Å; Y346-L370 HydrophobicContact CE1-CD2 3.72Å; Y346-L370 HydrophobicContact CE2-CB 4.14Å; Y346-L370 HydrophobicContact CE2-CD2 3.51Å; Y346-L370 HydrophobicContact CE2-CG 4.41Å; Y346-L370 HydrophobicContact CG-CD2 3.8Å; Y366-L370 PolarHBondContact O-N 2.81Å; I367-L370 PolarHBondContact O-N 2.91Å; L370-V374 HydrophobicContact CD1-CB 4.15Å; L370-V374 HydrophobicContact CD1-CG1 4.34Å; L370-V374 HydrophobicContact CD1-CG2 3.97Å; L370-V386 HydrophobicContact CD1-CG2 4.03Å; L370-F395 HydrophobicContact CD1-CE2 3.82Å; L370-F395 HydrophobicContact CD1-CZ 3.9Å; L370-F395 HydrophobicContact CD2-CZ 4.19Å |
| 371 | M | 90.8 | Very high | 86.2 | Confident | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.015 | 16% | 0.159 | C | C | . | . | I | π-helix | trans | -76.1 | -39.1 | -178.1 | -168.5 | 173.4 | -176.8 | 0 | 0 | 113.7 | F19 D20 F222 P223 I367 S368 F369 | F19-M371 HydrophobicContact CE1-CB 4.08Å; F19-M371 HydrophobicContact CE2-CB 4.17Å; F19-M371 HydrophobicContact CE2-CG 4.18Å; F19-M371 HydrophobicContact CE2-SD 4.05Å; F19-M371 HydrophobicContact CZ-CB 3.71Å; F19-M371 HydrophobicContact CZ-CG 4.22Å; F19-M371 HydrophobicContact CZ-SD 4.5Å; D20-M371 WeakPolarHBondContact O-CE 3.22Å; F222-M371 HydrophobicContact CD1-SD 3.96Å; F222-M371 HydrophobicContact CE1-SD 3.69Å; P223-M371 HydrophobicContact CG-CE 4.47Å; I367-M371 WeakPolarHBondContact O-CB 3.18Å; I367-M371 PolarHBondContact O-N 2.88Å; I367-M371 VanDerWaalsContact O-N 3.13Å; S368-M371 PolarHBondContact O-N 2.86Å; F369-M371 VanDerWaalsContact C-N 3.29Å; F369-M371 PolarHBondContact O-N 2.97Å |
| 372 | F | 87.2 | Confident | 85.3 | Confident | 27 Ų | 27 | 35.8 Ų | 35.8 | 12% | 0.118 | 16% | 0.157 | C | C | . | . | I | π-helix | trans | -119.4 | -24.9 | -168.7 | -59.5 | -64.3 | 0 | 0 | 0 | 115.2 | F222 S368 M728 Y731 M734 M735 | F222-F372 AromaticContact CE1-CE2 3.63Å; F222-F372 HydrophobicContact CE1-CE2 3.63Å; F222-F372 HydrophobicContact CE1-CZ 4.2Å; F222-F372 AromaticContact CZ-CE2 3.72Å; F222-F372 HydrophobicContact CZ-CE2 3.72Å; F222-F372 HydrophobicContact CZ-CZ 4.36Å; S368-F372 WeakPolarHBondContact O-CD2 3.46Å; S368-F372 PolarHBondContact O-N 2.89Å; F372-M728 HydrophobicContact CD2-SD 4.28Å; F372-M728 HydrophobicContact CE2-CE 4.03Å; F372-M728 HydrophobicContact CE2-SD 3.85Å; F372-M728 HydrophobicContact CZ-CE 4.25Å; F372-Y731 HydrophobicContact CB-CD1 4.35Å; F372-Y731 HydrophobicContact CB-CE1 4.26Å; F372-M734 HydrophobicContact CD1-CE 4.39Å; F372-M735 HydrophobicContact CE1-CE 4.44Å; F372-M735 HydrophobicContact CZ-CE 3.87Å |
| 373 | E | 87 | Confident | 84.8 | Confident | 52 Ų | 52 | 36.4 Ų | 36.4 | 24% | 0.243 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -103.3 | -28 | -173.6 | -69.1 | 176.6 | -146.4 | 0 | 0 | 113 | R365 F369 P375 Y731 | R365-E373 IonicContact CZ-OE1 2.69Å; R365-E373 IonicContact NH1-OE1 2.85Å; R365-E373 PolarHBondContact NH1-OE1 2.98Å; R365-E373 IonicContact NH2-OE1 3.82Å; R365-E373 PolarHBondContact NH2-OE1 2.83Å; R365-E373 IonicContact NH2-OE2 3.11Å; F369-E373 HydrophobicContact CD2-CB 3.72Å; F369-E373 HydrophobicContact CD2-CG 4.47Å; F369-E373 HydrophobicContact CE2-CB 4.11Å; F369-E373 WeakPolarHBondContact O-CA 3.48Å; F369-E373 WeakPolarHBondContact O-CB 3.42Å; F369-E373 PolarHBondContact O-N 2.84Å; E373-P375 WeakPolarHBondContact O-CD 3.24Å; E373-Y731 WeakPolarHBondContact CG-OH 3.37Å; E373-Y731 PolarHBondContact OE1-OH 2.68Å |
| 374 | V | 89.6 | Confident | 84.5 | Confident | 7 Ų | 7 | 36.4 Ų | 36.4 | 4% | 0.042 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -80.7 | 117.8 | 174.7 | -176.5 | 0 | 0 | 0 | 0 | 109.1 | I18 F369 L370 V384 V386 F701 | I18-V374 HydrophobicContact CD1-CB 3.86Å; I18-V374 HydrophobicContact CD1-CG1 3.39Å; F369-V374 HydrophobicContact CD1-CG2 4.12Å; F369-V374 HydrophobicContact CE1-CG2 3.63Å; F369-V374 HydrophobicContact CE2-CG2 4.14Å; F369-V374 HydrophobicContact CZ-CG2 3.63Å; F369-V374 PolarHBondContact O-N 2.75Å; F369-V374 VanDerWaalsContact O-N 3.16Å; L370-V374 HydrophobicContact CD1-CB 4.15Å; L370-V374 HydrophobicContact CD1-CG1 4.34Å; L370-V374 HydrophobicContact CD1-CG2 3.97Å; V374-V384 HydrophobicContact CG1-CG1 3.57Å; V374-V386 HydrophobicContact CB-CG2 4.43Å; V374-V386 HydrophobicContact CG1-CG2 3.63Å; V374-V386 HydrophobicContact CG2-CG2 3.94Å; V374-F701 HydrophobicContact CG2-CB 4.37Å |
| 375 | P | 84.3 | Confident | 84.2 | Confident | 43 Ų | 43 | 37.1 Ų | 37.1 | 28% | 0.279 | 16% | 0.162 | S | C | . | . | P | Polyproline II helix | trans | -68.9 | 145.6 | -179.5 | 28.9 | -34.5 | 0 | 0 | 0 | 110.8 | E373 F701 | E373-P375 WeakPolarHBondContact O-CD 3.24Å; P375-F701 HydrophobicContact CG-CD2 4.37Å; P375-F701 HydrophobicContact CG-CE1 3.94Å; P375-F701 HydrophobicContact CG-CE2 3.5Å; P375-F701 HydrophobicContact CG-CZ 3.27Å |
| 376 | F | 87 | Confident | 84.1 | Confident | 19 Ų | 19 | 35 Ų | 35 | 8% | 0.083 | 16% | 0.155 | C | C | . | . | P | Polyproline II helix | trans | -63 | 138.5 | 172.2 | -168.9 | -98 | 0 | 0 | 0 | 111.1 | L16 F337 F339 T378 P398 | L16-F376 HydrophobicContact CB-CB 3.98Å; L16-F376 HydrophobicContact CB-CD1 3.66Å; L16-F376 HydrophobicContact CB-CD2 3.92Å; L16-F376 HydrophobicContact CB-CE1 4.09Å; L16-F376 HydrophobicContact CB-CE2 4.31Å; L16-F376 HydrophobicContact CB-CG 3.57Å; L16-F376 HydrophobicContact CB-CZ 4.39Å; L16-F376 HydrophobicContact CD1-CD1 3.78Å; L16-F376 HydrophobicContact CD1-CE1 3.66Å; L16-F376 HydrophobicContact CD1-CZ 4.32Å; L16-F376 HydrophobicContact CG-CD1 4.38Å; L16-F376 VanDerWaalsContact O-CB 3.28Å; L16-F376 WeakPolarHBondContact O-CB 3.27Å; F337-F376 HydrophobicContact CD1-CE2 4.16Å; F337-F376 AromaticContact CD1-CZ 3.71Å; F337-F376 HydrophobicContact CD1-CZ 3.71Å; F337-F376 HydrophobicContact CD2-CD2 4.48Å; F337-F376 AromaticContact CD2-CE2 3.37Å; F337-F376 HydrophobicContact CD2-CE2 3.37Å; F337-F376 AromaticContact CD2-CZ 3.73Å; F337-F376 HydrophobicContact CD2-CZ 3.73Å; F337-F376 HydrophobicContact CE1-CE1 4.41Å; F337-F376 HydrophobicContact CE1-CE2 4.23Å; F337-F376 AromaticContact CE1-CZ 3.54Å; F337-F376 HydrophobicContact CE1-CZ 3.54Å; F337-F376 HydrophobicContact CE2-CD2 4.4Å; F337-F376 AromaticContact CE2-CE2 3.44Å; F337-F376 HydrophobicContact CE2-CE2 3.44Å; F337-F376 VanDerWaalsContact CE2-CE2 3.44Å; F337-F376 AromaticContact CE2-CZ 3.56Å; F337-F376 HydrophobicContact CE2-CZ 3.56Å; F337-F376 AromaticContact CG-CE2 3.75Å; F337-F376 HydrophobicContact CG-CE2 3.75Å; F337-F376 AromaticContact CG-CZ 3.8Å; F337-F376 HydrophobicContact CG-CZ 3.8Å; F337-F376 HydrophobicContact CZ-CE1 4.26Å; F337-F376 AromaticContact CZ-CE2 3.88Å; F337-F376 HydrophobicContact CZ-CE2 3.88Å; F337-F376 AromaticContact CZ-CZ 3.46Å; F337-F376 HydrophobicContact CZ-CZ 3.46Å; F337-F376 VanDerWaalsContact CZ-CZ 3.46Å; F339-F376 AromaticContact CE2-CE2 3.9Å; F339-F376 HydrophobicContact CE2-CE2 3.9Å; F339-F376 AromaticContact CZ-CE2 3.91Å; F339-F376 HydrophobicContact CZ-CE2 3.91Å; F339-F376 HydrophobicContact CZ-CZ 4.19Å; F376-T378 PolarHBondContact O-N 3.31Å; F376-P398 HydrophobicContact CE1-CG 4.17Å; F376-P398 HydrophobicContact CZ-CG 3.64Å |
| 377 | P | 85.3 | Confident | 83.9 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | P | Polyproline II helix | trans | -59.6 | 134.1 | 174.3 | -23 | 33.8 | 0 | 0 | 0 | 111.6 | V384 F395 N397 | P377-V384 HydrophobicContact CB-CG2 4.31Å; P377-V384 HydrophobicContact CG-CB 4.3Å; P377-V384 HydrophobicContact CG-CG2 4.07Å; P377-F395 HydrophobicContact CG-CB 3.68Å; P377-F395 WeakPolarHBondContact CG-O 3.36Å; P377-N397 HydrophobicContact CB-CB 4.25Å |
| 378 | T | 75.5 | Confident | 83.6 | Confident | 59 Ų | 59 | 37.8 Ų | 37.8 | 36% | 0.362 | 17% | 0.168 | S | C | . | . | B | Isolated β-bridge | trans | -134.5 | 168.6 | -178.6 | 58.8 | 0 | 0 | 0 | 0 | 110.4 | F376 R380 R381 P382 | F376-T378 PolarHBondContact O-N 3.31Å; T378-R380 PolarHBondContact O-N 3.12Å; T378-R381 PolarHBondContact N-O 2.87Å; T378-R381 CarbonylContact O-C 3.52Å; T378-R381 WeakPolarHBondContact O-CA 3.33Å; T378-R381 PolarHBondContact O-N 2.84Å; T378-R381 PolarHBondContact OG1-N 2.82Å; T378-P382 WeakPolarHBondContact O-CA 3.25Å |
| 379 | F | 62.5 | Low | 83.1 | Confident | 106 Ų | 106 | 39.9 Ų | 39.9 | 47% | 0.465 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -26.2 | 174 | -64.8 | -72.8 | 0 | 0 | 0 | 114.5 | N397 E399 D400 | F379-N397 WeakPolarHBondContact CD1-ND2 3.43Å; F379-N397 WeakPolarHBondContact CE1-ND2 3.47Å; F379-E399 HydrophobicContact CE2-CB 4.34Å; F379-E399 HydrophobicContact CZ-CB 3.95Å; F379-E399 WeakPolarHBondContact CZ-O 3.36Å; F379-D400 WeakPolarHBondContact CE1-OD1 3.46Å |
| 380 | R | 62.5 | Low | 82.3 | Confident | 227 Ų | 227 | 47.9 Ų | 47.9 | 86% | 0.857 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -21.2 | 175.6 | -68 | -174 | 179.9 | 175.2 | 2.7 | 113.5 | T378 | T378-R380 PolarHBondContact O-N 3.12Š|
| 381 | R | 69.5 | Low | 81.6 | Confident | 118 Ų | 118 | 49.9 Ų | 49.9 | 45% | 0.445 | 24% | 0.242 | S | C | . | . | B | Isolated β-bridge | trans | -139.7 | 72.1 | 179.3 | -66.7 | -174.7 | -178.7 | -156.4 | 0.4 | 107.6 | T378 R383 V699 | T378-R381 PolarHBondContact N-O 2.87Å; T378-R381 CarbonylContact O-C 3.52Å; T378-R381 WeakPolarHBondContact O-CA 3.33Å; T378-R381 PolarHBondContact O-N 2.84Å; T378-R381 PolarHBondContact OG1-N 2.82Å; R381-R383 PolarHBondContact O-N 3.42Å; R381-V699 HydrophobicContact CG-CG2 4.33Å |
| 382 | P | 71 | Confident | 81.3 | Confident | 5 Ų | 5 | 53.4 Ų | 53.4 | 3% | 0.032 | 26% | 0.257 | C | S | . | . | trans | -67.8 | -19.3 | -168.9 | 27.1 | -35.3 | 0 | 0 | 0 | 112 | T378 D396 N397 V693 | T378-P382 WeakPolarHBondContact O-CA 3.25Å; P382-D396 CarbonylContact O-C 3.43Å; P382-D396 VanDerWaalsContact O-CA 3.29Å; P382-D396 WeakPolarHBondContact O-CA 3.45Å; P382-N397 PolarHBondContact O-N 2.84Å; P382-V693 HydrophobicContact CB-CG1 3.84Å; P382-V693 HydrophobicContact CG-CG1 3.93Å | ||
| 383 | R | 82.6 | Confident | 81.3 | Confident | 24 Ų | 24 | 52.1 Ų | 52.1 | 9% | 0.091 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 122.1 | -179.7 | -171.9 | 169 | -66.5 | 148.4 | 7.4 | 112.1 | R381 L385 C394 D396 L568 F695 A698 V699 | R381-R383 PolarHBondContact O-N 3.42Å; R383-L385 HydrophobicContact CG-CD2 4.26Å; R383-L385 HydrophobicContact CG-CG 4.42Å; R383-C394 VanDerWaalsContact CG-SG 3.53Å; R383-D396 IonicContact CZ-OD1 3.34Å; R383-D396 IonicContact NE-OD1 2.88Å; R383-D396 PolarHBondContact NE-OD1 2.83Å; R383-D396 IonicContact NH2-OD1 2.69Å; R383-L568 VanDerWaalsContact NH1-CD2 3.3Å; R383-F695 PolarHBondContact NH1-O 3.43Å; R383-A698 HydrophobicContact CB-CB 4.24Å; R383-A698 HydrophobicContact CG-CB 4.09Å; R383-A698 WeakPolarHBondContact O-CA 3.27Å; R383-V699 PolarHBondContact O-N 2.94Å; R383-V699 VanDerWaalsContact O-N 3.12Å |
| 384 | V | 86.9 | Confident | 81.2 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 120.5 | 174.8 | 179.5 | 0 | 0 | 0 | 0 | 108.4 | V374 P377 F395 F701 | V374-V384 HydrophobicContact CG1-CG1 3.57Å; P377-V384 HydrophobicContact CB-CG2 4.31Å; P377-V384 HydrophobicContact CG-CB 4.3Å; P377-V384 HydrophobicContact CG-CG2 4.07Å; V384-F395 HydrophobicContact CB-CB 4.45Å; V384-F395 PolarHBondContact N-O 3.47Å; V384-F395 PolarHBondContact O-N 2.82Å; V384-F701 HydrophobicContact CG1-CD2 3.7Å; V384-F701 HydrophobicContact CG1-CE2 3.92Å |
| 385 | L | 87.8 | Confident | 81.1 | Confident | 20 Ų | 20 | 51 Ų | 51 | 11% | 0.105 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 127.6 | 178.2 | -64.2 | 178.4 | 0 | 0 | 0 | 109.2 | R383 I393 C394 A698 V699 I700 F701 | R383-L385 HydrophobicContact CG-CD2 4.26Å; R383-L385 HydrophobicContact CG-CG 4.42Å; L385-I393 CarbonylContact C-O 3.44Å; L385-I393 WeakPolarHBondContact CA-O 3.29Å; L385-C394 HydrophobicContact CD2-CB 3.64Å; L385-A698 HydrophobicContact CD1-CB 3.88Å; L385-A698 HydrophobicContact CG-CB 4.22Å; L385-V699 PolarHBondContact N-O 3.23Å; L385-I700 HydrophobicContact CB-CG1 3.99Å; L385-I700 HydrophobicContact CD1-CG1 4Å; L385-I700 CarbonylContact O-C 3.52Å; L385-I700 VanDerWaalsContact O-CA 3.29Å; L385-I700 WeakPolarHBondContact O-CA 3.45Å; L385-F701 PolarHBondContact O-N 3.46Å |
| 386 | V | 90.6 | Very high | 81.1 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 121.2 | 175.8 | -179.1 | 0 | 0 | 0 | 0 | 109 | F369 L370 V374 L388 K392 I393 F395 F701 | F369-V386 HydrophobicContact CE1-CG1 3.85Å; L370-V386 HydrophobicContact CD1-CG2 4.03Å; V374-V386 HydrophobicContact CB-CG2 4.43Å; V374-V386 HydrophobicContact CG1-CG2 3.63Å; V374-V386 HydrophobicContact CG2-CG2 3.94Å; V386-L388 HydrophobicContact CG1-CD2 3.89Å; V386-L388 HydrophobicContact CG1-CG 4.11Å; V386-K392 CarbonylContact O-C 3.47Å; V386-K392 WeakPolarHBondContact O-CA 3.35Å; V386-I393 HydrophobicContact CB-CB 4.42Å; V386-I393 PolarHBondContact N-O 3.12Å; V386-I393 PolarHBondContact O-N 3.41Å; V386-F395 HydrophobicContact CB-CE2 4.3Å; V386-F395 HydrophobicContact CG2-CD2 3.93Å; V386-F395 HydrophobicContact CG2-CE2 3.71Å; V386-F701 CarbonylContact C-O 3.58Å; V386-F701 WeakPolarHBondContact CA-O 3.16Å |
| 387 | Q | 90 | Very high | 80.8 | Confident | 72 Ų | 72 | 50.5 Ų | 50.5 | 34% | 0.336 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 113.8 | -179.3 | -178 | 164 | -2.6 | 0 | 0 | 110.7 | I700 F701 A702 P703 | Q387-I700 HydrophobicContact CB-CG2 4.2Å; Q387-F701 PolarHBondContact N-O 3.28Å; Q387-A702 HydrophobicContact CB-CB 4.29Å; Q387-P703 WeakPolarHBondContact O-CD 3.46Å |
| 388 | L | 87.1 | Confident | 80.2 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 93.6 | 179 | -58.2 | -177.2 | 0 | 0 | 0 | 109 | Y346 Y349 Y366 V386 N390 E391 I393 P703 | Y346-L388 HydrophobicContact CD2-CD1 3.79Å; Y346-L388 HydrophobicContact CE2-CD1 4.32Å; Y349-L388 HydrophobicContact CD1-CB 4.07Å; Y349-L388 HydrophobicContact CD1-CD1 3.83Å; Y349-L388 HydrophobicContact CD1-CG 4.47Å; Y349-L388 HydrophobicContact CD2-CB 4.02Å; Y349-L388 HydrophobicContact CE1-CB 3.85Å; Y349-L388 HydrophobicContact CE1-CD1 4.27Å; Y349-L388 HydrophobicContact CE1-CG 4.46Å; Y349-L388 HydrophobicContact CE2-CB 3.8Å; Y349-L388 WeakPolarHBondContact CE2-O 3.41Å; Y349-L388 HydrophobicContact CG-CB 4.16Å; Y349-L388 HydrophobicContact CG-CD1 4.08Å; Y366-L388 HydrophobicContact CD1-CD2 3.91Å; Y366-L388 HydrophobicContact CE1-CD2 4.09Å; V386-L388 HydrophobicContact CG1-CD2 3.89Å; V386-L388 HydrophobicContact CG1-CG 4.11Å; L388-N390 PolarHBondContact O-N 3.22Å; L388-N390 VanDerWaalsContact O-N 3.15Å; L388-E391 PolarHBondContact N-O 3.09Å; L388-E391 PolarHBondContact O-N 2.85Å; L388-I393 HydrophobicContact CD1-CD1 3.48Å; L388-I393 VanDerWaalsContact CD1-CD1 3.48Å; L388-I393 HydrophobicContact CD1-CG1 4.32Å; L388-I393 HydrophobicContact CG-CD1 4.39Å; L388-P703 HydrophobicContact CD2-CG 3.83Å |
| 389 | G | 81.6 | Confident | 79.7 | Confident | 44 Ų | 44 | 53.7 Ų | 53.7 | 45% | 0.454 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | -117.6 | -169.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 390 | N | 76.8 | Confident | 79.8 | Confident | 176 Ų | 176 | 50.2 Ų | 50.2 | 94% | 0.941 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -4.4 | 179.7 | -63.5 | -12.1 | 0 | 0 | 0 | 113.5 | L388 | L388-N390 PolarHBondContact O-N 3.22Å; L388-N390 VanDerWaalsContact O-N 3.15Å |
| 391 | E | 78.9 | Confident | 80.4 | Confident | 44 Ų | 44 | 41.5 Ų | 41.5 | 21% | 0.206 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 137.9 | -178.7 | -63.8 | -174.4 | -178.7 | 0 | 0 | 111.1 | R352 L388 | R352-E391 IonicContact CZ-OE1 3.19Å; R352-E391 VanDerWaalsContact CZ-OE1 3.22Å; R352-E391 IonicContact CZ-OE2 3.79Å; R352-E391 IonicContact NH1-OE1 3.75Å; R352-E391 PolarHBondContact NH1-OE1 3.01Å; R352-E391 IonicContact NH2-OE1 2.57Å; R352-E391 PolarHBondContact NH2-OE1 2.99Å; R352-E391 IonicContact NH2-OE2 2.7Å; R352-E391 PolarHBondContact NH2-OE2 3.41Å; L388-E391 PolarHBondContact N-O 3.09Å; L388-E391 PolarHBondContact O-N 2.85Å |
| 392 | K | 82.9 | Confident | 80.8 | Confident | 76 Ų | 76 | 38.1 Ų | 38.1 | 33% | 0.33 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 123.8 | 170.6 | -66.8 | -176.8 | -178.8 | 179.9 | 0 | 109.3 | V386 | V386-K392 CarbonylContact O-C 3.47Å; V386-K392 WeakPolarHBondContact O-CA 3.35Å |
| 393 | I | 87.9 | Confident | 81.5 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 133.9 | 175.9 | -58.5 | -173.3 | 0 | 0 | 0 | 108.2 | A342 R345 Y346 L385 V386 L388 F395 | A342-I393 HydrophobicContact CB-CG2 3.6Å; R345-I393 HydrophobicContact CB-CD1 3.91Å; R345-I393 HydrophobicContact CB-CG1 4.04Å; Y346-I393 HydrophobicContact CD2-CD1 4.4Å; L385-I393 CarbonylContact C-O 3.44Å; L385-I393 WeakPolarHBondContact CA-O 3.29Å; V386-I393 HydrophobicContact CB-CB 4.42Å; V386-I393 PolarHBondContact N-O 3.12Å; V386-I393 PolarHBondContact O-N 3.41Å; L388-I393 HydrophobicContact CD1-CD1 3.48Å; L388-I393 VanDerWaalsContact CD1-CD1 3.48Å; L388-I393 HydrophobicContact CD1-CG1 4.32Å; L388-I393 HydrophobicContact CG-CD1 4.39Å; I393-F395 HydrophobicContact CB-CE2 4.48Å; I393-F395 HydrophobicContact CG2-CD2 4.37Å; I393-F395 HydrophobicContact CG2-CE2 3.69Å; I393-F395 HydrophobicContact CG2-CZ 3.92Å |
| 394 | C | 84.8 | Confident | 81.5 | Confident | 35 Ų | 35 | 38.5 Ų | 38.5 | 24% | 0.236 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 130.3 | -177.3 | -172 | 0 | 0 | 0 | 0 | 110.8 | R383 L385 | R383-C394 VanDerWaalsContact CG-SG 3.53Å; L385-C394 HydrophobicContact CD2-CB 3.64Å |
| 395 | F | 88.5 | Confident | 81.4 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 113.9 | 168.9 | -61.4 | -87.9 | 0 | 0 | 0 | 108.2 | I18 F339 A342 F343 L370 P377 V384 V386 I393 | I18-F395 HydrophobicContact CD1-CD1 4.34Å; I18-F395 HydrophobicContact CD1-CD2 4.1Å; I18-F395 HydrophobicContact CD1-CE1 4.45Å; I18-F395 HydrophobicContact CD1-CE2 4.2Å; I18-F395 HydrophobicContact CD1-CG 4.17Å; I18-F395 HydrophobicContact CD1-CZ 4.38Å; I18-F395 HydrophobicContact CG2-CD1 3.87Å; I18-F395 HydrophobicContact CG2-CE1 3.39Å; I18-F395 HydrophobicContact CG2-CZ 3.85Å; F339-F395 HydrophobicContact CB-CD1 3.99Å; F339-F395 HydrophobicContact CB-CE1 4.05Å; F339-F395 HydrophobicContact CD1-CD1 4.19Å; F339-F395 AromaticContact CD2-CD1 3.94Å; F339-F395 HydrophobicContact CD2-CD1 3.94Å; F339-F395 HydrophobicContact CD2-CE1 4.31Å; F339-F395 HydrophobicContact CE2-CD1 4.44Å; F339-F395 AromaticContact CG-CD1 3.79Å; F339-F395 HydrophobicContact CG-CD1 3.79Å; F339-F395 HydrophobicContact CG-CE1 4.26Å; A342-F395 HydrophobicContact CB-CD1 3.92Å; A342-F395 HydrophobicContact CB-CE1 3.53Å; A342-F395 HydrophobicContact CB-CZ 3.87Å; F343-F395 HydrophobicContact CD1-CE1 4.4Å; F343-F395 HydrophobicContact CE1-CE1 4.14Å; L370-F395 HydrophobicContact CD1-CE2 3.82Å; L370-F395 HydrophobicContact CD1-CZ 3.9Å; L370-F395 HydrophobicContact CD2-CZ 4.19Å; P377-F395 HydrophobicContact CG-CB 3.68Å; P377-F395 WeakPolarHBondContact CG-O 3.36Å; V384-F395 HydrophobicContact CB-CB 4.45Å; V384-F395 PolarHBondContact N-O 3.47Å; V384-F395 PolarHBondContact O-N 2.82Å; V386-F395 HydrophobicContact CB-CE2 4.3Å; V386-F395 HydrophobicContact CG2-CD2 3.93Å; V386-F395 HydrophobicContact CG2-CE2 3.71Å; I393-F395 HydrophobicContact CB-CE2 4.48Å; I393-F395 HydrophobicContact CG2-CD2 4.37Å; I393-F395 HydrophobicContact CG2-CE2 3.69Å; I393-F395 HydrophobicContact CG2-CZ 3.92Å |
| 396 | D | 82.9 | Confident | 81.3 | Confident | 44 Ų | 44 | 41.2 Ų | 41.2 | 24% | 0.235 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 156.7 | 174.7 | -67.9 | -48.7 | 0 | 0 | 0 | 110.4 | F339 P382 R383 P398 | F339-D396 WeakPolarHBondContact CE1-O 3.2Å; P382-D396 CarbonylContact O-C 3.43Å; P382-D396 VanDerWaalsContact O-CA 3.29Å; P382-D396 WeakPolarHBondContact O-CA 3.45Å; R383-D396 IonicContact CZ-OD1 3.34Å; R383-D396 IonicContact NE-OD1 2.88Å; R383-D396 PolarHBondContact NE-OD1 2.83Å; R383-D396 IonicContact NH2-OD1 2.69Å; D396-P398 VanDerWaalsContact O-CD 3.3Å; D396-P398 WeakPolarHBondContact O-CD 3.45Å |
| 397 | N | 81.4 | Confident | 80.9 | Confident | 7 Ų | 7 | 41.7 Ų | 41.7 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | trans | -58.8 | 117.4 | 174.8 | -175.6 | 12.7 | 0 | 0 | 0 | 111.5 | P377 F379 P382 E399 D400 | P377-N397 HydrophobicContact CB-CB 4.25Å; F379-N397 WeakPolarHBondContact CD1-ND2 3.43Å; F379-N397 WeakPolarHBondContact CE1-ND2 3.47Å; P382-N397 PolarHBondContact O-N 2.84Å; N397-E399 VanDerWaalsContact C-N 3.26Å; N397-E399 PolarHBondContact O-N 2.96Å; N397-E399 PolarHBondContact OD1-N 2.68Å; N397-D400 PolarHBondContact ND2-OD1 2.88Å | ||
| 398 | P | 72.2 | Confident | 80.7 | Confident | 26 Ų | 26 | 38.9 Ų | 38.9 | 17% | 0.169 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -71.5 | -20.7 | 177.9 | 26.9 | -31 | 0 | 0 | 0 | 113 | F337 F339 F376 D396 D400 L405 | F337-P398 HydrophobicContact CD1-CB 4.14Å; F337-P398 HydrophobicContact CD1-CG 3.56Å; F337-P398 HydrophobicContact CE1-CG 4Å; F337-P398 HydrophobicContact CG-CG 4.34Å; F339-P398 HydrophobicContact CE1-CB 4.33Å; F339-P398 HydrophobicContact CE1-CG 4.17Å; F339-P398 HydrophobicContact CZ-CB 4.49Å; F339-P398 HydrophobicContact CZ-CG 3.9Å; F376-P398 HydrophobicContact CE1-CG 4.17Å; F376-P398 HydrophobicContact CZ-CG 3.64Å; D396-P398 VanDerWaalsContact O-CD 3.3Å; D396-P398 WeakPolarHBondContact O-CD 3.45Å; P398-D400 PolarHBondContact O-N 3.15Å; P398-L405 HydrophobicContact CB-CD1 3.66Å; P398-L405 HydrophobicContact CB-CD2 4.4Å |
| 399 | E | 65.8 | Low | 80.8 | Confident | 100 Ų | 100 | 39.8 Ų | 39.8 | 47% | 0.467 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -89.4 | 12.2 | -172.8 | -60.4 | -172.6 | 171 | 0 | 0 | 114.8 | F379 N397 S401 | F379-E399 HydrophobicContact CE2-CB 4.34Å; F379-E399 HydrophobicContact CZ-CB 3.95Å; F379-E399 WeakPolarHBondContact CZ-O 3.36Å; N397-E399 VanDerWaalsContact C-N 3.26Å; N397-E399 PolarHBondContact O-N 2.96Å; N397-E399 PolarHBondContact OD1-N 2.68Å; E399-S401 PolarHBondContact O-N 2.8Å |
| 400 | D | 64.3 | Low | 81.5 | Confident | 33 Ų | 33 | 38.3 Ų | 38.3 | 18% | 0.176 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -73.3 | -17.8 | -178.5 | -73 | -16.7 | 0 | 0 | 0 | 113.4 | F379 N397 P398 | F379-D400 WeakPolarHBondContact CE1-OD1 3.46Å; N397-D400 PolarHBondContact ND2-OD1 2.88Å; P398-D400 PolarHBondContact O-N 3.15Å |
| 401 | S | 75.1 | Confident | 82.3 | Confident | 44 Ų | 44 | 30.1 Ų | 30.1 | 31% | 0.308 | 17% | 0.169 | S | C | . | . | trans | -90.7 | 139.9 | -174.3 | -174.6 | 0 | 0 | 0 | 0 | 112.7 | E399 L403 | E399-S401 PolarHBondContact O-N 2.8Å; S401-L403 PolarHBondContact O-N 2.77Å; S401-L403 PolarHBondContact OG-N 3.18Å | ||
| 402 | P | 77.6 | Confident | 82.9 | Confident | 46 Ų | 46 | 28.6 Ų | 28.6 | 30% | 0.299 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -76.9 | 0.4 | 169.7 | 35.1 | -37.1 | 0 | 0 | 0 | 113.3 | Y662 F665 L687 | P402-Y662 WeakPolarHBondContact O-CD1 3.46Å; P402-F665 HydrophobicContact CB-CD1 3.95Å; P402-F665 HydrophobicContact CB-CD2 3.66Å; P402-F665 HydrophobicContact CB-CE1 4.01Å; P402-F665 HydrophobicContact CB-CE2 3.71Å; P402-F665 HydrophobicContact CB-CG 3.78Å; P402-F665 HydrophobicContact CB-CZ 3.91Å; P402-F665 HydrophobicContact CG-CD1 4.38Å; P402-F665 HydrophobicContact CG-CD2 4.16Å; P402-F665 HydrophobicContact CG-CE1 3.92Å; P402-F665 HydrophobicContact CG-CE2 3.66Å; P402-F665 HydrophobicContact CG-CG 4.49Å; P402-F665 HydrophobicContact CG-CZ 3.54Å; P402-L687 HydrophobicContact CG-CD2 3.76Å |
| 403 | L | 85.2 | Confident | 83.5 | Confident | 11 Ų | 11 | 25 Ų | 25 | 6% | 0.058 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -100.3 | 155.5 | 177 | -62.9 | 173.7 | 0 | 0 | 0 | 110.7 | S401 F457 Q582 F665 L687 | S401-L403 PolarHBondContact O-N 2.77Å; S401-L403 PolarHBondContact OG-N 3.18Å; L403-F457 HydrophobicContact CD2-CD1 3.53Å; L403-F457 HydrophobicContact CD2-CD2 4.42Å; L403-F457 HydrophobicContact CD2-CE1 3.6Å; L403-F457 HydrophobicContact CD2-CG 3.94Å; L403-F457 HydrophobicContact CD2-CZ 4.13Å; L403-Q582 HydrophobicContact CD1-CB 4.22Å; L403-F665 HydrophobicContact CD2-CD1 4.34Å; L403-F665 HydrophobicContact CD2-CE1 3.76Å; L403-F665 HydrophobicContact CG-CE1 4.41Å; L403-L687 HydrophobicContact CD1-CD1 3.97Å; L403-L687 HydrophobicContact CD1-CD2 4.08Å; L403-L687 HydrophobicContact CG-CD2 4.18Å |
| 404 | P | 84 | Confident | 84 | Confident | 26 Ų | 26 | 25 Ų | 25 | 17% | 0.169 | 15% | 0.147 | C | C | . | . | P | Polyproline II helix | trans | -53.2 | 140.4 | 174.6 | -25.4 | 34.6 | 0 | 0 | 0 | 112.7 | S406 N454 F457 Y662 | P404-S406 PolarHBondContact O-N 3.47Å; P404-N454 PolarHBondContact O-ND2 3.39Å; P404-F457 HydrophobicContact CG-CD2 4.04Å; P404-F457 HydrophobicContact CG-CE2 4.34Å; P404-Y662 HydrophobicContact CG-CD1 4.49Å; P404-Y662 HydrophobicContact CG-CD2 4.13Å; P404-Y662 HydrophobicContact CG-CE2 4.36Å; P404-Y662 HydrophobicContact CG-CG 4.23Å |
| 405 | L | 84.3 | Confident | 84.4 | Confident | 57 Ų | 57 | 28.3 Ų | 28.3 | 30% | 0.298 | 16% | 0.157 | S | C | . | . | P | Polyproline II helix | trans | -60.2 | 131 | 176.8 | -178.1 | 62.8 | 0 | 0 | 0 | 110.6 | Y275 F337 P338 P398 | Y275-L405 PolarHBondContact OH-O 2.81Å; F337-L405 HydrophobicContact CD1-CD2 3.71Å; F337-L405 HydrophobicContact CE1-CD2 4.28Å; P338-L405 HydrophobicContact CG-CD1 4.01Å; P338-L405 HydrophobicContact CG-CG 4.1Å; P398-L405 HydrophobicContact CB-CD1 3.66Å; P398-L405 HydrophobicContact CB-CD2 4.4Å |
| 406 | S | 85.7 | Confident | 84.7 | Confident | 20 Ų | 20 | 30 Ų | 30 | 14% | 0.14 | 17% | 0.166 | C | C | . | . | trans | -146.9 | 146.6 | 178 | 176.1 | 0 | 0 | 0 | 0 | 110.7 | P404 A408 E450 N454 | P404-S406 PolarHBondContact O-N 3.47Å; S406-A408 PolarHBondContact O-N 2.93Å; S406-A408 VanDerWaalsContact OG-CB 3.29Å; S406-A408 WeakPolarHBondContact OG-CB 3.49Å; S406-A408 PolarHBondContact OG-N 3.42Å; S406-A408 VanDerWaalsContact OG-N 3.15Å; S406-E450 PolarHBondContact OG-OE2 3.38Å; S406-N454 WeakPolarHBondContact CB-ND2 3.38Å | ||
| 407 | G | 82.8 | Confident | 85.3 | Confident | 11 Ų | 11 | 28 Ų | 28 | 11% | 0.113 | 16% | 0.155 | C | C | . | . | trans | -84.8 | 14.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 408 | A | 85.7 | Confident | 85.9 | Confident | 13 Ų | 13 | 28 Ų | 28 | 11% | 0.107 | 16% | 0.157 | C | C | . | . | trans | -61.5 | 149.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S406 Y410 E450 A451 | S406-A408 PolarHBondContact O-N 2.93Å; S406-A408 VanDerWaalsContact OG-CB 3.29Å; S406-A408 WeakPolarHBondContact OG-CB 3.49Å; S406-A408 PolarHBondContact OG-N 3.42Å; S406-A408 VanDerWaalsContact OG-N 3.15Å; A408-Y410 HydrophobicContact CB-CD1 4.27Å; A408-Y410 HydrophobicContact CB-CE1 3.62Å; A408-Y410 HydrophobicContact CB-CE2 4.09Å; A408-E450 HydrophobicContact CB-CB 3.92Å; A408-A451 VanDerWaalsContact CB-CA 3.45Å; A408-A451 HydrophobicContact CB-CB 3.87Å | ||
| 409 | N | 89.1 | Confident | 87.1 | Confident | 21 Ų | 21 | 27.5 Ų | 27.5 | 11% | 0.112 | 15% | 0.153 | C | C | . | . | trans | -122.7 | 96 | 169.2 | -177.5 | -29.3 | 0 | 0 | 0 | 109 | T411 D412 F413 R574 | N409-T411 VanDerWaalsContact C-N 3.28Å; N409-T411 PolarHBondContact O-N 3.12Å; N409-T411 PolarHBondContact OD1-N 3.21Å; N409-T411 PolarHBondContact OD1-OG1 2.69Å; N409-D412 HydrophobicContact CB-CB 4.33Å; N409-D412 VanDerWaalsContact CG-OD2 3.23Å; N409-D412 PolarHBondContact ND2-OD2 2.85Å; N409-D412 PolarHBondContact O-N 3.25Å; N409-D412 PolarHBondContact OD1-N 2.84Å; N409-D412 PolarHBondContact OD1-OD2 3.37Å; N409-F413 PolarHBondContact O-N 2.93Å; N409-R574 PolarHBondContact ND2-NH2 3.43Å; N409-R574 PolarHBondContact OD1-NH2 2.88Å | ||
| 410 | Y | 94.8 | Very high | 88.5 | Confident | 12 Ų | 12 | 25.9 Ų | 25.9 | 5% | 0.047 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -69.6 | -28 | -172 | -51.5 | -74.5 | 0 | 0 | 0 | 112.8 | A408 L414 A451 N454 L455 E578 Q582 | A408-Y410 HydrophobicContact CB-CD1 4.27Å; A408-Y410 HydrophobicContact CB-CE1 3.62Å; A408-Y410 HydrophobicContact CB-CE2 4.09Å; Y410-L414 PolarHBondContact O-N 2.99Å; Y410-A451 HydrophobicContact CD1-CB 3.98Å; Y410-A451 HydrophobicContact CE1-CB 4.16Å; Y410-N454 PolarHBondContact OH-ND2 3.46Å; Y410-L455 HydrophobicContact CD1-CD1 4.08Å; Y410-L455 HydrophobicContact CD1-CD2 3.73Å; Y410-L455 HydrophobicContact CD1-CG 3.93Å; Y410-L455 HydrophobicContact CE1-CD1 4.49Å; Y410-L455 HydrophobicContact CE1-CD2 3.8Å; Y410-L455 HydrophobicContact CE1-CG 3.9Å; Y410-E578 HydrophobicContact CD2-CB 4.05Å; Y410-E578 HydrophobicContact CD2-CG 4.27Å; Y410-Q582 HydrophobicContact CD1-CG 4.08Å; Y410-Q582 HydrophobicContact CD2-CG 3.7Å; Y410-Q582 HydrophobicContact CE1-CG 3.92Å; Y410-Q582 HydrophobicContact CE2-CG 3.54Å; Y410-Q582 VanDerWaalsContact CE2-NE2 3.29Å; Y410-Q582 HydrophobicContact CG-CG 3.97Å; Y410-Q582 PolarHBondContact OH-NE2 3.01Å |
| 411 | T | 94.6 | Very high | 90 | Very high | 4 Ų | 4 | 25.9 Ų | 25.9 | 3% | 0.025 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66 | -44.6 | 174.5 | 59.4 | 0 | 0 | 0 | 0 | 111.4 | N409 K415 V545 R574 L577 E578 I581 | N409-T411 VanDerWaalsContact C-N 3.28Å; N409-T411 PolarHBondContact O-N 3.12Å; N409-T411 PolarHBondContact OD1-N 3.21Å; N409-T411 PolarHBondContact OD1-OG1 2.69Å; T411-K415 WeakPolarHBondContact O-CB 3.48Å; T411-K415 PolarHBondContact O-N 2.86Å; T411-V545 HydrophobicContact CG2-CG2 4.22Å; T411-R574 HydrophobicContact CG2-CG 4.08Å; T411-R574 PolarHBondContact OG1-NE 2.98Å; T411-R574 PolarHBondContact OG1-NH2 3.22Å; T411-L577 HydrophobicContact CG2-CB 4.15Å; T411-E578 HydrophobicContact CG2-CG 3.86Å; T411-I581 HydrophobicContact CG2-CD1 4.13Å |
| 412 | D | 92 | Very high | 91.1 | Very high | 13 Ų | 13 | 23.8 Ų | 23.8 | 7% | 0.07 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -70.2 | -39.1 | 177 | -69 | -22.5 | 0 | 0 | 0 | 110.8 | N409 L414 K415 L416 R574 | N409-D412 HydrophobicContact CB-CB 4.33Å; N409-D412 VanDerWaalsContact CG-OD2 3.23Å; N409-D412 PolarHBondContact ND2-OD2 2.85Å; N409-D412 PolarHBondContact O-N 3.25Å; N409-D412 PolarHBondContact OD1-N 2.84Å; N409-D412 PolarHBondContact OD1-OD2 3.37Å; D412-L414 PolarHBondContact O-N 2.91Å; D412-K415 PolarHBondContact O-N 3.19Å; D412-L416 HydrophobicContact CB-CD1 4.18Å; D412-L416 VanDerWaalsContact O-CB 3.25Å; D412-L416 WeakPolarHBondContact O-CB 3.21Å; D412-L416 WeakPolarHBondContact O-CD1 3.36Å; D412-L416 WeakPolarHBondContact O-CG 3.33Å; D412-L416 PolarHBondContact O-N 2.91Å; D412-R574 IonicContact OD1-NH2 3.87Å; D412-R574 PolarHBondContact OD1-NH2 3.25Å; D412-R574 IonicContact OD2-NH2 2.68Å; D412-R574 PolarHBondContact OD2-NH2 3.17Å; D412-R574 VanDerWaalsContact OD2-NH2 3.14Å |
| 413 | F | 95.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -52.9 | -52.5 | 172.4 | 172.7 | -98.7 | 0 | 0 | 0 | 112.6 | N409 L417 C422 L425 V448 A451 I452 L455 F585 | N409-F413 PolarHBondContact O-N 2.93Å; F413-L417 HydrophobicContact CD2-CD1 4.08Å; F413-L417 HydrophobicContact CE2-CD1 3.76Å; F413-L417 HydrophobicContact CZ-CD1 4.39Å; F413-L417 PolarHBondContact O-N 2.99Å; F413-C422 HydrophobicContact CE1-CB 3.65Å; F413-C422 WeakPolarHBondContact CE1-SG 3.04Å; F413-C422 HydrophobicContact CZ-CB 3.85Å; F413-L425 HydrophobicContact CE2-CD2 3.99Å; F413-V448 HydrophobicContact CD2-CB 4.4Å; F413-V448 HydrophobicContact CD2-CG1 3.97Å; F413-V448 HydrophobicContact CD2-CG2 4.48Å; F413-V448 HydrophobicContact CE2-CG1 4.22Å; F413-A451 HydrophobicContact CB-CB 3.78Å; F413-A451 HydrophobicContact CD2-CB 3.77Å; F413-A451 HydrophobicContact CG-CB 3.79Å; F413-I452 HydrophobicContact CE2-CB 4.18Å; F413-I452 HydrophobicContact CE2-CD1 4.28Å; F413-I452 HydrophobicContact CZ-CD1 3.99Å; F413-L455 HydrophobicContact CD1-CD1 3.8Å; F413-L455 HydrophobicContact CE1-CD1 3.5Å; F413-L455 VanDerWaalsContact CE1-CD1 3.5Å; F413-L455 HydrophobicContact CZ-CD1 4.01Å; F413-F585 HydrophobicContact CE1-CE2 4.21Å; F413-F585 AromaticContact CE1-CZ 3.91Å; F413-F585 HydrophobicContact CE1-CZ 3.91Å |
| 414 | L | 97.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -68.2 | -39.2 | 179.6 | 178.3 | 57.3 | 0 | 0 | 0 | 112.2 | Y410 D412 G418 P419 L538 L541 L542 I581 | Y410-L414 PolarHBondContact O-N 2.99Å; D412-L414 PolarHBondContact O-N 2.91Å; L414-G418 WeakPolarHBondContact O-CA 3.48Å; L414-G418 PolarHBondContact O-N 2.94Å; L414-P419 HydrophobicContact CD1-CG 4.39Å; L414-L538 HydrophobicContact CD1-CB 4.08Å; L414-L538 HydrophobicContact CD1-CD2 4.16Å; L414-L538 HydrophobicContact CD2-CD2 4.32Å; L414-L541 HydrophobicContact CD2-CB 3.84Å; L414-L542 HydrophobicContact CD2-CB 4.21Å; L414-L542 HydrophobicContact CG-CB 4.23Å; L414-L542 HydrophobicContact CG-CD1 4.31Å; L414-I581 HydrophobicContact CB-CD1 4.33Å; L414-I581 HydrophobicContact CD2-CD1 4.05Å; L414-I581 HydrophobicContact CD2-CG1 4.14Å |
| 415 | K | 94.1 | Very high | 93.4 | Very high | 105 Ų | 105 | 20.8 Ų | 20.8 | 46% | 0.457 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -66.2 | -41.6 | -179.9 | 177.1 | 179.1 | 174.1 | 176.2 | 0 | 112.6 | T411 D412 D549 | T411-K415 WeakPolarHBondContact O-CB 3.48Å; T411-K415 PolarHBondContact O-N 2.86Å; D412-K415 PolarHBondContact O-N 3.19Å; K415-D549 WeakPolarHBondContact CE-OD2 3.26Å; K415-D549 IonicContact NZ-OD2 3.84Å; K415-D549 PolarHBondContact NZ-OD2 3.34Å |
| 416 | L | 93.4 | Very high | 94 | Very high | 37 Ų | 37 | 18 Ų | 18 | 19% | 0.194 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -77.8 | -41.2 | -173.7 | -66.3 | 165.4 | 0 | 0 | 0 | 112.1 | D412 N444 V448 V507 | D412-L416 HydrophobicContact CB-CD1 4.18Å; D412-L416 VanDerWaalsContact O-CB 3.25Å; D412-L416 WeakPolarHBondContact O-CB 3.21Å; D412-L416 WeakPolarHBondContact O-CD1 3.36Å; D412-L416 WeakPolarHBondContact O-CG 3.33Å; D412-L416 PolarHBondContact O-N 2.91Å; L416-N444 HydrophobicContact CD1-CB 4.13Å; L416-N444 WeakPolarHBondContact CD1-OD1 3.39Å; L416-V448 HydrophobicContact CD1-CG2 4.26Å; L416-V507 HydrophobicContact CB-CG1 3.58Å; L416-V507 HydrophobicContact CD1-CG1 3.63Å; L416-V507 HydrophobicContact CD2-CG1 4.21Å; L416-V507 HydrophobicContact CG-CG1 3.99Å |
| 417 | L | 95.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -95.3 | -25.3 | -177.8 | -63.1 | 179.3 | 0 | 0 | 0 | 113.1 | F413 N421 L425 V448 I505 N510 | F413-L417 HydrophobicContact CD2-CD1 4.08Å; F413-L417 HydrophobicContact CE2-CD1 3.76Å; F413-L417 HydrophobicContact CZ-CD1 4.39Å; F413-L417 PolarHBondContact O-N 2.99Å; L417-N421 HydrophobicContact CB-CB 4.08Å; L417-N421 WeakPolarHBondContact O-CB 3.42Å; L417-L425 HydrophobicContact CD1-CD2 3.61Å; L417-V448 HydrophobicContact CD1-CG1 3.82Å; L417-I505 HydrophobicContact CD2-CG2 3.64Å; L417-N510 VanDerWaalsContact C-OD1 3.32Å; L417-N510 VanDerWaalsContact CA-OD1 3.26Å; L417-N510 WeakPolarHBondContact CA-OD1 3.36Å; L417-N510 VanDerWaalsContact O-CG 3.26Å; L417-N510 PolarHBondContact O-ND2 3.42Å; L417-N510 PolarHBondContact O-OD1 3.29Å |
| 418 | G | 95.1 | Very high | 95.3 | Very high | 8 Ų | 8 | 16.6 Ų | 16.6 | 8% | 0.082 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | 64.6 | 173.2 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L414 D420 C422 | L414-G418 WeakPolarHBondContact O-CA 3.48Å; L414-G418 PolarHBondContact O-N 2.94Å; G418-D420 PolarHBondContact O-N 3.5Å; G418-C422 VanDerWaalsContact O-CB 3.3Å; G418-C422 WeakPolarHBondContact O-CB 3.21Å; G418-C422 PolarHBondContact O-N 2.62Å; G418-C422 PolarHBondContact O-SG 3.32Å |
| 419 | P | 97.3 | Very high | 95.9 | Very high | 14 Ų | 14 | 16 Ų | 16 | 9% | 0.091 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -61.2 | -45.1 | -167.2 | -26.1 | 36.8 | 0 | 0 | 0 | 113.7 | L414 M423 L538 Q539 L542 | L414-P419 HydrophobicContact CD1-CG 4.39Å; P419-M423 WeakPolarHBondContact O-CG 3.42Å; P419-M423 PolarHBondContact O-N 2.87Å; P419-L538 HydrophobicContact CB-CB 3.86Å; P419-L538 HydrophobicContact CG-CB 4.16Å; P419-Q539 HydrophobicContact CB-CG 4.18Å; P419-Q539 HydrophobicContact CG-CG 3.72Å; P419-L542 HydrophobicContact CG-CD2 4.36Å |
| 420 | D | 96 | Very high | 96.3 | Very high | 66 Ų | 66 | 15 Ų | 15 | 35% | 0.353 | 8% | 0.076 | S | C | . | . | H | α-helix | trans | -67.8 | -45.6 | -174.9 | -77.1 | -56.1 | 0 | 0 | 0 | 112.5 | G418 M423 Y424 K535 | G418-D420 PolarHBondContact O-N 3.5Å; D420-M423 PolarHBondContact O-N 3.36Å; D420-Y424 WeakPolarHBondContact O-CB 3.41Å; D420-Y424 PolarHBondContact O-N 3.47Å; D420-K535 VanDerWaalsContact OD1-CE 3.28Å; D420-K535 WeakPolarHBondContact OD1-CE 3.35Å; D420-K535 IonicContact OD1-NZ 2.94Å; D420-K535 PolarHBondContact OD1-NZ 3.25Å; D420-K535 WeakPolarHBondContact OD2-CE 3.48Å; D420-K535 IonicContact OD2-NZ 2.7Å; D420-K535 PolarHBondContact OD2-NZ 3.36Å |
| 421 | N | 95.7 | Very high | 96.4 | Very high | 34 Ų | 34 | 14.9 Ų | 14.9 | 18% | 0.182 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -75.7 | -29.8 | 179 | -68.4 | -25 | 0 | 0 | 0 | 112.1 | L417 Y424 L425 N510 | L417-N421 HydrophobicContact CB-CB 4.08Å; L417-N421 WeakPolarHBondContact O-CB 3.42Å; N421-Y424 PolarHBondContact O-N 3.21Å; N421-L425 WeakPolarHBondContact O-CB 3.49Å; N421-L425 PolarHBondContact O-N 3.46Å; N421-N510 PolarHBondContact ND2-O 3.02Å; N421-N510 VanDerWaalsContact ND2-O 3.1Å; N421-N510 PolarHBondContact ND2-OD1 3.43Å |
| 422 | C | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -57.1 | -49.4 | 167.9 | -74.6 | 0 | 0 | 0 | 0 | 111.4 | F413 G418 M426 F585 | F413-C422 HydrophobicContact CE1-CB 3.65Å; F413-C422 WeakPolarHBondContact CE1-SG 3.04Å; F413-C422 HydrophobicContact CZ-CB 3.85Å; G418-C422 VanDerWaalsContact O-CB 3.3Å; G418-C422 WeakPolarHBondContact O-CB 3.21Å; G418-C422 PolarHBondContact O-N 2.62Å; G418-C422 PolarHBondContact O-SG 3.32Å; C422-M426 PolarHBondContact O-N 3.37Å; C422-F585 HydrophobicContact CB-CZ 4.3Å |
| 423 | M | 98.3 | Very high | 96.7 | Very high | 3 Ų | 3 | 16.7 Ų | 16.7 | 2% | 0.015 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -67.9 | -37.5 | 179.3 | -66.3 | 170.2 | 62.1 | 0 | 0 | 112.3 | P419 D420 M426 L427 L523 L526 A531 L534 K535 L538 | P419-M423 WeakPolarHBondContact O-CG 3.42Å; P419-M423 PolarHBondContact O-N 2.87Å; D420-M423 PolarHBondContact O-N 3.36Å; M423-M426 WeakPolarHBondContact O-CB 3.14Å; M423-M426 PolarHBondContact O-N 2.89Å; M423-L427 PolarHBondContact O-N 3.4Å; M423-L523 HydrophobicContact CB-CD1 3.69Å; M423-L523 HydrophobicContact CE-CD1 4.36Å; M423-L523 HydrophobicContact CE-CD2 4.37Å; M423-L526 HydrophobicContact CB-CD1 4.49Å; M423-L526 HydrophobicContact CE-CD1 4.26Å; M423-A531 HydrophobicContact CE-CB 3.84Å; M423-A531 VanDerWaalsContact CE-O 3.23Å; M423-A531 WeakPolarHBondContact CE-O 3.4Å; M423-L534 HydrophobicContact CE-CD2 4.37Å; M423-L534 HydrophobicContact CG-CD2 3.82Å; M423-L534 HydrophobicContact CG-CG 4.02Å; M423-L534 HydrophobicContact SD-CD2 4.46Å; M423-L534 HydrophobicContact SD-CG 4.24Å; M423-K535 HydrophobicContact CE-CB 4.23Å; M423-K535 HydrophobicContact SD-CB 3.64Å; M423-K535 HydrophobicContact SD-CG 4.21Å; M423-L538 HydrophobicContact CG-CD1 4.07Å |
| 424 | Y | 97.8 | Very high | 96.7 | Very high | 16 Ų | 16 | 17.7 Ų | 17.7 | 6% | 0.063 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67.3 | -42.8 | 178 | -174.9 | -109.3 | 0 | 0 | 0 | 111.8 | D420 N421 M426 L427 L428 T503 V512 R518 Y521 | D420-Y424 WeakPolarHBondContact O-CB 3.41Å; D420-Y424 PolarHBondContact O-N 3.47Å; N421-Y424 PolarHBondContact O-N 3.21Å; Y424-M426 VanDerWaalsContact C-N 3.32Å; Y424-M426 PolarHBondContact O-N 2.79Å; Y424-L427 HydrophobicContact CD2-CD2 4.32Å; Y424-L427 HydrophobicContact CE2-CD2 4.41Å; Y424-L427 WeakPolarHBondContact O-CB 3.36Å; Y424-L427 PolarHBondContact O-N 3.03Å; Y424-L427 VanDerWaalsContact O-N 3.17Å; Y424-L428 HydrophobicContact CD1-CD1 4.18Å; Y424-L428 HydrophobicContact CD1-CG 4.48Å; Y424-L428 HydrophobicContact CE1-CD1 3.68Å; Y424-L428 HydrophobicContact CE1-CD2 4.33Å; Y424-L428 HydrophobicContact CE1-CG 4.07Å; Y424-L428 WeakPolarHBondContact O-CG 3.22Å; Y424-L428 PolarHBondContact O-N 2.97Å; Y424-T503 HydrophobicContact CE1-CG2 4.43Å; Y424-V512 HydrophobicContact CD1-CG2 4.43Å; Y424-V512 HydrophobicContact CE1-CG1 4.02Å; Y424-R518 WeakPolarHBondContact OH-CA 3.5Å; Y424-R518 WeakPolarHBondContact OH-CB 3.04Å; Y424-R518 WeakPolarHBondContact OH-CG 3.3Å; Y424-Y521 WeakPolarHBondContact CE2-O 3.48Å |
| 425 | L | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.5 | -41.7 | 173 | 173.2 | 50 | 0 | 0 | 0 | 111.1 | F413 L417 N421 L427 L428 V429 V435 V448 I452 I505 | F413-L425 HydrophobicContact CE2-CD2 3.99Å; L417-L425 HydrophobicContact CD1-CD2 3.61Å; N421-L425 WeakPolarHBondContact O-CB 3.49Å; N421-L425 PolarHBondContact O-N 3.46Å; L425-L427 VanDerWaalsContact C-N 3.34Å; L425-L427 PolarHBondContact O-N 3.44Å; L425-L428 PolarHBondContact O-N 3.37Å; L425-V429 HydrophobicContact CD1-CG2 4.01Å; L425-V429 WeakPolarHBondContact O-CG2 3.3Å; L425-V429 PolarHBondContact O-N 3.11Å; L425-V435 HydrophobicContact CD1-CG1 3.61Å; L425-V435 HydrophobicContact CD1-CG2 4.34Å; L425-V448 HydrophobicContact CD2-CG1 3.98Å; L425-I452 HydrophobicContact CD1-CG1 4.24Å; L425-I452 HydrophobicContact CD2-CB 4.26Å; L425-I452 HydrophobicContact CD2-CG1 4.3Å; L425-I452 HydrophobicContact CD2-CG2 4.48Å; L425-I452 HydrophobicContact CG-CB 4.29Å; L425-I452 HydrophobicContact CG-CD1 3.94Å; L425-I452 HydrophobicContact CG-CG1 3.78Å; L425-I505 HydrophobicContact CB-CD1 4.02Å; L425-I505 HydrophobicContact CD1-CD1 3.63Å; L425-I505 HydrophobicContact CD2-CD1 4.11Å; L425-I505 HydrophobicContact CG-CD1 4.1Å |
| 426 | M | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -59.6 | -43.2 | 172.9 | -178.2 | -171.9 | 65.8 | 0 | 0 | 112.2 | C422 M423 Y424 L428 V429 L430 I452 I456 L526 L534 F585 F588 | C422-M426 PolarHBondContact O-N 3.37Å; M423-M426 WeakPolarHBondContact O-CB 3.14Å; M423-M426 PolarHBondContact O-N 2.89Å; Y424-M426 VanDerWaalsContact C-N 3.32Å; Y424-M426 PolarHBondContact O-N 2.79Å; M426-L428 VanDerWaalsContact C-N 3.34Å; M426-L428 PolarHBondContact O-N 3.13Å; M426-V429 PolarHBondContact O-N 3.48Å; M426-L430 HydrophobicContact CG-CD1 3.84Å; M426-L430 HydrophobicContact CG-CG 4.19Å; M426-L430 WeakPolarHBondContact O-CB 3.35Å; M426-L430 VanDerWaalsContact O-CG 3.25Å; M426-L430 WeakPolarHBondContact O-CG 3.25Å; M426-L430 PolarHBondContact O-N 2.96Å; M426-L430 HydrophobicContact SD-CD1 4.4Å; M426-I452 HydrophobicContact CB-CD1 3.94Å; M426-I456 HydrophobicContact CG-CG2 4.23Å; M426-L526 HydrophobicContact CE-CD1 4.26Å; M426-L534 HydrophobicContact CE-CD2 3.64Å; M426-L534 HydrophobicContact SD-CD2 4.4Å; M426-F585 HydrophobicContact CB-CE1 4.47Å; M426-F585 HydrophobicContact SD-CD1 3.61Å; M426-F585 HydrophobicContact SD-CE1 3.73Å; M426-F588 HydrophobicContact CE-CD1 3.67Å; M426-F588 HydrophobicContact CE-CE1 3.3Å; M426-F588 HydrophobicContact CE-CE2 4.33Å; M426-F588 HydrophobicContact CE-CG 4.35Å; M426-F588 HydrophobicContact CE-CZ 3.69Å; M426-F588 HydrophobicContact SD-CD1 3.82Å; M426-F588 HydrophobicContact SD-CE1 3.86Å |
| 427 | L | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -58.5 | -45.3 | 175.1 | 173.1 | 65.1 | 0 | 0 | 0 | 111.7 | M423 Y424 L425 L430 L431 L525 L526 F634 | M423-L427 PolarHBondContact O-N 3.4Å; Y424-L427 HydrophobicContact CD2-CD2 4.32Å; Y424-L427 HydrophobicContact CE2-CD2 4.41Å; Y424-L427 WeakPolarHBondContact O-CB 3.36Å; Y424-L427 PolarHBondContact O-N 3.03Å; Y424-L427 VanDerWaalsContact O-N 3.17Å; L425-L427 VanDerWaalsContact C-N 3.34Å; L425-L427 PolarHBondContact O-N 3.44Å; L427-L430 PolarHBondContact O-N 3.31Å; L427-L431 HydrophobicContact CD1-CD1 3.64Å; L427-L431 HydrophobicContact CD1-CG 4.02Å; L427-L431 HydrophobicContact CG-CD1 4.25Å; L427-L431 WeakPolarHBondContact O-CB 3.48Å; L427-L431 VanDerWaalsContact O-CG 3.3Å; L427-L431 WeakPolarHBondContact O-CG 3.41Å; L427-L431 PolarHBondContact O-N 3.39Å; L427-L431 VanDerWaalsContact O-N 3.11Å; L427-L525 HydrophobicContact CD1-CD2 4.24Å; L427-L525 HydrophobicContact CD2-CB 4.42Å; L427-L526 HydrophobicContact CB-CD1 4.44Å; L427-L526 HydrophobicContact CB-CD2 4.14Å; L427-L526 HydrophobicContact CB-CG 4.32Å; L427-L526 HydrophobicContact CD1-CD2 3.68Å; L427-L526 HydrophobicContact CD1-CG 4.1Å; L427-L526 HydrophobicContact CG-CD2 4.43Å; L427-F634 HydrophobicContact CD1-CD2 4.14Å; L427-F634 HydrophobicContact CD1-CE2 4.11Å |
| 428 | L | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -63.1 | -43.1 | 179.5 | -65.9 | -178.7 | 0 | 0 | 0 | 112.2 | Y424 L425 M426 L431 E432 Q433 V435 T503 I517 | Y424-L428 HydrophobicContact CD1-CD1 4.18Å; Y424-L428 HydrophobicContact CD1-CG 4.48Å; Y424-L428 HydrophobicContact CE1-CD1 3.68Å; Y424-L428 HydrophobicContact CE1-CD2 4.33Å; Y424-L428 HydrophobicContact CE1-CG 4.07Å; Y424-L428 WeakPolarHBondContact O-CG 3.22Å; Y424-L428 PolarHBondContact O-N 2.97Å; L425-L428 PolarHBondContact O-N 3.37Å; M426-L428 VanDerWaalsContact C-N 3.34Å; M426-L428 PolarHBondContact O-N 3.13Å; L428-L431 CarbonylContact O-C 3.58Å; L428-L431 PolarHBondContact O-N 3Å; L428-E432 PolarHBondContact O-N 2.98Å; L428-Q433 HydrophobicContact CB-CB 4.19Å; L428-Q433 HydrophobicContact CD2-CB 4.19Å; L428-Q433 HydrophobicContact CD2-CG 4.13Å; L428-Q433 WeakPolarHBondContact O-CB 3.41Å; L428-Q433 PolarHBondContact O-N 3.1Å; L428-V435 HydrophobicContact CB-CG2 3.82Å; L428-V435 HydrophobicContact CD1-CG2 4.15Å; L428-T503 HydrophobicContact CD1-CG2 3.73Å; L428-I517 HydrophobicContact CD2-CG2 3.68Å |
| 429 | V | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -67.9 | -45.5 | 178.5 | 174.6 | 0 | 0 | 0 | 0 | 110.7 | L425 M426 L431 E432 I452 I456 W461 V484 L643 | L425-V429 HydrophobicContact CD1-CG2 4.01Å; L425-V429 WeakPolarHBondContact O-CG2 3.3Å; L425-V429 PolarHBondContact O-N 3.11Å; M426-V429 PolarHBondContact O-N 3.48Å; V429-L431 PolarHBondContact O-N 2.91Å; V429-L431 VanDerWaalsContact O-N 3.15Å; V429-E432 PolarHBondContact O-N 3.37Å; V429-I452 HydrophobicContact CB-CG1 4.25Å; V429-I452 HydrophobicContact CG2-CG1 3.73Å; V429-I452 HydrophobicContact CG2-CG2 4.41Å; V429-I456 HydrophobicContact CG1-CD1 3.82Å; V429-I456 HydrophobicContact CG1-CG2 4.06Å; V429-W461 HydrophobicContact CB-CZ3 4.45Å; V429-W461 HydrophobicContact CG1-CE3 3.66Å; V429-W461 HydrophobicContact CG1-CZ3 3.79Å; V429-V484 HydrophobicContact CG2-CG2 4.12Å; V429-L643 WeakPolarHBondContact O-CD1 3.29Å |
| 430 | L | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -60.3 | -24.8 | 176.5 | -74.7 | 175.5 | 0 | 0 | 0 | 113.5 | M426 L427 I456 F459 F588 M589 I592 F634 L638 | M426-L430 HydrophobicContact CG-CD1 3.84Å; M426-L430 HydrophobicContact CG-CG 4.19Å; M426-L430 WeakPolarHBondContact O-CB 3.35Å; M426-L430 VanDerWaalsContact O-CG 3.25Å; M426-L430 WeakPolarHBondContact O-CG 3.25Å; M426-L430 PolarHBondContact O-N 2.96Å; M426-L430 HydrophobicContact SD-CD1 4.4Å; L427-L430 PolarHBondContact O-N 3.31Å; L430-I456 HydrophobicContact CD2-CB 4.18Å; L430-I456 HydrophobicContact CD2-CG2 3.99Å; L430-I456 HydrophobicContact CG-CG2 4.19Å; L430-F459 HydrophobicContact CD2-CD2 3.6Å; L430-F459 HydrophobicContact CD2-CE2 3.93Å; L430-F588 HydrophobicContact CD1-CE1 4.42Å; L430-M589 HydrophobicContact CD1-SD 4.42Å; L430-M589 HydrophobicContact CD2-CE 3.96Å; L430-M589 HydrophobicContact CD2-SD 4.3Å; L430-I592 HydrophobicContact CD1-CD1 4.42Å; L430-F634 HydrophobicContact CD1-CZ 4.4Å; L430-L638 HydrophobicContact CB-CD1 4.37Å; L430-L638 HydrophobicContact CD2-CD1 4.49Å; L430-L638 WeakPolarHBondContact O-CD1 3.33Å |
| 431 | L | 97.2 | Very high | 95.6 | Very high | 10 Ų | 10 | 13.3 Ų | 13.3 | 5% | 0.052 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 11.4 | 177.6 | -62.4 | -173.2 | 0 | 0 | 0 | 113.1 | L427 L428 V429 Q433 Y521 L525 F634 L637 | L427-L431 HydrophobicContact CD1-CD1 3.64Å; L427-L431 HydrophobicContact CD1-CG 4.02Å; L427-L431 HydrophobicContact CG-CD1 4.25Å; L427-L431 WeakPolarHBondContact O-CB 3.48Å; L427-L431 VanDerWaalsContact O-CG 3.3Å; L427-L431 WeakPolarHBondContact O-CG 3.41Å; L427-L431 PolarHBondContact O-N 3.39Å; L427-L431 VanDerWaalsContact O-N 3.11Å; L428-L431 CarbonylContact O-C 3.58Å; L428-L431 PolarHBondContact O-N 3Å; V429-L431 PolarHBondContact O-N 2.91Å; V429-L431 VanDerWaalsContact O-N 3.15Å; L431-Q433 HydrophobicContact CB-CG 4.18Å; L431-Q433 PolarHBondContact O-N 2.92Å; L431-Q433 PolarHBondContact O-NE2 3.36Å; L431-Y521 HydrophobicContact CD1-CD1 4.43Å; L431-Y521 HydrophobicContact CD1-CD2 4.37Å; L431-Y521 HydrophobicContact CD1-CG 4.34Å; L431-L525 HydrophobicContact CD1-CD2 3.86Å; L431-F634 HydrophobicContact CD2-CD2 4.38Å; L431-F634 HydrophobicContact CD2-CE2 4.34Å; L431-L637 HydrophobicContact CD1-CD1 4.23Å; L431-L637 HydrophobicContact CD2-CB 3.66Å |
| 432 | E | 97.1 | Very high | 95.1 | Very high | 23 Ų | 23 | 12.1 Ų | 12.1 | 11% | 0.107 | 5% | 0.052 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 55.1 | 179.8 | -61.8 | -176.5 | 156.6 | 0 | 0 | 113 | L428 V429 W461 P482 T641 Q642 L643 | L428-E432 PolarHBondContact O-N 2.98Å; V429-E432 PolarHBondContact O-N 3.37Å; E432-W461 HydrophobicContact CG-CZ3 4.5Å; E432-P482 HydrophobicContact CB-CB 4.17Å; E432-P482 HydrophobicContact CB-CG 3.98Å; E432-P482 VanDerWaalsContact O-CB 3.25Å; E432-P482 WeakPolarHBondContact O-CB 3.45Å; E432-P482 WeakPolarHBondContact O-CG 3.46Å; E432-T641 HydrophobicContact CB-CG2 4.43Å; E432-T641 VanDerWaalsContact CD-CB 3.44Å; E432-T641 HydrophobicContact CG-CG2 3.93Å; E432-T641 WeakPolarHBondContact OE2-CA 3.26Å; E432-T641 WeakPolarHBondContact OE2-CB 3.45Å; E432-Q642 VanDerWaalsContact OE1-CA 3.24Å; E432-Q642 WeakPolarHBondContact OE1-CA 3.5Å; E432-Q642 WeakPolarHBondContact OE1-CB 3.49Å; E432-Q642 PolarHBondContact OE1-N 2.91Å; E432-Q642 PolarHBondContact OE2-N 3.06Å; E432-L643 HydrophobicContact CG-CD1 4.04Å; E432-L643 HydrophobicContact CG-CG 3.91Å; E432-L643 WeakPolarHBondContact OE1-CG 3.31Å; E432-L643 PolarHBondContact OE1-N 3.24Å |
| 433 | Q | 96 | Very high | 94.4 | Very high | 33 Ų | 33 | 16.8 Ų | 16.8 | 15% | 0.154 | 7% | 0.069 | C | C | . | . | trans | -95.6 | 160.7 | 176 | -59.3 | -54.5 | -64.4 | 0 | 0 | 111.7 | L428 L431 V435 I517 Y521 | L428-Q433 HydrophobicContact CB-CB 4.19Å; L428-Q433 HydrophobicContact CD2-CB 4.19Å; L428-Q433 HydrophobicContact CD2-CG 4.13Å; L428-Q433 WeakPolarHBondContact O-CB 3.41Å; L428-Q433 PolarHBondContact O-N 3.1Å; L431-Q433 HydrophobicContact CB-CG 4.18Å; L431-Q433 PolarHBondContact O-N 2.92Å; L431-Q433 PolarHBondContact O-NE2 3.36Å; Q433-V435 PolarHBondContact O-N 3.26Å; Q433-I517 HydrophobicContact CB-CD1 4.14Å; Q433-I517 HydrophobicContact CB-CG2 4.3Å; Q433-I517 HydrophobicContact CG-CD1 4.5Å; Q433-I517 HydrophobicContact CG-CG2 4Å; Q433-I517 VanDerWaalsContact OE1-CD1 3.28Å; Q433-Y521 HydrophobicContact CG-CD2 4.36Å; Q433-Y521 HydrophobicContact CG-CE2 4.17Å | ||
| 434 | K | 95.4 | Very high | 94 | Very high | 21 Ų | 21 | 16.8 Ų | 16.8 | 9% | 0.091 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 111.8 | 174 | -63.1 | 178.4 | -178.9 | -179.1 | 0 | 110 | A479 L481 F483 D501 V502 T503 | K434-A479 WeakPolarHBondContact CE-O 3.28Å; K434-A479 PolarHBondContact NZ-O 2.92Å; K434-L481 WeakPolarHBondContact CE-O 3.4Å; K434-F483 HydrophobicContact CB-CD1 4.36Å; K434-F483 HydrophobicContact CB-CE1 3.98Å; K434-F483 HydrophobicContact CB-CE2 4.47Å; K434-F483 HydrophobicContact CB-CZ 4.04Å; K434-F483 HydrophobicContact CD-CD1 4.4Å; K434-F483 HydrophobicContact CD-CE1 3.81Å; K434-F483 HydrophobicContact CD-CZ 4.43Å; K434-F483 HydrophobicContact CG-CD1 4.05Å; K434-F483 HydrophobicContact CG-CE1 3.84Å; K434-F483 HydrophobicContact CG-CZ 4.4Å; K434-D501 VanDerWaalsContact CE-OD2 3.3Å; K434-D501 WeakPolarHBondContact CE-OD2 2.99Å; K434-D501 IonicContact NZ-OD1 3.73Å; K434-D501 IonicContact NZ-OD2 2.74Å; K434-D501 PolarHBondContact NZ-OD2 3.28Å; K434-V502 HydrophobicContact CB-CG2 4.16Å; K434-V502 HydrophobicContact CD-CG2 4.01Å; K434-T503 PolarHBondContact O-N 2.95Å |
| 435 | V | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 121.1 | -177.4 | -179.9 | 0 | 0 | 0 | 0 | 109.5 | L425 L428 Q433 I437 F483 V484 A485 I505 | L425-V435 HydrophobicContact CD1-CG1 3.61Å; L425-V435 HydrophobicContact CD1-CG2 4.34Å; L428-V435 HydrophobicContact CB-CG2 3.82Å; L428-V435 HydrophobicContact CD1-CG2 4.15Å; Q433-V435 PolarHBondContact O-N 3.26Å; V435-I437 HydrophobicContact CG1-CG1 4.12Å; V435-F483 PolarHBondContact N-O 3.09Å; V435-V484 HydrophobicContact CB-CG2 4.41Å; V435-A485 PolarHBondContact O-N 3.2Å; V435-I505 HydrophobicContact CG1-CD1 3.98Å |
| 436 | L | 95.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 109.9 | 172 | -176.9 | 59.5 | 0 | 0 | 0 | 109.3 | L477 A485 V487 F492 P498 V502 T503 C504 I505 | L436-L477 HydrophobicContact CD1-CD1 4.37Å; L436-L477 HydrophobicContact CD1-CD2 3.63Å; L436-L477 HydrophobicContact CD2-CD1 4.16Å; L436-L477 HydrophobicContact CD2-CD2 4.43Å; L436-A485 CarbonylContact C-O 3.58Å; L436-A485 WeakPolarHBondContact CA-O 3.44Å; L436-A485 HydrophobicContact CD1-CB 4.09Å; L436-V487 HydrophobicContact CD1-CB 4.38Å; L436-V487 HydrophobicContact CD1-CG1 3.94Å; L436-V487 HydrophobicContact CD1-CG2 3.76Å; L436-V487 HydrophobicContact CD2-CG2 4.12Å; L436-V487 HydrophobicContact CG-CG2 4.07Å; L436-F492 HydrophobicContact CD2-CZ 4.02Å; L436-P498 HydrophobicContact CD2-CB 4.43Å; L436-P498 HydrophobicContact CD2-CG 4.11Å; L436-V502 HydrophobicContact CB-CG1 3.68Å; L436-T503 PolarHBondContact N-O 3.26Å; L436-C504 CarbonylContact O-C 3.36Å; L436-C504 WeakPolarHBondContact O-CA 3.15Å; L436-I505 PolarHBondContact O-N 3.41Å |
| 437 | I | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 138.4 | 173.2 | -58.4 | 163.1 | 0 | 0 | 0 | 107 | V435 L445 V448 A449 V484 A485 G486 V487 V507 | V435-I437 HydrophobicContact CG1-CG1 4.12Å; I437-L445 HydrophobicContact CG2-CD2 4.06Å; I437-V448 HydrophobicContact CD1-CG1 3.9Å; I437-V448 HydrophobicContact CG2-CB 4.48Å; I437-V448 HydrophobicContact CG2-CG1 4.26Å; I437-A449 HydrophobicContact CD1-CB 3.88Å; I437-V484 HydrophobicContact CD1-CG1 4.25Å; I437-A485 PolarHBondContact N-O 2.96Å; I437-G486 CarbonylContact O-C 3.53Å; I437-G486 WeakPolarHBondContact O-CA 3.45Å; I437-V487 PolarHBondContact O-N 2.85Å; I437-V507 HydrophobicContact CG2-CG2 3.31Å |
| 438 | H | 93.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 151.9 | 171.2 | 73.3 | 96.3 | 0 | 0 | 0 | 112.6 | H180 V487 S489 F492 I505 D506 V507 | H180-H438 AromaticContact CE1-NE2 3.1Å; H180-H438 PolarHBondContact CE1-NE2 3.46Å; H180-H438 AromaticContact NE2-NE2 3.25Å; H180-H438 PolarHBondContact NE2-NE2 2.82Å; H438-V487 WeakPolarHBondContact CA-O 3.47Å; H438-V487 HydrophobicContact CB-CG2 3.79Å; H438-V487 VanDerWaalsContact CB-O 3.27Å; H438-V487 WeakPolarHBondContact CB-O 3.35Å; H438-S489 WeakPolarHBondContact ND1-CB 3.48Å; H438-S489 PolarHBondContact ND1-OG 2.92Å; H438-F492 HydrophobicContact CB-CE2 3.89Å; H438-F492 AromaticContact CD2-CE2 3.61Å; H438-F492 AromaticContact CD2-CZ 3.94Å; H438-F492 AromaticContact CG-CE2 3.46Å; H438-F492 VanDerWaalsContact CG-CE2 3.46Å; H438-F492 AromaticContact ND1-CE2 3.75Å; H438-F492 AromaticContact NE2-CE2 3.97Å; H438-I505 PolarHBondContact CD2-O 3.41Å; H438-I505 PolarHBondContact N-O 2.98Å; H438-D506 VanDerWaalsContact CE1-CB 3.41Å; H438-D506 WeakPolarHBondContact CE1-CB 3.45Å; H438-D506 IonicContact CE1-OD1 3.72Å; H438-D506 IonicContact CE1-OD2 2.84Å; H438-D506 VanDerWaalsContact NE2-CA 3.33Å; H438-D506 WeakPolarHBondContact NE2-CA 3.32Å; H438-D506 VanDerWaalsContact NE2-CB 3.26Å; H438-D506 WeakPolarHBondContact NE2-CB 3.12Å; H438-V507 WeakPolarHBondContact O-CG2 3.11Å; H438-V507 PolarHBondContact O-N 3.39Å |
| 439 | S | 92.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 145.9 | -178.4 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | R441 N444 V487 D488 S489 D508 | S439-R441 PolarHBondContact O-N 3.33Å; S439-R441 PolarHBondContact OG-N 2.96Å; S439-R441 PolarHBondContact OG-O 3.17Å; S439-N444 PolarHBondContact OG-ND2 3.05Å; S439-V487 PolarHBondContact N-O 2.8Å; S439-D488 WeakPolarHBondContact O-CA 3.3Å; S439-S489 VanDerWaalsContact CA-OG 3.28Å; S439-S489 WeakPolarHBondContact CA-OG 3.41Å; S439-S489 PolarHBondContact N-OG 2.91Å; S439-S489 PolarHBondContact O-N 3.32Å; S439-D508 WeakPolarHBondContact CA-OD2 3.39Å; S439-D508 VanDerWaalsContact OG-CG 3.25Å; S439-D508 PolarHBondContact OG-OD1 3.32Å; S439-D508 PolarHBondContact OG-OD2 2.81Å |
| 440 | L | 85.4 | Confident | 92.6 | Very high | 14 Ų | 14 | 16.7 Ų | 16.7 | 7% | 0.073 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -70.9 | -5.7 | 165.9 | -63.9 | 175.8 | 0 | 0 | 0 | 112.5 | F162 S489 D508 | F162-L440 HydrophobicContact CD1-CD1 3.98Å; F162-L440 HydrophobicContact CD1-CD2 4.21Å; F162-L440 HydrophobicContact CD2-CD1 4.13Å; F162-L440 HydrophobicContact CE1-CB 4.31Å; F162-L440 HydrophobicContact CE1-CD1 3.98Å; F162-L440 HydrophobicContact CE1-CD2 3.5Å; F162-L440 HydrophobicContact CE1-CG 4.13Å; F162-L440 HydrophobicContact CE2-CB 3.83Å; F162-L440 HydrophobicContact CE2-CD1 4.09Å; F162-L440 HydrophobicContact CE2-CG 4.37Å; F162-L440 HydrophobicContact CG-CD1 4.09Å; F162-L440 HydrophobicContact CZ-CB 3.66Å; F162-L440 HydrophobicContact CZ-CD1 4.03Å; F162-L440 HydrophobicContact CZ-CD2 3.69Å; F162-L440 HydrophobicContact CZ-CG 3.99Å; L440-S489 PolarHBondContact N-OG 3.05Å; L440-D508 PolarHBondContact N-OD2 3.19Å |
| 441 | R | 86.4 | Confident | 92.5 | Very high | 125 Ų | 125 | 16.7 Ų | 16.7 | 47% | 0.472 | 7% | 0.071 | S | C | . | . | S | Bend | trans | -117.9 | 97.6 | 179.9 | -58.9 | 179.3 | -175.5 | 94 | -0.7 | 109 | S439 W443 N444 D508 | S439-R441 PolarHBondContact O-N 3.33Å; S439-R441 PolarHBondContact OG-N 2.96Å; S439-R441 PolarHBondContact OG-O 3.17Å; R441-W443 VanDerWaalsContact C-N 3.26Å; R441-W443 PolarHBondContact O-N 3.47Å; R441-N444 HydrophobicContact CB-CB 4.5Å; R441-N444 VanDerWaalsContact O-CB 3.31Å; R441-N444 WeakPolarHBondContact O-CB 3.41Å; R441-N444 PolarHBondContact O-N 3.5Å; R441-D508 IonicContact CZ-OD1 3.7Å; R441-D508 IonicContact NH1-OD1 2.91Å; R441-D508 PolarHBondContact NH1-OD1 2.84Å |
| 442 | P | 84.3 | Confident | 92.5 | Very high | 9 Ų | 9 | 16.2 Ų | 16.2 | 6% | 0.058 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -44.9 | -43 | -177.8 | -39.8 | 42.1 | 0 | 0 | 0 | 116.4 | Q260 T262 N444 L445 | Q260-P442 VanDerWaalsContact NE2-CG 3.31Å; T262-P442 HydrophobicContact CG2-CB 3.55Å; T262-P442 HydrophobicContact CG2-CG 3.9Å; P442-N444 PolarHBondContact O-N 2.91Å; P442-L445 WeakPolarHBondContact O-CB 3.27Å; P442-L445 PolarHBondContact O-N 3.3Å; P442-L445 VanDerWaalsContact O-N 3.09Å |
| 443 | W | 84 | Confident | 92.3 | Very high | 98 Ų | 98 | 15.7 Ų | 15.7 | 37% | 0.371 | 7% | 0.068 | S | C | . | . | H | α-helix | trans | -62 | -25.3 | -178.5 | 81.8 | -35 | 0 | 0 | 0 | 113.8 | R441 L445 S447 | R441-W443 VanDerWaalsContact C-N 3.26Å; R441-W443 PolarHBondContact O-N 3.47Å; W443-L445 VanDerWaalsContact C-N 3.34Å; W443-S447 WeakPolarHBondContact O-CB 3.5Å; W443-S447 PolarHBondContact O-N 3.22Å; W443-S447 VanDerWaalsContact O-N 3.15Å; W443-S447 PolarHBondContact O-OG 2.91Å |
| 444 | N | 90.8 | Very high | 92.2 | Very high | 4 Ų | 4 | 15.1 Ų | 15.1 | 2% | 0.021 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -71.2 | -34.8 | 178.5 | -77.3 | -13 | 0 | 0 | 0 | 110.2 | L416 S439 R441 P442 S447 V448 V507 | L416-N444 HydrophobicContact CD1-CB 4.13Å; L416-N444 WeakPolarHBondContact CD1-OD1 3.39Å; S439-N444 PolarHBondContact OG-ND2 3.05Å; R441-N444 HydrophobicContact CB-CB 4.5Å; R441-N444 VanDerWaalsContact O-CB 3.31Å; R441-N444 WeakPolarHBondContact O-CB 3.41Å; R441-N444 PolarHBondContact O-N 3.5Å; P442-N444 PolarHBondContact O-N 2.91Å; N444-S447 PolarHBondContact O-N 2.8Å; N444-V448 WeakPolarHBondContact O-CB 3.24Å; N444-V448 VanDerWaalsContact O-CG2 3.29Å; N444-V448 WeakPolarHBondContact O-CG2 3.39Å; N444-V448 PolarHBondContact O-N 3.49Å; N444-V507 HydrophobicContact CB-CG1 4.11Å |
| 445 | L | 93 | Very high | 92.3 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.005 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -60.3 | -55.5 | -178.2 | -57.8 | 176.2 | 0 | 0 | 0 | 110.2 | I437 P442 W443 S447 V448 A449 P467 Q468 | I437-L445 HydrophobicContact CG2-CD2 4.06Å; P442-L445 WeakPolarHBondContact O-CB 3.27Å; P442-L445 PolarHBondContact O-N 3.3Å; P442-L445 VanDerWaalsContact O-N 3.09Å; W443-L445 VanDerWaalsContact C-N 3.34Å; L445-S447 VanDerWaalsContact C-N 3.35Å; L445-S447 PolarHBondContact O-N 2.78Å; L445-V448 PolarHBondContact O-N 2.92Å; L445-A449 WeakPolarHBondContact O-CB 3.49Å; L445-A449 PolarHBondContact O-N 2.84Å; L445-P467 VanDerWaalsContact CB-O 3.25Å; L445-P467 WeakPolarHBondContact CB-O 3.29Å; L445-Q468 HydrophobicContact CD1-CG 4.34Å |
| 446 | T | 91 | Very high | 92.3 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -66 | -38 | 179.1 | -57 | 0 | 0 | 0 | 0 | 111.8 | T263 V265 F340 V448 E450 P467 | T263-T446 WeakPolarHBondContact O-CB 3.39Å; T263-T446 PolarHBondContact O-OG1 3.11Å; T263-T446 WeakPolarHBondContact OG1-CB 3.34Å; V265-T446 HydrophobicContact CG2-CG2 4.03Å; F340-T446 HydrophobicContact CE2-CG2 4.43Å; T446-V448 PolarHBondContact O-N 2.82Å; T446-E450 HydrophobicContact CG2-CG 4.21Å; T446-E450 VanDerWaalsContact O-CB 3.23Å; T446-E450 WeakPolarHBondContact O-CB 3.47Å; T446-E450 PolarHBondContact O-N 2.78Å; T446-P467 HydrophobicContact CG2-CB 4.27Å |
| 447 | S | 89.6 | Confident | 92.3 | Very high | 12 Ų | 12 | 15 Ų | 15 | 8% | 0.084 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -59.7 | -47.2 | 176 | -62.8 | 0 | 0 | 0 | 0 | 112.4 | W443 N444 L445 A451 | W443-S447 WeakPolarHBondContact O-CB 3.5Å; W443-S447 PolarHBondContact O-N 3.22Å; W443-S447 VanDerWaalsContact O-N 3.15Å; W443-S447 PolarHBondContact O-OG 2.91Å; N444-S447 PolarHBondContact O-N 2.8Å; L445-S447 VanDerWaalsContact C-N 3.35Å; L445-S447 PolarHBondContact O-N 2.78Å; S447-A451 WeakPolarHBondContact O-CB 3.41Å; S447-A451 PolarHBondContact O-N 3.1Å |
| 448 | V | 94.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -73.4 | -43.5 | -178.7 | 173 | 0 | 0 | 0 | 0 | 111.4 | F413 L416 L417 L425 I437 N444 L445 T446 A451 I452 V507 | F413-V448 HydrophobicContact CD2-CB 4.4Å; F413-V448 HydrophobicContact CD2-CG1 3.97Å; F413-V448 HydrophobicContact CD2-CG2 4.48Å; F413-V448 HydrophobicContact CE2-CG1 4.22Å; L416-V448 HydrophobicContact CD1-CG2 4.26Å; L417-V448 HydrophobicContact CD1-CG1 3.82Å; L425-V448 HydrophobicContact CD2-CG1 3.98Å; I437-V448 HydrophobicContact CD1-CG1 3.9Å; I437-V448 HydrophobicContact CG2-CB 4.48Å; I437-V448 HydrophobicContact CG2-CG1 4.26Å; N444-V448 WeakPolarHBondContact O-CB 3.24Å; N444-V448 VanDerWaalsContact O-CG2 3.29Å; N444-V448 WeakPolarHBondContact O-CG2 3.39Å; N444-V448 PolarHBondContact O-N 3.49Å; L445-V448 PolarHBondContact O-N 2.92Å; T446-V448 PolarHBondContact O-N 2.82Å; V448-A451 PolarHBondContact O-N 3.15Å; V448-I452 PolarHBondContact O-N 3.18Å; V448-V507 HydrophobicContact CG2-CG1 4Å; V448-V507 HydrophobicContact CG2-CG2 4.34Å |
| 449 | A | 95 | Very high | 92.3 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -67.8 | -42.8 | -178 | 0 | 0 | 0 | 0 | 0 | 112.4 | I437 L445 I452 C453 Y465 P467 V484 | I437-A449 HydrophobicContact CD1-CB 3.88Å; L445-A449 WeakPolarHBondContact O-CB 3.49Å; L445-A449 PolarHBondContact O-N 2.84Å; A449-I452 WeakPolarHBondContact O-CG2 3.38Å; A449-C453 PolarHBondContact O-N 3.44Å; A449-C453 PolarHBondContact O-SG 3.02Å; A449-C453 VanDerWaalsContact O-SG 3.38Å; A449-Y465 HydrophobicContact CB-CE2 3.93Å; A449-P467 HydrophobicContact CB-CB 3.75Å; A449-V484 HydrophobicContact CB-CG1 4.35Å |
| 450 | E | 93.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.9 | -44.7 | 172.6 | -85.9 | -65.7 | 126.8 | 0 | 0 | 111.1 | V265 K273 S406 A408 T446 I452 C453 N454 Y465 | V265-E450 HydrophobicContact CG2-CG 4.15Å; K273-E450 VanDerWaalsContact NZ-CD 3.32Å; K273-E450 IonicContact NZ-OE1 3.26Å; K273-E450 PolarHBondContact NZ-OE1 3.27Å; K273-E450 IonicContact NZ-OE2 2.96Å; K273-E450 PolarHBondContact NZ-OE2 2.78Å; K273-E450 VanDerWaalsContact NZ-OE2 3.11Å; S406-E450 PolarHBondContact OG-OE2 3.38Å; A408-E450 HydrophobicContact CB-CB 3.92Å; T446-E450 HydrophobicContact CG2-CG 4.21Å; T446-E450 VanDerWaalsContact O-CB 3.23Å; T446-E450 WeakPolarHBondContact O-CB 3.47Å; T446-E450 PolarHBondContact O-N 2.78Å; E450-I452 PolarHBondContact O-N 3.25Å; E450-C453 PolarHBondContact O-N 2.76Å; E450-N454 PolarHBondContact O-N 2.8Å; E450-N454 VanDerWaalsContact O-N 3.08Å; E450-Y465 WeakPolarHBondContact CA-OH 3.43Å; E450-Y465 VanDerWaalsContact CD-OH 3.24Å; E450-Y465 VanDerWaalsContact CG-OH 3.25Å; E450-Y465 WeakPolarHBondContact CG-OH 3.41Å; E450-Y465 PolarHBondContact N-OH 3.07Å; E450-Y465 WeakPolarHBondContact OE1-CE1 3.45Å; E450-Y465 PolarHBondContact OE1-OH 3.08Å |
| 451 | A | 95.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -58.5 | -50.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | A408 Y410 F413 S447 V448 C453 N454 L455 | A408-A451 VanDerWaalsContact CB-CA 3.45Å; A408-A451 HydrophobicContact CB-CB 3.87Å; Y410-A451 HydrophobicContact CD1-CB 3.98Å; Y410-A451 HydrophobicContact CE1-CB 4.16Å; F413-A451 HydrophobicContact CB-CB 3.78Å; F413-A451 HydrophobicContact CD2-CB 3.77Å; F413-A451 HydrophobicContact CG-CB 3.79Å; S447-A451 WeakPolarHBondContact O-CB 3.41Å; S447-A451 PolarHBondContact O-N 3.1Å; V448-A451 PolarHBondContact O-N 3.15Å; A451-C453 PolarHBondContact O-N 2.69Å; A451-N454 PolarHBondContact O-N 3.29Å; A451-L455 HydrophobicContact CB-CD1 4.44Å; A451-L455 WeakPolarHBondContact O-CB 3.46Å; A451-L455 WeakPolarHBondContact O-CG 3.47Å; A451-L455 PolarHBondContact O-N 3.49Å |
| 452 | I | 96.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -64.9 | -40.7 | -177 | -168.2 | 66.2 | 0 | 0 | 0 | 112.9 | F413 L425 M426 V429 V448 A449 E450 N454 L455 I456 | F413-I452 HydrophobicContact CE2-CB 4.18Å; F413-I452 HydrophobicContact CE2-CD1 4.28Å; F413-I452 HydrophobicContact CZ-CD1 3.99Å; L425-I452 HydrophobicContact CD1-CG1 4.24Å; L425-I452 HydrophobicContact CD2-CB 4.26Å; L425-I452 HydrophobicContact CD2-CG1 4.3Å; L425-I452 HydrophobicContact CD2-CG2 4.48Å; L425-I452 HydrophobicContact CG-CB 4.29Å; L425-I452 HydrophobicContact CG-CD1 3.94Å; L425-I452 HydrophobicContact CG-CG1 3.78Å; M426-I452 HydrophobicContact CB-CD1 3.94Å; V429-I452 HydrophobicContact CB-CG1 4.25Å; V429-I452 HydrophobicContact CG2-CG1 3.73Å; V429-I452 HydrophobicContact CG2-CG2 4.41Å; V448-I452 PolarHBondContact O-N 3.18Å; A449-I452 WeakPolarHBondContact O-CG2 3.38Å; E450-I452 PolarHBondContact O-N 3.25Å; I452-N454 PolarHBondContact O-N 2.89Å; I452-L455 PolarHBondContact O-N 2.88Å; I452-I456 PolarHBondContact O-N 2.92Å |
| 453 | C | 94.1 | Very high | 92.8 | Very high | 13 Ų | 13 | 17.3 Ų | 17.3 | 9% | 0.088 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64.4 | -29.1 | 178.1 | -72.2 | 0 | 0 | 0 | 0 | 112.3 | A449 E450 A451 I456 | A449-C453 PolarHBondContact O-N 3.44Å; A449-C453 PolarHBondContact O-SG 3.02Å; A449-C453 VanDerWaalsContact O-SG 3.38Å; E450-C453 PolarHBondContact O-N 2.76Å; A451-C453 PolarHBondContact O-N 2.69Å; C453-I456 VanDerWaalsContact O-CG1 3.29Å; C453-I456 WeakPolarHBondContact O-CG1 3.4Å |
| 454 | N | 93.8 | Very high | 93.1 | Very high | 20 Ų | 20 | 15.1 Ų | 15.1 | 11% | 0.107 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -87.2 | -31.5 | 176.4 | -155.1 | 32.9 | 0 | 0 | 0 | 113.3 | P404 S406 Y410 E450 A451 I452 I456 F457 | P404-N454 PolarHBondContact O-ND2 3.39Å; S406-N454 WeakPolarHBondContact CB-ND2 3.38Å; Y410-N454 PolarHBondContact OH-ND2 3.46Å; E450-N454 PolarHBondContact O-N 2.8Å; E450-N454 VanDerWaalsContact O-N 3.08Å; A451-N454 PolarHBondContact O-N 3.29Å; I452-N454 PolarHBondContact O-N 2.89Å; N454-I456 VanDerWaalsContact C-N 3.25Å; N454-I456 PolarHBondContact O-N 3.33Å; N454-F457 WeakPolarHBondContact O-CB 3.48Å; N454-F457 PolarHBondContact O-N 3.4Å |
| 455 | L | 96.3 | Very high | 93.1 | Very high | 6 Ų | 6 | 16.1 Ų | 16.1 | 3% | 0.031 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -71.5 | -15.7 | -177.7 | -71.9 | 172.1 | 0 | 0 | 0 | 113.8 | Y410 F413 A451 I452 F457 Q582 F585 | Y410-L455 HydrophobicContact CD1-CD1 4.08Å; Y410-L455 HydrophobicContact CD1-CD2 3.73Å; Y410-L455 HydrophobicContact CD1-CG 3.93Å; Y410-L455 HydrophobicContact CE1-CD1 4.49Å; Y410-L455 HydrophobicContact CE1-CD2 3.8Å; Y410-L455 HydrophobicContact CE1-CG 3.9Å; F413-L455 HydrophobicContact CD1-CD1 3.8Å; F413-L455 HydrophobicContact CE1-CD1 3.5Å; F413-L455 VanDerWaalsContact CE1-CD1 3.5Å; F413-L455 HydrophobicContact CZ-CD1 4.01Å; A451-L455 HydrophobicContact CB-CD1 4.44Å; A451-L455 WeakPolarHBondContact O-CB 3.46Å; A451-L455 WeakPolarHBondContact O-CG 3.47Å; A451-L455 PolarHBondContact O-N 3.49Å; I452-L455 PolarHBondContact O-N 2.88Å; L455-F457 PolarHBondContact O-N 3.04Å; L455-Q582 HydrophobicContact CD2-CG 4.26Å; L455-F585 HydrophobicContact CB-CB 4.21Å; L455-F585 HydrophobicContact CB-CD1 4.09Å; L455-F585 HydrophobicContact CB-CG 4.03Å; L455-F585 HydrophobicContact CD1-CD1 4.43Å; L455-F585 HydrophobicContact CD1-CD2 3.86Å; L455-F585 HydrophobicContact CD1-CE1 4.38Å; L455-F585 HydrophobicContact CD1-CE2 3.79Å; L455-F585 HydrophobicContact CD1-CG 4.19Å; L455-F585 HydrophobicContact CD1-CZ 4.08Å; L455-F585 HydrophobicContact CD2-CB 3.81Å; L455-F585 HydrophobicContact CD2-CD2 3.65Å; L455-F585 HydrophobicContact CD2-CE2 4.4Å; L455-F585 HydrophobicContact CD2-CG 3.8Å; L455-F585 HydrophobicContact CG-CD2 4.2Å; L455-F585 HydrophobicContact CG-CG 4.21Å |
| 456 | I | 96.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 6.5 | 172.7 | 61 | 161.5 | 0 | 0 | 0 | 113.7 | M426 V429 L430 I452 C453 N454 F459 M589 L643 | M426-I456 HydrophobicContact CG-CG2 4.23Å; V429-I456 HydrophobicContact CG1-CD1 3.82Å; V429-I456 HydrophobicContact CG1-CG2 4.06Å; L430-I456 HydrophobicContact CD2-CB 4.18Å; L430-I456 HydrophobicContact CD2-CG2 3.99Å; L430-I456 HydrophobicContact CG-CG2 4.19Å; I452-I456 PolarHBondContact O-N 2.92Å; C453-I456 VanDerWaalsContact O-CG1 3.29Å; C453-I456 WeakPolarHBondContact O-CG1 3.4Å; N454-I456 VanDerWaalsContact C-N 3.25Å; N454-I456 PolarHBondContact O-N 3.33Å; I456-F459 HydrophobicContact CD1-CB 4.06Å; I456-F459 HydrophobicContact CG1-CB 4.4Å; I456-F459 WeakPolarHBondContact O-CB 3.48Å; I456-F459 PolarHBondContact O-N 2.85Å; I456-M589 WeakPolarHBondContact O-CE 3.32Å; I456-L643 HydrophobicContact CD1-CD1 4.39Å; I456-L643 HydrophobicContact CD1-CD2 4.33Å |
| 457 | F | 95.9 | Very high | 93.1 | Very high | 12 Ų | 12 | 17.3 Ų | 17.3 | 5% | 0.053 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | 126.9 | 174.5 | 174.4 | -93.6 | 0 | 0 | 0 | 110.7 | L403 P404 N454 L455 L586 M589 Y662 F665 F666 | L403-F457 HydrophobicContact CD2-CD1 3.53Å; L403-F457 HydrophobicContact CD2-CD2 4.42Å; L403-F457 HydrophobicContact CD2-CE1 3.6Å; L403-F457 HydrophobicContact CD2-CG 3.94Å; L403-F457 HydrophobicContact CD2-CZ 4.13Å; P404-F457 HydrophobicContact CG-CD2 4.04Å; P404-F457 HydrophobicContact CG-CE2 4.34Å; N454-F457 WeakPolarHBondContact O-CB 3.48Å; N454-F457 PolarHBondContact O-N 3.4Å; L455-F457 PolarHBondContact O-N 3.04Å; F457-L586 HydrophobicContact CD1-CD1 3.57Å; F457-L586 HydrophobicContact CE1-CD1 3.76Å; F457-M589 WeakPolarHBondContact O-CB 3.25Å; F457-M589 VanDerWaalsContact O-CG 3.26Å; F457-M589 WeakPolarHBondContact O-CG 3.23Å; F457-Y662 WeakPolarHBondContact CZ-O 3.39Å; F457-F665 HydrophobicContact CE1-CD1 4.1Å; F457-F665 HydrophobicContact CE1-CE1 4.25Å; F457-F665 HydrophobicContact CZ-CD1 4.11Å; F457-F666 HydrophobicContact CD1-CD2 4.13Å; F457-F666 HydrophobicContact CE1-CB 3.84Å; F457-F666 AromaticContact CE1-CD2 3.71Å; F457-F666 HydrophobicContact CE1-CD2 3.71Å; F457-F666 HydrophobicContact CE1-CG 4.19Å; F457-F666 HydrophobicContact CZ-CB 3.81Å; F457-F666 HydrophobicContact CZ-CD2 4.46Å |
| 458 | P | 94.9 | Very high | 93.1 | Very high | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.013 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -93.7 | 0.1 | 25.7 | 40.3 | -39.7 | 0 | 0 | 0 | 115 | F647 L663 F666 | P458-F647 HydrophobicContact CB-CD2 3.93Å; P458-F647 HydrophobicContact CB-CE2 3.58Å; P458-F647 HydrophobicContact CG-CD2 3.8Å; P458-F647 HydrophobicContact CG-CE2 3.34Å; P458-F647 HydrophobicContact CG-CZ 3.95Å; P458-L663 HydrophobicContact CB-CD2 3.8Å; P458-F666 HydrophobicContact CB-CB 4.2Å; P458-F666 HydrophobicContact CB-CD1 3.92Å; P458-F666 HydrophobicContact CB-CD2 4Å; P458-F666 HydrophobicContact CB-CE1 4.3Å; P458-F666 HydrophobicContact CB-CE2 4.39Å; P458-F666 HydrophobicContact CB-CG 3.75Å; P458-F666 HydrophobicContact CB-CZ 4.5Å; P458-F666 VanDerWaalsContact CD-CE2 3.47Å; P458-F666 HydrophobicContact CG-CD1 3.7Å; P458-F666 HydrophobicContact CG-CD2 4.01Å; P458-F666 HydrophobicContact CG-CE1 3.56Å; P458-F666 HydrophobicContact CG-CE2 3.9Å; P458-F666 HydrophobicContact CG-CG 3.91Å; P458-F666 HydrophobicContact CG-CZ 3.65Å |
| 459 | F | 95.3 | Very high | 92.9 | Very high | 4 Ų | 4 | 17.4 Ų | 17.4 | 2% | 0.018 | 9% | 0.086 | C | C | . | . | trans | -70.8 | 149.3 | 174.8 | -58.3 | -54.9 | 0 | 0 | 0 | 110.3 | L430 I456 M589 M593 L638 L643 F644 F647 | L430-F459 HydrophobicContact CD2-CD2 3.6Å; L430-F459 HydrophobicContact CD2-CE2 3.93Å; I456-F459 HydrophobicContact CD1-CB 4.06Å; I456-F459 HydrophobicContact CG1-CB 4.4Å; I456-F459 WeakPolarHBondContact O-CB 3.48Å; I456-F459 PolarHBondContact O-N 2.85Å; F459-M589 HydrophobicContact CD2-CE 3.41Å; F459-M589 VanDerWaalsContact CD2-CE 3.41Å; F459-M589 HydrophobicContact CE2-CE 3.47Å; F459-M589 VanDerWaalsContact CE2-CE 3.47Å; F459-M593 HydrophobicContact CE1-CE 4.37Å; F459-M593 HydrophobicContact CE2-SD 4.32Å; F459-M593 HydrophobicContact CZ-CE 4Å; F459-M593 HydrophobicContact CZ-CG 4.39Å; F459-M593 HydrophobicContact CZ-SD 3.67Å; F459-L638 HydrophobicContact CE2-CD1 4.23Å; F459-L638 HydrophobicContact CZ-CD1 4.43Å; F459-L643 HydrophobicContact CB-CB 4.34Å; F459-L643 HydrophobicContact CB-CD2 4.44Å; F459-L643 HydrophobicContact CD1-CB 4.34Å; F459-L643 WeakPolarHBondContact CD1-O 3.49Å; F459-L643 HydrophobicContact CG-CB 4.36Å; F459-F644 HydrophobicContact CE1-CB 4.43Å; F459-F644 HydrophobicContact CE1-CD2 4.11Å; F459-F644 HydrophobicContact CZ-CD2 4.04Å; F459-F647 HydrophobicContact CD1-CB 3.57Å; F459-F647 HydrophobicContact CD1-CD1 4.48Å; F459-F647 HydrophobicContact CD1-CD2 4.44Å; F459-F647 AromaticContact CD1-CG 3.93Å; F459-F647 HydrophobicContact CD1-CG 3.93Å; F459-F647 HydrophobicContact CE1-CB 3.69Å; F459-F647 AromaticContact CE1-CD1 3.84Å; F459-F647 HydrophobicContact CE1-CD1 3.84Å; F459-F647 HydrophobicContact CE1-CD2 4.49Å; F459-F647 AromaticContact CE1-CG 3.75Å; F459-F647 HydrophobicContact CE1-CG 3.75Å | ||
| 460 | R | 89.5 | Confident | 92.5 | Very high | 71 Ų | 71 | 17.5 Ų | 17.5 | 27% | 0.268 | 9% | 0.086 | S | C | . | . | trans | -121.8 | 132.7 | 172.1 | -70.7 | 178 | 179.1 | 159.2 | -13 | 108.8 | Q462 L643 E650 T659 | R460-Q462 WeakPolarHBondContact O-CG 3.25Å; R460-Q462 PolarHBondContact O-N 2.94Å; R460-Q462 PolarHBondContact O-NE2 2.89Å; R460-L643 WeakPolarHBondContact O-CD2 3.35Å; R460-E650 IonicContact CZ-OE2 3.58Å; R460-E650 IonicContact NH1-OE1 3.98Å; R460-E650 IonicContact NH1-OE2 3.85Å; R460-E650 PolarHBondContact NH1-OE2 3.48Å; R460-T659 VanDerWaalsContact CZ-OG1 3.29Å; R460-T659 PolarHBondContact NH1-OG1 3.22Å; R460-T659 PolarHBondContact NH2-OG1 3.08Å | ||
| 461 | W | 92 | Very high | 91.8 | Very high | 32 Ų | 32 | 18.7 Ų | 18.7 | 12% | 0.121 | 9% | 0.092 | C | C | . | . | trans | -55.7 | 126.1 | 176.4 | -172.4 | -107.7 | 0 | 0 | 0 | 111.7 | V429 E432 C463 P464 P482 V484 L643 | V429-W461 HydrophobicContact CB-CZ3 4.45Å; V429-W461 HydrophobicContact CG1-CE3 3.66Å; V429-W461 HydrophobicContact CG1-CZ3 3.79Å; E432-W461 HydrophobicContact CG-CZ3 4.5Å; W461-C463 HydrophobicContact CH2-CB 4.41Å; W461-C463 HydrophobicContact CZ2-CB 3.63Å; W461-C463 PolarHBondContact NE1-O 3.19Å; W461-P464 PolarHBondContact NE1-O 2.9Å; W461-P482 HydrophobicContact CH2-CB 4.17Å; W461-P482 HydrophobicContact CZ2-CB 4.42Å; W461-V484 HydrophobicContact CD2-CG2 4.15Å; W461-V484 HydrophobicContact CE3-CG2 4.44Å; W461-V484 HydrophobicContact CH2-CG2 4.01Å; W461-V484 HydrophobicContact CZ2-CB 4.41Å; W461-V484 HydrophobicContact CZ2-CG2 3.68Å; W461-V484 HydrophobicContact CZ3-CG2 4.38Å; W461-L643 HydrophobicContact CE3-CD2 4.24Å | ||
| 462 | Q | 87.3 | Confident | 91 | Very high | 71 Ų | 71 | 20.9 Ų | 20.9 | 33% | 0.332 | 10% | 0.104 | S | C | . | . | trans | -106 | -10.2 | -174.3 | -63.5 | -54.8 | -58 | 0 | 0 | 114 | R460 Q642 L643 R646 | R460-Q462 WeakPolarHBondContact O-CG 3.25Å; R460-Q462 PolarHBondContact O-N 2.94Å; R460-Q462 PolarHBondContact O-NE2 2.89Å; Q462-Q642 HydrophobicContact CB-CB 4.37Å; Q462-L643 HydrophobicContact CG-CD2 4.35Å; Q462-R646 HydrophobicContact CG-CB 4.08Å; Q462-R646 HydrophobicContact CG-CG 4.3Å | ||
| 463 | C | 90 | Very high | 90.3 | Very high | 17 Ų | 17 | 23.3 Ų | 23.3 | 12% | 0.115 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -103.6 | 176.7 | -175.3 | -47.7 | 0 | 0 | 0 | 0 | 110.6 | W461 Y465 P482 | W461-C463 HydrophobicContact CH2-CB 4.41Å; W461-C463 HydrophobicContact CZ2-CB 3.63Å; W461-C463 PolarHBondContact NE1-O 3.19Å; C463-Y465 PolarHBondContact O-N 2.82Å; C463-P482 HydrophobicContact CB-CB 4.24Å; C463-P482 WeakPolarHBondContact CB-O 3.46Å |
| 464 | P | 90 | Very high | 89.5 | Confident | 52 Ų | 52 | 22.8 Ų | 22.8 | 34% | 0.338 | 11% | 0.114 | S | C | . | . | trans | -50.9 | 134.7 | 176.8 | -30 | 36.6 | 0 | 0 | 0 | 112.9 | W461 L481 P482 F483 V484 | W461-P464 PolarHBondContact NE1-O 2.9Å; P464-L481 HydrophobicContact CG-CD1 3.38Å; P464-P482 WeakPolarHBondContact CD-O 3.37Å; P464-F483 HydrophobicContact CB-CB 4.16Å; P464-F483 WeakPolarHBondContact O-CA 3.46Å; P464-V484 PolarHBondContact O-N 3.28Å | ||
| 465 | Y | 91 | Very high | 88.7 | Confident | 25 Ų | 25 | 23.2 Ų | 23.2 | 10% | 0.098 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 113 | -179.6 | 171.6 | -111.7 | 0 | 0 | 0 | 108.5 | V265 A449 E450 C463 P467 V484 | V265-Y465 HydrophobicContact CB-CE1 4.09Å; V265-Y465 HydrophobicContact CG1-CE1 4.21Å; A449-Y465 HydrophobicContact CB-CE2 3.93Å; E450-Y465 WeakPolarHBondContact CA-OH 3.43Å; E450-Y465 VanDerWaalsContact CD-OH 3.24Å; E450-Y465 VanDerWaalsContact CG-OH 3.25Å; E450-Y465 WeakPolarHBondContact CG-OH 3.41Å; E450-Y465 PolarHBondContact N-OH 3.07Å; E450-Y465 WeakPolarHBondContact OE1-CE1 3.45Å; E450-Y465 PolarHBondContact OE1-OH 3.08Å; C463-Y465 PolarHBondContact O-N 2.82Å; Y465-P467 HydrophobicContact CE1-CB 4.45Å; Y465-P467 HydrophobicContact CE1-CG 3.87Å; Y465-P467 HydrophobicContact CE2-CB 4.2Å; Y465-P467 HydrophobicContact CE2-CG 4.44Å; Y465-V484 WeakPolarHBondContact CA-O 3.2Å; Y465-V484 HydrophobicContact CD2-CB 4.24Å; Y465-V484 HydrophobicContact CD2-CG1 4.19Å; Y465-V484 HydrophobicContact CE2-CG1 4.38Å |
| 466 | I | 91.3 | Very high | 88 | Confident | 25 Ų | 25 | 25.1 Ų | 25.1 | 13% | 0.128 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 83.1 | -179.1 | -46.8 | -179.7 | 0 | 0 | 0 | 108.1 | F239 Q468 C469 V476 V484 A485 G486 | F239-I466 HydrophobicContact CE1-CG2 3.96Å; I466-Q468 PolarHBondContact O-N 3.26Å; I466-Q468 VanDerWaalsContact O-N 3.09Å; I466-C469 HydrophobicContact CB-CB 4.29Å; I466-C469 VanDerWaalsContact CG2-CA 3.47Å; I466-C469 HydrophobicContact CG2-CB 3.74Å; I466-V476 HydrophobicContact CD1-CB 4.34Å; I466-V476 HydrophobicContact CD1-CG1 3.92Å; I466-V476 HydrophobicContact CD1-CG2 4.24Å; I466-V484 PolarHBondContact N-O 3.46Å; I466-A485 CarbonylContact O-C 3.5Å; I466-A485 VanDerWaalsContact O-CA 3.23Å; I466-A485 WeakPolarHBondContact O-CA 3.33Å; I466-G486 PolarHBondContact O-N 3.11Å |
| 467 | P | 91.4 | Very high | 87.4 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -61.3 | -26.3 | -171.5 | 22.8 | -32.3 | 0 | 0 | 0 | 113 | V265 L445 T446 A449 Y465 G486 | V265-P467 HydrophobicContact CB-CG 3.82Å; V265-P467 HydrophobicContact CG2-CG 3.99Å; L445-P467 VanDerWaalsContact CB-O 3.25Å; L445-P467 WeakPolarHBondContact CB-O 3.29Å; T446-P467 HydrophobicContact CG2-CB 4.27Å; A449-P467 HydrophobicContact CB-CB 3.75Å; Y465-P467 HydrophobicContact CE1-CB 4.45Å; Y465-P467 HydrophobicContact CE1-CG 3.87Å; Y465-P467 HydrophobicContact CE2-CB 4.2Å; Y465-P467 HydrophobicContact CE2-CG 4.44Å; P467-G486 VanDerWaalsContact O-CA 3.29Å; P467-G486 WeakPolarHBondContact O-CA 3.41Å |
| 468 | Q | 90.7 | Very high | 86.9 | Confident | 7 Ų | 7 | 27.8 Ų | 27.8 | 3% | 0.033 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -137.6 | 95.3 | 170.2 | -175.4 | 172 | 19.8 | 0 | 0 | 108.3 | F239 P242 T263 L445 I466 P470 | F239-Q468 WeakPolarHBondContact CD1-O 3.23Å; P242-Q468 HydrophobicContact CB-CG 4.44Å; P242-Q468 HydrophobicContact CG-CG 4.38Å; T263-Q468 PolarHBondContact O-OE1 3.13Å; L445-Q468 HydrophobicContact CD1-CG 4.34Å; I466-Q468 PolarHBondContact O-N 3.26Å; I466-Q468 VanDerWaalsContact O-N 3.09Å; Q468-P470 WeakPolarHBondContact O-CD 3.39Å |
| 469 | C | 89.9 | Confident | 86.4 | Confident | 7 Ų | 7 | 28.7 Ų | 28.7 | 5% | 0.047 | 16% | 0.155 | C | C | . | . | trans | -78.7 | 117.6 | -179.2 | -168.3 | 0 | 0 | 0 | 0 | 110 | I466 G486 V487 | I466-C469 HydrophobicContact CB-CB 4.29Å; I466-C469 VanDerWaalsContact CG2-CA 3.47Å; I466-C469 HydrophobicContact CG2-CB 3.74Å; C469-G486 VanDerWaalsContact CB-O 3.26Å; C469-G486 WeakPolarHBondContact CB-O 3.44Å; C469-G486 PolarHBondContact N-O 3.35Å; C469-V487 HydrophobicContact CB-CG1 4Å | ||
| 470 | P | 87.5 | Confident | 86 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.013 | 19% | 0.191 | C | C | . | . | trans | -62.5 | 151.6 | 170.5 | -21.5 | 35.3 | 0 | 0 | 0 | 111.1 | I238 F239 P242 Q468 D472 L473 A474 | I238-P470 HydrophobicContact CB-CB 4.17Å; I238-P470 HydrophobicContact CB-CG 4.23Å; I238-P470 HydrophobicContact CD1-CB 4.15Å; I238-P470 HydrophobicContact CD1-CG 3.94Å; I238-P470 HydrophobicContact CG1-CB 4.38Å; I238-P470 HydrophobicContact CG1-CG 4.03Å; I238-P470 WeakPolarHBondContact O-CB 3.47Å; I238-P470 VanDerWaalsContact O-CG 3.26Å; I238-P470 WeakPolarHBondContact O-CG 3.38Å; F239-P470 HydrophobicContact CD1-CG 3.71Å; F239-P470 HydrophobicContact CD2-CG 4.42Å; F239-P470 HydrophobicContact CE1-CG 3.83Å; F239-P470 HydrophobicContact CG-CG 4.03Å; F239-P470 HydrophobicContact CZ-CG 4.23Å; P242-P470 HydrophobicContact CB-CB 4.34Å; Q468-P470 WeakPolarHBondContact O-CD 3.39Å; P470-D472 PolarHBondContact O-N 3.27Å; P470-L473 HydrophobicContact CG-CD1 4.42Å; P470-L473 PolarHBondContact O-N 3.21Å; P470-A474 PolarHBondContact O-N 3.1Å | ||
| 471 | L | 78 | Confident | 86.1 | Confident | 25 Ų | 25 | 34.4 Ų | 34.4 | 13% | 0.131 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -59.2 | -33.2 | 176.2 | -69.6 | -176.1 | 0 | 0 | 0 | 112.8 | P242 M243 L473 A474 Y491 L494 Y495 | P242-L471 PolarHBondContact O-N 3.33Å; M243-L471 HydrophobicContact CE-CD1 3.65Å; M243-L471 HydrophobicContact CE-CG 4.37Å; M243-L471 HydrophobicContact SD-CD1 3.76Å; M243-L471 HydrophobicContact SD-CD2 4.34Å; M243-L471 HydrophobicContact SD-CG 3.88Å; L471-L473 PolarHBondContact O-N 3.08Å; L471-L473 VanDerWaalsContact O-N 3.13Å; L471-A474 VanDerWaalsContact O-CB 3.27Å; L471-A474 WeakPolarHBondContact O-CB 3.38Å; L471-A474 PolarHBondContact O-N 3.04Å; L471-A474 VanDerWaalsContact O-N 3.08Å; L471-Y491 HydrophobicContact CD2-CD2 4.07Å; L471-L494 HydrophobicContact CD1-CD1 4.33Å; L471-Y495 HydrophobicContact CD1-CE2 4.3Å; L471-Y495 HydrophobicContact CD2-CD2 4.4Å; L471-Y495 HydrophobicContact CD2-CE2 3.68Å; L471-Y495 HydrophobicContact CG-CE2 4.49Å |
| 472 | D | 78.5 | Confident | 86.2 | Confident | 46 Ų | 46 | 34.2 Ų | 34.2 | 25% | 0.246 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -60.8 | -20.3 | 175.7 | -156.2 | 33.7 | 0 | 0 | 0 | 112.3 | L34 K215 P470 | L34-D472 HydrophobicContact CD2-CB 4.06Å; K215-D472 IonicContact NZ-OD2 3.1Å; K215-D472 PolarHBondContact NZ-OD2 3.34Å; P470-D472 PolarHBondContact O-N 3.27Å |
| 473 | L | 81.4 | Confident | 86.6 | Confident | 51 Ų | 51 | 30.9 Ų | 30.9 | 27% | 0.267 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -109 | 11.3 | 178.7 | -61.1 | -176.5 | 0 | 0 | 0 | 113.4 | I238 F239 P470 L471 G475 V476 | I238-L473 HydrophobicContact CD1-CD1 3.79Å; I238-L473 HydrophobicContact CD1-CD2 4.34Å; I238-L473 HydrophobicContact CD1-CG 3.82Å; F239-L473 HydrophobicContact CE2-CD1 4.37Å; F239-L473 HydrophobicContact CZ-CD1 3.8Å; P470-L473 HydrophobicContact CG-CD1 4.42Å; P470-L473 PolarHBondContact O-N 3.21Å; L471-L473 PolarHBondContact O-N 3.08Å; L471-L473 VanDerWaalsContact O-N 3.13Å; L473-G475 PolarHBondContact O-N 3.37Å; L473-G475 VanDerWaalsContact O-N 3.08Å; L473-V476 WeakPolarHBondContact O-CB 3.49Å; L473-V476 WeakPolarHBondContact O-CG2 3.44Å; L473-V476 PolarHBondContact O-N 3.42Å |
| 474 | A | 78.9 | Confident | 86.8 | Confident | 3 Ų | 3 | 30.1 Ų | 30.1 | 3% | 0.025 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -59.6 | -24.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | P470 L471 V476 L477 Y491 | P470-A474 PolarHBondContact O-N 3.1Å; L471-A474 VanDerWaalsContact O-CB 3.27Å; L471-A474 WeakPolarHBondContact O-CB 3.38Å; L471-A474 PolarHBondContact O-N 3.04Å; L471-A474 VanDerWaalsContact O-N 3.08Å; A474-V476 PolarHBondContact O-N 2.87Å; A474-V476 VanDerWaalsContact O-N 3.13Å; A474-L477 VanDerWaalsContact O-CB 3.32Å; A474-L477 WeakPolarHBondContact O-CB 3.32Å; A474-L477 VanDerWaalsContact O-CG 3.3Å; A474-L477 WeakPolarHBondContact O-CG 3.35Å; A474-L477 PolarHBondContact O-N 3.34Å; A474-Y491 HydrophobicContact CB-CE2 3.96Å |
| 475 | G | 77.2 | Confident | 87 | Confident | 29 Ų | 29 | 27.7 Ų | 27.7 | 30% | 0.299 | 16% | 0.163 | S | C | . | . | G | 310 helix | trans | -57.1 | -25.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L473 L477 H478 | L473-G475 PolarHBondContact O-N 3.37Å; L473-G475 VanDerWaalsContact O-N 3.08Å; G475-L477 PolarHBondContact O-N 3.42Å; G475-L477 VanDerWaalsContact O-N 3.09Å; G475-H478 PolarHBondContact O-N 3.42Å |
| 476 | V | 81.6 | Confident | 87.2 | Confident | 46 Ų | 46 | 26.5 Ų | 26.5 | 28% | 0.279 | 16% | 0.159 | S | C | . | . | G | 310 helix | trans | -57.6 | -27.1 | 175.2 | 176.3 | 0 | 0 | 0 | 0 | 112.1 | I466 L473 A474 H478 A479 | I466-V476 HydrophobicContact CD1-CB 4.34Å; I466-V476 HydrophobicContact CD1-CG1 3.92Å; I466-V476 HydrophobicContact CD1-CG2 4.24Å; L473-V476 WeakPolarHBondContact O-CB 3.49Å; L473-V476 WeakPolarHBondContact O-CG2 3.44Å; L473-V476 PolarHBondContact O-N 3.42Å; A474-V476 PolarHBondContact O-N 2.87Å; A474-V476 VanDerWaalsContact O-N 3.13Å; V476-H478 PolarHBondContact O-N 3.12Å; V476-A479 WeakPolarHBondContact O-CB 3.48Å; V476-A479 PolarHBondContact O-N 3.33Å |
| 477 | L | 83.8 | Confident | 87.1 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -66.5 | -18.8 | 179.3 | -58.2 | 179.4 | 0 | 0 | 0 | 113.4 | L436 A474 G475 F483 A485 V487 Y491 | L436-L477 HydrophobicContact CD1-CD1 4.37Å; L436-L477 HydrophobicContact CD1-CD2 3.63Å; L436-L477 HydrophobicContact CD2-CD1 4.16Å; L436-L477 HydrophobicContact CD2-CD2 4.43Å; A474-L477 VanDerWaalsContact O-CB 3.32Å; A474-L477 WeakPolarHBondContact O-CB 3.32Å; A474-L477 VanDerWaalsContact O-CG 3.3Å; A474-L477 WeakPolarHBondContact O-CG 3.35Å; A474-L477 PolarHBondContact O-N 3.34Å; G475-L477 PolarHBondContact O-N 3.42Å; G475-L477 VanDerWaalsContact O-N 3.09Å; L477-F483 HydrophobicContact CB-CZ 4.42Å; L477-F483 HydrophobicContact CD2-CE2 3.79Å; L477-F483 HydrophobicContact CD2-CZ 4.03Å; L477-F483 WeakPolarHBondContact O-CE1 3.47Å; L477-A485 HydrophobicContact CD2-CB 3.92Å; L477-V487 HydrophobicContact CD1-CG1 4.28Å; L477-Y491 HydrophobicContact CD1-CE1 4.07Å; L477-Y491 HydrophobicContact CD1-CE2 4.05Å |
| 478 | H | 83.8 | Confident | 86.9 | Confident | 67 Ų | 67 | 26.9 Ų | 26.9 | 31% | 0.31 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -92.9 | -1.6 | 176.3 | -65.2 | -93.2 | 0 | 0 | 0 | 113.1 | C41 G475 V476 | C41-H478 PolarHBondContact SG-CD2 3.14Å; C41-H478 PolarHBondContact SG-NE2 3.35Å; C41-H478 VanDerWaalsContact SG-NE2 3.37Å; G475-H478 PolarHBondContact O-N 3.42Å; V476-H478 PolarHBondContact O-N 3.12Å |
| 479 | A | 84.9 | Confident | 86.8 | Confident | 21 Ų | 21 | 27.1 Ų | 27.1 | 17% | 0.174 | 16% | 0.164 | C | C | . | . | trans | -58.1 | 140.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | K434 V476 L481 | K434-A479 WeakPolarHBondContact CE-O 3.28Å; K434-A479 PolarHBondContact NZ-O 2.92Å; V476-A479 WeakPolarHBondContact O-CB 3.48Å; V476-A479 PolarHBondContact O-N 3.33Å; A479-L481 HydrophobicContact CB-CD2 4.29Å; A479-L481 HydrophobicContact CB-CG 4.06Å; A479-L481 PolarHBondContact O-N 3.49Å | ||
| 480 | P | 88 | Confident | 86.1 | Confident | 120 Ų | 120 | 27.1 Ų | 27.1 | 78% | 0.779 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -75.5 | 6.5 | -177.3 | 32.1 | -37 | 0 | 0 | 0 | 113.7 | ||
| 481 | L | 91.4 | Very high | 85.8 | Confident | 75 Ų | 75 | 27.1 Ų | 27.1 | 39% | 0.393 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -116.1 | 158.7 | -175 | 54.3 | 112.1 | 0 | 0 | 0 | 111.3 | K434 P464 A479 F483 | K434-L481 WeakPolarHBondContact CE-O 3.4Å; P464-L481 HydrophobicContact CG-CD1 3.38Å; A479-L481 HydrophobicContact CB-CD2 4.29Å; A479-L481 HydrophobicContact CB-CG 4.06Å; A479-L481 PolarHBondContact O-N 3.49Å; L481-F483 WeakPolarHBondContact O-CD1 3.32Å |
| 482 | P | 94.5 | Very high | 85.8 | Confident | 29 Ų | 29 | 26.2 Ų | 26.2 | 19% | 0.188 | 16% | 0.159 | C | C | . | . | trans | -60.5 | 150 | 177.6 | -21.8 | 34.3 | 0 | 0 | 0 | 111.8 | E432 W461 C463 P464 | E432-P482 HydrophobicContact CB-CB 4.17Å; E432-P482 HydrophobicContact CB-CG 3.98Å; E432-P482 VanDerWaalsContact O-CB 3.25Å; E432-P482 WeakPolarHBondContact O-CB 3.45Å; E432-P482 WeakPolarHBondContact O-CG 3.46Å; W461-P482 HydrophobicContact CH2-CB 4.17Å; W461-P482 HydrophobicContact CZ2-CB 4.42Å; C463-P482 HydrophobicContact CB-CB 4.24Å; C463-P482 WeakPolarHBondContact CB-O 3.46Å; P464-P482 WeakPolarHBondContact CD-O 3.37Å | ||
| 483 | F | 94.4 | Very high | 85.5 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 0% | 0.004 | 16% | 0.16 | C | C | . | . | trans | -154.7 | 156.1 | 174.6 | 58.1 | -102.5 | 0 | 0 | 0 | 110.6 | K434 V435 P464 L477 L481 A485 V502 | K434-F483 HydrophobicContact CB-CD1 4.36Å; K434-F483 HydrophobicContact CB-CE1 3.98Å; K434-F483 HydrophobicContact CB-CE2 4.47Å; K434-F483 HydrophobicContact CB-CZ 4.04Å; K434-F483 HydrophobicContact CD-CD1 4.4Å; K434-F483 HydrophobicContact CD-CE1 3.81Å; K434-F483 HydrophobicContact CD-CZ 4.43Å; K434-F483 HydrophobicContact CG-CD1 4.05Å; K434-F483 HydrophobicContact CG-CE1 3.84Å; K434-F483 HydrophobicContact CG-CZ 4.4Å; V435-F483 PolarHBondContact N-O 3.09Å; P464-F483 HydrophobicContact CB-CB 4.16Å; P464-F483 WeakPolarHBondContact O-CA 3.46Å; L477-F483 HydrophobicContact CB-CZ 4.42Å; L477-F483 HydrophobicContact CD2-CE2 3.79Å; L477-F483 HydrophobicContact CD2-CZ 4.03Å; L477-F483 WeakPolarHBondContact O-CE1 3.47Å; L481-F483 WeakPolarHBondContact O-CD1 3.32Å; F483-A485 HydrophobicContact CD2-CB 3.8Å; F483-A485 HydrophobicContact CE2-CB 4.16Å; F483-V502 HydrophobicContact CE1-CG2 4.49Å; F483-V502 HydrophobicContact CE2-CG1 4.36Å; F483-V502 HydrophobicContact CZ-CG1 4.09Å; F483-V502 HydrophobicContact CZ-CG2 3.92Å | ||
| 484 | V | 95.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 110 | 163.3 | 173.7 | 0 | 0 | 0 | 0 | 106.8 | V429 V435 I437 A449 W461 P464 Y465 I466 | V429-V484 HydrophobicContact CG2-CG2 4.12Å; V435-V484 HydrophobicContact CB-CG2 4.41Å; I437-V484 HydrophobicContact CD1-CG1 4.25Å; A449-V484 HydrophobicContact CB-CG1 4.35Å; W461-V484 HydrophobicContact CD2-CG2 4.15Å; W461-V484 HydrophobicContact CE3-CG2 4.44Å; W461-V484 HydrophobicContact CH2-CG2 4.01Å; W461-V484 HydrophobicContact CZ2-CB 4.41Å; W461-V484 HydrophobicContact CZ2-CG2 3.68Å; W461-V484 HydrophobicContact CZ3-CG2 4.38Å; P464-V484 PolarHBondContact O-N 3.28Å; Y465-V484 WeakPolarHBondContact CA-O 3.2Å; Y465-V484 HydrophobicContact CD2-CB 4.24Å; Y465-V484 HydrophobicContact CD2-CG1 4.19Å; Y465-V484 HydrophobicContact CE2-CG1 4.38Å; I466-V484 PolarHBondContact N-O 3.46Å |
| 485 | A | 93.7 | Very high | 84.6 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 148.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | V435 L436 I437 I466 L477 F483 | V435-A485 PolarHBondContact O-N 3.2Å; L436-A485 CarbonylContact C-O 3.58Å; L436-A485 WeakPolarHBondContact CA-O 3.44Å; L436-A485 HydrophobicContact CD1-CB 4.09Å; I437-A485 PolarHBondContact N-O 2.96Å; I466-A485 CarbonylContact O-C 3.5Å; I466-A485 VanDerWaalsContact O-CA 3.23Å; I466-A485 WeakPolarHBondContact O-CA 3.33Å; L477-A485 HydrophobicContact CD2-CB 3.92Å; F483-A485 HydrophobicContact CD2-CB 3.8Å; F483-A485 HydrophobicContact CE2-CB 4.16Å |
| 486 | G | 94 | Very high | 84.3 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 138.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I437 I466 P467 C469 | I437-G486 CarbonylContact O-C 3.53Å; I437-G486 WeakPolarHBondContact O-CA 3.45Å; I466-G486 PolarHBondContact O-N 3.11Å; P467-G486 VanDerWaalsContact O-CA 3.29Å; P467-G486 WeakPolarHBondContact O-CA 3.41Å; C469-G486 VanDerWaalsContact CB-O 3.26Å; C469-G486 WeakPolarHBondContact CB-O 3.44Å; C469-G486 PolarHBondContact N-O 3.35Å |
| 487 | V | 91.1 | Very high | 84.1 | Confident | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.018 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 156.8 | 172.9 | -67.4 | 0 | 0 | 0 | 0 | 111.6 | L436 I437 H438 S439 C469 L477 Y491 F492 | L436-V487 HydrophobicContact CD1-CB 4.38Å; L436-V487 HydrophobicContact CD1-CG1 3.94Å; L436-V487 HydrophobicContact CD1-CG2 3.76Å; L436-V487 HydrophobicContact CD2-CG2 4.12Å; L436-V487 HydrophobicContact CG-CG2 4.07Å; I437-V487 PolarHBondContact O-N 2.85Å; H438-V487 WeakPolarHBondContact CA-O 3.47Å; H438-V487 HydrophobicContact CB-CG2 3.79Å; H438-V487 VanDerWaalsContact CB-O 3.27Å; H438-V487 WeakPolarHBondContact CB-O 3.35Å; S439-V487 PolarHBondContact N-O 2.8Å; C469-V487 HydrophobicContact CB-CG1 4Å; L477-V487 HydrophobicContact CD1-CG1 4.28Å; V487-Y491 HydrophobicContact CB-CG 4.46Å; V487-Y491 HydrophobicContact CG2-CD1 4.3Å; V487-Y491 HydrophobicContact CG2-CG 4.2Å; V487-F492 HydrophobicContact CG2-CE2 4.36Å |
| 488 | D | 87.3 | Confident | 83.9 | Confident | 32 Ų | 32 | 33.7 Ų | 33.7 | 17% | 0.171 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 140.6 | 166.9 | -171.1 | -84.8 | 0 | 0 | 0 | 109.8 | M243 S439 S490 Y491 | M243-D488 HydrophobicContact SD-CB 4.03Å; S439-D488 WeakPolarHBondContact O-CA 3.3Å; D488-S490 PolarHBondContact O-N 3.32Å; D488-S490 VanDerWaalsContact O-N 3.15Å; D488-S490 WeakPolarHBondContact OD1-CB 3.45Å; D488-S490 PolarHBondContact OD1-N 3.41Å; D488-S490 PolarHBondContact OD1-OG 3.06Å; D488-Y491 WeakPolarHBondContact O-CB 3.37Å; D488-Y491 PolarHBondContact O-N 3.08Å |
| 489 | S | 86.7 | Confident | 83.9 | Confident | 12 Ų | 12 | 32.2 Ų | 32.2 | 8% | 0.084 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -18.9 | -176.9 | -48 | 0 | 0 | 0 | 0 | 113.5 | H438 S439 L440 Y491 F492 | H438-S489 WeakPolarHBondContact ND1-CB 3.48Å; H438-S489 PolarHBondContact ND1-OG 2.92Å; S439-S489 VanDerWaalsContact CA-OG 3.28Å; S439-S489 WeakPolarHBondContact CA-OG 3.41Å; S439-S489 PolarHBondContact N-OG 2.91Å; S439-S489 PolarHBondContact O-N 3.32Å; L440-S489 PolarHBondContact N-OG 3.05Å; S489-Y491 PolarHBondContact O-N 3.19Å; S489-F492 PolarHBondContact O-N 3.14Å |
| 490 | S | 76.8 | Confident | 83.9 | Confident | 7 Ų | 7 | 40.6 Ų | 40.6 | 5% | 0.049 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -15.5 | 170.3 | 63.1 | 0 | 0 | 0 | 0 | 113.1 | M243 D488 F492 E493 L494 | M243-S490 WeakPolarHBondContact CE-OG 3.21Å; D488-S490 PolarHBondContact O-N 3.32Å; D488-S490 VanDerWaalsContact O-N 3.15Å; D488-S490 WeakPolarHBondContact OD1-CB 3.45Å; D488-S490 PolarHBondContact OD1-N 3.41Å; D488-S490 PolarHBondContact OD1-OG 3.06Å; S490-F492 PolarHBondContact O-N 3.32Å; S490-E493 WeakPolarHBondContact O-CB 3.39Å; S490-E493 PolarHBondContact O-N 2.95Å; S490-L494 WeakPolarHBondContact O-CG 3.47Å; S490-L494 PolarHBondContact O-N 3.15Å |
| 491 | Y | 79.5 | Confident | 84 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -50.6 | -45.3 | 169.6 | 174.3 | -96.3 | 0 | 0 | 0 | 112.1 | L471 A474 L477 V487 D488 S489 E493 L494 Y495 | L471-Y491 HydrophobicContact CD2-CD2 4.07Å; A474-Y491 HydrophobicContact CB-CE2 3.96Å; L477-Y491 HydrophobicContact CD1-CE1 4.07Å; L477-Y491 HydrophobicContact CD1-CE2 4.05Å; V487-Y491 HydrophobicContact CB-CG 4.46Å; V487-Y491 HydrophobicContact CG2-CD1 4.3Å; V487-Y491 HydrophobicContact CG2-CG 4.2Å; D488-Y491 WeakPolarHBondContact O-CB 3.37Å; D488-Y491 PolarHBondContact O-N 3.08Å; S489-Y491 PolarHBondContact O-N 3.19Å; Y491-E493 PolarHBondContact O-N 3.19Å; Y491-L494 PolarHBondContact O-N 3.48Å; Y491-Y495 AromaticContact CD2-CD2 3.47Å; Y491-Y495 HydrophobicContact CD2-CD2 3.47Å; Y491-Y495 VanDerWaalsContact CD2-CD2 3.47Å; Y491-Y495 HydrophobicContact CD2-CE2 4.17Å; Y491-Y495 HydrophobicContact CD2-CG 4.15Å; Y491-Y495 AromaticContact CE2-CD2 3.58Å; Y491-Y495 HydrophobicContact CE2-CD2 3.58Å; Y491-Y495 HydrophobicContact CE2-CE2 4.39Å; Y491-Y495 AromaticContact CE2-CG 3.8Å; Y491-Y495 HydrophobicContact CE2-CG 3.8Å; Y491-Y495 HydrophobicContact CG-CD2 4.3Å; Y491-Y495 PolarHBondContact O-N 3.09Å |
| 492 | F | 79.7 | Confident | 84.1 | Confident | 7 Ų | 7 | 34.2 Ų | 34.2 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70.8 | -10.6 | -179 | -62.9 | -87.8 | 0 | 0 | 0 | 113.4 | R44 L436 H438 V487 S489 S490 P498 C504 | R44-F492 PolarHBondContact NH1-O 2.71Å; L436-F492 HydrophobicContact CD2-CZ 4.02Å; H438-F492 HydrophobicContact CB-CE2 3.89Å; H438-F492 AromaticContact CD2-CE2 3.61Å; H438-F492 AromaticContact CD2-CZ 3.94Å; H438-F492 AromaticContact CG-CE2 3.46Å; H438-F492 VanDerWaalsContact CG-CE2 3.46Å; H438-F492 AromaticContact ND1-CE2 3.75Å; H438-F492 AromaticContact NE2-CE2 3.97Å; V487-F492 HydrophobicContact CG2-CE2 4.36Å; S489-F492 PolarHBondContact O-N 3.14Å; S490-F492 PolarHBondContact O-N 3.32Å; F492-P498 HydrophobicContact CE1-CG 3.88Å; F492-C504 HydrophobicContact CZ-CB 4.18Å |
| 493 | E | 71.9 | Confident | 84.1 | Confident | 59 Ų | 59 | 32.8 Ų | 32.8 | 28% | 0.276 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -90 | -35.6 | 174.5 | -66 | 167.3 | -166.1 | 0 | 0 | 111.1 | S205 S490 Y491 | S205-E493 VanDerWaalsContact CA-OE1 3.25Å; S205-E493 WeakPolarHBondContact CA-OE1 3.35Å; S205-E493 WeakPolarHBondContact CB-OE1 3.43Å; S490-E493 WeakPolarHBondContact O-CB 3.39Å; S490-E493 PolarHBondContact O-N 2.95Å; Y491-E493 PolarHBondContact O-N 3.19Å |
| 494 | L | 69.2 | Low | 84.1 | Confident | 32 Ų | 32 | 33 Ų | 33 | 17% | 0.168 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -88.2 | -35.6 | -174.8 | -60.8 | 170 | 0 | 0 | 0 | 113 | R44 M243 L471 S490 Y491 | R44-L494 PolarHBondContact N-O 2.97Å; R44-L494 VanDerWaalsContact N-O 3.14Å; M243-L494 HydrophobicContact CE-CD1 4.05Å; L471-L494 HydrophobicContact CD1-CD1 4.33Å; S490-L494 WeakPolarHBondContact O-CG 3.47Å; S490-L494 PolarHBondContact O-N 3.15Å; Y491-L494 PolarHBondContact O-N 3.48Å |
| 495 | Y | 72.9 | Confident | 84.1 | Confident | 11 Ų | 11 | 33 Ų | 33 | 4% | 0.043 | 16% | 0.16 | C | C | . | . | B | Isolated β-bridge | trans | -117.8 | 162.2 | -171.3 | -61.3 | -78.8 | 0 | 0 | 0 | 112.5 | P36 A38 C41 Y43 R44 L471 Y491 | P36-Y495 HydrophobicContact CB-CE1 3.66Å; P36-Y495 WeakPolarHBondContact CB-OH 3.18Å; P36-Y495 HydrophobicContact CG-CE1 3.94Å; P36-Y495 WeakPolarHBondContact CG-OH 3.46Å; A38-Y495 HydrophobicContact CB-CD1 4.42Å; A38-Y495 HydrophobicContact CB-CE1 4.16Å; C41-Y495 HydrophobicContact CB-CD1 4.41Å; Y43-Y495 HydrophobicContact CD2-CE1 4.29Å; R44-Y495 VanDerWaalsContact CD-O 3.28Å; R44-Y495 WeakPolarHBondContact CD-O 3.44Å; R44-Y495 WeakPolarHBondContact CG-O 3.31Å; L471-Y495 HydrophobicContact CD1-CE2 4.3Å; L471-Y495 HydrophobicContact CD2-CD2 4.4Å; L471-Y495 HydrophobicContact CD2-CE2 3.68Å; L471-Y495 HydrophobicContact CG-CE2 4.49Å; Y491-Y495 AromaticContact CD2-CD2 3.47Å; Y491-Y495 HydrophobicContact CD2-CD2 3.47Å; Y491-Y495 VanDerWaalsContact CD2-CD2 3.47Å; Y491-Y495 HydrophobicContact CD2-CE2 4.17Å; Y491-Y495 HydrophobicContact CD2-CG 4.15Å; Y491-Y495 AromaticContact CE2-CD2 3.58Å; Y491-Y495 HydrophobicContact CE2-CD2 3.58Å; Y491-Y495 HydrophobicContact CE2-CE2 4.39Å; Y491-Y495 AromaticContact CE2-CG 3.8Å; Y491-Y495 HydrophobicContact CE2-CG 3.8Å; Y491-Y495 HydrophobicContact CG-CD2 4.3Å; Y491-Y495 PolarHBondContact O-N 3.09Å |
| 496 | Q | 70.6 | Confident | 84 | Confident | 122 Ų | 122 | 33.2 Ų | 33.2 | 57% | 0.57 | 16% | 0.161 | S | C | * | . | P | Polyproline II helix | trans | -60.8 | 152.3 | 170.9 | -162.7 | 166.4 | 22.8 | 0 | 0 | 110.8 | C41 G42 | C41-Q496 VanDerWaalsContact O-CB 3.22Å; C41-Q496 WeakPolarHBondContact O-CB 3.21Å; G42-Q496 PolarHBondContact O-N 3.5Å |
| 497 | D | 76.3 | Confident | 84 | Confident | 90 Ų | 90 | 33.4 Ų | 33.4 | 48% | 0.481 | 16% | 0.162 | S | C | . | . | P | Polyproline II helix | trans | -59.7 | 142.4 | 178.3 | -62.6 | -39.5 | 0 | 0 | 0 | 110.3 | R44 | R44-D497 IonicContact CZ-OD1 2.77Å; R44-D497 IonicContact NH1-OD1 3.7Å; R44-D497 IonicContact NH2-OD1 2.95Å; R44-D497 PolarHBondContact NH2-OD1 3.03Å; R44-D497 IonicContact NH2-OD2 2.68Å; R44-D497 PolarHBondContact NH2-OD2 2.99Å |
| 498 | P | 80.5 | Confident | 83.9 | Confident | 17 Ų | 17 | 34.3 Ų | 34.3 | 11% | 0.11 | 17% | 0.167 | C | C | . | . | P | Polyproline II helix | trans | -62.2 | 161.6 | 178.8 | 26.3 | -33.7 | 0 | 0 | 0 | 111.4 | L436 F492 V502 C504 | L436-P498 HydrophobicContact CD2-CB 4.43Å; L436-P498 HydrophobicContact CD2-CG 4.11Å; F492-P498 HydrophobicContact CE1-CG 3.88Å; P498-V502 HydrophobicContact CB-CB 4.25Å; P498-V502 HydrophobicContact CB-CG1 4.38Å; P498-V502 HydrophobicContact CB-CG2 4.45Å; P498-C504 WeakPolarHBondContact CG-SG 3.39Å |
| 499 | P | 83.1 | Confident | 83.9 | Confident | 37 Ų | 37 | 34 Ų | 34 | 24% | 0.24 | 17% | 0.166 | C | C | . | . | P | Polyproline II helix | trans | -52 | 151.5 | -179.6 | -29.4 | 37.1 | 0 | 0 | 0 | 114.3 | D501 V502 | P499-D501 WeakPolarHBondContact CB-OD1 3.42Å; P499-D501 PolarHBondContact O-N 3.48Å; P499-D501 VanDerWaalsContact O-N 3.11Å; P499-V502 HydrophobicContact CB-CG2 4.19Å; P499-V502 HydrophobicContact CG-CG2 4.45Å; P499-V502 WeakPolarHBondContact O-CB 3.44Å; P499-V502 PolarHBondContact O-N 3.47Å |
| 500 | R | 85.7 | Confident | 84 | Confident | 196 Ų | 196 | 36.4 Ų | 36.4 | 74% | 0.74 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -17.9 | -176 | -65.4 | -176 | 178.6 | -176.3 | -0.3 | 114.6 | V502 S515 E516 | R500-V502 VanDerWaalsContact C-N 3.31Å; R500-S515 WeakPolarHBondContact O-CB 3.44Å; R500-E516 HydrophobicContact CB-CG 4.2Å; R500-E516 PolarHBondContact O-N 2.83Å; R500-E516 VanDerWaalsContact O-N 3.1Å |
| 501 | D | 90.2 | Very high | 84.5 | Confident | 58 Ų | 58 | 37.1 Ų | 37.1 | 31% | 0.31 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 6.1 | 173.3 | 69.7 | -34.4 | 0 | 0 | 0 | 112.7 | K434 P499 I517 | K434-D501 VanDerWaalsContact CE-OD2 3.3Å; K434-D501 WeakPolarHBondContact CE-OD2 2.99Å; K434-D501 IonicContact NZ-OD1 3.73Å; K434-D501 IonicContact NZ-OD2 2.74Å; K434-D501 PolarHBondContact NZ-OD2 3.28Å; P499-D501 WeakPolarHBondContact CB-OD1 3.42Å; P499-D501 PolarHBondContact O-N 3.48Å; P499-D501 VanDerWaalsContact O-N 3.11Å; D501-I517 WeakPolarHBondContact O-CD1 3.23Å |
| 502 | V | 92.8 | Very high | 85 | Confident | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.018 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 125.9 | 170.6 | -176.9 | 0 | 0 | 0 | 0 | 109.4 | K434 L436 F483 P498 P499 R500 S515 | K434-V502 HydrophobicContact CB-CG2 4.16Å; K434-V502 HydrophobicContact CD-CG2 4.01Å; L436-V502 HydrophobicContact CB-CG1 3.68Å; F483-V502 HydrophobicContact CE1-CG2 4.49Å; F483-V502 HydrophobicContact CE2-CG1 4.36Å; F483-V502 HydrophobicContact CZ-CG1 4.09Å; F483-V502 HydrophobicContact CZ-CG2 3.92Å; P498-V502 HydrophobicContact CB-CB 4.25Å; P498-V502 HydrophobicContact CB-CG1 4.38Å; P498-V502 HydrophobicContact CB-CG2 4.45Å; P499-V502 HydrophobicContact CB-CG2 4.19Å; P499-V502 HydrophobicContact CG-CG2 4.45Å; P499-V502 WeakPolarHBondContact O-CB 3.44Å; P499-V502 PolarHBondContact O-N 3.47Å; R500-V502 VanDerWaalsContact C-N 3.31Å; V502-S515 WeakPolarHBondContact O-CB 3.06Å |
| 503 | T | 94.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 113.1 | 173.7 | -55.1 | 0 | 0 | 0 | 0 | 109.3 | Y424 L428 K434 L436 V512 S515 | Y424-T503 HydrophobicContact CE1-CG2 4.43Å; L428-T503 HydrophobicContact CD1-CG2 3.73Å; K434-T503 PolarHBondContact O-N 2.95Å; L436-T503 PolarHBondContact N-O 3.26Å; T503-V512 HydrophobicContact CG2-CG1 3.48Å; T503-V512 VanDerWaalsContact CG2-CG1 3.48Å; T503-S515 PolarHBondContact OG1-OG 3.26Å |
| 504 | C | 94.3 | Very high | 85.9 | Confident | 4 Ų | 4 | 39.4 Ų | 39.4 | 3% | 0.027 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 133.3 | -179.1 | -54.5 | 0 | 0 | 0 | 0 | 109.9 | H180 L436 F492 P498 V512 S513 | H180-C504 WeakPolarHBondContact NE2-CB 3.47Å; L436-C504 CarbonylContact O-C 3.36Å; L436-C504 WeakPolarHBondContact O-CA 3.15Å; F492-C504 HydrophobicContact CZ-CB 4.18Å; P498-C504 WeakPolarHBondContact CG-SG 3.39Å; C504-V512 CarbonylContact O-C 3.58Å; C504-V512 WeakPolarHBondContact O-CA 3.47Å; C504-S513 PolarHBondContact N-OG 3.46Å; C504-S513 PolarHBondContact O-N 2.98Å |
| 505 | I | 94.7 | Very high | 86.8 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 113.3 | -179.9 | -58.6 | 178 | 0 | 0 | 0 | 107.8 | L417 L425 V435 L436 H438 V512 | L417-I505 HydrophobicContact CD2-CG2 3.64Å; L425-I505 HydrophobicContact CB-CD1 4.02Å; L425-I505 HydrophobicContact CD1-CD1 3.63Å; L425-I505 HydrophobicContact CD2-CD1 4.11Å; L425-I505 HydrophobicContact CG-CD1 4.1Å; V435-I505 HydrophobicContact CG1-CD1 3.98Å; L436-I505 PolarHBondContact O-N 3.41Å; H438-I505 PolarHBondContact CD2-O 3.41Å; H438-I505 PolarHBondContact N-O 2.98Å; I505-V512 HydrophobicContact CG1-CG1 4.42Å; I505-V512 HydrophobicContact CG1-CG2 4.43Å |
| 506 | D | 92.6 | Very high | 87.6 | Confident | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.027 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 110.8 | 175.2 | -172.7 | -19.6 | 0 | 0 | 0 | 109.4 | T181 H438 D508 T509 N510 T511 | T181-D506 WeakPolarHBondContact CA-OD2 3.37Å; H438-D506 VanDerWaalsContact CE1-CB 3.41Å; H438-D506 WeakPolarHBondContact CE1-CB 3.45Å; H438-D506 IonicContact CE1-OD1 3.72Å; H438-D506 IonicContact CE1-OD2 2.84Å; H438-D506 VanDerWaalsContact NE2-CA 3.33Å; H438-D506 WeakPolarHBondContact NE2-CA 3.32Å; H438-D506 VanDerWaalsContact NE2-CB 3.26Å; H438-D506 WeakPolarHBondContact NE2-CB 3.12Å; D506-D508 VanDerWaalsContact C-N 3.32Å; D506-D508 WeakPolarHBondContact OD1-CA 3.24Å; D506-D508 PolarHBondContact OD1-N 2.99Å; D506-T509 VanDerWaalsContact CB-OG1 3.29Å; D506-T509 WeakPolarHBondContact CB-OG1 3.42Å; D506-T509 PolarHBondContact OD1-N 3.07Å; D506-T509 VanDerWaalsContact OD1-N 3.14Å; D506-T509 WeakPolarHBondContact OD2-CB 3.41Å; D506-T509 VanDerWaalsContact OD2-CG2 3.25Å; D506-T509 WeakPolarHBondContact OD2-CG2 3.37Å; D506-T509 PolarHBondContact OD2-OG1 3.06Å; D506-N510 VanDerWaalsContact O-CA 3.25Å; D506-N510 WeakPolarHBondContact O-CA 3.23Å; D506-N510 PolarHBondContact O-N 3.42Å; D506-T511 WeakPolarHBondContact CB-OG1 3.09Å; D506-T511 PolarHBondContact N-O 3.23Å; D506-T511 PolarHBondContact O-N 2.89Å |
| 507 | V | 92.9 | Very high | 88.6 | Confident | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -24 | -178.3 | -172.4 | 0 | 0 | 0 | 0 | 111.9 | L416 I437 H438 N444 V448 | L416-V507 HydrophobicContact CB-CG1 3.58Å; L416-V507 HydrophobicContact CD1-CG1 3.63Å; L416-V507 HydrophobicContact CD2-CG1 4.21Å; L416-V507 HydrophobicContact CG-CG1 3.99Å; I437-V507 HydrophobicContact CG2-CG2 3.31Å; H438-V507 WeakPolarHBondContact O-CG2 3.11Å; H438-V507 PolarHBondContact O-N 3.39Å; N444-V507 HydrophobicContact CB-CG1 4.11Å; V448-V507 HydrophobicContact CG2-CG1 4Å; V448-V507 HydrophobicContact CG2-CG2 4.34Å |
| 508 | D | 89 | Confident | 89.2 | Confident | 23 Ų | 23 | 36.2 Ų | 36.2 | 12% | 0.123 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -32.9 | -178 | -62.3 | -48.3 | 0 | 0 | 0 | 112.5 | Y183 S439 L440 R441 D506 | Y183-D508 HydrophobicContact CE1-CB 4.5Å; S439-D508 WeakPolarHBondContact CA-OD2 3.39Å; S439-D508 VanDerWaalsContact OG-CG 3.25Å; S439-D508 PolarHBondContact OG-OD1 3.32Å; S439-D508 PolarHBondContact OG-OD2 2.81Å; L440-D508 PolarHBondContact N-OD2 3.19Å; R441-D508 IonicContact CZ-OD1 3.7Å; R441-D508 IonicContact NH1-OD1 2.91Å; R441-D508 PolarHBondContact NH1-OD1 2.84Å; D506-D508 VanDerWaalsContact C-N 3.32Å; D506-D508 WeakPolarHBondContact OD1-CA 3.24Å; D506-D508 PolarHBondContact OD1-N 2.99Å |
| 509 | T | 87.8 | Confident | 89.6 | Confident | 24 Ų | 24 | 42 Ų | 42 | 15% | 0.147 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -6.1 | 177.6 | 65.7 | 0 | 0 | 0 | 0 | 113.5 | Y183 D506 T511 | Y183-T509 HydrophobicContact CD1-CG2 3.9Å; Y183-T509 HydrophobicContact CD2-CG2 3.93Å; Y183-T509 HydrophobicContact CE1-CG2 3.92Å; Y183-T509 HydrophobicContact CE2-CG2 3.93Å; Y183-T509 HydrophobicContact CG-CG2 3.91Å; D506-T509 VanDerWaalsContact CB-OG1 3.29Å; D506-T509 WeakPolarHBondContact CB-OG1 3.42Å; D506-T509 PolarHBondContact OD1-N 3.07Å; D506-T509 VanDerWaalsContact OD1-N 3.14Å; D506-T509 WeakPolarHBondContact OD2-CB 3.41Å; D506-T509 VanDerWaalsContact OD2-CG2 3.25Å; D506-T509 WeakPolarHBondContact OD2-CG2 3.37Å; D506-T509 PolarHBondContact OD2-OG1 3.06Å; T509-T511 PolarHBondContact O-N 3.14Å; T509-T511 WeakPolarHBondContact OG1-CG2 3.43Å; T509-T511 PolarHBondContact OG1-OG1 3.38Å |
| 510 | N | 89.5 | Confident | 90.1 | Very high | 64 Ų | 64 | 48.2 Ų | 48.2 | 34% | 0.342 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 39.8 | -172.4 | -165.7 | 16.6 | 0 | 0 | 0 | 112.4 | L417 N421 D506 | L417-N510 VanDerWaalsContact C-OD1 3.32Å; L417-N510 VanDerWaalsContact CA-OD1 3.26Å; L417-N510 WeakPolarHBondContact CA-OD1 3.36Å; L417-N510 VanDerWaalsContact O-CG 3.26Å; L417-N510 PolarHBondContact O-ND2 3.42Å; L417-N510 PolarHBondContact O-OD1 3.29Å; N421-N510 PolarHBondContact ND2-O 3.02Å; N421-N510 VanDerWaalsContact ND2-O 3.1Å; N421-N510 PolarHBondContact ND2-OD1 3.43Å; D506-N510 VanDerWaalsContact O-CA 3.25Å; D506-N510 WeakPolarHBondContact O-CA 3.23Å; D506-N510 PolarHBondContact O-N 3.42Å |
| 511 | T | 87 | Confident | 90.5 | Very high | 21 Ų | 21 | 40.2 Ų | 40.2 | 13% | 0.129 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 154.3 | 179.6 | 66.5 | 0 | 0 | 0 | 0 | 111.5 | D506 T509 | D506-T511 WeakPolarHBondContact CB-OG1 3.09Å; D506-T511 PolarHBondContact N-O 3.23Å; D506-T511 PolarHBondContact O-N 2.89Å; T509-T511 PolarHBondContact O-N 3.14Å; T509-T511 WeakPolarHBondContact OG1-CG2 3.43Å; T509-T511 PolarHBondContact OG1-OG1 3.38Å |
| 512 | V | 90 | Very high | 90.7 | Very high | 10 Ų | 10 | 42.5 Ų | 42.5 | 6% | 0.061 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 142.2 | 173.4 | -175.3 | 0 | 0 | 0 | 0 | 107.4 | Y424 T503 C504 I505 R518 | Y424-V512 HydrophobicContact CD1-CG2 4.43Å; Y424-V512 HydrophobicContact CE1-CG1 4.02Å; T503-V512 HydrophobicContact CG2-CG1 3.48Å; T503-V512 VanDerWaalsContact CG2-CG1 3.48Å; C504-V512 CarbonylContact O-C 3.58Å; C504-V512 WeakPolarHBondContact O-CA 3.47Å; I505-V512 HydrophobicContact CG1-CG1 4.42Å; I505-V512 HydrophobicContact CG1-CG2 4.43Å; V512-R518 PolarHBondContact O-NH1 2.79Å |
| 513 | S | 88.2 | Confident | 90.8 | Very high | 14 Ų | 14 | 44.5 Ų | 44.5 | 10% | 0.098 | 22% | 0.221 | C | C | . | . | trans | -68.4 | 160.6 | 176.6 | 71.7 | 0 | 0 | 0 | 0 | 112.1 | C504 S515 R518 | C504-S513 PolarHBondContact N-OG 3.46Å; C504-S513 PolarHBondContact O-N 2.98Å; S513-S515 PolarHBondContact O-N 3Å; S513-R518 WeakPolarHBondContact O-CD 3.49Å; S513-R518 PolarHBondContact O-NH1 2.87Å | ||
| 514 | A | 82.7 | Confident | 90.7 | Very high | 92 Ų | 92 | 48.9 Ų | 48.9 | 76% | 0.76 | 25% | 0.252 | S | S | * | . | trans | -86.5 | 81.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 515 | S | 87.2 | Confident | 90.8 | Very high | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.014 | 26% | 0.259 | C | S | . | . | trans | -92.7 | 161.4 | 176.9 | 65.6 | 0 | 0 | 0 | 0 | 112.4 | R500 V502 T503 S513 I517 R518 Q519 | R500-S515 WeakPolarHBondContact O-CB 3.44Å; V502-S515 WeakPolarHBondContact O-CB 3.06Å; T503-S515 PolarHBondContact OG1-OG 3.26Å; S513-S515 PolarHBondContact O-N 3Å; S515-I517 PolarHBondContact O-N 2.8Å; S515-R518 PolarHBondContact O-N 3.01Å; S515-R518 VanDerWaalsContact O-N 3.14Å; S515-R518 WeakPolarHBondContact OG-CB 3.32Å; S515-R518 PolarHBondContact OG-N 2.85Å; S515-Q519 PolarHBondContact O-N 2.97Å; S515-Q519 VanDerWaalsContact O-N 3.15Å | ||
| 516 | E | 90 | Very high | 90.9 | Very high | 96 Ų | 96 | 50.4 Ų | 50.4 | 45% | 0.449 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.1 | -36.1 | 171.5 | -68.7 | -179.6 | -170.5 | 0 | 0 | 111.2 | R500 Q519 R520 | R500-E516 HydrophobicContact CB-CG 4.2Å; R500-E516 PolarHBondContact O-N 2.83Å; R500-E516 VanDerWaalsContact O-N 3.1Å; E516-Q519 PolarHBondContact O-N 3.42Å; E516-R520 PolarHBondContact O-N 3.3Å; E516-R520 VanDerWaalsContact O-N 3.1Å |
| 517 | I | 91.8 | Very high | 91.1 | Very high | 12 Ų | 12 | 50.4 Ų | 50.4 | 6% | 0.062 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62 | -44.6 | 175.7 | -62.2 | 178.9 | 0 | 0 | 0 | 110.6 | L428 Q433 D501 S515 Q519 R520 Y521 | L428-I517 HydrophobicContact CD2-CG2 3.68Å; Q433-I517 HydrophobicContact CB-CD1 4.14Å; Q433-I517 HydrophobicContact CB-CG2 4.3Å; Q433-I517 HydrophobicContact CG-CD1 4.5Å; Q433-I517 HydrophobicContact CG-CG2 4Å; Q433-I517 VanDerWaalsContact OE1-CD1 3.28Å; D501-I517 WeakPolarHBondContact O-CD1 3.23Å; S515-I517 PolarHBondContact O-N 2.8Å; I517-Q519 VanDerWaalsContact C-N 3.28Å; I517-Q519 PolarHBondContact O-N 3.43Å; I517-R520 PolarHBondContact O-N 3.49Å; I517-R520 VanDerWaalsContact O-N 3.1Å; I517-Y521 HydrophobicContact CG2-CD2 3.64Å; I517-Y521 HydrophobicContact CG2-CE2 4.1Å; I517-Y521 PolarHBondContact O-N 3.33Å |
| 518 | R | 89.8 | Confident | 91.2 | Very high | 78 Ų | 78 | 60 Ų | 60 | 29% | 0.294 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -68.5 | -25.9 | 178.9 | -174.2 | 178.6 | -178.7 | -159 | 3 | 113.8 | Y424 V512 S513 S515 K522 | Y424-R518 WeakPolarHBondContact OH-CA 3.5Å; Y424-R518 WeakPolarHBondContact OH-CB 3.04Å; Y424-R518 WeakPolarHBondContact OH-CG 3.3Å; V512-R518 PolarHBondContact O-NH1 2.79Å; S513-R518 WeakPolarHBondContact O-CD 3.49Å; S513-R518 PolarHBondContact O-NH1 2.87Å; S515-R518 PolarHBondContact O-N 3.01Å; S515-R518 VanDerWaalsContact O-N 3.14Å; S515-R518 WeakPolarHBondContact OG-CB 3.32Å; S515-R518 PolarHBondContact OG-N 2.85Å; R518-K522 PolarHBondContact O-NZ 3.07Å |
| 519 | Q | 88.4 | Confident | 91.3 | Very high | 138 Ų | 138 | 68.4 Ų | 68.4 | 65% | 0.645 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -70.5 | -40.4 | 170.7 | -65.2 | 174.9 | 18.1 | 0 | 0 | 110.6 | S515 E516 I517 K522 | S515-Q519 PolarHBondContact O-N 2.97Å; S515-Q519 VanDerWaalsContact O-N 3.15Å; E516-Q519 PolarHBondContact O-N 3.42Å; I517-Q519 VanDerWaalsContact C-N 3.28Å; I517-Q519 PolarHBondContact O-N 3.43Å; Q519-K522 WeakPolarHBondContact O-CE 3.42Å |
| 520 | R | 92.4 | Very high | 91.6 | Very high | 168 Ų | 168 | 68.4 Ų | 68.4 | 63% | 0.634 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -75.9 | -47.8 | -177.3 | -170.7 | -177.6 | -66.8 | 168.9 | 3.6 | 114.1 | E516 I517 | E516-R520 PolarHBondContact O-N 3.3Å; E516-R520 VanDerWaalsContact O-N 3.1Å; I517-R520 PolarHBondContact O-N 3.49Å; I517-R520 VanDerWaalsContact O-N 3.1Å |
| 521 | Y | 94.5 | Very high | 92 | Very high | 27 Ų | 27 | 65.9 Ų | 65.9 | 11% | 0.106 | 31% | 0.314 | C | S | . | . | trans | -104.9 | 112.9 | -175.4 | -54.9 | -44.6 | 0 | 0 | 0 | 110.1 | Y424 L431 Q433 I517 L525 L637 | Y424-Y521 WeakPolarHBondContact CE2-O 3.48Å; L431-Y521 HydrophobicContact CD1-CD1 4.43Å; L431-Y521 HydrophobicContact CD1-CD2 4.37Å; L431-Y521 HydrophobicContact CD1-CG 4.34Å; Q433-Y521 HydrophobicContact CG-CD2 4.36Å; Q433-Y521 HydrophobicContact CG-CE2 4.17Å; I517-Y521 HydrophobicContact CG2-CD2 3.64Å; I517-Y521 HydrophobicContact CG2-CE2 4.1Å; I517-Y521 PolarHBondContact O-N 3.33Å; Y521-L525 HydrophobicContact CD1-CD2 3.73Å; Y521-L525 HydrophobicContact CE1-CD2 4.47Å; Y521-L525 HydrophobicContact CG-CD2 4.3Å; Y521-L637 HydrophobicContact CD1-CD1 4.49Å; Y521-L637 HydrophobicContact CE1-CD1 3.85Å | ||
| 522 | K | 94.1 | Very high | 92.4 | Very high | 107 Ų | 107 | 72.5 Ų | 72.5 | 47% | 0.465 | 34% | 0.341 | S | S | . | . | trans | -100.2 | 155.6 | 172.7 | -58.9 | -56.5 | -177.1 | -171 | 0 | 109.6 | R518 Q519 S524 L525 | R518-K522 PolarHBondContact O-NZ 3.07Å; Q519-K522 WeakPolarHBondContact O-CE 3.42Å; K522-S524 PolarHBondContact O-N 3.24Å; K522-L525 WeakPolarHBondContact O-CB 3.48Å; K522-L525 PolarHBondContact O-N 3.22Å | ||
| 523 | L | 94.4 | Very high | 92.7 | Very high | 44 Ų | 44 | 74.2 Ų | 74.2 | 23% | 0.23 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -56.3 | -26.6 | 178 | -168.8 | 65.5 | 0 | 0 | 0 | 112.9 | M423 L525 L526 | M423-L523 HydrophobicContact CB-CD1 3.69Å; M423-L523 HydrophobicContact CE-CD1 4.36Å; M423-L523 HydrophobicContact CE-CD2 4.37Å; L523-L525 PolarHBondContact O-N 3.28Å; L523-L525 VanDerWaalsContact O-N 3.14Å; L523-L526 HydrophobicContact CD1-CD1 3.67Å; L523-L526 PolarHBondContact O-N 3.48Å |
| 524 | S | 94 | Very high | 93.1 | Very high | 92 Ų | 92 | 73.7 Ų | 73.7 | 64% | 0.643 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -63.8 | -10.5 | 174 | 58.8 | 0 | 0 | 0 | 0 | 115 | K522 L526 | K522-S524 PolarHBondContact O-N 3.24Å; S524-L526 VanDerWaalsContact C-N 3.31Å |
| 525 | L | 96.6 | Very high | 93.8 | Very high | 35 Ų | 35 | 72.3 Ų | 72.3 | 18% | 0.183 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -69.1 | -30.3 | 173.2 | -177.5 | 59.9 | 0 | 0 | 0 | 111.6 | L427 L431 Y521 K522 L523 D633 F634 L637 | L427-L525 HydrophobicContact CD1-CD2 4.24Å; L427-L525 HydrophobicContact CD2-CB 4.42Å; L431-L525 HydrophobicContact CD1-CD2 3.86Å; Y521-L525 HydrophobicContact CD1-CD2 3.73Å; Y521-L525 HydrophobicContact CE1-CD2 4.47Å; Y521-L525 HydrophobicContact CG-CD2 4.3Å; K522-L525 WeakPolarHBondContact O-CB 3.48Å; K522-L525 PolarHBondContact O-N 3.22Å; L523-L525 PolarHBondContact O-N 3.28Å; L523-L525 VanDerWaalsContact O-N 3.14Å; L525-D633 HydrophobicContact CD1-CB 4.29Å; L525-F634 HydrophobicContact CD1-CB 4.13Å; L525-F634 HydrophobicContact CG-CB 4.16Å; L525-F634 VanDerWaalsContact O-CB 3.31Å; L525-F634 WeakPolarHBondContact O-CB 3.45Å; L525-L637 HydrophobicContact CD2-CD1 4.04Å |
| 526 | L | 97 | Very high | 94.3 | Very high | 3 Ų | 3 | 77.2 Ų | 77.2 | 2% | 0.016 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -62.3 | 149.8 | 176.4 | -68.3 | 173.2 | 0 | 0 | 0 | 111.1 | M423 M426 L427 L523 S524 R528 A531 F588 F634 | M423-L526 HydrophobicContact CB-CD1 4.49Å; M423-L526 HydrophobicContact CE-CD1 4.26Å; M426-L526 HydrophobicContact CE-CD1 4.26Å; L427-L526 HydrophobicContact CB-CD1 4.44Å; L427-L526 HydrophobicContact CB-CD2 4.14Å; L427-L526 HydrophobicContact CB-CG 4.32Å; L427-L526 HydrophobicContact CD1-CD2 3.68Å; L427-L526 HydrophobicContact CD1-CG 4.1Å; L427-L526 HydrophobicContact CG-CD2 4.43Å; L523-L526 HydrophobicContact CD1-CD1 3.67Å; L523-L526 PolarHBondContact O-N 3.48Å; S524-L526 VanDerWaalsContact C-N 3.31Å; L526-R528 PolarHBondContact O-N 3.16Å; L526-R528 VanDerWaalsContact O-N 3.09Å; L526-A531 HydrophobicContact CB-CB 3.89Å; L526-A531 HydrophobicContact CD1-CB 4.47Å; L526-F588 HydrophobicContact CD2-CZ 4.1Å; L526-F634 HydrophobicContact CD2-CD2 4.39Å; L526-F634 HydrophobicContact CD2-CE2 3.91Å; L526-F634 HydrophobicContact CD2-CZ 4.36Å |
| 527 | P | 96.4 | Very high | 94.6 | Very high | 6 Ų | 6 | 74.2 Ų | 74.2 | 4% | 0.039 | 33% | 0.331 | C | S | . | . | trans | -53.3 | 118.8 | 174.5 | -27 | 35.8 | 0 | 0 | 0 | 111.5 | R529 P530 A531 I592 F634 Y635 | P527-R529 PolarHBondContact O-N 3.37Å; P527-P530 HydrophobicContact CB-CG 4.02Å; P527-P530 VanDerWaalsContact O-CD 3.31Å; P527-P530 WeakPolarHBondContact O-CD 3.25Å; P527-A531 WeakPolarHBondContact O-CB 3.33Å; P527-A531 PolarHBondContact O-N 2.88Å; P527-I592 HydrophobicContact CG-CG2 4.06Å; P527-F634 HydrophobicContact CG-CD1 3.81Å; P527-F634 HydrophobicContact CG-CE1 4Å; P527-Y635 HydrophobicContact CG-CE2 4.23Å | ||
| 528 | R | 94.6 | Very high | 94.9 | Very high | 205 Ų | 205 | 73.7 Ų | 73.7 | 77% | 0.774 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -57.4 | -46.5 | -164.7 | -67.3 | -177.4 | 178.5 | -176.3 | -0.5 | 114.2 | L526 K532 | L526-R528 PolarHBondContact O-N 3.16Å; L526-R528 VanDerWaalsContact O-N 3.09Å; R528-K532 WeakPolarHBondContact O-CB 3.39Å; R528-K532 PolarHBondContact O-N 3.14Å |
| 529 | R | 92 | Very high | 95.2 | Very high | 199 Ų | 199 | 74.5 Ų | 74.5 | 75% | 0.751 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -66.9 | -54.9 | -177.7 | -70 | 179.9 | -174.5 | 174.3 | 0.2 | 111.4 | P527 A531 K532 L533 | P527-R529 PolarHBondContact O-N 3.37Å; R529-A531 VanDerWaalsContact C-N 3.31Å; R529-A531 PolarHBondContact O-N 2.87Å; R529-K532 PolarHBondContact O-N 3.44Å; R529-L533 PolarHBondContact O-N 3.35Å |
| 530 | P | 93.8 | Very high | 95.6 | Very high | 24 Ų | 24 | 72.5 Ų | 72.5 | 16% | 0.156 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.6 | -41.8 | 175.2 | -25.1 | 33.2 | 0 | 0 | 0 | 113.2 | P527 K532 L533 L534 F588 T591 | P527-P530 HydrophobicContact CB-CG 4.02Å; P527-P530 VanDerWaalsContact O-CD 3.31Å; P527-P530 WeakPolarHBondContact O-CD 3.25Å; P530-K532 PolarHBondContact O-N 2.82Å; P530-L533 PolarHBondContact O-N 3.31Å; P530-L534 WeakPolarHBondContact O-CB 3.27Å; P530-L534 PolarHBondContact O-N 2.95Å; P530-F588 HydrophobicContact CB-CD2 3.69Å; P530-F588 HydrophobicContact CB-CE2 3.72Å; P530-T591 HydrophobicContact CB-CG2 4.18Å; P530-T591 HydrophobicContact CG-CG2 3.63Å |
| 531 | A | 97 | Very high | 95.9 | Very high | 10 Ų | 10 | 64.8 Ų | 64.8 | 8% | 0.083 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.1 | -39.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | M423 L526 P527 R529 L534 K535 | M423-A531 HydrophobicContact CE-CB 3.84Å; M423-A531 VanDerWaalsContact CE-O 3.23Å; M423-A531 WeakPolarHBondContact CE-O 3.4Å; L526-A531 HydrophobicContact CB-CB 3.89Å; L526-A531 HydrophobicContact CD1-CB 4.47Å; P527-A531 WeakPolarHBondContact O-CB 3.33Å; P527-A531 PolarHBondContact O-N 2.88Å; R529-A531 VanDerWaalsContact C-N 3.31Å; R529-A531 PolarHBondContact O-N 2.87Å; A531-L534 PolarHBondContact O-N 3.35Å; A531-K535 WeakPolarHBondContact O-CB 3.33Å; A531-K535 PolarHBondContact O-N 3.31Å |
| 532 | K | 96.1 | Very high | 96 | Very high | 160 Ų | 160 | 66.1 Ų | 66.1 | 70% | 0.696 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -64 | -44.1 | 176.4 | -174.4 | -179.8 | 177.6 | -175.7 | 0 | 111.7 | R528 R529 P530 K535 Q536 | R528-K532 WeakPolarHBondContact O-CB 3.39Å; R528-K532 PolarHBondContact O-N 3.14Å; R529-K532 PolarHBondContact O-N 3.44Å; P530-K532 PolarHBondContact O-N 2.82Å; K532-K535 PolarHBondContact O-N 3.1Å; K532-Q536 PolarHBondContact O-N 3.01Å; K532-Q536 VanDerWaalsContact O-N 3.1Å |
| 533 | L | 94.9 | Very high | 96 | Very high | 47 Ų | 47 | 63 Ų | 63 | 25% | 0.246 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.3 | -47.3 | 176.8 | 178.7 | 61.2 | 0 | 0 | 0 | 111.2 | R529 P530 K535 Q536 Q537 A682 | R529-L533 PolarHBondContact O-N 3.35Å; P530-L533 PolarHBondContact O-N 3.31Å; L533-K535 VanDerWaalsContact C-N 3.32Å; L533-K535 PolarHBondContact O-N 3.35Å; L533-Q536 PolarHBondContact O-N 3.41Å; L533-Q537 HydrophobicContact CD1-CG 4.14Å; L533-Q537 WeakPolarHBondContact O-CG 3.45Å; L533-Q537 PolarHBondContact O-N 2.83Å; L533-A682 HydrophobicContact CD1-CB 4.22Å |
| 534 | L | 96.8 | Very high | 96.1 | Very high | 2 Ų | 2 | 64.9 Ų | 64.9 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -54.5 | -49.2 | 176.1 | 175.1 | 57.1 | 0 | 0 | 0 | 111 | M423 M426 P530 A531 Q536 Q537 L538 T584 F585 F588 | M423-L534 HydrophobicContact CE-CD2 4.37Å; M423-L534 HydrophobicContact CG-CD2 3.82Å; M423-L534 HydrophobicContact CG-CG 4.02Å; M423-L534 HydrophobicContact SD-CD2 4.46Å; M423-L534 HydrophobicContact SD-CG 4.24Å; M426-L534 HydrophobicContact CE-CD2 3.64Å; M426-L534 HydrophobicContact SD-CD2 4.4Å; P530-L534 WeakPolarHBondContact O-CB 3.27Å; P530-L534 PolarHBondContact O-N 2.95Å; A531-L534 PolarHBondContact O-N 3.35Å; L534-Q536 PolarHBondContact O-N 2.77Å; L534-Q537 PolarHBondContact O-N 3.25Å; L534-L538 HydrophobicContact CD1-CD1 3.7Å; L534-L538 HydrophobicContact CD1-CD2 4.4Å; L534-L538 HydrophobicContact CD1-CG 3.85Å; L534-L538 HydrophobicContact CG-CD1 3.96Å; L534-L538 HydrophobicContact CG-CG 4.45Å; L534-L538 WeakPolarHBondContact O-CB 3.2Å; L534-L538 VanDerWaalsContact O-CG 3.27Å; L534-L538 WeakPolarHBondContact O-CG 3.48Å; L534-L538 PolarHBondContact O-N 3.19Å; L534-T584 HydrophobicContact CD1-CG2 3.54Å; L534-F585 HydrophobicContact CD1-CD1 4.49Å; L534-F585 HydrophobicContact CD1-CE1 4.49Å; L534-F585 HydrophobicContact CD2-CE1 4.42Å; L534-F588 HydrophobicContact CB-CD2 4.11Å; L534-F588 HydrophobicContact CD2-CB 4.1Å; L534-F588 HydrophobicContact CD2-CD1 4.34Å; L534-F588 HydrophobicContact CD2-CD2 3.72Å; L534-F588 HydrophobicContact CD2-CE2 4.25Å; L534-F588 HydrophobicContact CD2-CG 3.78Å |
| 535 | K | 98.2 | Very high | 96.1 | Very high | 64 Ų | 64 | 60.7 Ų | 60.7 | 28% | 0.278 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.8 | -47.3 | 178.6 | -174.9 | 167.9 | 178.4 | 160.3 | 0 | 112.4 | D420 M423 A531 K532 L533 L538 Q539 | D420-K535 VanDerWaalsContact OD1-CE 3.28Å; D420-K535 WeakPolarHBondContact OD1-CE 3.35Å; D420-K535 IonicContact OD1-NZ 2.94Å; D420-K535 PolarHBondContact OD1-NZ 3.25Å; D420-K535 WeakPolarHBondContact OD2-CE 3.48Å; D420-K535 IonicContact OD2-NZ 2.7Å; D420-K535 PolarHBondContact OD2-NZ 3.36Å; M423-K535 HydrophobicContact CE-CB 4.23Å; M423-K535 HydrophobicContact SD-CB 3.64Å; M423-K535 HydrophobicContact SD-CG 4.21Å; A531-K535 WeakPolarHBondContact O-CB 3.33Å; A531-K535 PolarHBondContact O-N 3.31Å; K532-K535 PolarHBondContact O-N 3.1Å; L533-K535 VanDerWaalsContact C-N 3.32Å; L533-K535 PolarHBondContact O-N 3.35Å; K535-L538 PolarHBondContact O-N 3.11Å; K535-Q539 VanDerWaalsContact O-CG 3.28Å; K535-Q539 WeakPolarHBondContact O-CG 3.46Å; K535-Q539 PolarHBondContact O-N 3.05Å |
| 536 | Q | 96.8 | Very high | 95.8 | Very high | 105 Ų | 105 | 60.9 Ų | 60.9 | 49% | 0.491 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.3 | -48.4 | 179.8 | -178 | -179.3 | -11.1 | 0 | 0 | 111.4 | K532 L533 L534 L538 Q539 D540 | K532-Q536 PolarHBondContact O-N 3.01Å; K532-Q536 VanDerWaalsContact O-N 3.1Å; L533-Q536 PolarHBondContact O-N 3.41Å; L534-Q536 PolarHBondContact O-N 2.77Å; Q536-L538 VanDerWaalsContact C-N 3.35Å; Q536-L538 PolarHBondContact O-N 2.76Å; Q536-Q539 WeakPolarHBondContact O-CB 3.34Å; Q536-Q539 PolarHBondContact O-N 3.5Å; Q536-D540 PolarHBondContact O-N 3.37Å |
| 537 | Q | 96.5 | Very high | 95.4 | Very high | 33 Ų | 33 | 66.5 Ų | 66.5 | 15% | 0.154 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.6 | -40.3 | 179.9 | -68.7 | -174 | -55.1 | 0 | 0 | 112 | L533 L534 Q539 D540 L541 T584 | L533-Q537 HydrophobicContact CD1-CG 4.14Å; L533-Q537 WeakPolarHBondContact O-CG 3.45Å; L533-Q537 PolarHBondContact O-N 2.83Å; L534-Q537 PolarHBondContact O-N 3.25Å; Q537-Q539 VanDerWaalsContact C-N 3.34Å; Q537-Q539 PolarHBondContact O-N 2.69Å; Q537-D540 PolarHBondContact O-N 2.81Å; Q537-L541 WeakPolarHBondContact O-CB 3.46Å; Q537-L541 VanDerWaalsContact O-CG 3.23Å; Q537-L541 WeakPolarHBondContact O-CG 3.24Å; Q537-L541 PolarHBondContact O-N 3.45Å; Q537-T584 HydrophobicContact CB-CG2 3.59Å |
| 538 | L | 98 | Very high | 95 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.3 | -34.2 | 175.8 | -68.9 | 178.6 | 0 | 0 | 0 | 112.6 | L414 P419 M423 L534 K535 Q536 L542 T584 F585 | L414-L538 HydrophobicContact CD1-CB 4.08Å; L414-L538 HydrophobicContact CD1-CD2 4.16Å; L414-L538 HydrophobicContact CD2-CD2 4.32Å; P419-L538 HydrophobicContact CB-CB 3.86Å; P419-L538 HydrophobicContact CG-CB 4.16Å; M423-L538 HydrophobicContact CG-CD1 4.07Å; L534-L538 HydrophobicContact CD1-CD1 3.7Å; L534-L538 HydrophobicContact CD1-CD2 4.4Å; L534-L538 HydrophobicContact CD1-CG 3.85Å; L534-L538 HydrophobicContact CG-CD1 3.96Å; L534-L538 HydrophobicContact CG-CG 4.45Å; L534-L538 WeakPolarHBondContact O-CB 3.2Å; L534-L538 VanDerWaalsContact O-CG 3.27Å; L534-L538 WeakPolarHBondContact O-CG 3.48Å; L534-L538 PolarHBondContact O-N 3.19Å; K535-L538 PolarHBondContact O-N 3.11Å; Q536-L538 VanDerWaalsContact C-N 3.35Å; Q536-L538 PolarHBondContact O-N 2.76Å; L538-L542 VanDerWaalsContact O-CB 3.3Å; L538-L542 WeakPolarHBondContact O-CB 3.39Å; L538-L542 PolarHBondContact O-N 3.35Å; L538-T584 HydrophobicContact CD2-CG2 4.12Å; L538-T584 HydrophobicContact CG-CG2 4.3Å; L538-F585 HydrophobicContact CD1-CE2 4.14Å; L538-F585 HydrophobicContact CD1-CZ 3.91Å; L538-F585 HydrophobicContact CD2-CD2 4.36Å; L538-F585 HydrophobicContact CD2-CE2 3.66Å; L538-F585 HydrophobicContact CD2-CZ 4.29Å |
| 539 | Q | 97.8 | Very high | 94.5 | Very high | 96 Ų | 96 | 59.6 Ų | 59.6 | 45% | 0.449 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.6 | -45.5 | 173.9 | -75.3 | 171.8 | -29.2 | 0 | 0 | 111.4 | P419 K535 Q536 Q537 L542 G543 | P419-Q539 HydrophobicContact CB-CG 4.18Å; P419-Q539 HydrophobicContact CG-CG 3.72Å; K535-Q539 VanDerWaalsContact O-CG 3.28Å; K535-Q539 WeakPolarHBondContact O-CG 3.46Å; K535-Q539 PolarHBondContact O-N 3.05Å; Q536-Q539 WeakPolarHBondContact O-CB 3.34Å; Q536-Q539 PolarHBondContact O-N 3.5Å; Q537-Q539 VanDerWaalsContact C-N 3.34Å; Q537-Q539 PolarHBondContact O-N 2.69Å; Q539-L542 PolarHBondContact O-N 2.76Å; Q539-G543 PolarHBondContact O-N 2.9Å; Q539-G543 VanDerWaalsContact O-N 3.16Å |
| 540 | D | 96.8 | Very high | 94.1 | Very high | 95 Ų | 95 | 56.8 Ų | 56.8 | 51% | 0.508 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 177.1 | -66 | -21.5 | 0 | 0 | 0 | 111.3 | Q536 Q537 G543 K544 | Q536-D540 PolarHBondContact O-N 3.37Å; Q537-D540 PolarHBondContact O-N 2.81Å; D540-G543 PolarHBondContact O-N 2.91Å; D540-K544 PolarHBondContact O-N 3.29Å; D540-K544 VanDerWaalsContact O-N 3.1Å |
| 541 | L | 97 | Very high | 93.5 | Very high | 6 Ų | 6 | 61.4 Ų | 61.4 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 177.8 | -72.1 | 170.2 | 0 | 0 | 0 | 112.4 | L414 Q537 G543 K544 V545 L577 E580 I581 T584 | L414-L541 HydrophobicContact CD2-CB 3.84Å; Q537-L541 WeakPolarHBondContact O-CB 3.46Å; Q537-L541 VanDerWaalsContact O-CG 3.23Å; Q537-L541 WeakPolarHBondContact O-CG 3.24Å; Q537-L541 PolarHBondContact O-N 3.45Å; L541-G543 VanDerWaalsContact C-N 3.27Å; L541-G543 PolarHBondContact O-N 3.37Å; L541-K544 HydrophobicContact CD2-CD 4.33Å; L541-K544 PolarHBondContact O-N 2.96Å; L541-K544 VanDerWaalsContact O-N 3.13Å; L541-V545 WeakPolarHBondContact O-CG2 3.49Å; L541-V545 PolarHBondContact O-N 3.32Å; L541-L577 HydrophobicContact CD2-CD2 4.38Å; L541-E580 HydrophobicContact CD2-CB 3.68Å; L541-E580 VanDerWaalsContact CD2-OE2 3.27Å; L541-E580 WeakPolarHBondContact CD2-OE2 3.47Å; L541-I581 HydrophobicContact CB-CG1 4.45Å; L541-I581 HydrophobicContact CD1-CG1 3.95Å; L541-T584 WeakPolarHBondContact CD1-OG1 3.46Å |
| 542 | L | 97.1 | Very high | 92.7 | Very high | 56 Ų | 56 | 62.2 Ų | 62.2 | 29% | 0.293 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60 | -40.2 | 174.8 | 179.1 | 62 | 0 | 0 | 0 | 111.1 | L414 P419 L538 Q539 V545 G546 | L414-L542 HydrophobicContact CD2-CB 4.21Å; L414-L542 HydrophobicContact CG-CB 4.23Å; L414-L542 HydrophobicContact CG-CD1 4.31Å; P419-L542 HydrophobicContact CG-CD2 4.36Å; L538-L542 VanDerWaalsContact O-CB 3.3Å; L538-L542 WeakPolarHBondContact O-CB 3.39Å; L538-L542 PolarHBondContact O-N 3.35Å; Q539-L542 PolarHBondContact O-N 2.76Å; L542-V545 PolarHBondContact O-N 3.43Å; L542-G546 PolarHBondContact O-N 2.88Å |
| 543 | G | 95.1 | Very high | 91.7 | Very high | 40 Ų | 40 | 58.1 Ų | 58.1 | 41% | 0.412 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.3 | -45.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q539 D540 L541 G546 Q547 | Q539-G543 PolarHBondContact O-N 2.9Å; Q539-G543 VanDerWaalsContact O-N 3.16Å; D540-G543 PolarHBondContact O-N 2.91Å; L541-G543 VanDerWaalsContact C-N 3.27Å; L541-G543 PolarHBondContact O-N 3.37Å; G543-G546 PolarHBondContact O-N 2.88Å; G543-Q547 WeakPolarHBondContact O-CG 3.38Å; G543-Q547 PolarHBondContact O-N 3.22Å; G543-Q547 VanDerWaalsContact O-N 3.16Å |
| 544 | K | 95.2 | Very high | 90.8 | Very high | 85 Ų | 85 | 62.2 Ų | 62.2 | 37% | 0.37 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65 | -40.8 | 176.4 | -62.6 | -176.9 | -165.2 | 174.9 | 0 | 112.7 | D540 L541 G546 Q547 V548 L577 E580 | D540-K544 PolarHBondContact O-N 3.29Å; D540-K544 VanDerWaalsContact O-N 3.1Å; L541-K544 HydrophobicContact CD2-CD 4.33Å; L541-K544 PolarHBondContact O-N 2.96Å; L541-K544 VanDerWaalsContact O-N 3.13Å; K544-G546 VanDerWaalsContact C-N 3.32Å; K544-G546 PolarHBondContact O-N 3.35Å; K544-Q547 WeakPolarHBondContact O-CB 3.04Å; K544-Q547 PolarHBondContact O-N 3.01Å; K544-V548 PolarHBondContact O-N 3.38Å; K544-V548 VanDerWaalsContact O-N 3.07Å; K544-L577 HydrophobicContact CB-CD2 3.72Å; K544-L577 HydrophobicContact CD-CD2 3.96Å; K544-E580 IonicContact NZ-OE2 3.12Å; K544-E580 PolarHBondContact NZ-OE2 3.44Å |
| 545 | V | 93.8 | Very high | 89.5 | Confident | 4 Ų | 4 | 63.4 Ų | 63.4 | 2% | 0.024 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.3 | -46.7 | 175.2 | 170.4 | 0 | 0 | 0 | 0 | 109.9 | T411 L541 L542 Q547 V548 D549 L577 | T411-V545 HydrophobicContact CG2-CG2 4.22Å; L541-V545 WeakPolarHBondContact O-CG2 3.49Å; L541-V545 PolarHBondContact O-N 3.32Å; L542-V545 PolarHBondContact O-N 3.43Å; V545-Q547 VanDerWaalsContact C-N 3.29Å; V545-Q547 PolarHBondContact O-N 3.13Å; V545-V548 PolarHBondContact O-N 3.08Å; V545-D549 PolarHBondContact O-N 2.7Å; V545-L577 HydrophobicContact CG2-CD1 4.07Å |
| 546 | G | 91 | Very high | 88.2 | Confident | 39 Ų | 39 | 67.8 Ų | 67.8 | 40% | 0.402 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -57.8 | -38.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L542 G543 K544 F550 | L542-G546 PolarHBondContact O-N 2.88Å; G543-G546 PolarHBondContact O-N 2.88Å; K544-G546 VanDerWaalsContact C-N 3.32Å; K544-G546 PolarHBondContact O-N 3.35Å; G546-F550 WeakPolarHBondContact O-CB 3.39Å; G546-F550 PolarHBondContact O-N 3.41Å |
| 547 | Q | 89.4 | Confident | 86.6 | Confident | 121 Ų | 121 | 71.2 Ų | 71.2 | 57% | 0.565 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -67.1 | -40.3 | 176.3 | -67.1 | 174.5 | 22.7 | 0 | 0 | 113 | G543 K544 V545 K551 | G543-Q547 WeakPolarHBondContact O-CG 3.38Å; G543-Q547 PolarHBondContact O-N 3.22Å; G543-Q547 VanDerWaalsContact O-N 3.16Å; K544-Q547 WeakPolarHBondContact O-CB 3.04Å; K544-Q547 PolarHBondContact O-N 3.01Å; V545-Q547 VanDerWaalsContact C-N 3.29Å; V545-Q547 PolarHBondContact O-N 3.13Å; Q547-K551 WeakPolarHBondContact O-CG 3.33Å; Q547-K551 PolarHBondContact O-N 3.11Å; Q547-K551 VanDerWaalsContact O-N 3.12Å |
| 548 | V | 87.1 | Confident | 84.7 | Confident | 24 Ų | 24 | 74.9 Ų | 74.9 | 15% | 0.145 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -68.9 | -42.3 | 178 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | K544 V545 K551 T552 L577 | K544-V548 PolarHBondContact O-N 3.38Å; K544-V548 VanDerWaalsContact O-N 3.07Å; V545-V548 PolarHBondContact O-N 3.08Å; V548-K551 PolarHBondContact O-N 2.98Å; V548-T552 WeakPolarHBondContact O-CB 3.46Å; V548-T552 PolarHBondContact O-N 3.23Å; V548-T552 PolarHBondContact O-OG1 3.03Å; V548-L577 HydrophobicContact CB-CD1 4.19Å; V548-L577 HydrophobicContact CG2-CD1 3.67Å |
| 549 | D | 84.4 | Confident | 82.5 | Confident | 42 Ų | 42 | 79.6 Ų | 79.6 | 23% | 0.225 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.8 | -47.8 | 175.3 | -83.1 | -5.1 | 0 | 0 | 0 | 111.2 | K415 V545 K551 T552 T553 | K415-D549 WeakPolarHBondContact CE-OD2 3.26Å; K415-D549 IonicContact NZ-OD2 3.84Å; K415-D549 PolarHBondContact NZ-OD2 3.34Å; V545-D549 PolarHBondContact O-N 2.7Å; D549-K551 VanDerWaalsContact C-N 3.34Å; D549-K551 PolarHBondContact O-N 3.47Å; D549-T552 WeakPolarHBondContact O-CB 3.33Å; D549-T552 PolarHBondContact O-N 3.22Å; D549-T552 VanDerWaalsContact O-N 3.13Å; D549-T553 PolarHBondContact O-N 3.41Å; D549-T553 PolarHBondContact O-OG1 2.97Å; D549-T553 VanDerWaalsContact O-OG1 3.07Å |
| 550 | F | 83 | Confident | 80.3 | Confident | 140 Ų | 140 | 82.9 Ų | 82.9 | 61% | 0.614 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -58 | -45.2 | 177.8 | -179.6 | -99 | 0 | 0 | 0 | 112.2 | G546 T552 T553 K554 | G546-F550 WeakPolarHBondContact O-CB 3.39Å; G546-F550 PolarHBondContact O-N 3.41Å; F550-T552 PolarHBondContact O-N 3.26Å; F550-T553 PolarHBondContact O-N 2.92Å; F550-K554 WeakPolarHBondContact O-CB 3.39Å; F550-K554 PolarHBondContact O-N 2.88Å |
| 551 | K | 81.8 | Confident | 78.4 | Confident | 121 Ų | 121 | 86.7 Ų | 86.7 | 53% | 0.526 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 175.7 | -73.9 | 176.5 | -177.9 | 177.8 | 0 | 111.7 | Q547 V548 D549 K554 A555 | Q547-K551 WeakPolarHBondContact O-CG 3.33Å; Q547-K551 PolarHBondContact O-N 3.11Å; Q547-K551 VanDerWaalsContact O-N 3.12Å; V548-K551 PolarHBondContact O-N 2.98Å; D549-K551 VanDerWaalsContact C-N 3.34Å; D549-K551 PolarHBondContact O-N 3.47Å; K551-K554 PolarHBondContact O-N 3.16Å; K551-A555 WeakPolarHBondContact O-CB 3.35Å; K551-A555 PolarHBondContact O-N 3.25Å |
| 552 | T | 79.8 | Confident | 76.7 | Confident | 26 Ų | 26 | 88.1 Ų | 88.1 | 16% | 0.16 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -64 | -45.4 | 178.6 | -56.5 | 0 | 0 | 0 | 0 | 111.4 | V548 D549 F550 A555 R556 L570 | V548-T552 WeakPolarHBondContact O-CB 3.46Å; V548-T552 PolarHBondContact O-N 3.23Å; V548-T552 PolarHBondContact O-OG1 3.03Å; D549-T552 WeakPolarHBondContact O-CB 3.33Å; D549-T552 PolarHBondContact O-N 3.22Å; D549-T552 VanDerWaalsContact O-N 3.13Å; F550-T552 PolarHBondContact O-N 3.26Å; T552-A555 PolarHBondContact O-N 3.44Å; T552-R556 WeakPolarHBondContact O-CG 3.33Å; T552-R556 PolarHBondContact O-N 2.95Å; T552-L570 HydrophobicContact CG2-CD1 4.23Å |
| 553 | T | 76.5 | Confident | 75 | Confident | 74 Ų | 74 | 88.3 Ų | 88.3 | 45% | 0.454 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 176.6 | -54.7 | 0 | 0 | 0 | 0 | 111.7 | D549 F550 A555 R556 K557 | D549-T553 PolarHBondContact O-N 3.41Å; D549-T553 PolarHBondContact O-OG1 2.97Å; D549-T553 VanDerWaalsContact O-OG1 3.07Å; F550-T553 PolarHBondContact O-N 2.92Å; T553-A555 VanDerWaalsContact C-N 3.35Å; T553-A555 PolarHBondContact O-N 3.06Å; T553-R556 PolarHBondContact O-N 3Å; T553-K557 HydrophobicContact CG2-CD 4.43Å; T553-K557 WeakPolarHBondContact O-CG 3.15Å; T553-K557 PolarHBondContact O-N 3.2Å |
| 554 | K | 75.2 | Confident | 73.6 | Confident | 134 Ų | 134 | 89.9 Ų | 89.9 | 58% | 0.583 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -61.8 | -42.7 | 177.2 | -171.8 | 177 | 179.5 | -179.9 | 0 | 111.7 | F550 K551 K557 T558 | F550-K554 WeakPolarHBondContact O-CB 3.39Å; F550-K554 PolarHBondContact O-N 2.88Å; K551-K554 PolarHBondContact O-N 3.16Å; K554-K557 PolarHBondContact O-N 2.93Å; K554-T558 PolarHBondContact O-N 3.18Å; K554-T558 PolarHBondContact O-OG1 3.11Å |
| 555 | A | 70 | Confident | 72.3 | Confident | 26 Ų | 26 | 93.9 Ų | 93.9 | 22% | 0.215 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -64 | -45.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K551 T552 T553 K557 T558 Q559 L562 | K551-A555 WeakPolarHBondContact O-CB 3.35Å; K551-A555 PolarHBondContact O-N 3.25Å; T552-A555 PolarHBondContact O-N 3.44Å; T553-A555 VanDerWaalsContact C-N 3.35Å; T553-A555 PolarHBondContact O-N 3.06Å; A555-K557 VanDerWaalsContact C-N 3.34Å; A555-K557 PolarHBondContact O-N 3.46Å; A555-T558 PolarHBondContact O-N 3.41Å; A555-Q559 PolarHBondContact O-N 2.94Å; A555-L562 HydrophobicContact CB-CD2 3.54Å |
| 556 | R | 69.6 | Low | 71.3 | Confident | 157 Ų | 157 | 96.8 Ų | 96.8 | 59% | 0.592 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.9 | -31.1 | 176.8 | -71.5 | -175.3 | 179.1 | 174.3 | 1.3 | 114.3 | T552 T553 T558 L562 | T552-R556 WeakPolarHBondContact O-CG 3.33Å; T552-R556 PolarHBondContact O-N 2.95Å; T553-R556 PolarHBondContact O-N 3Å; R556-T558 VanDerWaalsContact C-N 3.32Å; R556-L562 HydrophobicContact CG-CD1 3.53Å; R556-L562 HydrophobicContact CG-CD2 4.48Å; R556-L562 HydrophobicContact CG-CG 3.99Å |
| 557 | K | 63.8 | Low | 70.3 | Confident | 176 Ų | 176 | 96.3 Ų | 96.3 | 77% | 0.765 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -72.4 | -27.2 | 175.9 | -76.7 | -176.2 | 177.5 | -174.4 | 0 | 112.9 | T553 K554 A555 | T553-K557 HydrophobicContact CG2-CD 4.43Å; T553-K557 WeakPolarHBondContact O-CG 3.15Å; T553-K557 PolarHBondContact O-N 3.2Å; K554-K557 PolarHBondContact O-N 2.93Å; A555-K557 VanDerWaalsContact C-N 3.34Å; A555-K557 PolarHBondContact O-N 3.46Å |
| 558 | T | 57.5 | Low | 69.4 | Low | 110 Ų | 110 | 92.4 Ų | 92.4 | 68% | 0.675 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -83.6 | -29.1 | -176.1 | -45.8 | 0 | 0 | 0 | 0 | 111.5 | K554 A555 R556 | K554-T558 PolarHBondContact O-N 3.18Å; K554-T558 PolarHBondContact O-OG1 3.11Å; A555-T558 PolarHBondContact O-N 3.41Å; R556-T558 VanDerWaalsContact C-N 3.32Å |
| 559 | Q | 51.9 | Low | 68.9 | Low | 100 Ų | 100 | 92.4 Ų | 92.4 | 47% | 0.467 | 46% | 0.464 | S | S | . | . | trans | -137.1 | 125.1 | -179.9 | -64.4 | 179.9 | -27.9 | 0 | 0 | 110 | A555 F561 | A555-Q559 PolarHBondContact O-N 2.94Å; Q559-F561 VanDerWaalsContact CB-O 3.31Å; Q559-F561 WeakPolarHBondContact CB-O 3.19Å; Q559-F561 PolarHBondContact O-N 3.28Å | ||
| 560 | N | 50.8 | Low | 68.7 | Low | 165 Ų | 165 | 91.6 Ų | 91.6 | 88% | 0.882 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -56.4 | -22.5 | 177 | -76 | -11.7 | 0 | 0 | 0 | 112.7 | ||
| 561 | F | 56.2 | Low | 68.4 | Low | 175 Ų | 175 | 88.5 Ų | 88.5 | 77% | 0.768 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -129.5 | 130.6 | 171.2 | -67.4 | -84.2 | 0 | 0 | 0 | 110 | Q559 P563 | Q559-F561 VanDerWaalsContact CB-O 3.31Å; Q559-F561 WeakPolarHBondContact CB-O 3.19Å; Q559-F561 PolarHBondContact O-N 3.28Å; F561-P563 WeakPolarHBondContact O-CD 3.4Å |
| 562 | L | 61.3 | Low | 68.4 | Low | 35 Ų | 35 | 87.7 Ų | 87.7 | 18% | 0.183 | 45% | 0.445 | C | S | . | . | trans | -77.9 | 125.4 | 170.7 | -75.4 | 167.2 | 0 | 0 | 0 | 109.2 | A555 R556 V566 | A555-L562 HydrophobicContact CB-CD2 3.54Å; R556-L562 HydrophobicContact CG-CD1 3.53Å; R556-L562 HydrophobicContact CG-CD2 4.48Å; R556-L562 HydrophobicContact CG-CG 3.99Å; L562-V566 HydrophobicContact CD2-CG1 4.13Å | ||
| 563 | P | 62.9 | Low | 68.6 | Low | 60 Ų | 60 | 91.8 Ų | 91.8 | 39% | 0.39 | 46% | 0.461 | S | S | . | . | trans | -52.7 | 140.5 | 168.9 | -25.6 | 33.8 | 0 | 0 | 0 | 110.8 | F561 E565 V566 D567 | F561-P563 WeakPolarHBondContact O-CD 3.4Å; P563-E565 VanDerWaalsContact C-N 3.26Å; P563-E565 PolarHBondContact O-N 2.96Å; P563-V566 HydrophobicContact CB-CG2 4.16Å; P563-V566 HydrophobicContact CG-CG2 4.36Å; P563-V566 WeakPolarHBondContact O-CA 3.36Å; P563-V566 WeakPolarHBondContact O-CB 3.14Å; P563-V566 PolarHBondContact O-N 3.12Å; P563-D567 PolarHBondContact O-N 2.74Å | ||
| 564 | V | 65.4 | Low | 69.1 | Low | 74 Ų | 74 | 92.1 Ų | 92.1 | 45% | 0.448 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -54.1 | -41.6 | -172.9 | 171 | 0 | 0 | 0 | 0 | 112 | V566 D567 L568 | V564-V566 VanDerWaalsContact C-N 3.33Å; V564-V566 PolarHBondContact O-N 2.68Å; V564-D567 PolarHBondContact O-N 3.45Å; V564-L568 HydrophobicContact CG1-CD1 3.55Å; V564-L568 WeakPolarHBondContact O-CB 3.24Å; V564-L568 WeakPolarHBondContact O-CD1 3.15Å; V564-L568 PolarHBondContact O-N 3.27Å |
| 565 | E | 67.7 | Low | 69.5 | Low | 169 Ų | 169 | 89.5 Ų | 89.5 | 79% | 0.79 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -61.3 | -38.3 | 177 | -67.1 | 176.2 | -178.3 | 0 | 0 | 113.1 | P563 L568 G569 | P563-E565 VanDerWaalsContact C-N 3.26Å; P563-E565 PolarHBondContact O-N 2.96Å; E565-L568 PolarHBondContact O-N 3.46Å; E565-G569 PolarHBondContact O-N 2.99Å |
| 566 | V | 72.7 | Confident | 70.3 | Confident | 65 Ų | 65 | 94.7 Ų | 94.7 | 39% | 0.394 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -70.8 | -42.1 | 177.6 | -178.2 | 0 | 0 | 0 | 0 | 110.5 | L562 P563 V564 G569 L570 | L562-V566 HydrophobicContact CD2-CG1 4.13Å; P563-V566 HydrophobicContact CB-CG2 4.16Å; P563-V566 HydrophobicContact CG-CG2 4.36Å; P563-V566 WeakPolarHBondContact O-CA 3.36Å; P563-V566 WeakPolarHBondContact O-CB 3.14Å; P563-V566 PolarHBondContact O-N 3.12Å; V564-V566 VanDerWaalsContact C-N 3.33Å; V564-V566 PolarHBondContact O-N 2.68Å; V566-G569 PolarHBondContact O-N 2.95Å; V566-L570 HydrophobicContact CG1-CD1 4.31Å; V566-L570 WeakPolarHBondContact O-CG 3.35Å; V566-L570 PolarHBondContact O-N 3.11Å |
| 567 | D | 69.6 | Low | 71.4 | Confident | 29 Ų | 29 | 87.7 Ų | 87.7 | 16% | 0.155 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 174.3 | -168.1 | 21.6 | 0 | 0 | 0 | 110.5 | R345 P563 V564 G569 L570 Q571 | R345-D567 IonicContact NH1-OD2 3.6Å; R345-D567 PolarHBondContact NH1-OD2 3.12Å; R345-D567 IonicContact NH2-OD2 3.91Å; P563-D567 PolarHBondContact O-N 2.74Å; V564-D567 PolarHBondContact O-N 3.45Å; D567-G569 PolarHBondContact O-N 3.33Å; D567-L570 PolarHBondContact O-N 3.39Å; D567-Q571 VanDerWaalsContact CG-NE2 3.3Å; D567-Q571 WeakPolarHBondContact O-CB 3.36Å; D567-Q571 VanDerWaalsContact O-CG 3.26Å; D567-Q571 WeakPolarHBondContact O-CG 3.45Å; D567-Q571 PolarHBondContact O-N 3.15Å; D567-Q571 PolarHBondContact OD1-NE2 2.91Å; D567-Q571 VanDerWaalsContact OD1-NE2 3.13Å; D567-Q571 PolarHBondContact OD2-NE2 3.24Å |
| 568 | L | 70.9 | Confident | 72.8 | Confident | 38 Ų | 38 | 81.4 Ų | 81.4 | 20% | 0.199 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.1 | -47.5 | 175 | -96.8 | 135.4 | 0 | 0 | 0 | 112.6 | R383 V564 E565 L570 Q571 Q572 | R383-L568 VanDerWaalsContact NH1-CD2 3.3Å; V564-L568 HydrophobicContact CG1-CD1 3.55Å; V564-L568 WeakPolarHBondContact O-CB 3.24Å; V564-L568 WeakPolarHBondContact O-CD1 3.15Å; V564-L568 PolarHBondContact O-N 3.27Å; E565-L568 PolarHBondContact O-N 3.46Å; L568-L570 VanDerWaalsContact C-N 3.29Å; L568-L570 PolarHBondContact O-N 2.89Å; L568-Q571 PolarHBondContact O-N 3.03Å; L568-Q572 WeakPolarHBondContact O-CG 3.17Å; L568-Q572 PolarHBondContact O-N 3.18Å |
| 569 | G | 77 | Confident | 74.3 | Confident | 25 Ų | 25 | 78.4 Ų | 78.4 | 26% | 0.258 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.3 | -33.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | E565 V566 D567 K573 | E565-G569 PolarHBondContact O-N 2.99Å; V566-G569 PolarHBondContact O-N 2.95Å; D567-G569 PolarHBondContact O-N 3.33Å; G569-K573 WeakPolarHBondContact O-CG 3.5Å; G569-K573 PolarHBondContact O-N 3.18Å |
| 570 | L | 79.7 | Confident | 76.3 | Confident | 25 Ų | 25 | 75.9 Ų | 75.9 | 13% | 0.131 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -72 | -40.9 | 173.2 | -69.7 | 172.1 | 0 | 0 | 0 | 111.8 | T552 V566 D567 L568 K573 R574 | T552-L570 HydrophobicContact CG2-CD1 4.23Å; V566-L570 HydrophobicContact CG1-CD1 4.31Å; V566-L570 WeakPolarHBondContact O-CG 3.35Å; V566-L570 PolarHBondContact O-N 3.11Å; D567-L570 PolarHBondContact O-N 3.39Å; L568-L570 VanDerWaalsContact C-N 3.29Å; L568-L570 PolarHBondContact O-N 2.89Å; L570-K573 PolarHBondContact O-N 3.35Å; L570-R574 PolarHBondContact O-N 2.88Å |
| 571 | Q | 76.5 | Confident | 78.5 | Confident | 75 Ų | 75 | 68 Ų | 68 | 35% | 0.35 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 176 | -74.1 | 174.1 | 15.1 | 0 | 0 | 112 | D567 L568 K573 R574 K575 | D567-Q571 VanDerWaalsContact CG-NE2 3.3Å; D567-Q571 WeakPolarHBondContact O-CB 3.36Å; D567-Q571 VanDerWaalsContact O-CG 3.26Å; D567-Q571 WeakPolarHBondContact O-CG 3.45Å; D567-Q571 PolarHBondContact O-N 3.15Å; D567-Q571 PolarHBondContact OD1-NE2 2.91Å; D567-Q571 VanDerWaalsContact OD1-NE2 3.13Å; D567-Q571 PolarHBondContact OD2-NE2 3.24Å; L568-Q571 PolarHBondContact O-N 3.03Å; Q571-K573 VanDerWaalsContact C-N 3.35Å; Q571-K573 PolarHBondContact O-N 3.27Å; Q571-R574 PolarHBondContact O-N 3.25Å; Q571-K575 WeakPolarHBondContact O-CB 3.42Å; Q571-K575 PolarHBondContact O-N 3.5Å |
| 572 | Q | 80.8 | Confident | 80.3 | Confident | 104 Ų | 104 | 60.6 Ų | 60.6 | 49% | 0.486 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 174.2 | -73.7 | 175.5 | -4.7 | 0 | 0 | 112 | L568 R574 K575 K576 | L568-Q572 WeakPolarHBondContact O-CG 3.17Å; L568-Q572 PolarHBondContact O-N 3.18Å; Q572-R574 VanDerWaalsContact C-N 3.34Å; Q572-K575 PolarHBondContact O-N 3.16Å; Q572-K576 WeakPolarHBondContact O-CB 3.15Å; Q572-K576 PolarHBondContact O-N 3.42Å |
| 573 | K | 84.8 | Confident | 81.9 | Confident | 112 Ų | 112 | 60.2 Ų | 60.2 | 49% | 0.487 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.7 | -39.4 | 174.8 | -73.7 | 173.6 | -177.2 | 169.5 | 0 | 111.9 | G569 L570 Q571 K576 L577 | G569-K573 WeakPolarHBondContact O-CG 3.5Å; G569-K573 PolarHBondContact O-N 3.18Å; L570-K573 PolarHBondContact O-N 3.35Å; Q571-K573 VanDerWaalsContact C-N 3.35Å; Q571-K573 PolarHBondContact O-N 3.27Å; K573-K576 PolarHBondContact O-N 3.11Å; K573-L577 WeakPolarHBondContact O-CG 3.14Å; K573-L577 PolarHBondContact O-N 3.22Å; K573-L577 VanDerWaalsContact O-N 3.11Å |
| 574 | R | 85.9 | Confident | 83.5 | Confident | 81 Ų | 81 | 57.7 Ų | 57.7 | 31% | 0.306 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.1 | -47.3 | 175.3 | -164.9 | -179.1 | -168.2 | -168.1 | 9.6 | 111.6 | N409 T411 D412 L570 Q571 Q572 K576 L577 E578 | N409-R574 PolarHBondContact ND2-NH2 3.43Å; N409-R574 PolarHBondContact OD1-NH2 2.88Å; T411-R574 HydrophobicContact CG2-CG 4.08Å; T411-R574 PolarHBondContact OG1-NE 2.98Å; T411-R574 PolarHBondContact OG1-NH2 3.22Å; D412-R574 IonicContact OD1-NH2 3.87Å; D412-R574 PolarHBondContact OD1-NH2 3.25Å; D412-R574 IonicContact OD2-NH2 2.68Å; D412-R574 PolarHBondContact OD2-NH2 3.17Å; D412-R574 VanDerWaalsContact OD2-NH2 3.14Å; L570-R574 PolarHBondContact O-N 2.88Å; Q571-R574 PolarHBondContact O-N 3.25Å; Q572-R574 VanDerWaalsContact C-N 3.34Å; R574-K576 VanDerWaalsContact C-N 3.28Å; R574-K576 PolarHBondContact O-N 3.24Å; R574-L577 WeakPolarHBondContact O-CB 3.39Å; R574-L577 PolarHBondContact O-N 2.99Å; R574-E578 WeakPolarHBondContact O-CG 3.43Å; R574-E578 PolarHBondContact O-N 3.11Å |
| 575 | K | 84.1 | Confident | 85 | Confident | 79 Ų | 79 | 54.2 Ų | 54.2 | 34% | 0.343 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.1 | -38.5 | 176.6 | -169.4 | 173 | -175.4 | 174.8 | 0 | 111.8 | Q571 Q572 E578 L579 | Q571-K575 WeakPolarHBondContact O-CB 3.42Å; Q571-K575 PolarHBondContact O-N 3.5Å; Q572-K575 PolarHBondContact O-N 3.16Å; K575-E578 PolarHBondContact O-N 3.29Å; K575-L579 WeakPolarHBondContact O-CG 3.34Å; K575-L579 PolarHBondContact O-N 2.68Å |
| 576 | K | 87.9 | Confident | 86.4 | Confident | 134 Ų | 134 | 46.4 Ų | 46.4 | 58% | 0.583 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -61.6 | -45.7 | 172.6 | -177.2 | 177.4 | 176.5 | 178.4 | 0 | 112 | Q572 K573 R574 E578 L579 E580 | Q572-K576 WeakPolarHBondContact O-CB 3.15Å; Q572-K576 PolarHBondContact O-N 3.42Å; K573-K576 PolarHBondContact O-N 3.11Å; R574-K576 VanDerWaalsContact C-N 3.28Å; R574-K576 PolarHBondContact O-N 3.24Å; K576-E578 VanDerWaalsContact C-N 3.35Å; K576-L579 PolarHBondContact O-N 2.79Å; K576-E580 WeakPolarHBondContact CE-OE1 3.42Å; K576-E580 WeakPolarHBondContact O-CG 3.41Å; K576-E580 PolarHBondContact O-N 2.99Å |
| 577 | L | 92.3 | Very high | 87.5 | Confident | 11 Ų | 11 | 43.6 Ų | 43.6 | 6% | 0.058 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.5 | -39.1 | 176.4 | -71.6 | 174.1 | 0 | 0 | 0 | 112.2 | T411 L541 K544 V545 V548 K573 R574 L579 E580 I581 | T411-L577 HydrophobicContact CG2-CB 4.15Å; L541-L577 HydrophobicContact CD2-CD2 4.38Å; K544-L577 HydrophobicContact CB-CD2 3.72Å; K544-L577 HydrophobicContact CD-CD2 3.96Å; V545-L577 HydrophobicContact CG2-CD1 4.07Å; V548-L577 HydrophobicContact CB-CD1 4.19Å; V548-L577 HydrophobicContact CG2-CD1 3.67Å; K573-L577 WeakPolarHBondContact O-CG 3.14Å; K573-L577 PolarHBondContact O-N 3.22Å; K573-L577 VanDerWaalsContact O-N 3.11Å; R574-L577 WeakPolarHBondContact O-CB 3.39Å; R574-L577 PolarHBondContact O-N 2.99Å; L577-L579 VanDerWaalsContact C-N 3.35Å; L577-L579 PolarHBondContact O-N 3.36Å; L577-E580 PolarHBondContact O-N 2.95Å; L577-I581 VanDerWaalsContact O-CG1 3.25Å; L577-I581 WeakPolarHBondContact O-CG1 3.35Å; L577-I581 PolarHBondContact O-N 3.18Å |
| 578 | E | 92 | Very high | 88.7 | Confident | 43 Ų | 43 | 42.4 Ų | 42.4 | 20% | 0.201 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.1 | -46.4 | 174.3 | -73.8 | 179.3 | 173.3 | 0 | 0 | 111.6 | Y410 T411 R574 K575 K576 I581 Q582 | Y410-E578 HydrophobicContact CD2-CB 4.05Å; Y410-E578 HydrophobicContact CD2-CG 4.27Å; T411-E578 HydrophobicContact CG2-CG 3.86Å; R574-E578 WeakPolarHBondContact O-CG 3.43Å; R574-E578 PolarHBondContact O-N 3.11Å; K575-E578 PolarHBondContact O-N 3.29Å; K576-E578 VanDerWaalsContact C-N 3.35Å; E578-I581 PolarHBondContact O-N 3.16Å; E578-Q582 WeakPolarHBondContact O-CG 3.32Å; E578-Q582 PolarHBondContact O-N 3.21Å |
| 579 | L | 90.8 | Very high | 90 | Very high | 47 Ų | 47 | 40.6 Ų | 40.6 | 25% | 0.246 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63 | -42.1 | 175 | -69.9 | 172.7 | 0 | 0 | 0 | 112.5 | K575 K576 L577 I581 Q582 E583 L687 | K575-L579 WeakPolarHBondContact O-CG 3.34Å; K575-L579 PolarHBondContact O-N 2.68Å; K576-L579 PolarHBondContact O-N 2.79Å; L577-L579 VanDerWaalsContact C-N 3.35Å; L577-L579 PolarHBondContact O-N 3.36Å; L579-I581 VanDerWaalsContact C-N 3.33Å; L579-I581 PolarHBondContact O-N 3.2Å; L579-Q582 PolarHBondContact O-N 3.32Å; L579-E583 VanDerWaalsContact O-CB 3.29Å; L579-E583 WeakPolarHBondContact O-CB 3.36Å; L579-E583 PolarHBondContact O-N 2.92Å; L579-L687 HydrophobicContact CD2-CD1 4.45Å |
| 580 | E | 93.5 | Very high | 90.9 | Very high | 48 Ų | 48 | 39.5 Ų | 39.5 | 22% | 0.224 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.4 | -37.2 | 177 | -73.5 | -179.8 | -156.1 | 0 | 0 | 112 | L541 K544 K576 L577 T584 | L541-E580 HydrophobicContact CD2-CB 3.68Å; L541-E580 VanDerWaalsContact CD2-OE2 3.27Å; L541-E580 WeakPolarHBondContact CD2-OE2 3.47Å; K544-E580 IonicContact NZ-OE2 3.12Å; K544-E580 PolarHBondContact NZ-OE2 3.44Å; K576-E580 WeakPolarHBondContact CE-OE1 3.42Å; K576-E580 WeakPolarHBondContact O-CG 3.41Å; K576-E580 PolarHBondContact O-N 2.99Å; L577-E580 PolarHBondContact O-N 2.95Å; E580-T584 WeakPolarHBondContact O-CB 3.35Å; E580-T584 PolarHBondContact O-N 3.11Å; E580-T584 PolarHBondContact O-OG1 3.46Å |
| 581 | I | 95.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.9 | -50.5 | 175.1 | -65.1 | 163.8 | 0 | 0 | 0 | 110.1 | T411 L414 L541 L577 E578 L579 E583 T584 F585 | T411-I581 HydrophobicContact CG2-CD1 4.13Å; L414-I581 HydrophobicContact CB-CD1 4.33Å; L414-I581 HydrophobicContact CD2-CD1 4.05Å; L414-I581 HydrophobicContact CD2-CG1 4.14Å; L541-I581 HydrophobicContact CB-CG1 4.45Å; L541-I581 HydrophobicContact CD1-CG1 3.95Å; L577-I581 VanDerWaalsContact O-CG1 3.25Å; L577-I581 WeakPolarHBondContact O-CG1 3.35Å; L577-I581 PolarHBondContact O-N 3.18Å; E578-I581 PolarHBondContact O-N 3.16Å; L579-I581 VanDerWaalsContact C-N 3.33Å; L579-I581 PolarHBondContact O-N 3.2Å; I581-E583 VanDerWaalsContact C-N 3.3Å; I581-E583 PolarHBondContact O-N 3.02Å; I581-T584 WeakPolarHBondContact O-CB 3.22Å; I581-T584 PolarHBondContact O-N 3.49Å; I581-T584 VanDerWaalsContact O-N 3.14Å; I581-F585 HydrophobicContact CG2-CD2 4.18Å; I581-F585 HydrophobicContact CG2-CE2 4.13Å; I581-F585 WeakPolarHBondContact O-CD2 3.48Å; I581-F585 PolarHBondContact O-N 2.93Å |
| 582 | Q | 95.3 | Very high | 92.4 | Very high | 19 Ų | 19 | 36.8 Ų | 36.8 | 9% | 0.089 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.2 | -44.2 | 176.7 | -71.6 | -179.8 | -63.8 | 0 | 0 | 111.8 | L403 Y410 L455 E578 L579 T584 F585 L586 L687 | L403-Q582 HydrophobicContact CD1-CB 4.22Å; Y410-Q582 HydrophobicContact CD1-CG 4.08Å; Y410-Q582 HydrophobicContact CD2-CG 3.7Å; Y410-Q582 HydrophobicContact CE1-CG 3.92Å; Y410-Q582 HydrophobicContact CE2-CG 3.54Å; Y410-Q582 VanDerWaalsContact CE2-NE2 3.29Å; Y410-Q582 HydrophobicContact CG-CG 3.97Å; Y410-Q582 PolarHBondContact OH-NE2 3.01Å; L455-Q582 HydrophobicContact CD2-CG 4.26Å; E578-Q582 WeakPolarHBondContact O-CG 3.32Å; E578-Q582 PolarHBondContact O-N 3.21Å; L579-Q582 PolarHBondContact O-N 3.32Å; Q582-T584 VanDerWaalsContact C-N 3.28Å; Q582-T584 PolarHBondContact O-N 3.18Å; Q582-F585 PolarHBondContact O-N 2.94Å; Q582-L586 VanDerWaalsContact O-CB 3.31Å; Q582-L586 WeakPolarHBondContact O-CB 3.42Å; Q582-L586 PolarHBondContact O-N 2.85Å; Q582-L687 HydrophobicContact CB-CD1 3.87Å |
| 583 | E | 94.9 | Very high | 93.2 | Very high | 27 Ų | 27 | 31.8 Ų | 31.8 | 13% | 0.126 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.8 | -38.8 | 178.2 | -176.3 | 173 | 103.1 | 0 | 0 | 111.9 | L579 I581 L586 R587 L686 L687 | L579-E583 VanDerWaalsContact O-CB 3.29Å; L579-E583 WeakPolarHBondContact O-CB 3.36Å; L579-E583 PolarHBondContact O-N 2.92Å; I581-E583 VanDerWaalsContact C-N 3.3Å; I581-E583 PolarHBondContact O-N 3.02Å; E583-L586 PolarHBondContact O-N 3.49Å; E583-R587 VanDerWaalsContact O-CB 3.32Å; E583-R587 WeakPolarHBondContact O-CB 3.47Å; E583-R587 PolarHBondContact O-N 3.19Å; E583-R587 IonicContact OE1-CZ 3.91Å; E583-R587 IonicContact OE1-NH2 2.8Å; E583-R587 PolarHBondContact OE1-NH2 2.76Å; E583-L686 HydrophobicContact CG-CB 4.14Å; E583-L686 HydrophobicContact CG-CG 4.5Å; E583-L686 PolarHBondContact OE2-N 2.95Å; E583-L687 HydrophobicContact CB-CD1 4Å; E583-L687 HydrophobicContact CB-CG 4.35Å; E583-L687 PolarHBondContact OE2-N 2.73Å |
| 584 | T | 95.9 | Very high | 93.6 | Very high | 7 Ų | 7 | 30.1 Ų | 30.1 | 4% | 0.043 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.7 | -43.4 | 178.9 | -63.4 | 0 | 0 | 0 | 0 | 111.7 | L534 Q537 L538 L541 E580 I581 Q582 F588 | L534-T584 HydrophobicContact CD1-CG2 3.54Å; Q537-T584 HydrophobicContact CB-CG2 3.59Å; L538-T584 HydrophobicContact CD2-CG2 4.12Å; L538-T584 HydrophobicContact CG-CG2 4.3Å; L541-T584 WeakPolarHBondContact CD1-OG1 3.46Å; E580-T584 WeakPolarHBondContact O-CB 3.35Å; E580-T584 PolarHBondContact O-N 3.11Å; E580-T584 PolarHBondContact O-OG1 3.46Å; I581-T584 WeakPolarHBondContact O-CB 3.22Å; I581-T584 PolarHBondContact O-N 3.49Å; I581-T584 VanDerWaalsContact O-N 3.14Å; Q582-T584 VanDerWaalsContact C-N 3.28Å; Q582-T584 PolarHBondContact O-N 3.18Å; T584-F588 PolarHBondContact O-N 2.84Å |
| 585 | F | 97.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 0% | 0.004 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -70.5 | -42.5 | 173.2 | -79.7 | -88.8 | 0 | 0 | 0 | 112.3 | F413 C422 M426 L455 L534 L538 I581 Q582 R587 F588 M589 | F413-F585 HydrophobicContact CE1-CE2 4.21Å; F413-F585 AromaticContact CE1-CZ 3.91Å; F413-F585 HydrophobicContact CE1-CZ 3.91Å; C422-F585 HydrophobicContact CB-CZ 4.3Å; M426-F585 HydrophobicContact CB-CE1 4.47Å; M426-F585 HydrophobicContact SD-CD1 3.61Å; M426-F585 HydrophobicContact SD-CE1 3.73Å; L455-F585 HydrophobicContact CB-CB 4.21Å; L455-F585 HydrophobicContact CB-CD1 4.09Å; L455-F585 HydrophobicContact CB-CG 4.03Å; L455-F585 HydrophobicContact CD1-CD1 4.43Å; L455-F585 HydrophobicContact CD1-CD2 3.86Å; L455-F585 HydrophobicContact CD1-CE1 4.38Å; L455-F585 HydrophobicContact CD1-CE2 3.79Å; L455-F585 HydrophobicContact CD1-CG 4.19Å; L455-F585 HydrophobicContact CD1-CZ 4.08Å; L455-F585 HydrophobicContact CD2-CB 3.81Å; L455-F585 HydrophobicContact CD2-CD2 3.65Å; L455-F585 HydrophobicContact CD2-CE2 4.4Å; L455-F585 HydrophobicContact CD2-CG 3.8Å; L455-F585 HydrophobicContact CG-CD2 4.2Å; L455-F585 HydrophobicContact CG-CG 4.21Å; L534-F585 HydrophobicContact CD1-CD1 4.49Å; L534-F585 HydrophobicContact CD1-CE1 4.49Å; L534-F585 HydrophobicContact CD2-CE1 4.42Å; L538-F585 HydrophobicContact CD1-CE2 4.14Å; L538-F585 HydrophobicContact CD1-CZ 3.91Å; L538-F585 HydrophobicContact CD2-CD2 4.36Å; L538-F585 HydrophobicContact CD2-CE2 3.66Å; L538-F585 HydrophobicContact CD2-CZ 4.29Å; I581-F585 HydrophobicContact CG2-CD2 4.18Å; I581-F585 HydrophobicContact CG2-CE2 4.13Å; I581-F585 WeakPolarHBondContact O-CD2 3.48Å; I581-F585 PolarHBondContact O-N 2.93Å; Q582-F585 PolarHBondContact O-N 2.94Å; F585-R587 VanDerWaalsContact C-N 3.27Å; F585-R587 PolarHBondContact O-N 2.91Å; F585-F588 WeakPolarHBondContact O-CA 3.42Å; F585-F588 WeakPolarHBondContact O-CB 3.31Å; F585-F588 PolarHBondContact O-N 3.42Å; F585-M589 WeakPolarHBondContact O-CG 3.41Å; F585-M589 PolarHBondContact O-N 3.31Å |
| 586 | L | 96.3 | Very high | 94.4 | Very high | 5 Ų | 5 | 24.4 Ų | 24.4 | 3% | 0.026 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -56.8 | -41.9 | 176.4 | 177.1 | 63.8 | 0 | 0 | 0 | 111.6 | F457 Q582 E583 M589 A590 F665 F666 L686 L687 | F457-L586 HydrophobicContact CD1-CD1 3.57Å; F457-L586 HydrophobicContact CE1-CD1 3.76Å; Q582-L586 VanDerWaalsContact O-CB 3.31Å; Q582-L586 WeakPolarHBondContact O-CB 3.42Å; Q582-L586 PolarHBondContact O-N 2.85Å; E583-L586 PolarHBondContact O-N 3.49Å; L586-M589 PolarHBondContact O-N 2.79Å; L586-A590 VanDerWaalsContact O-CB 3.31Å; L586-A590 WeakPolarHBondContact O-CB 3.07Å; L586-A590 PolarHBondContact O-N 2.73Å; L586-F665 HydrophobicContact CD2-CE1 4.1Å; L586-F665 HydrophobicContact CD2-CZ 4.14Å; L586-F666 HydrophobicContact CD1-CD2 4Å; L586-F666 HydrophobicContact CD1-CE2 4.22Å; L586-L686 HydrophobicContact CD2-CB 3.93Å; L586-L686 HydrophobicContact CD2-CD1 4.16Å; L586-L686 HydrophobicContact CG-CD1 4.05Å; L586-L687 HydrophobicContact CD2-CD2 4.09Å; L586-L687 HydrophobicContact CD2-CG 4.12Å |
| 587 | R | 95.3 | Very high | 94.7 | Very high | 5 Ų | 5 | 19.4 Ų | 19.4 | 2% | 0.019 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63 | -43.2 | 174.7 | -174.1 | -176.8 | -67 | 98.6 | 6.4 | 111.4 | E583 F585 T591 M673 V681 V684 L686 | E583-R587 VanDerWaalsContact O-CB 3.32Å; E583-R587 WeakPolarHBondContact O-CB 3.47Å; E583-R587 PolarHBondContact O-N 3.19Å; E583-R587 IonicContact OE1-CZ 3.91Å; E583-R587 IonicContact OE1-NH2 2.8Å; E583-R587 PolarHBondContact OE1-NH2 2.76Å; F585-R587 VanDerWaalsContact C-N 3.27Å; F585-R587 PolarHBondContact O-N 2.91Å; R587-T591 WeakPolarHBondContact O-CB 3.27Å; R587-T591 PolarHBondContact O-N 3.26Å; R587-T591 PolarHBondContact O-OG1 3.44Å; R587-M673 HydrophobicContact CG-CE 3.7Å; R587-M673 HydrophobicContact CG-SD 4.08Å; R587-M673 WeakPolarHBondContact O-CE 3.39Å; R587-V681 WeakPolarHBondContact CD-O 3.26Å; R587-V681 HydrophobicContact CG-CG1 4.34Å; R587-V681 PolarHBondContact NE-O 3.48Å; R587-V684 PolarHBondContact NH2-O 2.53Å; R587-L686 HydrophobicContact CB-CD1 4.08Å |
| 588 | F | 96.4 | Very high | 94.7 | Very high | 5 Ų | 5 | 24.3 Ų | 24.3 | 2% | 0.022 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.9 | -48.2 | 173.4 | 174.9 | -90.4 | 0 | 0 | 0 | 111.1 | M426 L430 L526 P530 L534 T584 F585 T591 I592 | M426-F588 HydrophobicContact CE-CD1 3.67Å; M426-F588 HydrophobicContact CE-CE1 3.3Å; M426-F588 HydrophobicContact CE-CE2 4.33Å; M426-F588 HydrophobicContact CE-CG 4.35Å; M426-F588 HydrophobicContact CE-CZ 3.69Å; M426-F588 HydrophobicContact SD-CD1 3.82Å; M426-F588 HydrophobicContact SD-CE1 3.86Å; L430-F588 HydrophobicContact CD1-CE1 4.42Å; L526-F588 HydrophobicContact CD2-CZ 4.1Å; P530-F588 HydrophobicContact CB-CD2 3.69Å; P530-F588 HydrophobicContact CB-CE2 3.72Å; L534-F588 HydrophobicContact CB-CD2 4.11Å; L534-F588 HydrophobicContact CD2-CB 4.1Å; L534-F588 HydrophobicContact CD2-CD1 4.34Å; L534-F588 HydrophobicContact CD2-CD2 3.72Å; L534-F588 HydrophobicContact CD2-CE2 4.25Å; L534-F588 HydrophobicContact CD2-CG 3.78Å; T584-F588 PolarHBondContact O-N 2.84Å; F585-F588 WeakPolarHBondContact O-CA 3.42Å; F585-F588 WeakPolarHBondContact O-CB 3.31Å; F585-F588 PolarHBondContact O-N 3.42Å; F588-T591 WeakPolarHBondContact O-CB 3.31Å; F588-T591 PolarHBondContact O-N 2.83Å; F588-T591 VanDerWaalsContact O-N 3.16Å; F588-I592 HydrophobicContact CD1-CG2 4.45Å; F588-I592 HydrophobicContact CE1-CD1 3.91Å; F588-I592 HydrophobicContact CE1-CG1 4.45Å; F588-I592 HydrophobicContact CE1-CG2 3.92Å; F588-I592 HydrophobicContact CE2-CG2 4.09Å; F588-I592 HydrophobicContact CZ-CG2 3.72Å; F588-I592 PolarHBondContact O-N 3.45Å |
| 589 | M | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.8 | -46.2 | 179.8 | -67.6 | -53.1 | -57.4 | 0 | 0 | 112.6 | L430 I456 F457 F459 F585 L586 T591 I592 M593 F666 | L430-M589 HydrophobicContact CD1-SD 4.42Å; L430-M589 HydrophobicContact CD2-CE 3.96Å; L430-M589 HydrophobicContact CD2-SD 4.3Å; I456-M589 WeakPolarHBondContact O-CE 3.32Å; F457-M589 WeakPolarHBondContact O-CB 3.25Å; F457-M589 VanDerWaalsContact O-CG 3.26Å; F457-M589 WeakPolarHBondContact O-CG 3.23Å; F459-M589 HydrophobicContact CD2-CE 3.41Å; F459-M589 VanDerWaalsContact CD2-CE 3.41Å; F459-M589 HydrophobicContact CE2-CE 3.47Å; F459-M589 VanDerWaalsContact CE2-CE 3.47Å; F585-M589 WeakPolarHBondContact O-CG 3.41Å; F585-M589 PolarHBondContact O-N 3.31Å; L586-M589 PolarHBondContact O-N 2.79Å; M589-T591 VanDerWaalsContact C-N 3.28Å; M589-T591 PolarHBondContact O-N 2.77Å; M589-I592 HydrophobicContact CE-CD1 3.87Å; M589-I592 HydrophobicContact CE-CG1 4.43Å; M589-I592 VanDerWaalsContact O-CG1 3.27Å; M589-I592 WeakPolarHBondContact O-CG1 2.9Å; M589-I592 PolarHBondContact O-N 3.08Å; M589-I592 HydrophobicContact SD-CD1 3.91Å; M589-I592 HydrophobicContact SD-CG1 4.5Å; M589-M593 WeakPolarHBondContact O-CB 3.39Å; M589-M593 WeakPolarHBondContact O-CG 3.44Å; M589-M593 PolarHBondContact O-N 3.32Å; M589-F666 HydrophobicContact CB-CE2 4.36Å |
| 590 | A | 95.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 23 Ų | 23 | 2% | 0.017 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.8 | -32.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L586 M593 K594 F666 V670 M673 | L586-A590 VanDerWaalsContact O-CB 3.31Å; L586-A590 WeakPolarHBondContact O-CB 3.07Å; L586-A590 PolarHBondContact O-N 2.73Å; A590-M593 CarbonylContact O-C 3.54Å; A590-K594 PolarHBondContact O-N 3.4Å; A590-F666 HydrophobicContact CB-CE2 4.06Å; A590-F666 HydrophobicContact CB-CZ 4.28Å; A590-V670 HydrophobicContact CB-CG2 3.92Å; A590-M673 HydrophobicContact CB-CE 4.14Å; A590-M673 HydrophobicContact CB-SD 3.34Å; A590-M673 WeakPolarHBondContact CB-SD 3.37Å |
| 591 | T | 94.1 | Very high | 95.2 | Very high | 42 Ų | 42 | 25.8 Ų | 25.8 | 26% | 0.258 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -69.3 | -47.6 | 174.5 | -51.8 | 0 | 0 | 0 | 0 | 111.7 | P530 R587 F588 M589 M593 K594 M673 | P530-T591 HydrophobicContact CB-CG2 4.18Å; P530-T591 HydrophobicContact CG-CG2 3.63Å; R587-T591 WeakPolarHBondContact O-CB 3.27Å; R587-T591 PolarHBondContact O-N 3.26Å; R587-T591 PolarHBondContact O-OG1 3.44Å; F588-T591 WeakPolarHBondContact O-CB 3.31Å; F588-T591 PolarHBondContact O-N 2.83Å; F588-T591 VanDerWaalsContact O-N 3.16Å; M589-T591 VanDerWaalsContact C-N 3.28Å; M589-T591 PolarHBondContact O-N 2.77Å; T591-M593 PolarHBondContact O-N 2.94Å; T591-K594 VanDerWaalsContact O-CB 3.23Å; T591-K594 WeakPolarHBondContact O-CB 3.37Å; T591-K594 PolarHBondContact O-N 3.11Å; T591-K594 VanDerWaalsContact O-N 3.15Å; T591-M673 WeakPolarHBondContact OG1-CE 3.27Å |
| 592 | I | 95.3 | Very high | 95 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -69.3 | -27.3 | -178.7 | 66.3 | 167.2 | 0 | 0 | 0 | 112.1 | L430 P527 F588 M589 F634 Y635 | L430-I592 HydrophobicContact CD1-CD1 4.42Å; P527-I592 HydrophobicContact CG-CG2 4.06Å; F588-I592 HydrophobicContact CD1-CG2 4.45Å; F588-I592 HydrophobicContact CE1-CD1 3.91Å; F588-I592 HydrophobicContact CE1-CG1 4.45Å; F588-I592 HydrophobicContact CE1-CG2 3.92Å; F588-I592 HydrophobicContact CE2-CG2 4.09Å; F588-I592 HydrophobicContact CZ-CG2 3.72Å; F588-I592 PolarHBondContact O-N 3.45Å; M589-I592 HydrophobicContact CE-CD1 3.87Å; M589-I592 HydrophobicContact CE-CG1 4.43Å; M589-I592 VanDerWaalsContact O-CG1 3.27Å; M589-I592 WeakPolarHBondContact O-CG1 2.9Å; M589-I592 PolarHBondContact O-N 3.08Å; M589-I592 HydrophobicContact SD-CD1 3.91Å; M589-I592 HydrophobicContact SD-CG1 4.5Å; I592-F634 HydrophobicContact CD1-CE1 4.47Å; I592-F634 HydrophobicContact CD1-CZ 4.31Å; I592-Y635 WeakPolarHBondContact CA-OH 3.42Å; I592-Y635 WeakPolarHBondContact O-CE1 3.38Å; I592-Y635 PolarHBondContact O-OH 3.19Å |
| 593 | M | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 12 | 174.7 | -62.1 | -55.9 | -71.8 | 0 | 0 | 113.3 | F459 M589 A590 T591 D595 Y596 F644 F647 F666 | F459-M593 HydrophobicContact CE1-CE 4.37Å; F459-M593 HydrophobicContact CE2-SD 4.32Å; F459-M593 HydrophobicContact CZ-CE 4Å; F459-M593 HydrophobicContact CZ-CG 4.39Å; F459-M593 HydrophobicContact CZ-SD 3.67Å; M589-M593 WeakPolarHBondContact O-CB 3.39Å; M589-M593 WeakPolarHBondContact O-CG 3.44Å; M589-M593 PolarHBondContact O-N 3.32Å; A590-M593 CarbonylContact O-C 3.54Å; T591-M593 PolarHBondContact O-N 2.94Å; M593-D595 PolarHBondContact O-N 2.79Å; M593-Y596 HydrophobicContact CB-CD1 4.29Å; M593-Y596 HydrophobicContact CE-CD2 4.36Å; M593-Y596 HydrophobicContact CE-CG 4.07Å; M593-Y596 WeakPolarHBondContact O-CB 3.23Å; M593-Y596 WeakPolarHBondContact O-CD1 3.45Å; M593-Y596 PolarHBondContact O-N 2.93Å; M593-Y596 VanDerWaalsContact O-N 3.16Å; M593-F644 HydrophobicContact CE-CD2 4.36Å; M593-F644 HydrophobicContact CE-CE2 3.81Å; M593-F644 HydrophobicContact SD-CE2 4.31Å; M593-F647 HydrophobicContact CE-CD1 3.92Å; M593-F647 HydrophobicContact CE-CE1 3.32Å; M593-F647 HydrophobicContact CE-CZ 3.99Å; M593-F666 HydrophobicContact CB-CE1 3.99Å; M593-F666 HydrophobicContact CB-CZ 3.89Å; M593-F666 HydrophobicContact CG-CE1 4.45Å; M593-F666 HydrophobicContact CG-CZ 4.21Å |
| 594 | K | 93.3 | Very high | 94.5 | Very high | 77 Ų | 77 | 32.2 Ų | 32.2 | 34% | 0.335 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 132.4 | 178.3 | 176.9 | 172.6 | -179.7 | 165.5 | 0 | 110.8 | A590 T591 Y596 R627 D674 | A590-K594 PolarHBondContact O-N 3.4Å; T591-K594 VanDerWaalsContact O-CB 3.23Å; T591-K594 WeakPolarHBondContact O-CB 3.37Å; T591-K594 PolarHBondContact O-N 3.11Å; T591-K594 VanDerWaalsContact O-N 3.15Å; K594-Y596 PolarHBondContact O-N 3.41Å; K594-R627 PolarHBondContact O-NH1 2.99Å; K594-R627 PolarHBondContact O-NH2 3.19Å; K594-D674 VanDerWaalsContact CE-OD1 3.25Å; K594-D674 WeakPolarHBondContact CE-OD1 3.14Å; K594-D674 IonicContact NZ-OD1 2.73Å; K594-D674 PolarHBondContact NZ-OD1 3Å |
| 595 | D | 92.9 | Very high | 93.9 | Very high | 39 Ų | 39 | 35.7 Ų | 35.7 | 21% | 0.209 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 8.7 | 176.7 | -53.5 | -27.7 | 0 | 0 | 0 | 116.5 | M593 H597 L598 Y599 | M593-D595 PolarHBondContact O-N 2.79Å; D595-H597 PolarHBondContact O-N 3.26Å; D595-H597 VanDerWaalsContact O-N 3.08Å; D595-L598 HydrophobicContact CB-CD1 3.95Å; D595-L598 HydrophobicContact CB-CG 4.33Å; D595-L598 WeakPolarHBondContact O-CB 3.2Å; D595-L598 PolarHBondContact O-N 3.15Å; D595-Y599 HydrophobicContact CB-CE2 4.49Å; D595-Y599 VanDerWaalsContact O-CD2 3.3Å; D595-Y599 WeakPolarHBondContact O-CD2 3.45Å; D595-Y599 WeakPolarHBondContact O-CE2 3.42Å |
| 596 | Y | 95.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -53.8 | -37.9 | -177.1 | 84.3 | -81.7 | 0 | 0 | 0 | 112.8 | M593 K594 L598 Y599 L600 F618 F647 I648 R651 F666 D667 | M593-Y596 HydrophobicContact CB-CD1 4.29Å; M593-Y596 HydrophobicContact CE-CD2 4.36Å; M593-Y596 HydrophobicContact CE-CG 4.07Å; M593-Y596 WeakPolarHBondContact O-CB 3.23Å; M593-Y596 WeakPolarHBondContact O-CD1 3.45Å; M593-Y596 PolarHBondContact O-N 2.93Å; M593-Y596 VanDerWaalsContact O-N 3.16Å; K594-Y596 PolarHBondContact O-N 3.41Å; Y596-L598 PolarHBondContact O-N 2.81Å; Y596-Y599 WeakPolarHBondContact O-CB 3.43Å; Y596-Y599 PolarHBondContact O-N 3.49Å; Y596-L600 HydrophobicContact CE2-CD1 4.43Å; Y596-F618 HydrophobicContact CD2-CE2 4.49Å; Y596-F618 VanDerWaalsContact O-CE2 3.27Å; Y596-F618 WeakPolarHBondContact O-CE2 3.41Å; Y596-F647 AromaticContact CD2-CE1 3.66Å; Y596-F647 HydrophobicContact CD2-CE1 3.66Å; Y596-F647 AromaticContact CD2-CZ 3.97Å; Y596-F647 HydrophobicContact CD2-CZ 3.97Å; Y596-F647 HydrophobicContact CE1-CZ 4.11Å; Y596-F647 AromaticContact CE2-CE1 3.47Å; Y596-F647 HydrophobicContact CE2-CE1 3.47Å; Y596-F647 VanDerWaalsContact CE2-CE1 3.47Å; Y596-F647 AromaticContact CE2-CZ 3.38Å; Y596-F647 HydrophobicContact CE2-CZ 3.38Å; Y596-F647 HydrophobicContact CG-CE1 4.35Å; Y596-F647 AromaticContact CZ-CZ 3.44Å; Y596-F647 VanDerWaalsContact CZ-CZ 3.44Å; Y596-I648 HydrophobicContact CD2-CD1 4.32Å; Y596-R651 HydrophobicContact CE2-CG 4.07Å; Y596-R651 PolarHBondContact OH-NE 2.99Å; Y596-F666 HydrophobicContact CE1-CD1 4.29Å; Y596-F666 HydrophobicContact CE1-CE1 4.06Å; Y596-D667 PolarHBondContact OH-OD1 2.91Å |
| 597 | H | 92.4 | Very high | 92.6 | Very high | 30 Ų | 30 | 40.2 Ų | 40.2 | 14% | 0.139 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -59.5 | -26.3 | 179.6 | 64.6 | -84.9 | 0 | 0 | 0 | 114.1 | D595 Y599 L600 R859 | D595-H597 PolarHBondContact O-N 3.26Å; D595-H597 VanDerWaalsContact O-N 3.08Å; H597-Y599 PolarHBondContact O-N 2.85Å; H597-L600 HydrophobicContact CB-CD1 4.23Å; H597-L600 WeakPolarHBondContact O-CB 3.35Å; H597-L600 PolarHBondContact O-N 3.04Å; H597-R859 PolarHBondContact CD2-NE 3.28Å; H597-R859 VanDerWaalsContact CD2-NE 3.27Å; H597-R859 PolarHBondContact CD2-NH2 3.32Å; H597-R859 VanDerWaalsContact CE1-CZ 3.45Å; H597-R859 PolarHBondContact CE1-NH1 3.4Å; H597-R859 VanDerWaalsContact CE1-NH1 3.27Å; H597-R859 PolarHBondContact CE1-NH2 3.29Å; H597-R859 PolarHBondContact ND1-NH2 3.43Å; H597-R859 PolarHBondContact NE2-NH1 3.05Å; H597-R859 PolarHBondContact NE2-NH2 3.31Å |
| 598 | L | 93.4 | Very high | 92.1 | Very high | 114 Ų | 114 | 44.1 Ų | 44.1 | 60% | 0.597 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -66.9 | -18.7 | 175.8 | -61.6 | -177.6 | 0 | 0 | 0 | 112.2 | D595 Y596 | D595-L598 HydrophobicContact CB-CD1 3.95Å; D595-L598 HydrophobicContact CB-CG 4.33Å; D595-L598 WeakPolarHBondContact O-CB 3.2Å; D595-L598 PolarHBondContact O-N 3.15Å; Y596-L598 PolarHBondContact O-N 2.81Å |
| 599 | Y | 96.8 | Very high | 91.4 | Very high | 42 Ų | 42 | 52.5 Ų | 52.5 | 17% | 0.165 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -100.6 | 0.7 | -180 | -53.8 | -79.4 | 0 | 0 | 0 | 112.3 | D595 Y596 H597 F618 D619 G622 F623 S626 | D595-Y599 HydrophobicContact CB-CE2 4.49Å; D595-Y599 VanDerWaalsContact O-CD2 3.3Å; D595-Y599 WeakPolarHBondContact O-CD2 3.45Å; D595-Y599 WeakPolarHBondContact O-CE2 3.42Å; Y596-Y599 WeakPolarHBondContact O-CB 3.43Å; Y596-Y599 PolarHBondContact O-N 3.49Å; H597-Y599 PolarHBondContact O-N 2.85Å; Y599-F618 CarbonylContact O-C 3.55Å; Y599-F618 VanDerWaalsContact O-CA 3.32Å; Y599-F618 WeakPolarHBondContact O-CA 3.32Å; Y599-F618 WeakPolarHBondContact O-CD2 3.21Å; Y599-D619 HydrophobicContact CD1-CB 4.27Å; Y599-D619 PolarHBondContact O-N 3.45Å; Y599-G622 VanDerWaalsContact CE1-O 3.32Å; Y599-G622 WeakPolarHBondContact CE1-O 3.29Å; Y599-F623 HydrophobicContact CD1-CB 4.16Å; Y599-F623 VanDerWaalsContact CD1-N 3.34Å; Y599-F623 HydrophobicContact CD2-CB 3.95Å; Y599-F623 AromaticContact CD2-CD2 3.55Å; Y599-F623 HydrophobicContact CD2-CD2 3.55Å; Y599-F623 HydrophobicContact CD2-CG 4.21Å; Y599-F623 HydrophobicContact CE2-CB 4.37Å; Y599-F623 AromaticContact CE2-CD2 3.72Å; Y599-F623 HydrophobicContact CE2-CD2 3.72Å; Y599-F623 HydrophobicContact CG-CB 3.83Å; Y599-F623 HydrophobicContact CG-CD2 4.29Å; Y599-S626 WeakPolarHBondContact OH-CB 3.27Å; Y599-S626 PolarHBondContact OH-OG 3.33Å; Y599-S626 VanDerWaalsContact OH-OG 3.11Å |
| 600 | L | 95.5 | Very high | 90.8 | Very high | 19 Ų | 19 | 53.6 Ų | 53.6 | 10% | 0.099 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -68.3 | 135.2 | 170.3 | -70.1 | 169.8 | 0 | 0 | 0 | 110.2 | Y596 H597 P602 F618 I648 R651 Y865 | Y596-L600 HydrophobicContact CE2-CD1 4.43Å; H597-L600 HydrophobicContact CB-CD1 4.23Å; H597-L600 WeakPolarHBondContact O-CB 3.35Å; H597-L600 PolarHBondContact O-N 3.04Å; L600-P602 WeakPolarHBondContact O-CD 3.43Å; L600-F618 HydrophobicContact CD2-CD2 4.07Å; L600-I648 HydrophobicContact CD2-CD1 4.31Å; L600-I648 HydrophobicContact CD2-CG2 4.37Å; L600-R651 HydrophobicContact CD1-CG 4.1Å; L600-Y865 HydrophobicContact CB-CE2 4.47Å |
| 601 | R | 93.9 | Very high | 90.3 | Very high | 107 Ų | 107 | 54.5 Ų | 54.5 | 40% | 0.404 | 30% | 0.299 | S | S | . | . | trans | -108.4 | 104 | 179.2 | -68 | 179 | 173.8 | 179 | -2.5 | 109.2 | E615 A616 L617 D619 Y865 | R601-E615 PolarHBondContact NH1-O 2.85Å; R601-A616 WeakPolarHBondContact CB-O 3.49Å; R601-L617 PolarHBondContact N-O 2.56Å; R601-D619 IonicContact NH2-OD1 2.78Å; R601-D619 PolarHBondContact NH2-OD1 3.14Å; R601-Y865 PolarHBondContact O-OH 2.84Å | ||
| 602 | P | 92 | Very high | 89.8 | Confident | 33 Ų | 33 | 56.2 Ų | 56.2 | 21% | 0.214 | 31% | 0.31 | C | S | . | . | trans | -69.2 | 142.9 | 177.1 | 27.2 | -33.4 | 0 | 0 | 0 | 110 | L600 K604 F850 Y865 Y868 | L600-P602 WeakPolarHBondContact O-CD 3.43Å; P602-K604 PolarHBondContact O-N 3.31Å; P602-F850 HydrophobicContact CB-CD1 4.5Å; P602-F850 HydrophobicContact CB-CE1 3.71Å; P602-F850 HydrophobicContact CB-CZ 3.95Å; P602-F850 HydrophobicContact CG-CE1 3.81Å; P602-F850 HydrophobicContact CG-CZ 4.34Å; P602-Y865 VanDerWaalsContact CA-OH 3.27Å; P602-Y865 WeakPolarHBondContact CA-OH 3.25Å; P602-Y865 HydrophobicContact CB-CE2 4.12Å; P602-Y865 VanDerWaalsContact N-OH 3.12Å; P602-Y868 HydrophobicContact CB-CD1 4.42Å; P602-Y868 HydrophobicContact CB-CE1 3.71Å | ||
| 603 | I | 90 | Very high | 89.6 | Confident | 15 Ų | 15 | 60.9 Ų | 60.9 | 8% | 0.077 | 34% | 0.335 | C | S | . | . | trans | -72.2 | 113.5 | 177.3 | -56.9 | 176.3 | 0 | 0 | 0 | 108 | S605 L617 F653 Y868 N869 V872 L873 | I603-S605 WeakPolarHBondContact CG2-O 3.49Å; I603-L617 HydrophobicContact CD1-CD2 4.21Å; I603-L617 HydrophobicContact CG1-CD2 4.22Å; I603-F653 HydrophobicContact CD1-CE1 4.2Å; I603-F653 HydrophobicContact CD1-CZ 4.36Å; I603-Y868 WeakPolarHBondContact O-CE1 3.16Å; I603-Y868 PolarHBondContact O-OH 3.3Å; I603-N869 PolarHBondContact N-OD1 3.41Å; I603-V872 HydrophobicContact CB-CG1 4.14Å; I603-V872 HydrophobicContact CG2-CG1 3.72Å; I603-L873 HydrophobicContact CD1-CD1 3.91Å; I603-L873 HydrophobicContact CD1-CD2 3.61Å; I603-L873 HydrophobicContact CD1-CG 3.7Å | ||
| 604 | K | 88.6 | Confident | 89.4 | Confident | 133 Ų | 133 | 62.6 Ų | 62.6 | 58% | 0.578 | 34% | 0.344 | S | S | * | . | trans | -107.8 | -7.1 | -177 | -65.9 | 179.8 | -173.8 | -179.3 | 0 | 113.8 | P602 W877 | P602-K604 PolarHBondContact O-N 3.31Å; K604-W877 WeakPolarHBondContact O-CH2 3.34Å | ||
| 605 | S | 85 | Confident | 89.3 | Confident | 80 Ų | 80 | 66 Ų | 66 | 56% | 0.559 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -131 | 168.3 | -175.1 | 56.3 | 0 | 0 | 0 | 0 | 111.3 | I603 W877 | I603-S605 WeakPolarHBondContact CG2-O 3.49Å; S605-W877 WeakPolarHBondContact O-CZ2 3.18Å |
| 606 | A | 83.2 | Confident | 89.3 | Confident | 41 Ų | 41 | 66.2 Ų | 66.2 | 34% | 0.339 | 37% | 0.368 | S | S | . | . | trans | -55.3 | 135.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | W877 | A606-W877 HydrophobicContact CB-CB 3.91Å; A606-W877 HydrophobicContact CB-CD2 3.74Å; A606-W877 HydrophobicContact CB-CE3 4.19Å; A606-W877 HydrophobicContact CB-CG 3.61Å | ||
| 607 | P | 83.4 | Confident | 89.2 | Confident | 60 Ų | 60 | 66.4 Ų | 66.4 | 39% | 0.39 | 37% | 0.369 | S | S | . | . | trans | -66.5 | 134.8 | -177.3 | 23.3 | -30.9 | 0 | 0 | 0 | 112.2 | L873 | P607-L873 HydrophobicContact CB-CD2 3.6Å; P607-L873 HydrophobicContact CG-CD2 4Å | ||
| 608 | S | 83.9 | Confident | 89.4 | Confident | 88 Ų | 88 | 65 Ų | 65 | 62% | 0.615 | 36% | 0.362 | S | S | * | . | trans | -110.6 | 170.9 | 165.9 | 61.8 | 0 | 0 | 0 | 0 | 111.4 | G610 S611 | S608-G610 PolarHBondContact O-N 3.17Å; S608-S611 PolarHBondContact N-OG 3.41Å; S608-S611 VanDerWaalsContact O-CB 3.32Å; S608-S611 WeakPolarHBondContact O-CB 3.34Å; S608-S611 PolarHBondContact O-N 2.98Å; S608-S611 PolarHBondContact O-OG 3.35Å; S608-S611 PolarHBondContact OG-OG 3.21Å | ||
| 609 | I | 82.3 | Confident | 89.6 | Confident | 181 Ų | 181 | 61.4 Ų | 61.4 | 93% | 0.928 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 131.5 | 168.8 | -58.4 | 170.2 | 0 | 0 | 0 | 108.5 | ||
| 610 | G | 84.4 | Confident | 89.6 | Confident | 23 Ų | 23 | 60.5 Ų | 60.5 | 24% | 0.237 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | 3.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | S608 T612 D613 A616 | S608-G610 PolarHBondContact O-N 3.17Å; G610-T612 PolarHBondContact O-N 2.96Å; G610-T612 VanDerWaalsContact O-N 3.1Å; G610-D613 VanDerWaalsContact CA-CG 3.47Å; G610-D613 WeakPolarHBondContact CA-OD2 3.32Å; G610-D613 WeakPolarHBondContact O-CB 3.45Å; G610-D613 PolarHBondContact O-N 3.49Å; G610-A616 WeakPolarHBondContact O-CB 3.39Å |
| 611 | S | 83.9 | Confident | 89.6 | Confident | 20 Ų | 20 | 64.4 Ų | 64.4 | 14% | 0.14 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -17.6 | 176.9 | -59.1 | 0 | 0 | 0 | 0 | 113.8 | S608 L617 | S608-S611 PolarHBondContact N-OG 3.41Å; S608-S611 VanDerWaalsContact O-CB 3.32Å; S608-S611 WeakPolarHBondContact O-CB 3.34Å; S608-S611 PolarHBondContact O-N 2.98Å; S608-S611 PolarHBondContact O-OG 3.35Å; S608-S611 PolarHBondContact OG-OG 3.21Å; S611-L617 WeakPolarHBondContact O-CD2 3.26Å |
| 612 | T | 85.2 | Confident | 89.7 | Confident | 78 Ų | 78 | 59.7 Ų | 59.7 | 48% | 0.479 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 3.4 | 178.5 | 56.4 | 0 | 0 | 0 | 0 | 112.6 | G610 L617 F653 L873 | G610-T612 PolarHBondContact O-N 2.96Å; G610-T612 VanDerWaalsContact O-N 3.1Å; T612-L617 VanDerWaalsContact O-CD1 3.29Å; T612-L617 WeakPolarHBondContact O-CD1 3.41Å; T612-F653 HydrophobicContact CG2-CE2 4.25Å; T612-F653 HydrophobicContact CG2-CZ 3.86Å; T612-L873 HydrophobicContact CG2-CD1 4.35Å |
| 613 | D | 90.3 | Very high | 89.9 | Confident | 99 Ų | 99 | 58.1 Ų | 58.1 | 53% | 0.529 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -72.9 | 154.6 | 177.9 | -62.9 | -12 | 0 | 0 | 0 | 110.2 | G610 E615 A616 L617 | G610-D613 VanDerWaalsContact CA-CG 3.47Å; G610-D613 WeakPolarHBondContact CA-OD2 3.32Å; G610-D613 WeakPolarHBondContact O-CB 3.45Å; G610-D613 PolarHBondContact O-N 3.49Å; D613-E615 VanDerWaalsContact C-N 3.31Å; D613-E615 PolarHBondContact O-N 3.26Å; D613-A616 WeakPolarHBondContact O-CB 3.31Å; D613-A616 PolarHBondContact O-N 2.97Å; D613-L617 WeakPolarHBondContact O-CG 3.43Å; D613-L617 PolarHBondContact O-N 3.47Å; D613-L617 VanDerWaalsContact O-N 3.09Å |
| 614 | L | 91.4 | Very high | 90.2 | Very high | 35 Ų | 35 | 58.9 Ų | 58.9 | 18% | 0.183 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -52.2 | -47.2 | -177.1 | 178.3 | 67.4 | 0 | 0 | 0 | 112.4 | A616 L617 F618 V620 I639 F644 I645 I648 | L614-A616 PolarHBondContact O-N 2.99Å; L614-L617 PolarHBondContact O-N 3.32Å; L614-F618 HydrophobicContact CD1-CB 4.06Å; L614-F618 WeakPolarHBondContact O-CB 3.5Å; L614-F618 PolarHBondContact O-N 3.26Å; L614-V620 HydrophobicContact CD2-CG2 4Å; L614-V620 HydrophobicContact CG-CG2 4.15Å; L614-I639 HydrophobicContact CD2-CG2 4.11Å; L614-F644 HydrophobicContact CD1-CD1 4.42Å; L614-F644 HydrophobicContact CD1-CE1 4.28Å; L614-I645 HydrophobicContact CD2-CG1 4.01Å; L614-I648 HydrophobicContact CD1-CB 3.96Å; L614-I648 HydrophobicContact CD1-CG1 3.95Å; L614-I648 HydrophobicContact CD1-CG2 3.94Å |
| 615 | E | 92.1 | Very high | 90.5 | Very high | 150 Ų | 150 | 61 Ų | 61 | 70% | 0.701 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -67.5 | -25 | -177.3 | -62.2 | -170.3 | 167.2 | 0 | 0 | 113.3 | R601 D613 | R601-E615 PolarHBondContact NH1-O 2.85Å; D613-E615 VanDerWaalsContact C-N 3.31Å; D613-E615 PolarHBondContact O-N 3.26Å |
| 616 | A | 92.3 | Very high | 91 | Very high | 43 Ų | 43 | 59.6 Ų | 59.6 | 36% | 0.355 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -77 | -37.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | R601 G610 D613 L614 | R601-A616 WeakPolarHBondContact CB-O 3.49Å; G610-A616 WeakPolarHBondContact O-CB 3.39Å; D613-A616 WeakPolarHBondContact O-CB 3.31Å; D613-A616 PolarHBondContact O-N 2.97Å; L614-A616 PolarHBondContact O-N 2.99Å |
| 617 | L | 93.8 | Very high | 91.5 | Very high | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.016 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -89.6 | -17.6 | -177.2 | -60.7 | 177.3 | 0 | 0 | 0 | 114.1 | R601 I603 S611 T612 D613 L614 I648 F653 | R601-L617 PolarHBondContact N-O 2.56Å; I603-L617 HydrophobicContact CD1-CD2 4.21Å; I603-L617 HydrophobicContact CG1-CD2 4.22Å; S611-L617 WeakPolarHBondContact O-CD2 3.26Å; T612-L617 VanDerWaalsContact O-CD1 3.29Å; T612-L617 WeakPolarHBondContact O-CD1 3.41Å; D613-L617 WeakPolarHBondContact O-CG 3.43Å; D613-L617 PolarHBondContact O-N 3.47Å; D613-L617 VanDerWaalsContact O-N 3.09Å; L614-L617 PolarHBondContact O-N 3.32Å; L617-I648 HydrophobicContact CB-CG2 4.2Å; L617-F653 HydrophobicContact CD1-CE2 3.54Å; L617-F653 HydrophobicContact CD1-CZ 3.84Å; L617-F653 HydrophobicContact CD2-CE2 4.44Å; L617-F653 HydrophobicContact CD2-CZ 3.89Å |
| 618 | F | 97 | Very high | 92 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 0% | 0.004 | 33% | 0.332 | C | S | . | . | B | Isolated β-bridge | trans | -147.3 | 132.2 | -172.2 | -167 | -101.8 | 0 | 0 | 0 | 113.1 | Y596 Y599 L600 L614 V620 F623 F644 I648 | Y596-F618 HydrophobicContact CD2-CE2 4.49Å; Y596-F618 VanDerWaalsContact O-CE2 3.27Å; Y596-F618 WeakPolarHBondContact O-CE2 3.41Å; Y599-F618 CarbonylContact O-C 3.55Å; Y599-F618 VanDerWaalsContact O-CA 3.32Å; Y599-F618 WeakPolarHBondContact O-CA 3.32Å; Y599-F618 WeakPolarHBondContact O-CD2 3.21Å; L600-F618 HydrophobicContact CD2-CD2 4.07Å; L614-F618 HydrophobicContact CD1-CB 4.06Å; L614-F618 WeakPolarHBondContact O-CB 3.5Å; L614-F618 PolarHBondContact O-N 3.26Å; F618-V620 VanDerWaalsContact C-N 3.32Å; F618-V620 HydrophobicContact CD1-CG2 3.97Å; F618-V620 PolarHBondContact O-N 3.07Å; F618-F623 HydrophobicContact CE1-CB 3.62Å; F618-F623 AromaticContact CE1-CD1 3.97Å; F618-F623 HydrophobicContact CE1-CD1 3.97Å; F618-F623 AromaticContact CE1-CG 3.84Å; F618-F623 HydrophobicContact CE1-CG 3.84Å; F618-F623 HydrophobicContact CZ-CB 3.81Å; F618-F623 HydrophobicContact CZ-CD1 4.07Å; F618-F623 HydrophobicContact CZ-CD2 4.09Å; F618-F623 AromaticContact CZ-CG 3.73Å; F618-F623 HydrophobicContact CZ-CG 3.73Å; F618-F644 HydrophobicContact CD1-CE1 4.14Å; F618-F644 HydrophobicContact CD1-CZ 4.28Å; F618-F644 AromaticContact CE1-CE1 3.99Å; F618-F644 HydrophobicContact CE1-CE1 3.99Å; F618-F644 AromaticContact CE1-CZ 3.68Å; F618-F644 HydrophobicContact CE1-CZ 3.68Å; F618-F644 AromaticContact CZ-CZ 3.88Å; F618-F644 HydrophobicContact CZ-CZ 3.88Å; F618-I648 HydrophobicContact CB-CG2 3.96Å; F618-I648 HydrophobicContact CD2-CD1 3.6Å; F618-I648 HydrophobicContact CD2-CG1 4.26Å; F618-I648 HydrophobicContact CD2-CG2 4.49Å; F618-I648 HydrophobicContact CE2-CD1 3.71Å; F618-I648 HydrophobicContact CG-CD1 4.16Å; F618-I648 HydrophobicContact CG-CG1 4.34Å; F618-I648 HydrophobicContact CG-CG2 4.48Å; F618-I648 HydrophobicContact CZ-CD1 4.39Å |
| 619 | D | 97.2 | Very high | 92.4 | Very high | 38 Ų | 38 | 65.6 Ų | 65.6 | 20% | 0.203 | 34% | 0.342 | C | S | . | . | trans | -78.6 | 78.6 | 173.2 | -175.6 | 16.2 | 0 | 0 | 0 | 111.7 | Y599 R601 N621 G622 F623 | Y599-D619 HydrophobicContact CD1-CB 4.27Å; Y599-D619 PolarHBondContact O-N 3.45Å; R601-D619 IonicContact NH2-OD1 2.78Å; R601-D619 PolarHBondContact NH2-OD1 3.14Å; D619-N621 VanDerWaalsContact C-N 3.28Å; D619-N621 PolarHBondContact O-N 3.47Å; D619-G622 PolarHBondContact O-N 3.17Å; D619-G622 PolarHBondContact OD1-N 3.35Å; D619-G622 WeakPolarHBondContact OD2-CA 3.42Å; D619-G622 PolarHBondContact OD2-N 3.27Å; D619-F623 PolarHBondContact O-N 3.12Å | ||
| 620 | V | 95.8 | Very high | 92.8 | Very high | 24 Ų | 24 | 60 Ų | 60 | 15% | 0.145 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -52.9 | -45.1 | 178.4 | 172.5 | 0 | 0 | 0 | 0 | 112 | L614 F618 F623 L624 I639 | L614-V620 HydrophobicContact CD2-CG2 4Å; L614-V620 HydrophobicContact CG-CG2 4.15Å; F618-V620 VanDerWaalsContact C-N 3.32Å; F618-V620 HydrophobicContact CD1-CG2 3.97Å; F618-V620 PolarHBondContact O-N 3.07Å; V620-F623 PolarHBondContact O-N 3Å; V620-L624 HydrophobicContact CG1-CD1 3.99Å; V620-L624 WeakPolarHBondContact O-CB 3.36Å; V620-L624 WeakPolarHBondContact O-CG 3.46Å; V620-L624 PolarHBondContact O-N 3.19Å; V620-I639 HydrophobicContact CG1-CD1 4.26Å; V620-I639 HydrophobicContact CG1-CG2 3.91Å; V620-I639 HydrophobicContact CG2-CG2 4.15Å |
| 621 | N | 95.7 | Very high | 93.3 | Very high | 101 Ų | 101 | 59 Ų | 59 | 54% | 0.54 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69.7 | -40.8 | -176.9 | -72.2 | -46.1 | 0 | 0 | 0 | 111.9 | D619 R625 | D619-N621 VanDerWaalsContact C-N 3.28Å; D619-N621 PolarHBondContact O-N 3.47Å; N621-R625 WeakPolarHBondContact O-CB 3.37Å; N621-R625 VanDerWaalsContact O-CG 3.32Å; N621-R625 WeakPolarHBondContact O-CG 3.36Å; N621-R625 PolarHBondContact O-N 2.92Å; N621-R625 VanDerWaalsContact O-N 3.1Å; N621-R625 PolarHBondContact O-NE 3.12Å |
| 622 | G | 96.5 | Very high | 93.8 | Very high | 7 Ų | 7 | 60.1 Ų | 60.1 | 7% | 0.072 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y599 D619 R625 S626 | Y599-G622 VanDerWaalsContact CE1-O 3.32Å; Y599-G622 WeakPolarHBondContact CE1-O 3.29Å; D619-G622 PolarHBondContact O-N 3.17Å; D619-G622 PolarHBondContact OD1-N 3.35Å; D619-G622 WeakPolarHBondContact OD2-CA 3.42Å; D619-G622 PolarHBondContact OD2-N 3.27Å; G622-R625 PolarHBondContact O-N 3.26Å; G622-S626 PolarHBondContact O-N 3.19Å |
| 623 | F | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.8 | -45.8 | 179.6 | -176.7 | -114.7 | 0 | 0 | 0 | 111.9 | Y599 F618 D619 V620 R625 S626 Y635 I639 F644 | Y599-F623 HydrophobicContact CD1-CB 4.16Å; Y599-F623 VanDerWaalsContact CD1-N 3.34Å; Y599-F623 HydrophobicContact CD2-CB 3.95Å; Y599-F623 AromaticContact CD2-CD2 3.55Å; Y599-F623 HydrophobicContact CD2-CD2 3.55Å; Y599-F623 HydrophobicContact CD2-CG 4.21Å; Y599-F623 HydrophobicContact CE2-CB 4.37Å; Y599-F623 AromaticContact CE2-CD2 3.72Å; Y599-F623 HydrophobicContact CE2-CD2 3.72Å; Y599-F623 HydrophobicContact CG-CB 3.83Å; Y599-F623 HydrophobicContact CG-CD2 4.29Å; F618-F623 HydrophobicContact CE1-CB 3.62Å; F618-F623 AromaticContact CE1-CD1 3.97Å; F618-F623 HydrophobicContact CE1-CD1 3.97Å; F618-F623 AromaticContact CE1-CG 3.84Å; F618-F623 HydrophobicContact CE1-CG 3.84Å; F618-F623 HydrophobicContact CZ-CB 3.81Å; F618-F623 HydrophobicContact CZ-CD1 4.07Å; F618-F623 HydrophobicContact CZ-CD2 4.09Å; F618-F623 AromaticContact CZ-CG 3.73Å; F618-F623 HydrophobicContact CZ-CG 3.73Å; D619-F623 PolarHBondContact O-N 3.12Å; V620-F623 PolarHBondContact O-N 3Å; F623-R625 VanDerWaalsContact C-N 3.32Å; F623-R625 PolarHBondContact O-N 3.3Å; F623-S626 PolarHBondContact O-N 3.4Å; F623-S626 PolarHBondContact O-OG 3.11Å; F623-Y635 AromaticContact CE1-CD1 3.96Å; F623-Y635 HydrophobicContact CE1-CD1 3.96Å; F623-Y635 HydrophobicContact CE1-CE1 4.21Å; F623-Y635 HydrophobicContact CZ-CD1 4.35Å; F623-Y635 HydrophobicContact CZ-CE1 4.12Å; F623-I639 HydrophobicContact CD1-CD1 3.77Å; F623-I639 HydrophobicContact CD1-CG1 4.41Å; F623-I639 HydrophobicContact CE1-CD1 4.26Å; F623-F644 HydrophobicContact CD1-CZ 4.46Å; F623-F644 HydrophobicContact CE1-CE2 4.25Å; F623-F644 HydrophobicContact CE1-CZ 4.34Å |
| 624 | L | 95.7 | Very high | 94.6 | Very high | 31 Ų | 31 | 56.2 Ų | 56.2 | 16% | 0.162 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.1 | -38.8 | 176.6 | -77.1 | 173.4 | 0 | 0 | 0 | 112.9 | V620 S626 R627 R636 I639 | V620-L624 HydrophobicContact CG1-CD1 3.99Å; V620-L624 WeakPolarHBondContact O-CB 3.36Å; V620-L624 WeakPolarHBondContact O-CG 3.46Å; V620-L624 PolarHBondContact O-N 3.19Å; L624-S626 VanDerWaalsContact C-N 3.28Å; L624-S626 PolarHBondContact O-N 3.5Å; L624-R627 PolarHBondContact O-N 3.4Å; L624-R636 HydrophobicContact CD1-CG 4.44Å; L624-R636 HydrophobicContact CD2-CG 4.17Å; L624-I639 HydrophobicContact CD1-CD1 4.22Å; L624-I639 HydrophobicContact CD2-CD1 3.51Å; L624-I639 HydrophobicContact CG-CD1 3.6Å |
| 625 | R | 95.6 | Very high | 94.9 | Very high | 177 Ų | 177 | 55 Ų | 55 | 67% | 0.668 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -67.9 | -24.9 | 178.2 | -77.1 | -172.7 | -62.8 | -105.3 | -0.8 | 113.5 | N621 G622 F623 R627 | N621-R625 WeakPolarHBondContact O-CB 3.37Å; N621-R625 VanDerWaalsContact O-CG 3.32Å; N621-R625 WeakPolarHBondContact O-CG 3.36Å; N621-R625 PolarHBondContact O-N 2.92Å; N621-R625 VanDerWaalsContact O-N 3.1Å; N621-R625 PolarHBondContact O-NE 3.12Å; G622-R625 PolarHBondContact O-N 3.26Å; F623-R625 VanDerWaalsContact C-N 3.32Å; F623-R625 PolarHBondContact O-N 3.3Å; R625-R627 VanDerWaalsContact C-N 3.29Å |
| 626 | S | 94.7 | Very high | 95.2 | Very high | 52 Ų | 52 | 53 Ų | 53 | 36% | 0.364 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -10.6 | 177.1 | 68.2 | 0 | 0 | 0 | 0 | 114 | Y599 G622 F623 L624 | Y599-S626 WeakPolarHBondContact OH-CB 3.27Å; Y599-S626 PolarHBondContact OH-OG 3.33Å; Y599-S626 VanDerWaalsContact OH-OG 3.11Å; G622-S626 PolarHBondContact O-N 3.19Å; F623-S626 PolarHBondContact O-N 3.4Å; F623-S626 PolarHBondContact O-OG 3.11Å; L624-S626 VanDerWaalsContact C-N 3.28Å; L624-S626 PolarHBondContact O-N 3.5Å |
| 627 | R | 94.5 | Very high | 95.4 | Very high | 28 Ų | 28 | 53.9 Ų | 53.9 | 11% | 0.106 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -87.2 | 148.2 | 177.4 | -53 | -58.9 | 106.7 | 168.5 | 7.6 | 111.1 | K594 L624 R625 Y635 | K594-R627 PolarHBondContact O-NH1 2.99Å; K594-R627 PolarHBondContact O-NH2 3.19Å; L624-R627 PolarHBondContact O-N 3.4Å; R625-R627 VanDerWaalsContact C-N 3.29Å; R627-Y635 HydrophobicContact CB-CD2 3.72Å; R627-Y635 HydrophobicContact CB-CE2 3.86Å; R627-Y635 HydrophobicContact CB-CG 4.43Å; R627-Y635 VanDerWaalsContact CD-CE2 3.47Å; R627-Y635 VanDerWaalsContact CD-CZ 3.4Å; R627-Y635 HydrophobicContact CG-CD1 4.17Å; R627-Y635 HydrophobicContact CG-CD2 3.49Å; R627-Y635 VanDerWaalsContact CG-CD2 3.49Å; R627-Y635 HydrophobicContact CG-CE1 4.23Å; R627-Y635 HydrophobicContact CG-CE2 3.57Å; R627-Y635 HydrophobicContact CG-CG 3.81Å |
| 628 | D | 92.4 | Very high | 95.5 | Very high | 98 Ų | 98 | 53.8 Ų | 53.8 | 52% | 0.524 | 27% | 0.274 | S | S | . | . | trans | -63.9 | 146.4 | 176.5 | 68.3 | -76.9 | 0 | 0 | 0 | 111.6 | G630 S631 Q632 | D628-G630 PolarHBondContact O-N 2.76Å; D628-G630 PolarHBondContact OD2-N 3.11Å; D628-S631 PolarHBondContact O-N 3.12Å; D628-S631 PolarHBondContact O-OG 2.96Å; D628-S631 VanDerWaalsContact O-OG 3.05Å; D628-S631 WeakPolarHBondContact OD1-CB 3.48Å; D628-S631 PolarHBondContact OD1-OG 3.1Å; D628-S631 PolarHBondContact OD2-N 3.08Å; D628-S631 PolarHBondContact OD2-OG 3.12Å; D628-Q632 PolarHBondContact O-N 3.36Å | ||
| 629 | K | 92.1 | Very high | 95.5 | Very high | 188 Ų | 188 | 53.9 Ų | 53.9 | 82% | 0.817 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -31.4 | -175.9 | -68.9 | -176.6 | -179.7 | 178.8 | 0 | 113.3 | S631 | K629-S631 VanDerWaalsContact C-N 3.33Š|
| 630 | G | 91.3 | Very high | 95.4 | Very high | 64 Ų | 64 | 58.3 Ų | 58.3 | 66% | 0.66 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -19.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | D628 | D628-G630 PolarHBondContact O-N 2.76Å; D628-G630 PolarHBondContact OD2-N 3.11Å |
| 631 | S | 94.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.007 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -7.1 | 178.7 | 66 | 0 | 0 | 0 | 0 | 113.6 | D628 K629 D633 F634 Y635 | D628-S631 PolarHBondContact O-N 3.12Å; D628-S631 PolarHBondContact O-OG 2.96Å; D628-S631 VanDerWaalsContact O-OG 3.05Å; D628-S631 WeakPolarHBondContact OD1-CB 3.48Å; D628-S631 PolarHBondContact OD1-OG 3.1Å; D628-S631 PolarHBondContact OD2-N 3.08Å; D628-S631 PolarHBondContact OD2-OG 3.12Å; K629-S631 VanDerWaalsContact C-N 3.33Å; S631-D633 VanDerWaalsContact C-N 3.27Å; S631-D633 PolarHBondContact O-N 3.26Å; S631-F634 WeakPolarHBondContact O-CB 3.35Å; S631-F634 PolarHBondContact O-N 3.01Å; S631-F634 VanDerWaalsContact O-N 3.08Å; S631-Y635 VanDerWaalsContact O-CD2 3.25Å; S631-Y635 WeakPolarHBondContact O-CD2 3.38Å; S631-Y635 PolarHBondContact O-N 2.77Å; S631-Y635 VanDerWaalsContact O-N 3.13Å; S631-Y635 WeakPolarHBondContact OG-CE2 2.99Å |
| 632 | Q | 95 | Very high | 95.4 | Very high | 44 Ų | 44 | 57.7 Ų | 57.7 | 21% | 0.206 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.3 | -35.7 | -176.4 | -76.9 | -175.1 | 0 | 0 | 0 | 113.8 | D628 F634 Y635 R636 | D628-Q632 PolarHBondContact O-N 3.36Å; Q632-F634 VanDerWaalsContact C-N 3.34Å; Q632-F634 PolarHBondContact O-N 3.09Å; Q632-Y635 PolarHBondContact O-N 3.16Å; Q632-R636 VanDerWaalsContact O-CG 3.31Å; Q632-R636 WeakPolarHBondContact O-CG 3.46Å; Q632-R636 PolarHBondContact O-N 3.34Å |
| 633 | D | 95.3 | Very high | 95.3 | Very high | 95 Ų | 95 | 57.4 Ų | 57.4 | 51% | 0.508 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.9 | -40.8 | 178.1 | -70.1 | -23.9 | 0 | 0 | 0 | 111.9 | L525 S631 R636 L637 | L525-D633 HydrophobicContact CD1-CB 4.29Å; S631-D633 VanDerWaalsContact C-N 3.27Å; S631-D633 PolarHBondContact O-N 3.26Å; D633-R636 PolarHBondContact O-N 3.48Å; D633-R636 IonicContact OD1-CZ 3.79Å; D633-R636 IonicContact OD1-NH1 3.65Å; D633-R636 PolarHBondContact OD1-NH1 3.11Å; D633-L637 WeakPolarHBondContact O-CG 3.5Å; D633-L637 PolarHBondContact O-N 2.57Å |
| 634 | F | 97.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.3 | -47.7 | 172.7 | 165.8 | -100.7 | 0 | 0 | 0 | 111.4 | L427 L430 L431 L525 L526 P527 I592 S631 Q632 R636 L637 L638 | L427-F634 HydrophobicContact CD1-CD2 4.14Å; L427-F634 HydrophobicContact CD1-CE2 4.11Å; L430-F634 HydrophobicContact CD1-CZ 4.4Å; L431-F634 HydrophobicContact CD2-CD2 4.38Å; L431-F634 HydrophobicContact CD2-CE2 4.34Å; L525-F634 HydrophobicContact CD1-CB 4.13Å; L525-F634 HydrophobicContact CG-CB 4.16Å; L525-F634 VanDerWaalsContact O-CB 3.31Å; L525-F634 WeakPolarHBondContact O-CB 3.45Å; L526-F634 HydrophobicContact CD2-CD2 4.39Å; L526-F634 HydrophobicContact CD2-CE2 3.91Å; L526-F634 HydrophobicContact CD2-CZ 4.36Å; P527-F634 HydrophobicContact CG-CD1 3.81Å; P527-F634 HydrophobicContact CG-CE1 4Å; I592-F634 HydrophobicContact CD1-CE1 4.47Å; I592-F634 HydrophobicContact CD1-CZ 4.31Å; S631-F634 WeakPolarHBondContact O-CB 3.35Å; S631-F634 PolarHBondContact O-N 3.01Å; S631-F634 VanDerWaalsContact O-N 3.08Å; Q632-F634 VanDerWaalsContact C-N 3.34Å; Q632-F634 PolarHBondContact O-N 3.09Å; F634-R636 PolarHBondContact O-N 2.78Å; F634-L637 PolarHBondContact O-N 3.07Å; F634-L638 HydrophobicContact CE1-CD2 3.97Å; F634-L638 HydrophobicContact CZ-CD2 4.02Å; F634-L638 WeakPolarHBondContact O-CB 3.47Å; F634-L638 PolarHBondContact O-N 3.06Å |
| 635 | Y | 97.9 | Very high | 95.3 | Very high | 9 Ų | 9 | 59.2 Ų | 59.2 | 4% | 0.035 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.4 | -34.9 | -179.2 | -76.1 | -74.3 | 0 | 0 | 0 | 113.3 | P527 I592 F623 R627 S631 Q632 L637 L638 I639 | P527-Y635 HydrophobicContact CG-CE2 4.23Å; I592-Y635 WeakPolarHBondContact CA-OH 3.42Å; I592-Y635 WeakPolarHBondContact O-CE1 3.38Å; I592-Y635 PolarHBondContact O-OH 3.19Å; F623-Y635 AromaticContact CE1-CD1 3.96Å; F623-Y635 HydrophobicContact CE1-CD1 3.96Å; F623-Y635 HydrophobicContact CE1-CE1 4.21Å; F623-Y635 HydrophobicContact CZ-CD1 4.35Å; F623-Y635 HydrophobicContact CZ-CE1 4.12Å; R627-Y635 HydrophobicContact CB-CD2 3.72Å; R627-Y635 HydrophobicContact CB-CE2 3.86Å; R627-Y635 HydrophobicContact CB-CG 4.43Å; R627-Y635 VanDerWaalsContact CD-CE2 3.47Å; R627-Y635 VanDerWaalsContact CD-CZ 3.4Å; R627-Y635 HydrophobicContact CG-CD1 4.17Å; R627-Y635 HydrophobicContact CG-CD2 3.49Å; R627-Y635 VanDerWaalsContact CG-CD2 3.49Å; R627-Y635 HydrophobicContact CG-CE1 4.23Å; R627-Y635 HydrophobicContact CG-CE2 3.57Å; R627-Y635 HydrophobicContact CG-CG 3.81Å; S631-Y635 VanDerWaalsContact O-CD2 3.25Å; S631-Y635 WeakPolarHBondContact O-CD2 3.38Å; S631-Y635 PolarHBondContact O-N 2.77Å; S631-Y635 VanDerWaalsContact O-N 3.13Å; S631-Y635 WeakPolarHBondContact OG-CE2 2.99Å; Q632-Y635 PolarHBondContact O-N 3.16Å; Y635-L637 VanDerWaalsContact C-N 3.3Å; Y635-L637 PolarHBondContact O-N 2.83Å; Y635-L638 HydrophobicContact CD1-CD2 4.32Å; Y635-L638 PolarHBondContact O-N 2.59Å; Y635-I639 WeakPolarHBondContact O-CB 3.49Å; Y635-I639 VanDerWaalsContact O-CG1 3.24Å; Y635-I639 WeakPolarHBondContact O-CG1 3.43Å; Y635-I639 PolarHBondContact O-N 3.04Å |
| 636 | R | 96.8 | Very high | 95.1 | Very high | 107 Ų | 107 | 54.1 Ų | 54.1 | 40% | 0.404 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.1 | -40.5 | 172.7 | -74.8 | 177 | -168.7 | 111.8 | 9.1 | 111.6 | L624 Q632 D633 F634 N640 | L624-R636 HydrophobicContact CD1-CG 4.44Å; L624-R636 HydrophobicContact CD2-CG 4.17Å; Q632-R636 VanDerWaalsContact O-CG 3.31Å; Q632-R636 WeakPolarHBondContact O-CG 3.46Å; Q632-R636 PolarHBondContact O-N 3.34Å; D633-R636 PolarHBondContact O-N 3.48Å; D633-R636 IonicContact OD1-CZ 3.79Å; D633-R636 IonicContact OD1-NH1 3.65Å; D633-R636 PolarHBondContact OD1-NH1 3.11Å; F634-R636 PolarHBondContact O-N 2.78Å; R636-N640 PolarHBondContact O-ND2 3.4Å |
| 637 | L | 97.2 | Very high | 95.1 | Very high | 63 Ų | 63 | 51.8 Ų | 51.8 | 33% | 0.33 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -69.4 | -46.9 | 176.1 | -65.8 | 168.2 | 0 | 0 | 0 | 110.8 | L431 Y521 L525 D633 F634 Y635 I639 N640 | L431-L637 HydrophobicContact CD1-CD1 4.23Å; L431-L637 HydrophobicContact CD2-CB 3.66Å; Y521-L637 HydrophobicContact CD1-CD1 4.49Å; Y521-L637 HydrophobicContact CE1-CD1 3.85Å; L525-L637 HydrophobicContact CD2-CD1 4.04Å; D633-L637 WeakPolarHBondContact O-CG 3.5Å; D633-L637 PolarHBondContact O-N 2.57Å; F634-L637 PolarHBondContact O-N 3.07Å; Y635-L637 VanDerWaalsContact C-N 3.3Å; Y635-L637 PolarHBondContact O-N 2.83Å; L637-I639 PolarHBondContact O-N 3.31Å; L637-N640 PolarHBondContact O-N 3.17Å |
| 638 | L | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.4 | -47 | -178.7 | -178.5 | 65.5 | 0 | 0 | 0 | 112.7 | L430 F459 F634 Y635 N640 T641 F644 | L430-L638 HydrophobicContact CB-CD1 4.37Å; L430-L638 HydrophobicContact CD2-CD1 4.49Å; L430-L638 WeakPolarHBondContact O-CD1 3.33Å; F459-L638 HydrophobicContact CE2-CD1 4.23Å; F459-L638 HydrophobicContact CZ-CD1 4.43Å; F634-L638 HydrophobicContact CE1-CD2 3.97Å; F634-L638 HydrophobicContact CZ-CD2 4.02Å; F634-L638 WeakPolarHBondContact O-CB 3.47Å; F634-L638 PolarHBondContact O-N 3.06Å; Y635-L638 HydrophobicContact CD1-CD2 4.32Å; Y635-L638 PolarHBondContact O-N 2.59Å; L638-N640 PolarHBondContact O-N 2.94Å; L638-T641 WeakPolarHBondContact O-CB 3.35Å; L638-T641 WeakPolarHBondContact O-CG2 3.43Å; L638-T641 PolarHBondContact O-N 3.23Å; L638-T641 VanDerWaalsContact O-N 3.08Å; L638-T641 PolarHBondContact O-OG1 2.88Å; L638-F644 HydrophobicContact CG-CD2 4.3Å; L638-F644 VanDerWaalsContact O-CB 3.27Å; L638-F644 WeakPolarHBondContact O-CB 3.42Å |
| 639 | I | 96.5 | Very high | 95.2 | Very high | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.7 | -27.6 | -176.7 | -68.1 | 168.2 | 0 | 0 | 0 | 112.3 | L614 V620 F623 L624 Y635 L637 T641 F644 | L614-I639 HydrophobicContact CD2-CG2 4.11Å; V620-I639 HydrophobicContact CG1-CD1 4.26Å; V620-I639 HydrophobicContact CG1-CG2 3.91Å; V620-I639 HydrophobicContact CG2-CG2 4.15Å; F623-I639 HydrophobicContact CD1-CD1 3.77Å; F623-I639 HydrophobicContact CD1-CG1 4.41Å; F623-I639 HydrophobicContact CE1-CD1 4.26Å; L624-I639 HydrophobicContact CD1-CD1 4.22Å; L624-I639 HydrophobicContact CD2-CD1 3.51Å; L624-I639 HydrophobicContact CG-CD1 3.6Å; Y635-I639 WeakPolarHBondContact O-CB 3.49Å; Y635-I639 VanDerWaalsContact O-CG1 3.24Å; Y635-I639 WeakPolarHBondContact O-CG1 3.43Å; Y635-I639 PolarHBondContact O-N 3.04Å; L637-I639 PolarHBondContact O-N 3.31Å; I639-T641 VanDerWaalsContact C-N 3.26Å; I639-T641 PolarHBondContact O-N 3.33Å; I639-F644 HydrophobicContact CB-CD1 4.28Å; I639-F644 HydrophobicContact CB-CE1 4.38Å; I639-F644 HydrophobicContact CG1-CD1 4.31Å; I639-F644 HydrophobicContact CG1-CD2 4.44Å; I639-F644 HydrophobicContact CG1-CE1 4.05Å; I639-F644 HydrophobicContact CG1-CE2 4.17Å; I639-F644 HydrophobicContact CG1-CZ 3.98Å; I639-F644 HydrophobicContact CG2-CD1 4.11Å; I639-F644 HydrophobicContact CG2-CE1 4.06Å |
| 640 | N | 94.7 | Very high | 95.1 | Very high | 131 Ų | 131 | 40.9 Ų | 40.9 | 70% | 0.701 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -2.1 | 179.1 | -71.1 | -34.1 | 0 | 0 | 0 | 113.7 | R636 L637 L638 | R636-N640 PolarHBondContact O-ND2 3.4Å; L637-N640 PolarHBondContact O-N 3.17Å; L638-N640 PolarHBondContact O-N 2.94Å |
| 641 | T | 96.5 | Very high | 95.2 | Very high | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -78.9 | 149.9 | 177.2 | 64.5 | 0 | 0 | 0 | 0 | 111.8 | E432 L638 I639 L643 F644 I645 | E432-T641 HydrophobicContact CB-CG2 4.43Å; E432-T641 VanDerWaalsContact CD-CB 3.44Å; E432-T641 HydrophobicContact CG-CG2 3.93Å; E432-T641 WeakPolarHBondContact OE2-CA 3.26Å; E432-T641 WeakPolarHBondContact OE2-CB 3.45Å; L638-T641 WeakPolarHBondContact O-CB 3.35Å; L638-T641 WeakPolarHBondContact O-CG2 3.43Å; L638-T641 PolarHBondContact O-N 3.23Å; L638-T641 VanDerWaalsContact O-N 3.08Å; L638-T641 PolarHBondContact O-OG1 2.88Å; I639-T641 VanDerWaalsContact C-N 3.26Å; I639-T641 PolarHBondContact O-N 3.33Å; T641-L643 PolarHBondContact O-N 3.3Å; T641-F644 PolarHBondContact O-N 3.12Å; T641-F644 PolarHBondContact OG1-N 3.01Å; T641-F644 VanDerWaalsContact OG1-N 3.15Å; T641-I645 WeakPolarHBondContact O-CD1 3.45Å; T641-I645 WeakPolarHBondContact O-CG1 3.29Å; T641-I645 PolarHBondContact O-N 3.22Å; T641-I645 VanDerWaalsContact O-N 3.14Å |
| 642 | Q | 94.5 | Very high | 95.1 | Very high | 106 Ų | 106 | 37.9 Ų | 37.9 | 50% | 0.495 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.3 | -31.6 | 169.1 | -60.4 | 174.5 | 83.7 | 0 | 0 | 111.2 | E432 Q462 F644 I645 R646 | E432-Q642 VanDerWaalsContact OE1-CA 3.24Å; E432-Q642 WeakPolarHBondContact OE1-CA 3.5Å; E432-Q642 WeakPolarHBondContact OE1-CB 3.49Å; E432-Q642 PolarHBondContact OE1-N 2.91Å; E432-Q642 PolarHBondContact OE2-N 3.06Å; Q462-Q642 HydrophobicContact CB-CB 4.37Å; Q642-F644 VanDerWaalsContact C-N 3.35Å; Q642-F644 PolarHBondContact O-N 2.95Å; Q642-I645 PolarHBondContact O-N 3.28Å; Q642-R646 WeakPolarHBondContact O-CB 3.42Å; Q642-R646 PolarHBondContact O-N 3.31Å |
| 643 | L | 94.7 | Very high | 94.7 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -50.9 | -51.9 | 171.3 | -66.9 | 179.5 | 0 | 0 | 0 | 111.8 | V429 E432 I456 F459 R460 W461 Q462 T641 F647 | V429-L643 WeakPolarHBondContact O-CD1 3.29Å; E432-L643 HydrophobicContact CG-CD1 4.04Å; E432-L643 HydrophobicContact CG-CG 3.91Å; E432-L643 WeakPolarHBondContact OE1-CG 3.31Å; E432-L643 PolarHBondContact OE1-N 3.24Å; I456-L643 HydrophobicContact CD1-CD1 4.39Å; I456-L643 HydrophobicContact CD1-CD2 4.33Å; F459-L643 HydrophobicContact CB-CB 4.34Å; F459-L643 HydrophobicContact CB-CD2 4.44Å; F459-L643 HydrophobicContact CD1-CB 4.34Å; F459-L643 WeakPolarHBondContact CD1-O 3.49Å; F459-L643 HydrophobicContact CG-CB 4.36Å; R460-L643 WeakPolarHBondContact O-CD2 3.35Å; W461-L643 HydrophobicContact CE3-CD2 4.24Å; Q462-L643 HydrophobicContact CG-CD2 4.35Å; T641-L643 PolarHBondContact O-N 3.3Å; L643-F647 VanDerWaalsContact O-CB 3.3Å; L643-F647 WeakPolarHBondContact O-CB 3.32Å; L643-F647 PolarHBondContact O-N 2.59Å |
| 644 | F | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70 | -46 | -178.5 | -172.5 | -86.6 | 0 | 0 | 0 | 111.6 | F459 M593 L614 F618 F623 L638 I639 T641 Q642 R646 F647 I648 | F459-F644 HydrophobicContact CE1-CB 4.43Å; F459-F644 HydrophobicContact CE1-CD2 4.11Å; F459-F644 HydrophobicContact CZ-CD2 4.04Å; M593-F644 HydrophobicContact CE-CD2 4.36Å; M593-F644 HydrophobicContact CE-CE2 3.81Å; M593-F644 HydrophobicContact SD-CE2 4.31Å; L614-F644 HydrophobicContact CD1-CD1 4.42Å; L614-F644 HydrophobicContact CD1-CE1 4.28Å; F618-F644 HydrophobicContact CD1-CE1 4.14Å; F618-F644 HydrophobicContact CD1-CZ 4.28Å; F618-F644 AromaticContact CE1-CE1 3.99Å; F618-F644 HydrophobicContact CE1-CE1 3.99Å; F618-F644 AromaticContact CE1-CZ 3.68Å; F618-F644 HydrophobicContact CE1-CZ 3.68Å; F618-F644 AromaticContact CZ-CZ 3.88Å; F618-F644 HydrophobicContact CZ-CZ 3.88Å; F623-F644 HydrophobicContact CD1-CZ 4.46Å; F623-F644 HydrophobicContact CE1-CE2 4.25Å; F623-F644 HydrophobicContact CE1-CZ 4.34Å; L638-F644 HydrophobicContact CG-CD2 4.3Å; L638-F644 VanDerWaalsContact O-CB 3.27Å; L638-F644 WeakPolarHBondContact O-CB 3.42Å; I639-F644 HydrophobicContact CB-CD1 4.28Å; I639-F644 HydrophobicContact CB-CE1 4.38Å; I639-F644 HydrophobicContact CG1-CD1 4.31Å; I639-F644 HydrophobicContact CG1-CD2 4.44Å; I639-F644 HydrophobicContact CG1-CE1 4.05Å; I639-F644 HydrophobicContact CG1-CE2 4.17Å; I639-F644 HydrophobicContact CG1-CZ 3.98Å; I639-F644 HydrophobicContact CG2-CD1 4.11Å; I639-F644 HydrophobicContact CG2-CE1 4.06Å; T641-F644 PolarHBondContact O-N 3.12Å; T641-F644 PolarHBondContact OG1-N 3.01Å; T641-F644 VanDerWaalsContact OG1-N 3.15Å; Q642-F644 VanDerWaalsContact C-N 3.35Å; Q642-F644 PolarHBondContact O-N 2.95Å; F644-R646 VanDerWaalsContact C-N 3.33Å; F644-R646 PolarHBondContact O-N 3.37Å; F644-F647 PolarHBondContact O-N 2.96Å; F644-I648 HydrophobicContact CD1-CG1 4.05Å; F644-I648 HydrophobicContact CE1-CD1 4.21Å; F644-I648 HydrophobicContact CE1-CG1 3.66Å; F644-I648 HydrophobicContact CZ-CD1 4.19Å; F644-I648 HydrophobicContact CZ-CG1 4.14Å; F644-I648 WeakPolarHBondContact O-CG1 3.45Å; F644-I648 PolarHBondContact O-N 3.05Å |
| 645 | I | 95.3 | Very high | 92.5 | Very high | 70 Ų | 70 | 35.4 Ų | 35.4 | 36% | 0.359 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -57.4 | -49.3 | 178.4 | -66.2 | 162 | 0 | 0 | 0 | 110.1 | L614 T641 Q642 F647 I648 E649 | L614-I645 HydrophobicContact CD2-CG1 4.01Å; T641-I645 WeakPolarHBondContact O-CD1 3.45Å; T641-I645 WeakPolarHBondContact O-CG1 3.29Å; T641-I645 PolarHBondContact O-N 3.22Å; T641-I645 VanDerWaalsContact O-N 3.14Å; Q642-I645 PolarHBondContact O-N 3.28Å; I645-F647 PolarHBondContact O-N 3.19Å; I645-I648 PolarHBondContact O-N 3.47Å; I645-E649 PolarHBondContact O-N 2.78Å |
| 646 | R | 92.5 | Very high | 91 | Very high | 70 Ų | 70 | 39.3 Ų | 39.3 | 26% | 0.264 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65 | -39.5 | -180 | -175.2 | 61.7 | 176.9 | -176.6 | -4.4 | 111.9 | Q462 Q642 F644 I648 E649 E650 | Q462-R646 HydrophobicContact CG-CB 4.08Å; Q462-R646 HydrophobicContact CG-CG 4.3Å; Q642-R646 WeakPolarHBondContact O-CB 3.42Å; Q642-R646 PolarHBondContact O-N 3.31Å; F644-R646 VanDerWaalsContact C-N 3.33Å; F644-R646 PolarHBondContact O-N 3.37Å; R646-I648 VanDerWaalsContact C-N 3.35Å; R646-I648 PolarHBondContact O-N 2.93Å; R646-E649 WeakPolarHBondContact CD-OE2 3.31Å; R646-E649 IonicContact CZ-OE2 2.93Å; R646-E649 IonicContact NE-OE2 3.97Å; R646-E649 IonicContact NH1-OE1 2.78Å; R646-E649 PolarHBondContact NH1-OE1 2.76Å; R646-E649 VanDerWaalsContact NH1-OE1 3.12Å; R646-E649 IonicContact NH1-OE2 3.21Å; R646-E649 PolarHBondContact NH1-OE2 3.45Å; R646-E649 WeakPolarHBondContact O-CB 3.05Å; R646-E649 PolarHBondContact O-N 3.39Å; R646-E650 HydrophobicContact CG-CG 4.12Å; R646-E650 IonicContact CZ-OE1 2.77Å; R646-E650 IonicContact NE-OE1 3.51Å; R646-E650 PolarHBondContact NE-OE1 2.68Å; R646-E650 IonicContact NH2-OE1 2.76Å; R646-E650 WeakPolarHBondContact O-CB 3.39Å; R646-E650 WeakPolarHBondContact O-CG 3.3Å; R646-E650 PolarHBondContact O-N 2.87Å |
| 647 | F | 95.2 | Very high | 89.2 | Confident | 3 Ų | 3 | 42.3 Ų | 42.3 | 1% | 0.013 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.2 | -43.4 | 174.5 | 163.7 | -100.6 | 0 | 0 | 0 | 112.4 | P458 F459 M593 Y596 L643 F644 I645 E649 R651 L663 F666 | P458-F647 HydrophobicContact CB-CD2 3.93Å; P458-F647 HydrophobicContact CB-CE2 3.58Å; P458-F647 HydrophobicContact CG-CD2 3.8Å; P458-F647 HydrophobicContact CG-CE2 3.34Å; P458-F647 HydrophobicContact CG-CZ 3.95Å; F459-F647 HydrophobicContact CD1-CB 3.57Å; F459-F647 HydrophobicContact CD1-CD1 4.48Å; F459-F647 HydrophobicContact CD1-CD2 4.44Å; F459-F647 AromaticContact CD1-CG 3.93Å; F459-F647 HydrophobicContact CD1-CG 3.93Å; F459-F647 HydrophobicContact CE1-CB 3.69Å; F459-F647 AromaticContact CE1-CD1 3.84Å; F459-F647 HydrophobicContact CE1-CD1 3.84Å; F459-F647 HydrophobicContact CE1-CD2 4.49Å; F459-F647 AromaticContact CE1-CG 3.75Å; F459-F647 HydrophobicContact CE1-CG 3.75Å; M593-F647 HydrophobicContact CE-CD1 3.92Å; M593-F647 HydrophobicContact CE-CE1 3.32Å; M593-F647 HydrophobicContact CE-CZ 3.99Å; Y596-F647 AromaticContact CD2-CE1 3.66Å; Y596-F647 HydrophobicContact CD2-CE1 3.66Å; Y596-F647 AromaticContact CD2-CZ 3.97Å; Y596-F647 HydrophobicContact CD2-CZ 3.97Å; Y596-F647 HydrophobicContact CE1-CZ 4.11Å; Y596-F647 AromaticContact CE2-CE1 3.47Å; Y596-F647 HydrophobicContact CE2-CE1 3.47Å; Y596-F647 VanDerWaalsContact CE2-CE1 3.47Å; Y596-F647 AromaticContact CE2-CZ 3.38Å; Y596-F647 HydrophobicContact CE2-CZ 3.38Å; Y596-F647 HydrophobicContact CG-CE1 4.35Å; Y596-F647 AromaticContact CZ-CZ 3.44Å; Y596-F647 VanDerWaalsContact CZ-CZ 3.44Å; L643-F647 VanDerWaalsContact O-CB 3.3Å; L643-F647 WeakPolarHBondContact O-CB 3.32Å; L643-F647 PolarHBondContact O-N 2.59Å; F644-F647 PolarHBondContact O-N 2.96Å; I645-F647 PolarHBondContact O-N 3.19Å; F647-E649 VanDerWaalsContact C-N 3.34Å; F647-R651 WeakPolarHBondContact O-CB 3.45Å; F647-R651 PolarHBondContact O-N 3.48Å; F647-L663 HydrophobicContact CD2-CD2 3.96Å; F647-L663 HydrophobicContact CE2-CD2 3.79Å; F647-F666 HydrophobicContact CZ-CE1 4.47Å |
| 648 | I | 95.8 | Very high | 88.1 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.9 | -40.2 | 175.6 | -64.6 | -55.7 | 0 | 0 | 0 | 111 | Y596 L600 L614 L617 F618 F644 I645 R646 R651 S652 | Y596-I648 HydrophobicContact CD2-CD1 4.32Å; L600-I648 HydrophobicContact CD2-CD1 4.31Å; L600-I648 HydrophobicContact CD2-CG2 4.37Å; L614-I648 HydrophobicContact CD1-CB 3.96Å; L614-I648 HydrophobicContact CD1-CG1 3.95Å; L614-I648 HydrophobicContact CD1-CG2 3.94Å; L617-I648 HydrophobicContact CB-CG2 4.2Å; F618-I648 HydrophobicContact CB-CG2 3.96Å; F618-I648 HydrophobicContact CD2-CD1 3.6Å; F618-I648 HydrophobicContact CD2-CG1 4.26Å; F618-I648 HydrophobicContact CD2-CG2 4.49Å; F618-I648 HydrophobicContact CE2-CD1 3.71Å; F618-I648 HydrophobicContact CG-CD1 4.16Å; F618-I648 HydrophobicContact CG-CG1 4.34Å; F618-I648 HydrophobicContact CG-CG2 4.48Å; F618-I648 HydrophobicContact CZ-CD1 4.39Å; F644-I648 HydrophobicContact CD1-CG1 4.05Å; F644-I648 HydrophobicContact CE1-CD1 4.21Å; F644-I648 HydrophobicContact CE1-CG1 3.66Å; F644-I648 HydrophobicContact CZ-CD1 4.19Å; F644-I648 HydrophobicContact CZ-CG1 4.14Å; F644-I648 WeakPolarHBondContact O-CG1 3.45Å; F644-I648 PolarHBondContact O-N 3.05Å; I645-I648 PolarHBondContact O-N 3.47Å; R646-I648 VanDerWaalsContact C-N 3.35Å; R646-I648 PolarHBondContact O-N 2.93Å; I648-R651 PolarHBondContact O-N 3.07Å; I648-S652 WeakPolarHBondContact O-CB 3.01Å; I648-S652 PolarHBondContact O-N 3.24Å; I648-S652 PolarHBondContact O-OG 2.77Å |
| 649 | E | 91.9 | Very high | 87.4 | Confident | 73 Ų | 73 | 43 Ų | 43 | 34% | 0.341 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.9 | -52 | 175.4 | -170.5 | -169.1 | 172.6 | 0 | 0 | 111.6 | I645 R646 F647 R651 S652 F653 | I645-E649 PolarHBondContact O-N 2.78Å; R646-E649 WeakPolarHBondContact CD-OE2 3.31Å; R646-E649 IonicContact CZ-OE2 2.93Å; R646-E649 IonicContact NE-OE2 3.97Å; R646-E649 IonicContact NH1-OE1 2.78Å; R646-E649 PolarHBondContact NH1-OE1 2.76Å; R646-E649 VanDerWaalsContact NH1-OE1 3.12Å; R646-E649 IonicContact NH1-OE2 3.21Å; R646-E649 PolarHBondContact NH1-OE2 3.45Å; R646-E649 WeakPolarHBondContact O-CB 3.05Å; R646-E649 PolarHBondContact O-N 3.39Å; F647-E649 VanDerWaalsContact C-N 3.34Å; E649-R651 VanDerWaalsContact C-N 3.29Å; E649-R651 PolarHBondContact O-N 3.37Å; E649-S652 CarbonylContact O-C 3.54Å; E649-S652 WeakPolarHBondContact O-CA 3.47Å; E649-S652 WeakPolarHBondContact O-CB 3.32Å; E649-S652 PolarHBondContact O-N 3.15Å; E649-F653 HydrophobicContact CG-CD2 3.82Å; E649-F653 HydrophobicContact CG-CE2 4.25Å; E649-F653 WeakPolarHBondContact O-CD2 3.4Å; E649-F653 PolarHBondContact O-N 2.99Å |
| 650 | E | 91 | Very high | 86.8 | Confident | 10 Ų | 10 | 43.1 Ų | 43.1 | 5% | 0.047 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.7 | -31.3 | 178.4 | -71.1 | -175.8 | 178 | 0 | 0 | 112.5 | R460 R646 S652 T655 T659 N660 L663 | R460-E650 IonicContact CZ-OE2 3.58Å; R460-E650 IonicContact NH1-OE1 3.98Å; R460-E650 IonicContact NH1-OE2 3.85Å; R460-E650 PolarHBondContact NH1-OE2 3.48Å; R646-E650 HydrophobicContact CG-CG 4.12Å; R646-E650 IonicContact CZ-OE1 2.77Å; R646-E650 IonicContact NE-OE1 3.51Å; R646-E650 PolarHBondContact NE-OE1 2.68Å; R646-E650 IonicContact NH2-OE1 2.76Å; R646-E650 WeakPolarHBondContact O-CB 3.39Å; R646-E650 WeakPolarHBondContact O-CG 3.3Å; R646-E650 PolarHBondContact O-N 2.87Å; E650-S652 VanDerWaalsContact C-N 3.29Å; E650-T655 HydrophobicContact CB-CG2 4.46Å; E650-T655 HydrophobicContact CG-CG2 3.82Å; E650-T659 HydrophobicContact CB-CG2 4.09Å; E650-T659 HydrophobicContact CG-CG2 4.32Å; E650-T659 WeakPolarHBondContact OE2-CG2 3.31Å; E650-N660 PolarHBondContact O-ND2 3.41Å; E650-L663 HydrophobicContact CB-CD1 3.97Å |
| 651 | R | 93.1 | Very high | 86.2 | Confident | 3 Ų | 3 | 38.5 Ų | 38.5 | 1% | 0.011 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -74.3 | -23.7 | 172.2 | -176.8 | 56.7 | -176.1 | 72.6 | -6.5 | 112.4 | Y596 L600 F647 I648 E649 L663 D667 P860 A862 Y865 | Y596-R651 HydrophobicContact CE2-CG 4.07Å; Y596-R651 PolarHBondContact OH-NE 2.99Å; L600-R651 HydrophobicContact CD1-CG 4.1Å; F647-R651 WeakPolarHBondContact O-CB 3.45Å; F647-R651 PolarHBondContact O-N 3.48Å; I648-R651 PolarHBondContact O-N 3.07Å; E649-R651 VanDerWaalsContact C-N 3.29Å; E649-R651 PolarHBondContact O-N 3.37Å; R651-L663 HydrophobicContact CB-CD1 4.09Å; R651-D667 IonicContact CZ-OD2 3.52Å; R651-D667 IonicContact NE-OD1 3.77Å; R651-D667 IonicContact NE-OD2 3.38Å; R651-D667 PolarHBondContact NE-OD2 2.79Å; R651-D667 IonicContact NH2-OD1 2.8Å; R651-D667 IonicContact NH2-OD2 3.3Å; R651-D667 PolarHBondContact NH2-OD2 2.98Å; R651-P860 PolarHBondContact NH2-O 3.31Å; R651-A862 VanDerWaalsContact CD-CB 3.44Å; R651-Y865 WeakPolarHBondContact O-CD1 3.32Å |
| 652 | S | 91.2 | Very high | 85.8 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -92.5 | -26.2 | -178.2 | -63.4 | 0 | 0 | 0 | 0 | 113.4 | I648 E649 E650 N869 | I648-S652 WeakPolarHBondContact O-CB 3.01Å; I648-S652 PolarHBondContact O-N 3.24Å; I648-S652 PolarHBondContact O-OG 2.77Å; E649-S652 CarbonylContact O-C 3.54Å; E649-S652 WeakPolarHBondContact O-CA 3.47Å; E649-S652 WeakPolarHBondContact O-CB 3.32Å; E649-S652 PolarHBondContact O-N 3.15Å; E650-S652 VanDerWaalsContact C-N 3.29Å; S652-N869 VanDerWaalsContact O-CB 3.29Å; S652-N869 WeakPolarHBondContact O-CB 3.45Å; S652-N869 PolarHBondContact O-ND2 3.48Å |
| 653 | F | 88.6 | Confident | 85.7 | Confident | 22 Ų | 22 | 35.9 Ų | 35.9 | 10% | 0.096 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -135.1 | 163.8 | -174.5 | -53.7 | -63 | 0 | 0 | 0 | 112.2 | I603 T612 L617 E649 N660 N869 L873 | I603-F653 HydrophobicContact CD1-CE1 4.2Å; I603-F653 HydrophobicContact CD1-CZ 4.36Å; T612-F653 HydrophobicContact CG2-CE2 4.25Å; T612-F653 HydrophobicContact CG2-CZ 3.86Å; L617-F653 HydrophobicContact CD1-CE2 3.54Å; L617-F653 HydrophobicContact CD1-CZ 3.84Å; L617-F653 HydrophobicContact CD2-CE2 4.44Å; L617-F653 HydrophobicContact CD2-CZ 3.89Å; E649-F653 HydrophobicContact CG-CD2 3.82Å; E649-F653 HydrophobicContact CG-CE2 4.25Å; E649-F653 WeakPolarHBondContact O-CD2 3.4Å; E649-F653 PolarHBondContact O-N 2.99Å; F653-N660 PolarHBondContact O-ND2 3.35Å; F653-N869 HydrophobicContact CD1-CB 3.89Å; F653-N869 HydrophobicContact CE1-CB 3.78Å; F653-L873 HydrophobicContact CD1-CD1 3.95Å; F653-L873 HydrophobicContact CE1-CD1 3.26Å; F653-L873 HydrophobicContact CE1-CG 4.45Å; F653-L873 HydrophobicContact CZ-CD1 3.94Å |
| 654 | L | 78.7 | Confident | 85.4 | Confident | 21 Ų | 21 | 36.2 Ų | 36.2 | 11% | 0.11 | 17% | 0.174 | C | C | . | . | trans | -84.3 | 117.5 | 173 | -58.1 | 174.6 | 0 | 0 | 0 | 108.9 | N660 L746 I867 | L654-N660 HydrophobicContact CD2-CB 4.32Å; L654-L746 HydrophobicContact CB-CD2 4.09Å; L654-I867 HydrophobicContact CD1-CG1 3.95Å; L654-I867 HydrophobicContact CD2-CG1 4.43Å | ||
| 655 | T | 66.7 | Low | 85.2 | Confident | 44 Ų | 44 | 36.7 Ų | 36.7 | 27% | 0.27 | 18% | 0.176 | S | C | . | . | trans | -111.2 | -38.2 | -177.5 | 53.9 | 0 | 0 | 0 | 0 | 113.7 | E650 | E650-T655 HydrophobicContact CB-CG2 4.46Å; E650-T655 HydrophobicContact CG-CG2 3.82Å | ||
| 656 | D | 65.7 | Low | 85.1 | Confident | 91 Ų | 91 | 33.4 Ų | 33.4 | 49% | 0.487 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -156.3 | 165.7 | 178.8 | -167.8 | 14.4 | 0 | 0 | 0 | 111.2 | D658 | D656-D658 PolarHBondContact O-N 3.28Š|
| 657 | R | 60.5 | Low | 85.1 | Confident | 171 Ų | 171 | 30.5 Ų | 30.5 | 65% | 0.645 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55 | -42.9 | -168.2 | -78.4 | -167.3 | 178.2 | -171.6 | 3.1 | 114.4 | ||
| 658 | D | 73.1 | Confident | 84.8 | Confident | 77 Ų | 77 | 31 Ų | 31 | 41% | 0.412 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | -11.5 | -173 | -60.4 | -41.1 | 0 | 0 | 0 | 114.1 | D656 N660 A661 Y662 | D656-D658 PolarHBondContact O-N 3.28Å; D658-N660 PolarHBondContact O-N 3.48Å; D658-A661 WeakPolarHBondContact O-CB 3.22Å; D658-A661 PolarHBondContact O-N 2.78Å; D658-Y662 HydrophobicContact CB-CD2 4.19Å; D658-Y662 HydrophobicContact CB-CE2 3.49Å; D658-Y662 VanDerWaalsContact CB-CE2 3.49Å; D658-Y662 WeakPolarHBondContact O-CD2 3.33Å; D658-Y662 PolarHBondContact O-N 3.44Å |
| 659 | T | 82.2 | Confident | 84.5 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -54 | -54.1 | -177.4 | -61.9 | 0 | 0 | 0 | 0 | 112.7 | R460 E650 A661 Y662 L663 | R460-T659 VanDerWaalsContact CZ-OG1 3.29Å; R460-T659 PolarHBondContact NH1-OG1 3.22Å; R460-T659 PolarHBondContact NH2-OG1 3.08Å; E650-T659 HydrophobicContact CB-CG2 4.09Å; E650-T659 HydrophobicContact CG-CG2 4.32Å; E650-T659 WeakPolarHBondContact OE2-CG2 3.31Å; T659-A661 PolarHBondContact O-N 2.94Å; T659-Y662 PolarHBondContact O-N 2.84Å; T659-L663 HydrophobicContact CG2-CD1 4.25Å; T659-L663 WeakPolarHBondContact O-CG 3.27Å; T659-L663 PolarHBondContact O-N 3.45Å |
| 660 | N | 83.9 | Confident | 84.6 | Confident | 6 Ų | 6 | 27.7 Ų | 27.7 | 3% | 0.032 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.1 | -24.8 | -178.5 | -61.1 | 84.5 | 0 | 0 | 0 | 112 | E650 F653 L654 D658 A664 A862 V863 | E650-N660 PolarHBondContact O-ND2 3.41Å; F653-N660 PolarHBondContact O-ND2 3.35Å; L654-N660 HydrophobicContact CD2-CB 4.32Å; D658-N660 PolarHBondContact O-N 3.48Å; N660-A664 WeakPolarHBondContact O-CB 3.49Å; N660-A664 PolarHBondContact O-N 3.29Å; N660-A862 PolarHBondContact ND2-O 2.98Å; N660-A862 WeakPolarHBondContact O-CB 3.44Å; N660-V863 HydrophobicContact CB-CG2 3.93Å |
| 661 | A | 83.4 | Confident | 84.4 | Confident | 33 Ų | 33 | 31.3 Ų | 31.3 | 27% | 0.273 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -69.6 | -42.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | D658 T659 A664 F665 T756 | D658-A661 WeakPolarHBondContact O-CB 3.22Å; D658-A661 PolarHBondContact O-N 2.78Å; T659-A661 PolarHBondContact O-N 2.94Å; A661-A664 PolarHBondContact O-N 3.16Å; A661-F665 PolarHBondContact O-N 3.4Å; A661-T756 HydrophobicContact CB-CG2 4.09Å |
| 662 | Y | 88.3 | Confident | 84.1 | Confident | 53 Ų | 53 | 33.4 Ų | 33.4 | 21% | 0.208 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.3 | -43 | 173.2 | -58.6 | -53.1 | 0 | 0 | 0 | 111.7 | P402 P404 F457 D658 T659 A664 F665 F666 | P402-Y662 WeakPolarHBondContact O-CD1 3.46Å; P404-Y662 HydrophobicContact CG-CD1 4.49Å; P404-Y662 HydrophobicContact CG-CD2 4.13Å; P404-Y662 HydrophobicContact CG-CE2 4.36Å; P404-Y662 HydrophobicContact CG-CG 4.23Å; F457-Y662 WeakPolarHBondContact CZ-O 3.39Å; D658-Y662 HydrophobicContact CB-CD2 4.19Å; D658-Y662 HydrophobicContact CB-CE2 3.49Å; D658-Y662 VanDerWaalsContact CB-CE2 3.49Å; D658-Y662 WeakPolarHBondContact O-CD2 3.33Å; D658-Y662 PolarHBondContact O-N 3.44Å; T659-Y662 PolarHBondContact O-N 2.84Å; Y662-A664 VanDerWaalsContact C-N 3.33Å; Y662-A664 PolarHBondContact O-N 3.48Å; Y662-F665 WeakPolarHBondContact O-CB 3.39Å; Y662-F665 PolarHBondContact O-N 3.19Å; Y662-F665 VanDerWaalsContact O-N 3.17Å; Y662-F666 PolarHBondContact O-N 2.76Å |
| 663 | L | 91.6 | Very high | 83.9 | Confident | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.8 | -32.8 | 177.4 | -64.8 | -177.5 | 0 | 0 | 0 | 112.8 | P458 F647 E650 R651 T659 F665 F666 D667 A862 | P458-L663 HydrophobicContact CB-CD2 3.8Å; F647-L663 HydrophobicContact CD2-CD2 3.96Å; F647-L663 HydrophobicContact CE2-CD2 3.79Å; E650-L663 HydrophobicContact CB-CD1 3.97Å; R651-L663 HydrophobicContact CB-CD1 4.09Å; T659-L663 HydrophobicContact CG2-CD1 4.25Å; T659-L663 WeakPolarHBondContact O-CG 3.27Å; T659-L663 PolarHBondContact O-N 3.45Å; L663-F665 VanDerWaalsContact C-N 3.34Å; L663-F666 WeakPolarHBondContact O-CB 3.27Å; L663-F666 PolarHBondContact O-N 2.87Å; L663-D667 PolarHBondContact O-N 3.25Å; L663-A862 HydrophobicContact CB-CB 3.46Å; L663-A862 VanDerWaalsContact CB-CB 3.46Å |
| 664 | A | 89.4 | Confident | 83.7 | Confident | 7 Ų | 7 | 37.1 Ų | 37.1 | 6% | 0.058 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.7 | -36.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N660 A661 Y662 D667 D668 T756 N861 A862 V863 | N660-A664 WeakPolarHBondContact O-CB 3.49Å; N660-A664 PolarHBondContact O-N 3.29Å; A661-A664 PolarHBondContact O-N 3.16Å; Y662-A664 VanDerWaalsContact C-N 3.33Å; Y662-A664 PolarHBondContact O-N 3.48Å; A664-D667 PolarHBondContact O-N 3.29Å; A664-D668 PolarHBondContact O-N 3.42Å; A664-T756 HydrophobicContact CB-CG2 4.22Å; A664-N861 HydrophobicContact CB-CB 4.14Å; A664-A862 HydrophobicContact CB-CB 4.24Å; A664-V863 HydrophobicContact CB-CG2 4.38Å |
| 665 | F | 90.8 | Very high | 84 | Confident | 11 Ų | 11 | 42.7 Ų | 42.7 | 5% | 0.048 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.8 | -39.6 | 170 | 166.8 | -103.6 | 0 | 0 | 0 | 112.1 | P402 L403 F457 L586 A661 Y662 L663 D668 C669 L687 | P402-F665 HydrophobicContact CB-CD1 3.95Å; P402-F665 HydrophobicContact CB-CD2 3.66Å; P402-F665 HydrophobicContact CB-CE1 4.01Å; P402-F665 HydrophobicContact CB-CE2 3.71Å; P402-F665 HydrophobicContact CB-CG 3.78Å; P402-F665 HydrophobicContact CB-CZ 3.91Å; P402-F665 HydrophobicContact CG-CD1 4.38Å; P402-F665 HydrophobicContact CG-CD2 4.16Å; P402-F665 HydrophobicContact CG-CE1 3.92Å; P402-F665 HydrophobicContact CG-CE2 3.66Å; P402-F665 HydrophobicContact CG-CG 4.49Å; P402-F665 HydrophobicContact CG-CZ 3.54Å; L403-F665 HydrophobicContact CD2-CD1 4.34Å; L403-F665 HydrophobicContact CD2-CE1 3.76Å; L403-F665 HydrophobicContact CG-CE1 4.41Å; F457-F665 HydrophobicContact CE1-CD1 4.1Å; F457-F665 HydrophobicContact CE1-CE1 4.25Å; F457-F665 HydrophobicContact CZ-CD1 4.11Å; L586-F665 HydrophobicContact CD2-CE1 4.1Å; L586-F665 HydrophobicContact CD2-CZ 4.14Å; A661-F665 PolarHBondContact O-N 3.4Å; Y662-F665 WeakPolarHBondContact O-CB 3.39Å; Y662-F665 PolarHBondContact O-N 3.19Å; Y662-F665 VanDerWaalsContact O-N 3.17Å; L663-F665 VanDerWaalsContact C-N 3.34Å; F665-D668 WeakPolarHBondContact O-CB 3.27Å; F665-D668 PolarHBondContact O-N 3.35Å; F665-C669 WeakPolarHBondContact CZ-SG 3.44Å; F665-C669 PolarHBondContact O-N 3.14Å; F665-C669 PolarHBondContact O-SG 3.41Å; F665-L687 HydrophobicContact CE1-CD2 4.26Å; F665-L687 HydrophobicContact CZ-CD2 3.69Å |
| 666 | F | 93.8 | Very high | 84.8 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.5 | -42.9 | 175.2 | -175.2 | -104.6 | 0 | 0 | 0 | 112.5 | F457 P458 L586 M589 A590 M593 Y596 F647 Y662 L663 D668 C669 V670 | F457-F666 HydrophobicContact CD1-CD2 4.13Å; F457-F666 HydrophobicContact CE1-CB 3.84Å; F457-F666 AromaticContact CE1-CD2 3.71Å; F457-F666 HydrophobicContact CE1-CD2 3.71Å; F457-F666 HydrophobicContact CE1-CG 4.19Å; F457-F666 HydrophobicContact CZ-CB 3.81Å; F457-F666 HydrophobicContact CZ-CD2 4.46Å; P458-F666 HydrophobicContact CB-CB 4.2Å; P458-F666 HydrophobicContact CB-CD1 3.92Å; P458-F666 HydrophobicContact CB-CD2 4Å; P458-F666 HydrophobicContact CB-CE1 4.3Å; P458-F666 HydrophobicContact CB-CE2 4.39Å; P458-F666 HydrophobicContact CB-CG 3.75Å; P458-F666 HydrophobicContact CB-CZ 4.5Å; P458-F666 VanDerWaalsContact CD-CE2 3.47Å; P458-F666 HydrophobicContact CG-CD1 3.7Å; P458-F666 HydrophobicContact CG-CD2 4.01Å; P458-F666 HydrophobicContact CG-CE1 3.56Å; P458-F666 HydrophobicContact CG-CE2 3.9Å; P458-F666 HydrophobicContact CG-CG 3.91Å; P458-F666 HydrophobicContact CG-CZ 3.65Å; L586-F666 HydrophobicContact CD1-CD2 4Å; L586-F666 HydrophobicContact CD1-CE2 4.22Å; M589-F666 HydrophobicContact CB-CE2 4.36Å; A590-F666 HydrophobicContact CB-CE2 4.06Å; A590-F666 HydrophobicContact CB-CZ 4.28Å; M593-F666 HydrophobicContact CB-CE1 3.99Å; M593-F666 HydrophobicContact CB-CZ 3.89Å; M593-F666 HydrophobicContact CG-CE1 4.45Å; M593-F666 HydrophobicContact CG-CZ 4.21Å; Y596-F666 HydrophobicContact CE1-CD1 4.29Å; Y596-F666 HydrophobicContact CE1-CE1 4.06Å; F647-F666 HydrophobicContact CZ-CE1 4.47Å; Y662-F666 PolarHBondContact O-N 2.76Å; L663-F666 WeakPolarHBondContact O-CB 3.27Å; L663-F666 PolarHBondContact O-N 2.87Å; F666-D668 VanDerWaalsContact C-N 3.28Å; F666-D668 PolarHBondContact O-N 2.91Å; F666-C669 WeakPolarHBondContact O-CB 3.36Å; F666-C669 PolarHBondContact O-N 3.13Å; F666-C669 VanDerWaalsContact O-N 3.1Å; F666-V670 HydrophobicContact CD1-CG2 4.18Å; F666-V670 HydrophobicContact CE1-CG2 3.7Å; F666-V670 HydrophobicContact CE2-CG2 4.44Å; F666-V670 HydrophobicContact CZ-CG2 3.87Å; F666-V670 PolarHBondContact O-N 3.41Å |
| 667 | D | 91.7 | Very high | 85.3 | Confident | 9 Ų | 9 | 39.8 Ų | 39.8 | 5% | 0.048 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -55.3 | -43.1 | 174.7 | -82.6 | -37 | 0 | 0 | 0 | 112 | Y596 R651 L663 A664 V670 Q671 R859 A862 | Y596-D667 PolarHBondContact OH-OD1 2.91Å; R651-D667 IonicContact CZ-OD2 3.52Å; R651-D667 IonicContact NE-OD1 3.77Å; R651-D667 IonicContact NE-OD2 3.38Å; R651-D667 PolarHBondContact NE-OD2 2.79Å; R651-D667 IonicContact NH2-OD1 2.8Å; R651-D667 IonicContact NH2-OD2 3.3Å; R651-D667 PolarHBondContact NH2-OD2 2.98Å; L663-D667 PolarHBondContact O-N 3.25Å; A664-D667 PolarHBondContact O-N 3.29Å; D667-V670 PolarHBondContact O-N 2.92Å; D667-Q671 PolarHBondContact O-N 3.1Å; D667-R859 IonicContact OD1-NH2 3.22Å; D667-A862 PolarHBondContact OD2-N 3.34Å |
| 668 | D | 88.6 | Confident | 85.9 | Confident | 13 Ų | 13 | 39.5 Ų | 39.5 | 7% | 0.07 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.1 | -40.7 | 175.5 | 170.3 | 95.7 | 0 | 0 | 0 | 112.1 | A664 F665 F666 V670 Q671 R672 Q758 | A664-D668 PolarHBondContact O-N 3.42Å; F665-D668 WeakPolarHBondContact O-CB 3.27Å; F665-D668 PolarHBondContact O-N 3.35Å; F666-D668 VanDerWaalsContact C-N 3.28Å; F666-D668 PolarHBondContact O-N 2.91Å; D668-V670 PolarHBondContact O-N 3.5Å; D668-Q671 PolarHBondContact O-N 3.23Å; D668-R672 PolarHBondContact O-N 3.17Å; D668-R672 IonicContact OD2-CZ 3.11Å; D668-R672 IonicContact OD2-NE 3.16Å; D668-R672 PolarHBondContact OD2-NE 3.39Å; D668-R672 IonicContact OD2-NH2 2.69Å; D668-R672 PolarHBondContact OD2-NH2 2.87Å; D668-Q758 HydrophobicContact CB-CG 4.17Å; D668-Q758 PolarHBondContact OD1-NE2 3.32Å; D668-Q758 PolarHBondContact OD2-NE2 3.47Å |
| 669 | C | 91.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.2 | -46.1 | 175.4 | -67.1 | 0 | 0 | 0 | 0 | 111.6 | F665 F666 Q671 R672 M673 L686 | F665-C669 WeakPolarHBondContact CZ-SG 3.44Å; F665-C669 PolarHBondContact O-N 3.14Å; F665-C669 PolarHBondContact O-SG 3.41Å; F666-C669 WeakPolarHBondContact O-CB 3.36Å; F666-C669 PolarHBondContact O-N 3.13Å; F666-C669 VanDerWaalsContact O-N 3.1Å; C669-Q671 VanDerWaalsContact C-N 3.31Å; C669-Q671 PolarHBondContact O-N 2.89Å; C669-R672 PolarHBondContact O-N 3.08Å; C669-M673 VanDerWaalsContact O-CG 3.32Å; C669-M673 WeakPolarHBondContact O-CG 3.42Å; C669-M673 PolarHBondContact O-N 3.43Å; C669-M673 VanDerWaalsContact O-N 3.09Å; C669-L686 HydrophobicContact CB-CD2 4.12Å |
| 670 | V | 92.2 | Very high | 85.4 | Confident | 6 Ų | 6 | 42.8 Ų | 42.8 | 4% | 0.036 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.5 | -43 | 176.2 | 175.1 | 0 | 0 | 0 | 0 | 110.6 | A590 F666 D667 D668 M673 D674 | A590-V670 HydrophobicContact CB-CG2 3.92Å; F666-V670 HydrophobicContact CD1-CG2 4.18Å; F666-V670 HydrophobicContact CE1-CG2 3.7Å; F666-V670 HydrophobicContact CE2-CG2 4.44Å; F666-V670 HydrophobicContact CZ-CG2 3.87Å; F666-V670 PolarHBondContact O-N 3.41Å; D667-V670 PolarHBondContact O-N 2.92Å; D668-V670 PolarHBondContact O-N 3.5Å; V670-M673 PolarHBondContact O-N 3.09Å; V670-D674 PolarHBondContact O-N 2.87Å; V670-D674 VanDerWaalsContact O-N 3.08Å |
| 671 | Q | 87.4 | Confident | 85.2 | Confident | 85 Ų | 85 | 43.8 Ų | 43.8 | 40% | 0.397 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.1 | -45.5 | 179.1 | -174.8 | 178.6 | 18 | 0 | 0 | 112.7 | D667 D668 C669 M673 D674 Q675 | D667-Q671 PolarHBondContact O-N 3.1Å; D668-Q671 PolarHBondContact O-N 3.23Å; C669-Q671 VanDerWaalsContact C-N 3.31Å; C669-Q671 PolarHBondContact O-N 2.89Å; Q671-M673 VanDerWaalsContact C-N 3.27Å; Q671-M673 PolarHBondContact O-N 3.42Å; Q671-D674 PolarHBondContact O-N 3.44Å; Q671-Q675 WeakPolarHBondContact O-CG 3.14Å; Q671-Q675 PolarHBondContact O-N 3.42Å |
| 672 | R | 86.4 | Confident | 84.9 | Confident | 48 Ų | 48 | 44 Ų | 44 | 18% | 0.181 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.4 | -37.5 | 177.7 | -78.5 | -168.3 | -80.9 | 156.8 | -4.3 | 112 | D668 C669 A676 V684 K685 L686 | D668-R672 PolarHBondContact O-N 3.17Å; D668-R672 IonicContact OD2-CZ 3.11Å; D668-R672 IonicContact OD2-NE 3.16Å; D668-R672 PolarHBondContact OD2-NE 3.39Å; D668-R672 IonicContact OD2-NH2 2.69Å; D668-R672 PolarHBondContact OD2-NH2 2.87Å; C669-R672 PolarHBondContact O-N 3.08Å; R672-A676 PolarHBondContact O-N 3.13Å; R672-V684 HydrophobicContact CB-CG1 4.26Å; R672-K685 PolarHBondContact NH1-O 3.45Å; R672-L686 HydrophobicContact CB-CD2 4.46Å; R672-L686 PolarHBondContact NH1-O 3.31Å; R672-L686 PolarHBondContact NH2-O 2.73Å |
| 673 | M | 87.7 | Confident | 84.4 | Confident | 17 Ų | 17 | 48.3 Ų | 48.3 | 8% | 0.084 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.6 | -36.6 | 175.6 | -72.2 | 179 | 56.3 | 0 | 0 | 112.8 | R587 A590 T591 C669 V670 Q671 V681 V684 L686 | R587-M673 HydrophobicContact CG-CE 3.7Å; R587-M673 HydrophobicContact CG-SD 4.08Å; R587-M673 WeakPolarHBondContact O-CE 3.39Å; A590-M673 HydrophobicContact CB-CE 4.14Å; A590-M673 HydrophobicContact CB-SD 3.34Å; A590-M673 WeakPolarHBondContact CB-SD 3.37Å; T591-M673 WeakPolarHBondContact OG1-CE 3.27Å; C669-M673 VanDerWaalsContact O-CG 3.32Å; C669-M673 WeakPolarHBondContact O-CG 3.42Å; C669-M673 PolarHBondContact O-N 3.43Å; C669-M673 VanDerWaalsContact O-N 3.09Å; V670-M673 PolarHBondContact O-N 3.09Å; Q671-M673 VanDerWaalsContact C-N 3.27Å; Q671-M673 PolarHBondContact O-N 3.42Å; M673-V681 HydrophobicContact CE-CG1 3.84Å; M673-V684 HydrophobicContact CG-CG1 4.46Å; M673-L686 HydrophobicContact CG-CD1 4.42Å; M673-L686 HydrophobicContact CG-CD2 3.98Å; M673-L686 HydrophobicContact SD-CD1 3.88Å; M673-L686 HydrophobicContact SD-CD2 4.42Å |
| 674 | D | 84.5 | Confident | 84.1 | Confident | 83 Ų | 83 | 49 Ų | 49 | 44% | 0.444 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -69.5 | -41 | 176.8 | -164.8 | 47.6 | 0 | 0 | 0 | 111.7 | K594 V670 Q671 A676 G677 | K594-D674 VanDerWaalsContact CE-OD1 3.25Å; K594-D674 WeakPolarHBondContact CE-OD1 3.14Å; K594-D674 IonicContact NZ-OD1 2.73Å; K594-D674 PolarHBondContact NZ-OD1 3Å; V670-D674 PolarHBondContact O-N 2.87Å; V670-D674 VanDerWaalsContact O-N 3.08Å; Q671-D674 PolarHBondContact O-N 3.44Å; D674-A676 VanDerWaalsContact C-N 3.35Å; D674-A676 PolarHBondContact O-N 3.23Å; D674-G677 PolarHBondContact O-N 3.36Å |
| 675 | Q | 84.9 | Confident | 84 | Confident | 137 Ų | 137 | 53.8 Ų | 53.8 | 64% | 0.64 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -65 | -32.9 | 178.4 | -73.2 | 174.4 | -4.9 | 0 | 0 | 114 | Q671 G677 | Q671-Q675 WeakPolarHBondContact O-CG 3.14Å; Q671-Q675 PolarHBondContact O-N 3.42Å; Q675-G677 VanDerWaalsContact C-N 3.27Å; Q675-G677 PolarHBondContact O-N 3.04Å |
| 676 | A | 82.7 | Confident | 83.8 | Confident | 41 Ų | 41 | 53.4 Ų | 53.4 | 34% | 0.339 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -71.9 | -20.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R672 D674 A680 V684 | R672-A676 PolarHBondContact O-N 3.13Å; D674-A676 VanDerWaalsContact C-N 3.35Å; D674-A676 PolarHBondContact O-N 3.23Å; A676-A680 HydrophobicContact CB-CB 4.11Å; A676-A680 WeakPolarHBondContact O-CB 3.29Å; A676-V684 HydrophobicContact CB-CG2 3.2Å |
| 677 | G | 77.4 | Confident | 83.5 | Confident | 33 Ų | 33 | 53.8 Ų | 53.8 | 34% | 0.34 | 31% | 0.307 | S | S | . | . | trans | 71.5 | 162.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D674 Q675 A679 A680 V681 | D674-G677 PolarHBondContact O-N 3.36Å; Q675-G677 VanDerWaalsContact C-N 3.27Å; Q675-G677 PolarHBondContact O-N 3.04Å; G677-A679 VanDerWaalsContact C-N 3.3Å; G677-A679 PolarHBondContact O-N 3.07Å; G677-A679 VanDerWaalsContact O-N 3.16Å; G677-A680 PolarHBondContact O-N 2.94Å; G677-V681 VanDerWaalsContact O-CG2 3.27Å; G677-V681 WeakPolarHBondContact O-CG2 3.42Å; G677-V681 PolarHBondContact O-N 3.46Å | ||
| 678 | E | 73.2 | Confident | 82.4 | Confident | 165 Ų | 165 | 56.6 Ų | 56.6 | 77% | 0.771 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -37.3 | -169.6 | -70.2 | -166.5 | 160.9 | 0 | 0 | 114.5 | A680 | E678-A680 PolarHBondContact O-N 3.29Š|
| 679 | A | 67.5 | Low | 81.2 | Confident | 107 Ų | 107 | 59.4 Ų | 59.4 | 88% | 0.884 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -28.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G677 | G677-A679 VanDerWaalsContact C-N 3.3Å; G677-A679 PolarHBondContact O-N 3.07Å; G677-A679 VanDerWaalsContact O-N 3.16Å |
| 680 | A | 77 | Confident | 79.4 | Confident | 41 Ų | 41 | 61.8 Ų | 61.8 | 34% | 0.339 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -4.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A676 G677 E678 A682 N683 V684 | A676-A680 HydrophobicContact CB-CB 4.11Å; A676-A680 WeakPolarHBondContact O-CB 3.29Å; G677-A680 PolarHBondContact O-N 2.94Å; E678-A680 PolarHBondContact O-N 3.29Å; A680-A682 PolarHBondContact O-N 3.03Å; A680-A682 VanDerWaalsContact O-N 3.1Å; A680-N683 PolarHBondContact O-N 2.79Å; A680-V684 WeakPolarHBondContact O-CG2 3.47Å; A680-V684 PolarHBondContact O-N 2.76Å |
| 681 | V | 79.1 | Confident | 77.3 | Confident | 27 Ų | 27 | 67.4 Ų | 67.4 | 16% | 0.164 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -51.3 | -39.6 | -175.5 | 177.1 | 0 | 0 | 0 | 0 | 112.9 | R587 M673 G677 N683 V684 | R587-V681 WeakPolarHBondContact CD-O 3.26Å; R587-V681 HydrophobicContact CG-CG1 4.34Å; R587-V681 PolarHBondContact NE-O 3.48Å; M673-V681 HydrophobicContact CE-CG1 3.84Å; G677-V681 VanDerWaalsContact O-CG2 3.27Å; G677-V681 WeakPolarHBondContact O-CG2 3.42Å; G677-V681 PolarHBondContact O-N 3.46Å; V681-N683 PolarHBondContact O-N 2.84Å; V681-V684 PolarHBondContact O-N 3.12Å |
| 682 | A | 76.7 | Confident | 75.3 | Confident | 37 Ų | 37 | 67.9 Ų | 67.9 | 31% | 0.306 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -65.2 | -25.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L533 A680 | L533-A682 HydrophobicContact CD1-CB 4.22Å; A680-A682 PolarHBondContact O-N 3.03Å; A680-A682 VanDerWaalsContact O-N 3.1Å |
| 683 | N | 79.7 | Confident | 73.5 | Confident | 143 Ų | 143 | 66.4 Ų | 66.4 | 77% | 0.765 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -105.6 | -3.1 | -174.7 | -63.4 | -19.3 | 0 | 0 | 0 | 113.2 | A680 V681 K685 | A680-N683 PolarHBondContact O-N 2.79Å; V681-N683 PolarHBondContact O-N 2.84Å; N683-K685 PolarHBondContact O-N 2.95Å; N683-K685 VanDerWaalsContact O-N 3.14Å |
| 684 | V | 84.6 | Confident | 71.5 | Confident | 19 Ų | 19 | 70 Ų | 70 | 12% | 0.115 | 42% | 0.419 | C | S | . | . | trans | -65.7 | 115.5 | 175.3 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | R587 R672 M673 A676 A680 V681 L686 | R587-V684 PolarHBondContact NH2-O 2.53Å; R672-V684 HydrophobicContact CB-CG1 4.26Å; M673-V684 HydrophobicContact CG-CG1 4.46Å; A676-V684 HydrophobicContact CB-CG2 3.2Å; A680-V684 WeakPolarHBondContact O-CG2 3.47Å; A680-V684 PolarHBondContact O-N 2.76Å; V681-V684 PolarHBondContact O-N 3.12Å; V684-L686 HydrophobicContact CG1-CD2 3.74Å; V684-L686 HydrophobicContact CG1-CG 4.44Å | ||
| 685 | K | 86.4 | Confident | 70 | Confident | 108 Ų | 108 | 69.1 Ų | 69.1 | 47% | 0.47 | 41% | 0.411 | S | S | . | . | trans | -81 | 117.6 | 174.9 | -162.9 | 170.1 | 176.8 | -139.8 | 0 | 109.5 | R672 N683 D688 | R672-K685 PolarHBondContact NH1-O 3.45Å; N683-K685 PolarHBondContact O-N 2.95Å; N683-K685 VanDerWaalsContact O-N 3.14Å; K685-D688 WeakPolarHBondContact CD-OD1 3.35Å; K685-D688 WeakPolarHBondContact CE-OD1 3.26Å; K685-D688 IonicContact NZ-OD1 3.66Å; K685-D688 PolarHBondContact NZ-OD1 3.34Å | ||
| 686 | L | 88 | Confident | 68.5 | Low | 3 Ų | 3 | 69.2 Ų | 69.2 | 2% | 0.016 | 42% | 0.416 | C | S | . | . | trans | -101.1 | -37.9 | -176.2 | -59.3 | 175.1 | 0 | 0 | 0 | 111 | E583 L586 R587 C669 R672 M673 V684 | E583-L686 HydrophobicContact CG-CB 4.14Å; E583-L686 HydrophobicContact CG-CG 4.5Å; E583-L686 PolarHBondContact OE2-N 2.95Å; L586-L686 HydrophobicContact CD2-CB 3.93Å; L586-L686 HydrophobicContact CD2-CD1 4.16Å; L586-L686 HydrophobicContact CG-CD1 4.05Å; R587-L686 HydrophobicContact CB-CD1 4.08Å; C669-L686 HydrophobicContact CB-CD2 4.12Å; R672-L686 HydrophobicContact CB-CD2 4.46Å; R672-L686 PolarHBondContact NH1-O 3.31Å; R672-L686 PolarHBondContact NH2-O 2.73Å; M673-L686 HydrophobicContact CG-CD1 4.42Å; M673-L686 HydrophobicContact CG-CD2 3.98Å; M673-L686 HydrophobicContact SD-CD1 3.88Å; M673-L686 HydrophobicContact SD-CD2 4.42Å; V684-L686 HydrophobicContact CG1-CD2 3.74Å; V684-L686 HydrophobicContact CG1-CG 4.44Å | ||
| 687 | L | 86.1 | Confident | 67.5 | Low | 8 Ų | 8 | 73.1 Ų | 73.1 | 4% | 0.042 | 43% | 0.427 | C | S | . | . | trans | -104.3 | 104.6 | 177.3 | -62.3 | 175.8 | 0 | 0 | 0 | 109.4 | P402 L403 L579 Q582 E583 L586 F665 | P402-L687 HydrophobicContact CG-CD2 3.76Å; L403-L687 HydrophobicContact CD1-CD1 3.97Å; L403-L687 HydrophobicContact CD1-CD2 4.08Å; L403-L687 HydrophobicContact CG-CD2 4.18Å; L579-L687 HydrophobicContact CD2-CD1 4.45Å; Q582-L687 HydrophobicContact CB-CD1 3.87Å; E583-L687 HydrophobicContact CB-CD1 4Å; E583-L687 HydrophobicContact CB-CG 4.35Å; E583-L687 PolarHBondContact OE2-N 2.73Å; L586-L687 HydrophobicContact CD2-CD2 4.09Å; L586-L687 HydrophobicContact CD2-CG 4.12Å; F665-L687 HydrophobicContact CE1-CD2 4.26Å; F665-L687 HydrophobicContact CZ-CD2 3.69Å | ||
| 688 | D | 69.8 | Low | 67.3 | Low | 68 Ų | 68 | 73.6 Ų | 73.6 | 36% | 0.364 | 43% | 0.428 | S | S | . | . | trans | -95.2 | 125 | 171.1 | -79.8 | -37.7 | 0 | 0 | 0 | 110 | K685 D690 K761 | K685-D688 WeakPolarHBondContact CD-OD1 3.35Å; K685-D688 WeakPolarHBondContact CE-OD1 3.26Å; K685-D688 IonicContact NZ-OD1 3.66Å; K685-D688 PolarHBondContact NZ-OD1 3.34Å; D688-D690 PolarHBondContact O-N 3.32Å; D688-K761 IonicContact OD2-NZ 3.24Å; D688-K761 PolarHBondContact OD2-NZ 3.02Å | ||
| 689 | P | 61.7 | Low | 67.5 | Low | 72 Ų | 72 | 67.9 Ų | 67.9 | 47% | 0.468 | 40% | 0.404 | S | S | . | . | trans | -60 | 128.4 | 159.9 | 26.1 | -29.9 | 0 | 0 | 0 | 107.7 | P691 | P689-P691 VanDerWaalsContact O-CD 3.24Å; P689-P691 WeakPolarHBondContact O-CD 3.27Å; P689-P691 VanDerWaalsContact O-N 3.15Å | ||
| 690 | D | 54.9 | Low | 68.3 | Low | 49 Ų | 49 | 66.8 Ų | 66.8 | 26% | 0.262 | 38% | 0.383 | S | S | . | . | trans | -63.9 | 111.7 | -178.4 | -168.3 | -20.9 | 0 | 0 | 0 | 109.5 | D688 S692 V693 K757 | D688-D690 PolarHBondContact O-N 3.32Å; D690-S692 VanDerWaalsContact CG-OG 3.24Å; D690-S692 PolarHBondContact O-N 3.45Å; D690-S692 WeakPolarHBondContact OD1-CB 3.09Å; D690-S692 PolarHBondContact OD1-N 2.86Å; D690-S692 VanDerWaalsContact OD1-N 3.11Å; D690-S692 PolarHBondContact OD1-OG 2.96Å; D690-V693 HydrophobicContact CB-CG2 3.93Å; D690-V693 PolarHBondContact O-N 2.92Å; D690-K757 WeakPolarHBondContact OD2-CE 3.45Å; D690-K757 IonicContact OD2-NZ 3.27Å; D690-K757 PolarHBondContact OD2-NZ 3.37Å | ||
| 691 | P | 48.7 | Very low | 68.8 | Low | 124 Ų | 124 | 67 Ų | 67 | 81% | 0.805 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -14.9 | -176.2 | 29.3 | -34.8 | 0 | 0 | 0 | 112 | P689 V693 | P689-P691 VanDerWaalsContact O-CD 3.24Å; P689-P691 WeakPolarHBondContact O-CD 3.27Å; P689-P691 VanDerWaalsContact O-N 3.15Å; P691-V693 VanDerWaalsContact C-N 3.28Å |
| 692 | S | 43.5 | Very low | 69.3 | Low | 95 Ų | 95 | 68.5 Ų | 68.5 | 66% | 0.664 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -14.6 | 178.9 | 70.7 | 0 | 0 | 0 | 0 | 113.2 | D690 D694 | D690-S692 VanDerWaalsContact CG-OG 3.24Å; D690-S692 PolarHBondContact O-N 3.45Å; D690-S692 WeakPolarHBondContact OD1-CB 3.09Å; D690-S692 PolarHBondContact OD1-N 2.86Å; D690-S692 VanDerWaalsContact OD1-N 3.11Å; D690-S692 PolarHBondContact OD1-OG 2.96Å; S692-D694 PolarHBondContact O-N 3.2Å; S692-D694 VanDerWaalsContact O-N 3.12Å |
| 693 | V | 49.1 | Very low | 69.7 | Low | 18 Ų | 18 | 67.9 Ų | 67.9 | 11% | 0.109 | 38% | 0.384 | C | S | . | . | trans | -84.3 | 87.5 | 176.3 | -173.9 | 0 | 0 | 0 | 0 | 108 | P382 D690 P691 F695 | P382-V693 HydrophobicContact CB-CG1 3.84Å; P382-V693 HydrophobicContact CG-CG1 3.93Å; D690-V693 HydrophobicContact CB-CG2 3.93Å; D690-V693 PolarHBondContact O-N 2.92Å; P691-V693 VanDerWaalsContact C-N 3.28Å; V693-F695 HydrophobicContact CG1-CD1 4.23Å; V693-F695 HydrophobicContact CG1-CE1 3.99Å; V693-F695 HydrophobicContact CG1-CZ 4.2Å; V693-F695 WeakPolarHBondContact O-CD2 3.28Å; V693-F695 PolarHBondContact O-N 3.21Å | ||
| 694 | D | 45.6 | Very low | 69.7 | Low | 92 Ų | 92 | 63.2 Ų | 63.2 | 49% | 0.492 | 36% | 0.361 | S | S | . | . | trans | -67.1 | 101.3 | 170.4 | -152.1 | -7.4 | 0 | 0 | 0 | 108.3 | S692 D696 H697 | S692-D694 PolarHBondContact O-N 3.2Å; S692-D694 VanDerWaalsContact O-N 3.12Å; D694-D696 PolarHBondContact O-N 2.98Å; D694-H697 PolarHBondContact O-N 2.92Å | ||
| 695 | F | 53.3 | Low | 69.5 | Low | 65 Ų | 65 | 71.2 Ų | 71.2 | 29% | 0.285 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -3.6 | -177.3 | -71.2 | -74.1 | 0 | 0 | 0 | 113.1 | R383 V693 H697 | R383-F695 PolarHBondContact NH1-O 3.43Å; V693-F695 HydrophobicContact CG1-CD1 4.23Å; V693-F695 HydrophobicContact CG1-CE1 3.99Å; V693-F695 HydrophobicContact CG1-CZ 4.2Å; V693-F695 WeakPolarHBondContact O-CD2 3.28Å; V693-F695 PolarHBondContact O-N 3.21Å; F695-H697 PolarHBondContact O-N 3.01Å |
| 696 | D | 53.4 | Low | 68.9 | Low | 138 Ų | 138 | 67.3 Ų | 67.3 | 74% | 0.738 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -16.6 | 179.3 | -76.5 | -2.5 | 0 | 0 | 0 | 113 | D694 A698 | D694-D696 PolarHBondContact O-N 2.98Å; D696-A698 PolarHBondContact O-N 3.36Å; D696-A698 VanDerWaalsContact O-N 3.07Å |
| 697 | H | 62.4 | Low | 67.9 | Low | 123 Ų | 123 | 73.3 Ų | 73.3 | 57% | 0.569 | 42% | 0.423 | S | S | * | . | trans | -85.9 | 73.5 | 177.1 | -63.3 | -39.6 | 0 | 0 | 0 | 112.9 | D694 F695 | D694-H697 PolarHBondContact O-N 2.92Å; F695-H697 PolarHBondContact O-N 3.01Å | ||
| 698 | A | 72.7 | Confident | 67.2 | Low | 44 Ų | 44 | 78.2 Ų | 78.2 | 36% | 0.364 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 135 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | R383 L385 D696 | R383-A698 HydrophobicContact CB-CB 4.24Å; R383-A698 HydrophobicContact CG-CB 4.09Å; R383-A698 WeakPolarHBondContact O-CA 3.27Å; L385-A698 HydrophobicContact CD1-CB 3.88Å; L385-A698 HydrophobicContact CG-CB 4.22Å; D696-A698 PolarHBondContact O-N 3.36Å; D696-A698 VanDerWaalsContact O-N 3.07Å |
| 699 | V | 78.7 | Confident | 67.3 | Low | 44 Ų | 44 | 77.8 Ų | 77.8 | 27% | 0.267 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 129.3 | 173.5 | -172.7 | 0 | 0 | 0 | 0 | 109.4 | R381 R383 L385 F701 | R381-V699 HydrophobicContact CG-CG2 4.33Å; R383-V699 PolarHBondContact O-N 2.94Å; R383-V699 VanDerWaalsContact O-N 3.12Å; L385-V699 PolarHBondContact N-O 3.23Å; V699-F701 HydrophobicContact CB-CE2 3.86Å; V699-F701 HydrophobicContact CB-CZ 4.48Å; V699-F701 HydrophobicContact CG1-CD2 4.23Å; V699-F701 HydrophobicContact CG1-CE2 3.4Å; V699-F701 HydrophobicContact CG1-CZ 3.65Å |
| 700 | I | 83.7 | Confident | 68.3 | Low | 84 Ų | 84 | 76.2 Ų | 76.2 | 43% | 0.431 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 133.2 | -178.8 | -56 | 172.6 | 0 | 0 | 0 | 110 | L385 Q387 | L385-I700 HydrophobicContact CB-CG1 3.99Å; L385-I700 HydrophobicContact CD1-CG1 4Å; L385-I700 CarbonylContact O-C 3.52Å; L385-I700 VanDerWaalsContact O-CA 3.29Å; L385-I700 WeakPolarHBondContact O-CA 3.45Å; Q387-I700 HydrophobicContact CB-CG2 4.2Å |
| 701 | F | 88.1 | Confident | 69.8 | Low | 47 Ų | 47 | 80.2 Ų | 80.2 | 21% | 0.206 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 135.9 | 172.6 | -65.4 | -93.1 | 0 | 0 | 0 | 109.1 | F369 V374 P375 V384 L385 V386 Q387 V699 | F369-F701 HydrophobicContact CZ-CB 4.07Å; V374-F701 HydrophobicContact CG2-CB 4.37Å; P375-F701 HydrophobicContact CG-CD2 4.37Å; P375-F701 HydrophobicContact CG-CE1 3.94Å; P375-F701 HydrophobicContact CG-CE2 3.5Å; P375-F701 HydrophobicContact CG-CZ 3.27Å; V384-F701 HydrophobicContact CG1-CD2 3.7Å; V384-F701 HydrophobicContact CG1-CE2 3.92Å; L385-F701 PolarHBondContact O-N 3.46Å; V386-F701 CarbonylContact C-O 3.58Å; V386-F701 WeakPolarHBondContact CA-O 3.16Å; Q387-F701 PolarHBondContact N-O 3.28Å; V699-F701 HydrophobicContact CB-CE2 3.86Å; V699-F701 HydrophobicContact CB-CZ 4.48Å; V699-F701 HydrophobicContact CG1-CD2 4.23Å; V699-F701 HydrophobicContact CG1-CE2 3.4Å; V699-F701 HydrophobicContact CG1-CZ 3.65Å |
| 702 | A | 88.3 | Confident | 71.8 | Confident | 57 Ų | 57 | 76.7 Ų | 76.7 | 47% | 0.471 | 45% | 0.447 | S | S | . | . | trans | -121.8 | 148.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109 | F369 Q387 | F369-A702 VanDerWaalsContact CE2-O 3.25Å; F369-A702 WeakPolarHBondContact CE2-O 3.35Å; F369-A702 VanDerWaalsContact CZ-O 3.26Å; F369-A702 WeakPolarHBondContact CZ-O 3.2Å; Q387-A702 HydrophobicContact CB-CB 4.29Å | ||
| 703 | P | 85.1 | Confident | 73.9 | Confident | 25 Ų | 25 | 74.3 Ų | 74.3 | 16% | 0.162 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -53 | 145.8 | 171.3 | -23.3 | 30.9 | 0 | 0 | 0 | 111 | L361 Y366 F369 Q387 L388 | L361-P703 HydrophobicContact CD1-CB 3.68Å; Y366-P703 HydrophobicContact CD1-CB 4.46Å; Y366-P703 HydrophobicContact CD1-CG 3.89Å; Y366-P703 HydrophobicContact CE1-CB 4.16Å; Y366-P703 HydrophobicContact CE1-CG 3.61Å; F369-P703 HydrophobicContact CD1-CB 4.29Å; F369-P703 HydrophobicContact CD1-CG 3.99Å; F369-P703 HydrophobicContact CE1-CB 4.4Å; F369-P703 HydrophobicContact CE1-CG 3.88Å; F369-P703 HydrophobicContact CG-CB 4.47Å; F369-P703 HydrophobicContact CZ-CG 4.47Å; Q387-P703 WeakPolarHBondContact O-CD 3.46Å; L388-P703 HydrophobicContact CD2-CG 3.83Å |
| 704 | P | 80.5 | Confident | 75.9 | Confident | 44 Ų | 44 | 74.9 Ų | 74.9 | 29% | 0.286 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 148.3 | 179.7 | 26.3 | -33.4 | 0 | 0 | 0 | 111.4 | L361 | L361-P704 WeakPolarHBondContact CD1-O 3.36Å; L361-P704 WeakPolarHBondContact CD2-O 3.4Å |
| 705 | E | 78.8 | Confident | 77.9 | Confident | 187 Ų | 187 | 77.8 Ų | 77.8 | 87% | 0.874 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 147.2 | 174.3 | -66.3 | -177.1 | 175.1 | 0 | 0 | 111.4 | P707 | E705-P707 WeakPolarHBondContact O-CD 3.43Š|
| 706 | S | 74 | Confident | 79.4 | Confident | 27 Ų | 27 | 81.5 Ų | 81.5 | 19% | 0.189 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 120.3 | -178.9 | -176.1 | 0 | 0 | 0 | 0 | 110.7 | S360 T708 G709 | S360-S706 WeakPolarHBondContact O-CB 3.41Å; S360-S706 PolarHBondContact O-OG 3.48Å; S706-T708 VanDerWaalsContact C-N 3.28Å; S706-T708 PolarHBondContact O-N 2.93Å; S706-G709 PolarHBondContact OG-N 2.8Å |
| 707 | P | 67.6 | Low | 81.1 | Confident | 128 Ų | 128 | 77.8 Ų | 77.8 | 83% | 0.831 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -70.9 | -24.7 | -179.2 | 25.3 | -31.3 | 0 | 0 | 0 | 112.9 | E705 | E705-P707 WeakPolarHBondContact O-CD 3.43Š|
| 708 | T | 71.3 | Confident | 82.6 | Confident | 111 Ų | 111 | 72.3 Ų | 72.3 | 68% | 0.681 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -103.8 | -11.8 | -172.5 | 53.5 | 0 | 0 | 0 | 0 | 113.9 | S706 A710 | S706-T708 VanDerWaalsContact C-N 3.28Å; S706-T708 PolarHBondContact O-N 2.93Å; T708-A710 PolarHBondContact O-N 2.84Å |
| 709 | G | 72.4 | Confident | 83.5 | Confident | 59 Ų | 59 | 71.7 Ų | 71.7 | 61% | 0.608 | 42% | 0.416 | S | S | * | . | trans | 64.3 | 13.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114 | S706 | S706-G709 PolarHBondContact OG-N 2.8Š| ||
| 710 | A | 82.1 | Confident | 84.1 | Confident | 39 Ų | 39 | 75.7 Ų | 75.7 | 32% | 0.322 | 44% | 0.435 | S | S | . | . | trans | -67.7 | 139 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S360 T708 F712 | S360-A710 CarbonylContact C-O 3.6Å; S360-A710 WeakPolarHBondContact CA-O 3.4Å; T708-A710 PolarHBondContact O-N 2.84Å; A710-F712 HydrophobicContact CB-CE2 4.05Å; A710-F712 HydrophobicContact CB-CZ 4.16Å | ||
| 711 | E | 87.8 | Confident | 84.5 | Confident | 133 Ų | 133 | 72.5 Ų | 72.5 | 62% | 0.621 | 42% | 0.419 | S | S | * | . | trans | -102.3 | 130.7 | 177.3 | -75.1 | -172.3 | 172.4 | 0 | 0 | 111.3 | K358 Y359 | K358-E711 HydrophobicContact CB-CB 4.16Å; K358-E711 HydrophobicContact CB-CG 4.46Å; K358-E711 HydrophobicContact CD-CB 4.27Å; K358-E711 WeakPolarHBondContact CD-OE2 3.29Å; K358-E711 IonicContact NZ-OE2 3.53Å; Y359-E711 CarbonylContact O-C 3.55Å; Y359-E711 WeakPolarHBondContact O-CA 3.36Å | ||
| 712 | F | 89.4 | Confident | 84.7 | Confident | 50 Ų | 50 | 75.5 Ų | 75.5 | 22% | 0.219 | 43% | 0.434 | C | S | . | . | B | Isolated β-bridge | trans | -112.5 | 130.4 | -179.5 | -59.2 | -89.4 | 0 | 0 | 0 | 110.8 | K358 Y359 P362 A710 Y714 L725 | K358-F712 VanDerWaalsContact CA-O 3.32Å; K358-F712 WeakPolarHBondContact CA-O 3.49Å; Y359-F712 PolarHBondContact N-O 3.14Å; Y359-F712 WeakPolarHBondContact O-CD2 3.3Å; Y359-F712 PolarHBondContact O-N 3.01Å; P362-F712 HydrophobicContact CB-CD1 3.91Å; P362-F712 HydrophobicContact CB-CD2 4.17Å; P362-F712 HydrophobicContact CB-CE1 3.97Å; P362-F712 HydrophobicContact CB-CE2 4.25Å; P362-F712 HydrophobicContact CB-CG 4.01Å; P362-F712 HydrophobicContact CB-CZ 4.14Å; P362-F712 HydrophobicContact CG-CE1 4.33Å; P362-F712 HydrophobicContact CG-CE2 4.18Å; P362-F712 HydrophobicContact CG-CZ 4.06Å; A710-F712 HydrophobicContact CB-CE2 4.05Å; A710-F712 HydrophobicContact CB-CZ 4.16Å; F712-Y714 HydrophobicContact CB-CE2 4.45Å; F712-L725 HydrophobicContact CE1-CD1 4.34Å; F712-L725 HydrophobicContact CE1-CD2 4.36Å |
| 713 | G | 88.7 | Confident | 84.6 | Confident | 45 Ų | 45 | 77.3 Ų | 77.3 | 46% | 0.464 | 43% | 0.429 | S | S | . | . | trans | -133.2 | 158.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 714 | Y | 90.6 | Very high | 84.7 | Confident | 31 Ų | 31 | 81 Ų | 81 | 12% | 0.122 | 46% | 0.455 | C | S | . | . | trans | -134.1 | 19.2 | -163.6 | -58.3 | -73.1 | 0 | 0 | 0 | 115.2 | C354 P362 V363 F712 Q716 K717 P719 | C354-Y714 HydrophobicContact CB-CD2 4.45Å; C354-Y714 HydrophobicContact CB-CG 4.42Å; P362-Y714 VanDerWaalsContact CA-OH 3.29Å; P362-Y714 WeakPolarHBondContact CA-OH 3.38Å; V363-Y714 HydrophobicContact CG2-CD2 4.48Å; V363-Y714 HydrophobicContact CG2-CE1 4.37Å; V363-Y714 HydrophobicContact CG2-CE2 3.68Å; V363-Y714 PolarHBondContact N-OH 3.26Å; F712-Y714 HydrophobicContact CB-CE2 4.45Å; Y714-Q716 PolarHBondContact O-N 3.13Å; Y714-K717 PolarHBondContact O-N 3.12Å; Y714-K717 VanDerWaalsContact O-O 3.05Å; Y714-P719 HydrophobicContact CD1-CB 3.86Å; Y714-P719 HydrophobicContact CD1-CG 3.58Å; Y714-P719 HydrophobicContact CE1-CB 4.19Å; Y714-P719 HydrophobicContact CE1-CG 3.7Å; Y714-P719 HydrophobicContact CG-CG 4.48Å | ||
| 715 | D | 86.7 | Confident | 85.2 | Confident | 153 Ų | 153 | 81.1 Ų | 81.1 | 82% | 0.818 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 36.5 | 172.9 | -56.6 | -23.4 | 0 | 0 | 0 | 115.2 | K717 | D715-K717 PolarHBondContact O-N 3Š|
| 716 | Q | 85.9 | Confident | 85.6 | Confident | 143 Ų | 143 | 72.3 Ų | 72.3 | 67% | 0.668 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 18.2 | -178.2 | -46.6 | -170.2 | 16.7 | 0 | 0 | 116 | C354 Y714 | C354-Q716 WeakPolarHBondContact O-CA 3.23Å; C354-Q716 PolarHBondContact O-N 3.31Å; Y714-Q716 PolarHBondContact O-N 3.13Å |
| 717 | K | 89.3 | Confident | 86.1 | Confident | 59 Ų | 59 | 72.7 Ų | 72.7 | 26% | 0.257 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -126.9 | 153.9 | 179.1 | -66.7 | -177.4 | -174.5 | -179.6 | 0 | 111.2 | E283 E286 C354 Y714 D715 | E283-K717 HydrophobicContact CG-CG 4.48Å; E283-K717 WeakPolarHBondContact OE1-CA 3.43Å; E286-K717 IonicContact OE1-NZ 2.84Å; E286-K717 PolarHBondContact OE1-NZ 3.28Å; E286-K717 IonicContact OE2-NZ 3.19Å; E286-K717 PolarHBondContact OE2-NZ 3.32Å; C354-K717 WeakPolarHBondContact CB-O 3.43Å; Y714-K717 PolarHBondContact O-N 3.12Å; Y714-K717 VanDerWaalsContact O-O 3.05Å; D715-K717 PolarHBondContact O-N 3Å |
| 718 | F | 93.3 | Very high | 86.5 | Confident | 9 Ų | 9 | 67.9 Ų | 67.9 | 4% | 0.039 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 124.8 | 173.2 | -162 | -88.5 | 0 | 0 | 0 | 109.8 | F22 V24 F281 E283 I331 C354 V363 L721 | F22-F718 HydrophobicContact CE1-CE1 4.37Å; F22-F718 HydrophobicContact CE1-CZ 4.08Å; F22-F718 AromaticContact CZ-CZ 3.92Å; F22-F718 HydrophobicContact CZ-CZ 3.92Å; V24-F718 HydrophobicContact CG1-CD1 4.42Å; V24-F718 HydrophobicContact CG2-CD1 4.21Å; V24-F718 HydrophobicContact CG2-CE1 3.76Å; F281-F718 HydrophobicContact CE2-CB 4.03Å; F281-F718 HydrophobicContact CZ-CB 3.7Å; F281-F718 HydrophobicContact CZ-CG 4.23Å; E283-F718 PolarHBondContact OE1-N 2.89Å; I331-F718 HydrophobicContact CD1-CE2 4.12Å; I331-F718 HydrophobicContact CG2-CD1 3.79Å; I331-F718 HydrophobicContact CG2-CD2 3.83Å; I331-F718 HydrophobicContact CG2-CE1 3.65Å; I331-F718 HydrophobicContact CG2-CE2 3.7Å; I331-F718 HydrophobicContact CG2-CG 3.88Å; I331-F718 HydrophobicContact CG2-CZ 3.61Å; C354-F718 HydrophobicContact CB-CD2 4.42Å; C354-F718 VanDerWaalsContact SG-CD2 3.56Å; V363-F718 HydrophobicContact CG1-CE2 4.26Å; V363-F718 HydrophobicContact CG1-CZ 4.03Å; F718-L721 HydrophobicContact CE1-CD2 4.15Å; F718-L721 HydrophobicContact CZ-CD2 4.41Å |
| 719 | P | 91.8 | Very high | 86.4 | Confident | 30 Ų | 30 | 72.2 Ų | 72.2 | 20% | 0.195 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 160.7 | -173.6 | 32.8 | -38.8 | 0 | 0 | 0 | 112.5 | Y714 | Y714-P719 HydrophobicContact CD1-CB 3.86Å; Y714-P719 HydrophobicContact CD1-CG 3.58Å; Y714-P719 HydrophobicContact CE1-CB 4.19Å; Y714-P719 HydrophobicContact CE1-CG 3.7Å; Y714-P719 HydrophobicContact CG-CG 4.48Å |
| 720 | L | 90.8 | Very high | 86 | Confident | 129 Ų | 129 | 73.3 Ų | 73.3 | 68% | 0.675 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -72.5 | 130.8 | 157.6 | -167.4 | 75.8 | 0 | 0 | 0 | 108 | D220 | D220-L720 HydrophobicContact CB-CD1 4.04Å; D220-L720 WeakPolarHBondContact OD2-CD1 3.45Å |
| 721 | L | 93.2 | Very high | 85.1 | Confident | 16 Ų | 16 | 73.5 Ų | 73.5 | 8% | 0.084 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 131.3 | -171.1 | -55.7 | 169 | 0 | 0 | 0 | 110.4 | F22 V24 D220 E364 I367 F718 F726 | F22-L721 HydrophobicContact CD1-CD1 3.9Å; F22-L721 HydrophobicContact CE1-CD1 4.01Å; V24-L721 HydrophobicContact CG2-CD1 4.24Å; D220-L721 WeakPolarHBondContact OD2-CA 3.4Å; D220-L721 WeakPolarHBondContact OD2-CB 3.42Å; D220-L721 PolarHBondContact OD2-N 2.85Å; E364-L721 HydrophobicContact CG-CB 4.18Å; E364-L721 HydrophobicContact CG-CD2 4.07Å; E364-L721 WeakPolarHBondContact OE1-CA 3.41Å; I367-L721 HydrophobicContact CD1-CD1 4.4Å; I367-L721 HydrophobicContact CD1-CD2 4.02Å; F718-L721 HydrophobicContact CE1-CD2 4.15Å; F718-L721 HydrophobicContact CZ-CD2 4.41Å; L721-F726 HydrophobicContact CB-CE2 4.15Å; L721-F726 HydrophobicContact CB-CZ 4.12Å; L721-F726 HydrophobicContact CD1-CZ 4.21Å |
| 722 | Q | 91.4 | Very high | 83.6 | Confident | 111 Ų | 111 | 70.1 Ų | 70.1 | 52% | 0.519 | 40% | 0.396 | S | S | . | . | trans | -96.6 | 113.6 | 177.8 | -63 | -174.7 | -3.5 | 0 | 0 | 110.7 | E364 S724 L725 F726 | E364-Q722 PolarHBondContact OE1-N 3.43Å; Q722-S724 PolarHBondContact O-N 3.01Å; Q722-L725 HydrophobicContact CB-CB 4.45Å; Q722-L725 HydrophobicContact CB-CD1 3.9Å; Q722-L725 HydrophobicContact CB-CG 3.91Å; Q722-L725 HydrophobicContact CG-CD1 4.43Å; Q722-L725 WeakPolarHBondContact O-CB 3.31Å; Q722-L725 PolarHBondContact O-N 3.37Å; Q722-F726 WeakPolarHBondContact O-CD2 3.41Å | ||
| 723 | Y | 86.6 | Confident | 82 | Confident | 94 Ų | 94 | 73.6 Ų | 73.6 | 37% | 0.369 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -57.5 | -29.8 | -174.5 | -157.7 | -96 | 0 | 0 | 0 | 113.9 | F222 L224 L725 | F222-Y723 HydrophobicContact CD2-CD2 4.26Å; F222-Y723 AromaticContact CD2-CE2 3.85Å; F222-Y723 HydrophobicContact CD2-CE2 3.85Å; F222-Y723 HydrophobicContact CE2-CD2 4.36Å; F222-Y723 AromaticContact CE2-CE2 3.75Å; F222-Y723 HydrophobicContact CE2-CE2 3.75Å; L224-Y723 HydrophobicContact CB-CE2 4.34Å; L224-Y723 HydrophobicContact CD1-CD2 3.49Å; L224-Y723 VanDerWaalsContact CD1-CD2 3.49Å; L224-Y723 HydrophobicContact CD1-CE2 3.7Å; L224-Y723 HydrophobicContact CD1-CG 4.07Å; L224-Y723 HydrophobicContact CG-CD2 3.8Å; L224-Y723 HydrophobicContact CG-CE2 3.76Å; Y723-L725 VanDerWaalsContact C-N 3.28Å; Y723-L725 PolarHBondContact O-N 3.2Å |
| 724 | S | 87.5 | Confident | 80.2 | Confident | 102 Ų | 102 | 75.2 Ų | 75.2 | 71% | 0.713 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -66.3 | -24.7 | 175.7 | 48.6 | 0 | 0 | 0 | 0 | 113.8 | Q722 | Q722-S724 PolarHBondContact O-N 3.01Š|
| 725 | L | 89.5 | Confident | 78.1 | Confident | 47 Ų | 47 | 76.9 Ų | 76.9 | 25% | 0.246 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -85.2 | -8.2 | -176.4 | -62.3 | -176.1 | 0 | 0 | 0 | 114 | P362 E364 F712 Q722 Y723 G727 | P362-L725 HydrophobicContact CB-CB 4.3Å; P362-L725 HydrophobicContact CB-CD1 4.03Å; P362-L725 HydrophobicContact CG-CB 4.03Å; P362-L725 HydrophobicContact CG-CD1 4.48Å; E364-L725 HydrophobicContact CB-CB 3.88Å; E364-L725 HydrophobicContact CG-CB 4.09Å; F712-L725 HydrophobicContact CE1-CD1 4.34Å; F712-L725 HydrophobicContact CE1-CD2 4.36Å; Q722-L725 HydrophobicContact CB-CB 4.45Å; Q722-L725 HydrophobicContact CB-CD1 3.9Å; Q722-L725 HydrophobicContact CB-CG 3.91Å; Q722-L725 HydrophobicContact CG-CD1 4.43Å; Q722-L725 WeakPolarHBondContact O-CB 3.31Å; Q722-L725 PolarHBondContact O-N 3.37Å; Y723-L725 VanDerWaalsContact C-N 3.28Å; Y723-L725 PolarHBondContact O-N 3.2Å; L725-G727 VanDerWaalsContact C-N 3.27Å; L725-G727 PolarHBondContact O-N 2.81Å |
| 726 | F | 88.9 | Confident | 76.2 | Confident | 3 Ų | 3 | 76.7 Ų | 76.7 | 1% | 0.013 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -72.4 | -17.1 | 177.7 | -73.7 | -91.9 | 0 | 0 | 0 | 113.5 | F222 E364 I367 S368 L721 Q722 M728 | F222-F726 HydrophobicContact CB-CE1 3.9Å; F222-F726 HydrophobicContact CB-CZ 3.8Å; F222-F726 HydrophobicContact CD1-CD1 4.05Å; F222-F726 AromaticContact CD1-CE1 3.7Å; F222-F726 HydrophobicContact CD1-CE1 3.7Å; F222-F726 HydrophobicContact CD1-CZ 4.42Å; F222-F726 AromaticContact CD2-CD1 3.7Å; F222-F726 HydrophobicContact CD2-CD1 3.7Å; F222-F726 HydrophobicContact CD2-CD2 4.05Å; F222-F726 AromaticContact CD2-CE1 3.46Å; F222-F726 HydrophobicContact CD2-CE1 3.46Å; F222-F726 VanDerWaalsContact CD2-CE1 3.46Å; F222-F726 AromaticContact CD2-CE2 3.84Å; F222-F726 HydrophobicContact CD2-CE2 3.84Å; F222-F726 AromaticContact CD2-CG 3.98Å; F222-F726 HydrophobicContact CD2-CG 3.98Å; F222-F726 AromaticContact CD2-CZ 3.53Å; F222-F726 HydrophobicContact CD2-CZ 3.53Å; F222-F726 AromaticContact CE1-CD1 3.87Å; F222-F726 HydrophobicContact CE1-CD1 3.87Å; F222-F726 HydrophobicContact CE1-CE1 4.02Å; F222-F726 HydrophobicContact CE2-CB 4.16Å; F222-F726 AromaticContact CE2-CD1 3.52Å; F222-F726 HydrophobicContact CE2-CD1 3.52Å; F222-F726 HydrophobicContact CE2-CD2 4.03Å; F222-F726 AromaticContact CE2-CE1 3.82Å; F222-F726 HydrophobicContact CE2-CE1 3.82Å; F222-F726 HydrophobicContact CE2-CE2 4.29Å; F222-F726 AromaticContact CE2-CG 3.62Å; F222-F726 HydrophobicContact CE2-CG 3.62Å; F222-F726 HydrophobicContact CE2-CZ 4.19Å; F222-F726 AromaticContact CG-CD1 3.95Å; F222-F726 HydrophobicContact CG-CD1 3.95Å; F222-F726 AromaticContact CG-CE1 3.39Å; F222-F726 HydrophobicContact CG-CE1 3.39Å; F222-F726 HydrophobicContact CG-CE2 4.42Å; F222-F726 AromaticContact CG-CZ 3.66Å; F222-F726 HydrophobicContact CG-CZ 3.66Å; F222-F726 HydrophobicContact CZ-CB 4.34Å; F222-F726 AromaticContact CZ-CD1 3.6Å; F222-F726 HydrophobicContact CZ-CD1 3.6Å; F222-F726 HydrophobicContact CZ-CE1 4.07Å; F222-F726 HydrophobicContact CZ-CG 4.02Å; E364-F726 HydrophobicContact CB-CD1 3.97Å; E364-F726 HydrophobicContact CB-CD2 3.78Å; E364-F726 HydrophobicContact CB-CE1 3.98Å; E364-F726 HydrophobicContact CB-CE2 3.8Å; E364-F726 HydrophobicContact CB-CG 3.88Å; E364-F726 HydrophobicContact CB-CZ 3.9Å; E364-F726 HydrophobicContact CG-CD2 3.93Å; E364-F726 HydrophobicContact CG-CE1 4.33Å; E364-F726 HydrophobicContact CG-CE2 3.52Å; E364-F726 HydrophobicContact CG-CZ 3.75Å; E364-F726 WeakPolarHBondContact O-CD1 3.28Å; I367-F726 HydrophobicContact CB-CD1 4.48Å; I367-F726 HydrophobicContact CB-CE1 3.88Å; I367-F726 HydrophobicContact CD1-CE1 4.38Å; I367-F726 HydrophobicContact CG2-CE1 3.84Å; S368-F726 VanDerWaalsContact CB-O 3.27Å; S368-F726 WeakPolarHBondContact CB-O 3.24Å; S368-F726 PolarHBondContact OG-O 2.84Å; L721-F726 HydrophobicContact CB-CE2 4.15Å; L721-F726 HydrophobicContact CB-CZ 4.12Å; L721-F726 HydrophobicContact CD1-CZ 4.21Å; Q722-F726 WeakPolarHBondContact O-CD2 3.41Å; F726-M728 HydrophobicContact CB-CG 3.86Å; F726-M728 HydrophobicContact CB-SD 4.48Å |
| 727 | G | 82.6 | Confident | 73.9 | Confident | 34 Ų | 34 | 74.5 Ų | 74.5 | 35% | 0.351 | 41% | 0.413 | S | S | . | . | trans | 70.7 | 38.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L725 E729 | L725-G727 VanDerWaalsContact C-N 3.27Å; L725-G727 PolarHBondContact O-N 2.81Å; G727-E729 PolarHBondContact O-N 3.19Å | ||
| 728 | M | 76.4 | Confident | 71.5 | Confident | 28 Ų | 28 | 75.9 Ų | 75.9 | 14% | 0.138 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -74.8 | -4.6 | -172.7 | -71 | -59.6 | -67.5 | 0 | 0 | 115.4 | F222 F372 F726 A730 Y731 | F222-M728 HydrophobicContact CE2-CG 4.45Å; F222-M728 HydrophobicContact CE2-SD 4.37Å; F222-M728 HydrophobicContact CZ-CE 4.47Å; F222-M728 HydrophobicContact CZ-CG 4.43Å; F222-M728 HydrophobicContact CZ-SD 3.8Å; F372-M728 HydrophobicContact CD2-SD 4.28Å; F372-M728 HydrophobicContact CE2-CE 4.03Å; F372-M728 HydrophobicContact CE2-SD 3.85Å; F372-M728 HydrophobicContact CZ-CE 4.25Å; F726-M728 HydrophobicContact CB-CG 3.86Å; F726-M728 HydrophobicContact CB-SD 4.48Å; M728-A730 PolarHBondContact O-N 3Å; M728-Y731 PolarHBondContact O-N 3.31Å; M728-Y731 HydrophobicContact SD-CD2 4.36Å |
| 729 | E | 69.6 | Low | 68.8 | Low | 202 Ų | 202 | 80 Ų | 80 | 94% | 0.944 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -56.1 | -28.2 | -177.5 | -62.7 | -177.4 | -178.3 | 0 | 0 | 112.9 | G727 | G727-E729 PolarHBondContact O-N 3.19Š|
| 730 | A | 63.9 | Low | 66.2 | Low | 82 Ų | 82 | 83.7 Ų | 83.7 | 68% | 0.678 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -83.1 | -13.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | M728 | M728-A730 PolarHBondContact O-N 3Š|
| 731 | Y | 63 | Low | 63.6 | Low | 43 Ų | 43 | 82.1 Ų | 82.1 | 17% | 0.169 | 47% | 0.469 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.8 | 4 | -163.7 | -56.5 | -70.7 | 0 | 0 | 0 | 115 | F372 E373 M728 D733 M734 | F372-Y731 HydrophobicContact CB-CD1 4.35Å; F372-Y731 HydrophobicContact CB-CE1 4.26Å; E373-Y731 WeakPolarHBondContact CG-OH 3.37Å; E373-Y731 PolarHBondContact OE1-OH 2.68Å; M728-Y731 PolarHBondContact O-N 3.31Å; M728-Y731 HydrophobicContact SD-CD2 4.36Å; Y731-D733 PolarHBondContact O-N 3.46Å; Y731-M734 HydrophobicContact CD1-SD 3.79Å; Y731-M734 PolarHBondContact O-N 2.86Å |
| 732 | G | 57.4 | Low | 61 | Low | 62 Ų | 62 | 89 Ų | 89 | 64% | 0.639 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -54.9 | -29.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 733 | D | 54.5 | Low | 58.1 | Low | 123 Ų | 123 | 94.7 Ų | 94.7 | 66% | 0.658 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -78.7 | -21.7 | 177.7 | -95.2 | -29.7 | 0 | 0 | 0 | 114 | Y731 M735 K736 | Y731-D733 PolarHBondContact O-N 3.46Å; D733-M735 PolarHBondContact O-N 3.38Å; D733-K736 IonicContact OD1-NZ 2.77Å; D733-K736 PolarHBondContact OD1-NZ 2.68Å |
| 734 | M | 52.1 | Low | 55.7 | Low | 79 Ų | 79 | 95.9 Ų | 95.9 | 39% | 0.389 | 53% | 0.527 | S | S | . | . | G | 310 helix | trans | -73.1 | -9.4 | -176.6 | -79.3 | 175.5 | 69.1 | 0 | 0 | 114.2 | Q15 F372 Y731 | Q15-M734 VanDerWaalsContact OE1-CE 3.31Å; F372-M734 HydrophobicContact CD1-CE 4.39Å; Y731-M734 HydrophobicContact CD1-SD 3.79Å; Y731-M734 PolarHBondContact O-N 2.86Å |
| 735 | M | 46.7 | Very low | 53.5 | Low | 65 Ų | 65 | 100.4 Ų | 100.4 | 32% | 0.32 | 53% | 0.529 | S | S | . | . | G | 310 helix | trans | -96.6 | 6.6 | 179.7 | -73.4 | -154.3 | 162.5 | 0 | 0 | 114.8 | P223 F372 D733 P737 | P223-M735 HydrophobicContact CB-CE 3.43Å; P223-M735 VanDerWaalsContact CB-CE 3.43Å; P223-M735 HydrophobicContact CB-SD 4.34Å; P223-M735 HydrophobicContact CG-CE 3.9Å; F372-M735 HydrophobicContact CE1-CE 4.44Å; F372-M735 HydrophobicContact CZ-CE 3.87Å; D733-M735 PolarHBondContact O-N 3.38Å; M735-P737 VanDerWaalsContact O-CD 3.3Å; M735-P737 WeakPolarHBondContact O-CD 3.43Å |
| 736 | K | 45.2 | Very low | 51.4 | Low | 150 Ų | 150 | 101.7 Ų | 101.7 | 65% | 0.652 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 120.4 | 176.2 | -80.4 | 172.9 | 178.7 | 151 | 0 | 110.1 | D733 L738 | D733-K736 IonicContact OD1-NZ 2.77Å; D733-K736 PolarHBondContact OD1-NZ 2.68Å; K736-L738 PolarHBondContact O-N 3.29Å |
| 737 | P | 38.2 | Very low | 49.4 | Very low | 97 Ų | 97 | 103 Ų | 103 | 63% | 0.63 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 135.6 | 177.9 | 24.1 | -31.5 | 0 | 0 | 0 | 110.6 | A228 M735 | A228-P737 HydrophobicContact CB-CB 3.82Å; M735-P737 VanDerWaalsContact O-CD 3.3Å; M735-P737 WeakPolarHBondContact O-CD 3.43Å |
| 738 | L | 38.4 | Very low | 47.8 | Very low | 88 Ų | 88 | 106.7 Ų | 106.7 | 46% | 0.461 | 55% | 0.55 | S | S | . | * | P | Polyproline II helix | trans | -62.4 | 138.2 | 171.2 | -84.8 | 131.8 | 0 | 0 | 0 | 110.2 | K736 P740 | K736-L738 PolarHBondContact O-N 3.29Å; L738-P740 VanDerWaalsContact O-CD 3.24Å; L738-P740 WeakPolarHBondContact O-CD 3.35Å |
| 739 | D | 37.8 | Very low | 46.3 | Very low | 95 Ų | 95 | 107 Ų | 107 | 51% | 0.508 | 56% | 0.555 | S | S | . | * | trans | -61 | 113.2 | -176.1 | -171.5 | -11.9 | 0 | 0 | 0 | 111.7 | S741 K742 | D739-S741 PolarHBondContact O-N 3.12Å; D739-S741 VanDerWaalsContact O-N 3.1Å; D739-S741 WeakPolarHBondContact OD1-CB 3.25Å; D739-S741 PolarHBondContact OD1-N 3.19Å; D739-S741 PolarHBondContact OD1-OG 2.83Å; D739-S741 PolarHBondContact OD2-OG 2.71Å; D739-S741 VanDerWaalsContact OD2-OG 3.06Å; D739-K742 PolarHBondContact O-N 3.08Å | ||
| 740 | P | 35.8 | Very low | 45.6 | Very low | 108 Ų | 108 | 99 Ų | 99 | 70% | 0.701 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -62.6 | -19.3 | -178.6 | -19.9 | 31 | 0 | 0 | 0 | 113.6 | L738 K742 R743 | L738-P740 VanDerWaalsContact O-CD 3.24Å; L738-P740 WeakPolarHBondContact O-CD 3.35Å; P740-K742 PolarHBondContact O-N 2.88Å; P740-K742 VanDerWaalsContact O-N 3.15Å; P740-R743 PolarHBondContact O-N 3.41Å |
| 741 | S | 37.4 | Very low | 45.5 | Very low | 96 Ų | 96 | 97.1 Ų | 97.1 | 67% | 0.671 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -70.2 | -5.8 | -176.5 | 65.9 | 0 | 0 | 0 | 0 | 113.9 | D739 R743 | D739-S741 PolarHBondContact O-N 3.12Å; D739-S741 VanDerWaalsContact O-N 3.1Å; D739-S741 WeakPolarHBondContact OD1-CB 3.25Å; D739-S741 PolarHBondContact OD1-N 3.19Å; D739-S741 PolarHBondContact OD1-OG 2.83Å; D739-S741 PolarHBondContact OD2-OG 2.71Å; D739-S741 VanDerWaalsContact OD2-OG 3.06Å; S741-R743 PolarHBondContact O-N 3.23Å |
| 742 | K | 38.1 | Very low | 45.9 | Very low | 159 Ų | 159 | 95.1 Ų | 95.1 | 69% | 0.691 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -88.8 | 21.2 | 174.8 | -64.5 | -175.3 | -177.8 | 175.9 | 0 | 115.1 | D739 P740 L744 | D739-K742 PolarHBondContact O-N 3.08Å; P740-K742 PolarHBondContact O-N 2.88Å; P740-K742 VanDerWaalsContact O-N 3.15Å; K742-L744 VanDerWaalsContact C-N 3.28Å; K742-L744 PolarHBondContact O-N 3.41Å |
| 743 | R | 30.8 | Very low | 46.8 | Very low | 231 Ų | 231 | 92.5 Ų | 92.5 | 87% | 0.872 | 47% | 0.466 | S | S | * | . | trans | -67.5 | 85.1 | 169.1 | -81.5 | -173.6 | 178.3 | -171.2 | -2.3 | 110.6 | P740 S741 | P740-R743 PolarHBondContact O-N 3.41Å; S741-R743 PolarHBondContact O-N 3.23Å | ||
| 744 | L | 36.7 | Very low | 47.8 | Very low | 119 Ų | 119 | 91.4 Ų | 91.4 | 62% | 0.623 | 46% | 0.455 | S | S | * | . | trans | -62.5 | 155.8 | 172.1 | -75.8 | 159.4 | 0 | 0 | 0 | 111.3 | K742 | K742-L744 VanDerWaalsContact C-N 3.28Å; K742-L744 PolarHBondContact O-N 3.41Å | ||
| 745 | R | 41.5 | Very low | 49.2 | Very low | 198 Ų | 198 | 88.4 Ų | 88.4 | 75% | 0.747 | 44% | 0.44 | S | S | * | . | trans | -62.3 | 140.8 | 176.6 | -66.7 | -173.5 | 177.2 | -170.4 | 3.3 | 109.8 | I747 E748 S749 | R745-I747 PolarHBondContact O-N 3.39Å; R745-I747 VanDerWaalsContact O-N 3.08Å; R745-E748 HydrophobicContact CB-CG 4.3Å; R745-E748 WeakPolarHBondContact O-CA 3.09Å; R745-E748 WeakPolarHBondContact O-CB 3.4Å; R745-E748 PolarHBondContact O-N 2.64Å; R745-S749 PolarHBondContact O-N 3.27Å | ||
| 746 | L | 44.5 | Very low | 50.7 | Low | 74 Ų | 74 | 86.2 Ų | 86.2 | 39% | 0.387 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -55 | -33.3 | -175.2 | -166.3 | 71.8 | 0 | 0 | 0 | 113.9 | L654 S749 T750 | L654-L746 HydrophobicContact CB-CD2 4.09Å; L746-S749 VanDerWaalsContact CA-OG 3.31Å; L746-S749 WeakPolarHBondContact CA-OG 3.31Å; L746-S749 PolarHBondContact O-N 3.14Å; L746-S749 PolarHBondContact O-OG 2.78Å; L746-T750 PolarHBondContact O-N 3.45Å; L746-T750 PolarHBondContact O-OG1 3.23Å |
| 747 | I | 46.6 | Very low | 51.9 | Low | 31 Ų | 31 | 84 Ų | 84 | 16% | 0.159 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -68 | -38.5 | 175 | -66.1 | 163.3 | 0 | 0 | 0 | 111.4 | R745 S749 Q835 L839 R870 | R745-I747 PolarHBondContact O-N 3.39Å; R745-I747 VanDerWaalsContact O-N 3.08Å; I747-S749 VanDerWaalsContact C-N 3.29Å; I747-Q835 HydrophobicContact CG2-CG 4.04Å; I747-Q835 PolarHBondContact O-NE2 3.17Å; I747-L839 HydrophobicContact CG2-CD2 3.64Å; I747-L839 HydrophobicContact CG2-CG 4.04Å; I747-R870 HydrophobicContact CD1-CG 3.75Å; I747-R870 HydrophobicContact CG1-CG 3.95Å |
| 748 | E | 49.2 | Very low | 53.5 | Low | 110 Ų | 110 | 80.8 Ų | 80.8 | 51% | 0.514 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -71 | -28.7 | 175.7 | -65.1 | 172.6 | 165.5 | 0 | 0 | 111.1 | R745 | R745-E748 HydrophobicContact CB-CG 4.3Å; R745-E748 WeakPolarHBondContact O-CA 3.09Å; R745-E748 WeakPolarHBondContact O-CB 3.4Å; R745-E748 PolarHBondContact O-N 2.64Å |
| 749 | S | 45.8 | Very low | 55.7 | Low | 34 Ų | 34 | 77.7 Ų | 77.7 | 24% | 0.238 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -84.5 | -13.8 | 178.5 | 72.6 | 0 | 0 | 0 | 0 | 114.7 | R745 L746 I747 P751 | R745-S749 PolarHBondContact O-N 3.27Å; L746-S749 VanDerWaalsContact CA-OG 3.31Å; L746-S749 WeakPolarHBondContact CA-OG 3.31Å; L746-S749 PolarHBondContact O-N 3.14Å; L746-S749 PolarHBondContact O-OG 2.78Å; I747-S749 VanDerWaalsContact C-N 3.29Å; S749-P751 WeakPolarHBondContact O-CD 3.41Å |
| 750 | T | 53 | Low | 57.7 | Low | 35 Ų | 35 | 75.2 Ų | 75.2 | 22% | 0.215 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -100.2 | 89.8 | 178.6 | -43.8 | 0 | 0 | 0 | 0 | 108.5 | L746 A752 Q835 | L746-T750 PolarHBondContact O-N 3.45Å; L746-T750 PolarHBondContact O-OG1 3.23Å; T750-A752 PolarHBondContact O-N 3.33Å; T750-Q835 PolarHBondContact O-NE2 3.07Å; T750-Q835 VanDerWaalsContact O-NE2 3.09Å |
| 751 | P | 61.9 | Low | 59.7 | Low | 42 Ų | 42 | 73.8 Ų | 73.8 | 27% | 0.273 | 35% | 0.351 | S | S | . | . | trans | -61.1 | 106.1 | 178 | 21.7 | -31.1 | 0 | 0 | 0 | 108.8 | S749 A753 K754 | S749-P751 WeakPolarHBondContact O-CD 3.41Å; P751-A753 PolarHBondContact O-N 3.15Å; P751-K754 HydrophobicContact CB-CB 4.31Å; P751-K754 HydrophobicContact CG-CB 3.85Å; P751-K754 HydrophobicContact CG-CD 4.44Å; P751-K754 WeakPolarHBondContact O-CB 3.37Å; P751-K754 PolarHBondContact O-N 3.34Å | ||
| 752 | A | 72.7 | Confident | 61.7 | Low | 2 Ų | 2 | 73 Ų | 73 | 2% | 0.017 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -21.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T750 R831 I832 Q835 I867 | T750-A752 PolarHBondContact O-N 3.33Å; A752-R831 HydrophobicContact CB-CG 4.05Å; A752-R831 PolarHBondContact O-NE 3.19Å; A752-I832 HydrophobicContact CB-CB 4.46Å; A752-I832 HydrophobicContact CB-CG1 3.73Å; A752-Q835 HydrophobicContact CB-CB 4.26Å; A752-I867 HydrophobicContact CB-CD1 4.24Å |
| 753 | A | 75.3 | Confident | 64 | Low | 7 Ų | 7 | 66.2 Ų | 66.2 | 6% | 0.058 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -23.7 | 173 | 0 | 0 | 0 | 0 | 0 | 114.3 | P751 R755 I791 I832 V1557 | P751-A753 PolarHBondContact O-N 3.15Å; A753-R755 PolarHBondContact O-N 2.98Å; A753-I791 HydrophobicContact CB-CB 4.33Å; A753-I791 HydrophobicContact CB-CG1 3.96Å; A753-I791 HydrophobicContact CB-CG2 3.88Å; A753-I832 HydrophobicContact CB-CD1 4.15Å; A753-V1557 HydrophobicContact CB-CG1 4.48Å |
| 754 | K | 75.4 | Confident | 66.7 | Low | 99 Ų | 99 | 56.2 Ų | 56.2 | 43% | 0.43 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 118.7 | 179.6 | -179.1 | 174.1 | -177.9 | -170.8 | 0 | 108.9 | P751 R831 I1558 | P751-K754 HydrophobicContact CB-CB 4.31Å; P751-K754 HydrophobicContact CG-CB 3.85Å; P751-K754 HydrophobicContact CG-CD 4.44Å; P751-K754 WeakPolarHBondContact O-CB 3.37Å; P751-K754 PolarHBondContact O-N 3.34Å; K754-R831 PolarHBondContact O-NH2 3.37Å; K754-I1558 HydrophobicContact CB-CD1 3.93Å; K754-I1558 HydrophobicContact CB-CG1 3.96Å; K754-I1558 HydrophobicContact CD-CD1 4.16Å; K754-I1558 HydrophobicContact CD-CG1 4.24Å; K754-I1558 HydrophobicContact CG-CD1 3.66Å; K754-I1558 HydrophobicContact CG-CG1 4.05Å |
| 755 | R | 82.7 | Confident | 68.9 | Low | 17 Ų | 17 | 53 Ų | 53 | 6% | 0.064 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -78.2 | 148.8 | 169.5 | -78.1 | -162.7 | -178.4 | 87.5 | 9.2 | 111.2 | A753 E759 T760 D826 V828 R1550 E1554 | A753-R755 PolarHBondContact O-N 2.98Å; R755-E759 WeakPolarHBondContact CA-OE2 3.48Å; R755-E759 HydrophobicContact CB-CB 3.98Å; R755-E759 HydrophobicContact CG-CB 4.04Å; R755-T760 WeakPolarHBondContact CB-OG1 3.47Å; R755-D826 IonicContact CZ-OD2 3.27Å; R755-D826 IonicContact NH2-OD1 3.02Å; R755-D826 IonicContact NH2-OD2 3.14Å; R755-D826 PolarHBondContact NH2-OD2 2.82Å; R755-V828 HydrophobicContact CG-CG2 3.96Å; R755-R1550 VanDerWaalsContact NH1-CZ 3.31Å; R755-R1550 VanDerWaalsContact NH1-NE 3.1Å; R755-E1554 IonicContact CZ-OE1 3.54Å; R755-E1554 VanDerWaalsContact NH1-CD 3.3Å; R755-E1554 IonicContact NH1-OE1 3.44Å; R755-E1554 PolarHBondContact NH1-OE1 3.09Å; R755-E1554 IonicContact NH1-OE2 3.88Å; R755-E1554 PolarHBondContact NH1-OE2 2.8Å; R755-E1554 IonicContact NH2-OE1 3.21Å |
| 756 | T | 78.5 | Confident | 71.1 | Confident | 18 Ų | 18 | 45.3 Ų | 45.3 | 11% | 0.11 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -69 | 156.7 | 162.3 | 70 | 0 | 0 | 0 | 0 | 109.8 | A661 A664 Q758 E759 T760 V863 | A661-T756 HydrophobicContact CB-CG2 4.09Å; A664-T756 HydrophobicContact CB-CG2 4.22Å; T756-Q758 PolarHBondContact O-N 2.87Å; T756-Q758 VanDerWaalsContact O-N 3.12Å; T756-E759 PolarHBondContact N-OE2 3.38Å; T756-E759 PolarHBondContact O-N 2.65Å; T756-E759 VanDerWaalsContact O-N 3.12Å; T756-E759 WeakPolarHBondContact OG1-CG 3.37Å; T756-E759 PolarHBondContact OG1-N 3.5Å; T756-E759 VanDerWaalsContact OG1-N 3.13Å; T756-T760 PolarHBondContact O-N 2.92Å; T756-T760 VanDerWaalsContact O-N 3.12Å; T756-T760 PolarHBondContact O-OG1 3.4Å; T756-V863 HydrophobicContact CG2-CG2 4.26Å |
| 757 | K | 70.6 | Confident | 73.3 | Confident | 104 Ų | 104 | 41.8 Ų | 41.8 | 45% | 0.452 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -52.5 | -36.5 | 175.6 | -171.6 | 175 | -180 | 176.4 | 0 | 111.5 | D690 K761 | D690-K757 WeakPolarHBondContact OD2-CE 3.45Å; D690-K757 IonicContact OD2-NZ 3.27Å; D690-K757 PolarHBondContact OD2-NZ 3.37Å; K757-K761 PolarHBondContact O-N 3.18Å; K757-K761 VanDerWaalsContact O-N 3.16Å |
| 758 | Q | 71.6 | Confident | 75.4 | Confident | 30 Ų | 30 | 46 Ų | 46 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.9 | -45.2 | 178.5 | -171.3 | 64 | 5.3 | 0 | 0 | 113 | D668 T756 T760 K761 L762 | D668-Q758 HydrophobicContact CB-CG 4.17Å; D668-Q758 PolarHBondContact OD1-NE2 3.32Å; D668-Q758 PolarHBondContact OD2-NE2 3.47Å; T756-Q758 PolarHBondContact O-N 2.87Å; T756-Q758 VanDerWaalsContact O-N 3.12Å; Q758-T760 PolarHBondContact O-N 3.38Å; Q758-K761 PolarHBondContact O-N 2.78Å; Q758-L762 HydrophobicContact CG-CD1 4.17Å; Q758-L762 HydrophobicContact CG-CG 4.45Å; Q758-L762 WeakPolarHBondContact O-CG 3.42Å; Q758-L762 PolarHBondContact O-N 2.94Å |
| 759 | E | 83.2 | Confident | 77.3 | Confident | 22 Ų | 22 | 48.2 Ų | 48.2 | 10% | 0.103 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58 | -38.5 | 175.2 | -73.4 | 173.4 | 151.7 | 0 | 0 | 111.3 | R755 T756 A763 R831 N861 | R755-E759 WeakPolarHBondContact CA-OE2 3.48Å; R755-E759 HydrophobicContact CB-CB 3.98Å; R755-E759 HydrophobicContact CG-CB 4.04Å; T756-E759 PolarHBondContact N-OE2 3.38Å; T756-E759 PolarHBondContact O-N 2.65Å; T756-E759 VanDerWaalsContact O-N 3.12Å; T756-E759 WeakPolarHBondContact OG1-CG 3.37Å; T756-E759 PolarHBondContact OG1-N 3.5Å; T756-E759 VanDerWaalsContact OG1-N 3.13Å; E759-A763 VanDerWaalsContact O-CB 3.27Å; E759-A763 WeakPolarHBondContact O-CB 3.3Å; E759-A763 PolarHBondContact O-N 3.41Å; E759-R831 IonicContact OE1-CZ 3.34Å; E759-R831 IonicContact OE1-NH1 2.8Å; E759-R831 PolarHBondContact OE1-NH1 3.23Å; E759-R831 IonicContact OE1-NH2 2.68Å; E759-R831 PolarHBondContact OE1-NH2 3.25Å; E759-R831 IonicContact OE2-CZ 3.85Å; E759-R831 IonicContact OE2-NH1 3.69Å; E759-R831 IonicContact OE2-NH2 3.04Å; E759-R831 PolarHBondContact OE2-NH2 2.84Å; E759-N861 PolarHBondContact OE1-ND2 3.32Å |
| 760 | T | 81.1 | Confident | 79.4 | Confident | 43 Ų | 43 | 47.8 Ų | 47.8 | 26% | 0.264 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.6 | -45.8 | 176.2 | -58.7 | 0 | 0 | 0 | 0 | 112 | R755 T756 Q758 A763 L764 | R755-T760 WeakPolarHBondContact CB-OG1 3.47Å; T756-T760 PolarHBondContact O-N 2.92Å; T756-T760 VanDerWaalsContact O-N 3.12Å; T756-T760 PolarHBondContact O-OG1 3.4Å; Q758-T760 PolarHBondContact O-N 3.38Å; T760-A763 PolarHBondContact O-N 3.5Å; T760-L764 PolarHBondContact O-N 3.12Å; T760-L764 VanDerWaalsContact O-N 3.11Å |
| 761 | K | 77.2 | Confident | 81.1 | Confident | 78 Ų | 78 | 48.6 Ų | 48.6 | 34% | 0.339 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.9 | -49.6 | 176.4 | -176.1 | 179.9 | 175.7 | -176.8 | 0 | 111.2 | D688 K757 Q758 A763 L764 D765 | D688-K761 IonicContact OD2-NZ 3.24Å; D688-K761 PolarHBondContact OD2-NZ 3.02Å; K757-K761 PolarHBondContact O-N 3.18Å; K757-K761 VanDerWaalsContact O-N 3.16Å; Q758-K761 PolarHBondContact O-N 2.78Å; K761-A763 VanDerWaalsContact C-N 3.35Å; K761-A763 PolarHBondContact O-N 2.87Å; K761-L764 PolarHBondContact O-N 3.41Å; K761-D765 PolarHBondContact O-N 3.42Å |
| 762 | L | 80.4 | Confident | 82.4 | Confident | 79 Ų | 79 | 55.4 Ų | 55.4 | 41% | 0.414 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 179.5 | -70.4 | 175.2 | 0 | 0 | 0 | 112.6 | Q758 L764 D765 L766 | Q758-L762 HydrophobicContact CG-CD1 4.17Å; Q758-L762 HydrophobicContact CG-CG 4.45Å; Q758-L762 WeakPolarHBondContact O-CG 3.42Å; Q758-L762 PolarHBondContact O-N 2.94Å; L762-L764 VanDerWaalsContact C-N 3.34Å; L762-D765 PolarHBondContact O-N 3.36Å; L762-L766 VanDerWaalsContact O-CB 3.3Å; L762-L766 WeakPolarHBondContact O-CB 3.43Å; L762-L766 PolarHBondContact O-N 2.65Å |
| 763 | A | 85.4 | Confident | 83.3 | Confident | 18 Ų | 18 | 57.4 Ų | 57.4 | 15% | 0.149 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E759 T760 K761 A767 Y784 | E759-A763 VanDerWaalsContact O-CB 3.27Å; E759-A763 WeakPolarHBondContact O-CB 3.3Å; E759-A763 PolarHBondContact O-N 3.41Å; T760-A763 PolarHBondContact O-N 3.5Å; K761-A763 VanDerWaalsContact C-N 3.35Å; K761-A763 PolarHBondContact O-N 2.87Å; A763-A767 WeakPolarHBondContact O-CB 3.47Å; A763-A767 PolarHBondContact O-N 3.39Å; A763-Y784 PolarHBondContact O-OH 3.19Å |
| 764 | L | 86.7 | Confident | 83.8 | Confident | 20 Ų | 20 | 58.4 Ų | 58.4 | 11% | 0.105 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69.4 | -41.8 | 177.7 | -168.6 | 63.1 | 0 | 0 | 0 | 112 | T760 K761 L762 L766 A767 R768 D1393 I1547 | T760-L764 PolarHBondContact O-N 3.12Å; T760-L764 VanDerWaalsContact O-N 3.11Å; K761-L764 PolarHBondContact O-N 3.41Å; L762-L764 VanDerWaalsContact C-N 3.34Å; L764-L766 VanDerWaalsContact C-N 3.34Å; L764-L766 PolarHBondContact O-N 3.42Å; L764-A767 WeakPolarHBondContact O-CB 3.34Å; L764-A767 PolarHBondContact O-N 2.83Å; L764-R768 WeakPolarHBondContact O-CG 3.39Å; L764-R768 PolarHBondContact O-N 2.84Å; L764-D1393 HydrophobicContact CD1-CB 4.26Å; L764-I1547 HydrophobicContact CD1-CG2 4.23Å |
| 765 | D | 84.8 | Confident | 84.4 | Confident | 53 Ų | 53 | 55 Ų | 55 | 28% | 0.283 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68.1 | -33.6 | 176.8 | -71.6 | -22.2 | 0 | 0 | 0 | 112.3 | K761 L762 R768 R769 | K761-D765 PolarHBondContact O-N 3.42Å; L762-D765 PolarHBondContact O-N 3.36Å; D765-R768 IonicContact OD1-CZ 2.7Å; D765-R768 IonicContact OD1-NH1 3.68Å; D765-R768 PolarHBondContact OD1-NH1 3.07Å; D765-R769 WeakPolarHBondContact O-CG 3.42Å; D765-R769 PolarHBondContact O-N 2.79Å; D765-R769 VanDerWaalsContact O-N 3.15Å; D765-R769 PolarHBondContact O-NE 3.26Å |
| 766 | L | 86.3 | Confident | 84.7 | Confident | 35 Ų | 35 | 56 Ų | 56 | 18% | 0.183 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.4 | -48.7 | 168.1 | 179.7 | 65.1 | 0 | 0 | 0 | 110.6 | L762 L764 R768 R769 Q770 V824 | L762-L766 VanDerWaalsContact O-CB 3.3Å; L762-L766 WeakPolarHBondContact O-CB 3.43Å; L762-L766 PolarHBondContact O-N 2.65Å; L764-L766 VanDerWaalsContact C-N 3.34Å; L764-L766 PolarHBondContact O-N 3.42Å; L766-R768 VanDerWaalsContact C-N 3.3Å; L766-R768 PolarHBondContact O-N 3.32Å; L766-R769 PolarHBondContact O-N 2.98Å; L766-R769 VanDerWaalsContact O-N 3.09Å; L766-Q770 HydrophobicContact CD1-CG 3.91Å; L766-Q770 HydrophobicContact CG-CG 4.14Å; L766-Q770 VanDerWaalsContact O-CG 3.3Å; L766-Q770 WeakPolarHBondContact O-CG 3.28Å; L766-Q770 PolarHBondContact O-N 3.03Å; L766-V824 HydrophobicContact CD1-CB 4.47Å; L766-V824 HydrophobicContact CD1-CG2 4.06Å; L766-V824 HydrophobicContact CD2-CB 3.83Å; L766-V824 HydrophobicContact CD2-CG1 4.1Å; L766-V824 HydrophobicContact CD2-CG2 4.3Å |
| 767 | A | 90 | Very high | 85.4 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.8 | -41.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A763 L764 R769 Q770 S771 W777 A1391 I1547 | A763-A767 WeakPolarHBondContact O-CB 3.47Å; A763-A767 PolarHBondContact O-N 3.39Å; L764-A767 WeakPolarHBondContact O-CB 3.34Å; L764-A767 PolarHBondContact O-N 2.83Å; A767-R769 PolarHBondContact O-N 3.41Å; A767-Q770 PolarHBondContact O-N 3.34Å; A767-S771 WeakPolarHBondContact O-CB 3.38Å; A767-S771 PolarHBondContact O-N 3.22Å; A767-W777 HydrophobicContact CB-CZ3 4.44Å; A767-A1391 HydrophobicContact CB-CB 4.17Å; A767-I1547 HydrophobicContact CB-CD1 3.94Å |
| 768 | R | 91 | Very high | 86.4 | Confident | 120 Ų | 120 | 50.6 Ų | 50.6 | 45% | 0.453 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.9 | -32.5 | 176 | -70.5 | 169.7 | -178.8 | 163.8 | -7.6 | 113.8 | L764 D765 L766 S771 A1391 | L764-R768 WeakPolarHBondContact O-CG 3.39Å; L764-R768 PolarHBondContact O-N 2.84Å; D765-R768 IonicContact OD1-CZ 2.7Å; D765-R768 IonicContact OD1-NH1 3.68Å; D765-R768 PolarHBondContact OD1-NH1 3.07Å; L766-R768 VanDerWaalsContact C-N 3.3Å; L766-R768 PolarHBondContact O-N 3.32Å; R768-S771 PolarHBondContact O-OG 3Å; R768-A1391 HydrophobicContact CB-CB 4.34Å; R768-A1391 HydrophobicContact CG-CB 3.82Å |
| 769 | R | 89 | Confident | 87.3 | Confident | 156 Ų | 156 | 50 Ų | 50 | 59% | 0.589 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -73.9 | -44.2 | 174 | -74.3 | -178.3 | -71 | 161.1 | -3.3 | 110.9 | D765 L766 A767 S771 K772 | D765-R769 WeakPolarHBondContact O-CG 3.42Å; D765-R769 PolarHBondContact O-N 2.79Å; D765-R769 VanDerWaalsContact O-N 3.15Å; D765-R769 PolarHBondContact O-NE 3.26Å; L766-R769 PolarHBondContact O-N 2.98Å; L766-R769 VanDerWaalsContact O-N 3.09Å; A767-R769 PolarHBondContact O-N 3.41Å; R769-S771 VanDerWaalsContact C-N 3.34Å; R769-S771 PolarHBondContact O-N 3.14Å; R769-K772 WeakPolarHBondContact O-CB 3.39Å; R769-K772 PolarHBondContact O-N 2.81Å |
| 770 | Q | 89.8 | Confident | 87.7 | Confident | 25 Ų | 25 | 49.4 Ų | 49.4 | 12% | 0.117 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70.5 | -28 | -178.1 | -61.3 | -61.3 | 22.4 | 0 | 0 | 113.1 | L766 A767 K772 S773 N776 W777 C780 D823 | L766-Q770 HydrophobicContact CD1-CG 3.91Å; L766-Q770 HydrophobicContact CG-CG 4.14Å; L766-Q770 VanDerWaalsContact O-CG 3.3Å; L766-Q770 WeakPolarHBondContact O-CG 3.28Å; L766-Q770 PolarHBondContact O-N 3.03Å; A767-Q770 PolarHBondContact O-N 3.34Å; Q770-K772 PolarHBondContact O-N 3.45Å; Q770-K772 VanDerWaalsContact O-N 3.11Å; Q770-S773 PolarHBondContact O-N 3.38Å; Q770-S773 VanDerWaalsContact O-O 3.05Å; Q770-N776 HydrophobicContact CB-CB 4.07Å; Q770-N776 HydrophobicContact CG-CB 4.43Å; Q770-N776 PolarHBondContact OE1-ND2 3.27Å; Q770-W777 PolarHBondContact O-N 3.07Å; Q770-C780 HydrophobicContact CB-CB 4Å; Q770-C780 HydrophobicContact CG-CB 4.44Å; Q770-D823 PolarHBondContact NE2-OD2 2.8Å |
| 771 | S | 89.7 | Confident | 88.3 | Confident | 52 Ų | 52 | 47.4 Ų | 47.4 | 36% | 0.364 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -14.9 | 176.2 | 67.6 | 0 | 0 | 0 | 0 | 114.4 | A767 R768 R769 S773 | A767-S771 WeakPolarHBondContact O-CB 3.38Å; A767-S771 PolarHBondContact O-N 3.22Å; R768-S771 PolarHBondContact O-OG 3Å; R769-S771 VanDerWaalsContact C-N 3.34Å; R769-S771 PolarHBondContact O-N 3.14Å; S771-S773 VanDerWaalsContact C-N 3.31Å |
| 772 | K | 89.6 | Confident | 89 | Confident | 185 Ų | 185 | 43.9 Ų | 43.9 | 80% | 0.804 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -20.5 | 176.1 | -61.7 | -177.3 | -179.9 | -177.1 | 0 | 113.5 | R769 Q770 | R769-K772 WeakPolarHBondContact O-CB 3.39Å; R769-K772 PolarHBondContact O-N 2.81Å; Q770-K772 PolarHBondContact O-N 3.45Å; Q770-K772 VanDerWaalsContact O-N 3.11Å |
| 773 | S | 90.2 | Very high | 89.6 | Confident | 44 Ų | 44 | 40.8 Ų | 40.8 | 31% | 0.308 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -117.7 | 130.3 | 178.6 | 165.5 | 0 | 0 | 0 | 0 | 110 | Q770 S771 L775 N776 W777 | Q770-S773 PolarHBondContact O-N 3.38Å; Q770-S773 VanDerWaalsContact O-O 3.05Å; S771-S773 VanDerWaalsContact C-N 3.31Å; S773-L775 VanDerWaalsContact C-N 3.32Å; S773-L775 PolarHBondContact O-N 3.41Å; S773-N776 PolarHBondContact O-N 3.27Å; S773-N776 PolarHBondContact OG-N 3.01Å; S773-W777 VanDerWaalsContact O-CB 3.25Å; S773-W777 WeakPolarHBondContact O-CB 3.06Å; S773-W777 PolarHBondContact O-N 3.47Å |
| 774 | A | 86.8 | Confident | 90 | Very high | 29 Ų | 29 | 40.5 Ų | 40.5 | 24% | 0.24 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -53.8 | -47.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A778 K1737 A1738 | A774-A778 PolarHBondContact O-N 3.39Å; A774-K1737 HydrophobicContact CB-CB 4.18Å; A774-A1738 HydrophobicContact CB-CB 3.81Å |
| 775 | L | 87.1 | Confident | 90.3 | Very high | 26 Ų | 26 | 39.6 Ų | 39.6 | 14% | 0.136 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.6 | -50.1 | 179.5 | 174.7 | 59.4 | 0 | 0 | 0 | 111.2 | S773 W777 A778 K779 L1325 P1326 F1332 | S773-L775 VanDerWaalsContact C-N 3.32Å; S773-L775 PolarHBondContact O-N 3.41Å; L775-W777 VanDerWaalsContact C-N 3.32Å; L775-W777 PolarHBondContact O-N 3.24Å; L775-A778 PolarHBondContact O-N 3.19Å; L775-K779 PolarHBondContact O-N 2.64Å; L775-L1325 HydrophobicContact CB-CD2 4Å; L775-L1325 HydrophobicContact CD1-CD2 4.31Å; L775-P1326 HydrophobicContact CD2-CG 4.05Å; L775-F1332 HydrophobicContact CD1-CE1 4.32Å; L775-F1332 HydrophobicContact CD1-CE2 3.28Å; L775-F1332 HydrophobicContact CD1-CZ 3.12Å |
| 776 | N | 90.1 | Very high | 90.8 | Very high | 39 Ų | 39 | 37.7 Ų | 37.7 | 21% | 0.209 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.9 | -32 | -174 | -63.2 | 3.3 | 0 | 0 | 0 | 111.9 | Q770 S773 K779 C780 | Q770-N776 HydrophobicContact CB-CB 4.07Å; Q770-N776 HydrophobicContact CG-CB 4.43Å; Q770-N776 PolarHBondContact OE1-ND2 3.27Å; S773-N776 PolarHBondContact O-N 3.27Å; S773-N776 PolarHBondContact OG-N 3.01Å; N776-K779 PolarHBondContact O-N 2.97Å; N776-C780 VanDerWaalsContact O-CB 3.26Å; N776-C780 WeakPolarHBondContact O-CB 3.3Å; N776-C780 PolarHBondContact O-N 3.1Å |
| 777 | W | 92.3 | Very high | 91.1 | Very high | 8 Ų | 8 | 36 Ų | 36 | 3% | 0.03 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.2 | -47.6 | 172.4 | -178.7 | -122.1 | 0 | 0 | 0 | 111.5 | A767 Q770 S773 L775 K779 C780 L781 M1386 W1389 A1391 I1547 | A767-W777 HydrophobicContact CB-CZ3 4.44Å; Q770-W777 PolarHBondContact O-N 3.07Å; S773-W777 VanDerWaalsContact O-CB 3.25Å; S773-W777 WeakPolarHBondContact O-CB 3.06Å; S773-W777 PolarHBondContact O-N 3.47Å; L775-W777 VanDerWaalsContact C-N 3.32Å; L775-W777 PolarHBondContact O-N 3.24Å; W777-K779 VanDerWaalsContact C-N 3.35Å; W777-K779 PolarHBondContact O-N 3.13Å; W777-C780 HydrophobicContact CE3-CB 4.32Å; W777-C780 WeakPolarHBondContact O-CB 3.44Å; W777-C780 PolarHBondContact O-N 3.3Å; W777-C780 VanDerWaalsContact O-N 3.13Å; W777-L781 HydrophobicContact CD2-CG 4.32Å; W777-L781 HydrophobicContact CH2-CD2 3.95Å; W777-L781 HydrophobicContact CZ2-CD1 4.2Å; W777-L781 HydrophobicContact CZ2-CD2 3.69Å; W777-L781 HydrophobicContact CZ2-CG 4.07Å; W777-L781 WeakPolarHBondContact O-CG 3.4Å; W777-L781 PolarHBondContact O-N 2.96Å; W777-M1386 PolarHBondContact NE1-O 3.27Å; W777-W1389 HydrophobicContact CZ2-CB 3.98Å; W777-A1391 HydrophobicContact CH2-CB 4.41Å; W777-A1391 HydrophobicContact CZ3-CB 4.21Å; W777-I1547 HydrophobicContact CH2-CD1 3.91Å; W777-I1547 HydrophobicContact CZ3-CD1 4.35Å |
| 778 | A | 91.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.6 | -43.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | A774 L775 C780 L781 L782 A1741 V1745 | A774-A778 PolarHBondContact O-N 3.39Å; L775-A778 PolarHBondContact O-N 3.19Å; A778-C780 VanDerWaalsContact C-N 3.33Å; A778-C780 PolarHBondContact O-N 3.03Å; A778-L781 PolarHBondContact O-N 2.98Å; A778-L782 PolarHBondContact O-N 3.22Å; A778-A1741 VanDerWaalsContact CB-C 3.46Å; A778-A1741 HydrophobicContact CB-CB 3.65Å; A778-V1745 HydrophobicContact CB-CG1 4.19Å; A778-V1745 HydrophobicContact CB-CG2 4.24Å |
| 779 | K | 91 | Very high | 91.6 | Very high | 17 Ų | 17 | 30.4 Ų | 30.4 | 7% | 0.074 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.4 | -40.7 | 173.1 | -74.5 | -172.9 | 177.9 | -172.6 | 0 | 112.1 | L775 N776 W777 L782 S783 F822 D1329 A1331 | L775-K779 PolarHBondContact O-N 2.64Å; N776-K779 PolarHBondContact O-N 2.97Å; W777-K779 VanDerWaalsContact C-N 3.35Å; W777-K779 PolarHBondContact O-N 3.13Å; K779-L782 PolarHBondContact O-N 3.12Å; K779-S783 PolarHBondContact O-N 3.35Å; K779-F822 HydrophobicContact CB-CD1 4.05Å; K779-F822 HydrophobicContact CB-CE1 4.2Å; K779-F822 WeakPolarHBondContact O-CE1 3.36Å; K779-D1329 WeakPolarHBondContact CE-OD1 3.41Å; K779-D1329 VanDerWaalsContact CE-OD2 3.31Å; K779-D1329 WeakPolarHBondContact CE-OD2 3.41Å; K779-D1329 VanDerWaalsContact NZ-CG 3.32Å; K779-D1329 IonicContact NZ-OD1 3.09Å; K779-D1329 PolarHBondContact NZ-OD1 2.95Å; K779-D1329 IonicContact NZ-OD2 2.65Å; K779-D1329 PolarHBondContact NZ-OD2 2.8Å; K779-A1331 HydrophobicContact CG-CB 4.32Å |
| 780 | C | 91.7 | Very high | 91.9 | Very high | 11 Ų | 11 | 23 Ų | 23 | 7% | 0.074 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.1 | -50.5 | 176.3 | -172.5 | 0 | 0 | 0 | 0 | 110.5 | Q770 N776 W777 A778 L782 S783 Y784 | Q770-C780 HydrophobicContact CB-CB 4Å; Q770-C780 HydrophobicContact CG-CB 4.44Å; N776-C780 VanDerWaalsContact O-CB 3.26Å; N776-C780 WeakPolarHBondContact O-CB 3.3Å; N776-C780 PolarHBondContact O-N 3.1Å; W777-C780 HydrophobicContact CE3-CB 4.32Å; W777-C780 WeakPolarHBondContact O-CB 3.44Å; W777-C780 PolarHBondContact O-N 3.3Å; W777-C780 VanDerWaalsContact O-N 3.13Å; A778-C780 VanDerWaalsContact C-N 3.33Å; A778-C780 PolarHBondContact O-N 3.03Å; C780-L782 VanDerWaalsContact C-N 3.32Å; C780-L782 PolarHBondContact O-N 3.4Å; C780-S783 WeakPolarHBondContact O-CB 3.25Å; C780-S783 PolarHBondContact O-N 3.46Å; C780-S783 VanDerWaalsContact O-N 3.09Å; C780-Y784 VanDerWaalsContact O-CD2 3.24Å; C780-Y784 WeakPolarHBondContact O-CD2 3.47Å; C780-Y784 PolarHBondContact O-N 2.69Å |
| 781 | L | 93.1 | Very high | 92 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.7 | -41.7 | 176.2 | -67.7 | -178.5 | 0 | 0 | 0 | 112.6 | W777 A778 S783 Y784 A785 M1386 W1389 L1546 | W777-L781 HydrophobicContact CD2-CG 4.32Å; W777-L781 HydrophobicContact CH2-CD2 3.95Å; W777-L781 HydrophobicContact CZ2-CD1 4.2Å; W777-L781 HydrophobicContact CZ2-CD2 3.69Å; W777-L781 HydrophobicContact CZ2-CG 4.07Å; W777-L781 WeakPolarHBondContact O-CG 3.4Å; W777-L781 PolarHBondContact O-N 2.96Å; A778-L781 PolarHBondContact O-N 2.98Å; L781-S783 VanDerWaalsContact C-N 3.35Å; L781-S783 PolarHBondContact O-N 2.83Å; L781-Y784 PolarHBondContact O-N 3.29Å; L781-A785 PolarHBondContact O-N 3.35Å; L781-M1386 HydrophobicContact CD1-CB 3.92Å; L781-W1389 HydrophobicContact CD1-CE3 4.08Å; L781-W1389 HydrophobicContact CD1-CZ3 4.33Å; L781-W1389 HydrophobicContact CD2-CE3 3.92Å; L781-W1389 HydrophobicContact CD2-CZ3 4.2Å; L781-L1546 HydrophobicContact CB-CD1 4.11Å; L781-L1546 HydrophobicContact CD2-CB 4.41Å; L781-L1546 HydrophobicContact CD2-CD1 4.28Å; L781-L1546 VanDerWaalsContact O-CD1 3.27Å; L781-L1546 WeakPolarHBondContact O-CD1 3.49Å |
| 782 | L | 92.6 | Very high | 92.2 | Very high | 4 Ų | 4 | 19.4 Ų | 19.4 | 2% | 0.021 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.9 | -42.9 | 174.7 | 179.7 | 64.8 | 0 | 0 | 0 | 111.7 | A778 K779 C780 Y784 A785 Y786 F822 L1588 V1745 F1746 | A778-L782 PolarHBondContact O-N 3.22Å; K779-L782 PolarHBondContact O-N 3.12Å; C780-L782 VanDerWaalsContact C-N 3.32Å; C780-L782 PolarHBondContact O-N 3.4Å; L782-Y784 VanDerWaalsContact C-N 3.34Å; L782-Y784 PolarHBondContact O-N 2.73Å; L782-A785 WeakPolarHBondContact O-CB 3.01Å; L782-A785 PolarHBondContact O-N 3.07Å; L782-Y786 HydrophobicContact CD1-CD2 4.17Å; L782-Y786 HydrophobicContact CD1-CE2 3.68Å; L782-Y786 HydrophobicContact CD2-CE2 4.09Å; L782-Y786 HydrophobicContact CG-CD2 4.03Å; L782-Y786 HydrophobicContact CG-CE2 3.69Å; L782-Y786 VanDerWaalsContact O-CD2 3.24Å; L782-Y786 WeakPolarHBondContact O-CD2 3.26Å; L782-Y786 PolarHBondContact O-N 2.9Å; L782-Y786 VanDerWaalsContact O-N 3.11Å; L782-F822 HydrophobicContact CB-CE1 4.19Å; L782-F822 HydrophobicContact CB-CZ 4.37Å; L782-F822 HydrophobicContact CD2-CE1 3.97Å; L782-F822 HydrophobicContact CD2-CZ 3.66Å; L782-F822 HydrophobicContact CG-CE1 4.17Å; L782-F822 HydrophobicContact CG-CZ 3.87Å; L782-L1588 HydrophobicContact CD1-CD2 3.71Å; L782-V1745 HydrophobicContact CB-CB 4.17Å; L782-V1745 HydrophobicContact CB-CG2 4.32Å; L782-V1745 HydrophobicContact CD2-CB 3.99Å; L782-V1745 HydrophobicContact CD2-CG1 4.33Å; L782-V1745 HydrophobicContact CG-CB 4.43Å; L782-F1746 HydrophobicContact CB-CZ 4.48Å; L782-F1746 HydrophobicContact CD1-CD1 4.08Å; L782-F1746 HydrophobicContact CD1-CE1 3.77Å; L782-F1746 HydrophobicContact CD1-CZ 4.38Å |
| 783 | S | 92.6 | Very high | 92.4 | Very high | 15 Ų | 15 | 10.6 Ų | 10.6 | 11% | 0.105 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -59.9 | -43.7 | 175.6 | -173.6 | 0 | 0 | 0 | 0 | 111.7 | K779 C780 L781 A785 Y786 T787 | K779-S783 PolarHBondContact O-N 3.35Å; C780-S783 WeakPolarHBondContact O-CB 3.25Å; C780-S783 PolarHBondContact O-N 3.46Å; C780-S783 VanDerWaalsContact O-N 3.09Å; L781-S783 VanDerWaalsContact C-N 3.35Å; L781-S783 PolarHBondContact O-N 2.83Å; S783-A785 VanDerWaalsContact C-N 3.34Å; S783-A785 PolarHBondContact O-N 2.79Å; S783-Y786 PolarHBondContact O-N 3.02Å; S783-T787 PolarHBondContact O-N 3.36Å; S783-T787 PolarHBondContact O-OG1 2.96Å; S783-T787 VanDerWaalsContact O-OG1 3.12Å |
| 784 | Y | 93.1 | Very high | 92.4 | Very high | 12 Ų | 12 | 9.3 Ų | 9.3 | 5% | 0.047 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -63.6 | -39.6 | 177.3 | -86.6 | -114.7 | 0 | 0 | 0 | 112.5 | A763 C780 L781 L782 Y786 T787 L788 I1547 R1550 | A763-Y784 PolarHBondContact O-OH 3.19Å; C780-Y784 VanDerWaalsContact O-CD2 3.24Å; C780-Y784 WeakPolarHBondContact O-CD2 3.47Å; C780-Y784 PolarHBondContact O-N 2.69Å; L781-Y784 PolarHBondContact O-N 3.29Å; L782-Y784 VanDerWaalsContact C-N 3.34Å; L782-Y784 PolarHBondContact O-N 2.73Å; Y784-Y786 VanDerWaalsContact C-N 3.31Å; Y784-Y786 PolarHBondContact O-N 3.1Å; Y784-T787 PolarHBondContact O-N 3.33Å; Y784-L788 WeakPolarHBondContact O-CG 2.99Å; Y784-L788 PolarHBondContact O-N 3.44Å; Y784-I1547 HydrophobicContact CD1-CB 4.42Å; Y784-I1547 HydrophobicContact CD1-CG1 4.05Å; Y784-I1547 HydrophobicContact CE1-CB 3.86Å; Y784-I1547 HydrophobicContact CE1-CD1 4.49Å; Y784-I1547 HydrophobicContact CE1-CG1 3.53Å; Y784-I1547 HydrophobicContact CE1-CG2 3.92Å; Y784-R1550 HydrophobicContact CD1-CB 4.4Å; Y784-R1550 PolarHBondContact OH-NH1 2.7Å; Y784-R1550 VanDerWaalsContact OH-NH1 3.12Å; Y784-R1550 PolarHBondContact OH-NH2 2.9Å |
| 785 | A | 94.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -59.1 | -44.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L781 L782 S783 L788 W789 L1546 V1584 L1588 F1746 | L781-A785 PolarHBondContact O-N 3.35Å; L782-A785 WeakPolarHBondContact O-CB 3.01Å; L782-A785 PolarHBondContact O-N 3.07Å; S783-A785 VanDerWaalsContact C-N 3.34Å; S783-A785 PolarHBondContact O-N 2.79Å; A785-L788 WeakPolarHBondContact O-CB 3.15Å; A785-L788 PolarHBondContact O-N 3.31Å; A785-W789 PolarHBondContact O-N 2.78Å; A785-L1546 HydrophobicContact CB-CD1 4.21Å; A785-V1584 HydrophobicContact CB-CG1 3.67Å; A785-L1588 HydrophobicContact CB-CD1 3.87Å; A785-L1588 HydrophobicContact CB-CD2 4Å; A785-L1588 HydrophobicContact CB-CG 4.12Å; A785-L1588 WeakPolarHBondContact O-CD1 3.4Å; A785-F1746 HydrophobicContact CB-CE1 3.82Å; A785-F1746 HydrophobicContact CB-CZ 4.25Å |
| 786 | Y | 94.1 | Very high | 92.8 | Very high | 14 Ų | 14 | 6.7 Ų | 6.7 | 6% | 0.055 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -63.4 | -43.8 | 175.1 | -79.1 | -58.7 | 0 | 0 | 0 | 112.5 | L782 S783 Y784 L788 W789 F790 I813 I817 F822 L1588 | L782-Y786 HydrophobicContact CD1-CD2 4.17Å; L782-Y786 HydrophobicContact CD1-CE2 3.68Å; L782-Y786 HydrophobicContact CD2-CE2 4.09Å; L782-Y786 HydrophobicContact CG-CD2 4.03Å; L782-Y786 HydrophobicContact CG-CE2 3.69Å; L782-Y786 VanDerWaalsContact O-CD2 3.24Å; L782-Y786 WeakPolarHBondContact O-CD2 3.26Å; L782-Y786 PolarHBondContact O-N 2.9Å; L782-Y786 VanDerWaalsContact O-N 3.11Å; S783-Y786 PolarHBondContact O-N 3.02Å; Y784-Y786 VanDerWaalsContact C-N 3.31Å; Y784-Y786 PolarHBondContact O-N 3.1Å; Y786-L788 VanDerWaalsContact C-N 3.31Å; Y786-L788 PolarHBondContact O-N 3.25Å; Y786-W789 WeakPolarHBondContact O-CB 3.37Å; Y786-W789 PolarHBondContact O-N 3.28Å; Y786-W789 VanDerWaalsContact O-N 3.11Å; Y786-F790 WeakPolarHBondContact O-CD2 3.48Å; Y786-F790 PolarHBondContact O-N 3.05Å; Y786-I813 HydrophobicContact CD1-CG2 3.88Å; Y786-I813 HydrophobicContact CE1-CG2 3.91Å; Y786-I817 HydrophobicContact CD1-CD1 3.77Å; Y786-I817 HydrophobicContact CD1-CG1 3.66Å; Y786-I817 HydrophobicContact CD2-CD1 4.21Å; Y786-I817 HydrophobicContact CD2-CG1 3.61Å; Y786-I817 HydrophobicContact CE1-CG1 4Å; Y786-I817 HydrophobicContact CE2-CG1 3.91Å; Y786-I817 HydrophobicContact CG-CD1 3.6Å; Y786-I817 HydrophobicContact CG-CG1 3.47Å; Y786-I817 VanDerWaalsContact CG-CG1 3.47Å; Y786-F822 HydrophobicContact CD2-CZ 4.25Å; Y786-F822 HydrophobicContact CE2-CZ 4.24Å; Y786-L1588 HydrophobicContact CD1-CD1 4.14Å; Y786-L1588 HydrophobicContact CD1-CD2 4.27Å; Y786-L1588 HydrophobicContact CE1-CD1 4.46Å; Y786-L1588 HydrophobicContact CE1-CD2 3.99Å; Y786-L1588 HydrophobicContact CE2-CD2 4.4Å |
| 787 | T | 93.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -59.2 | -42.4 | 176.8 | -54.8 | 0 | 0 | 0 | 0 | 111.9 | S783 Y784 W789 F790 I791 D826 V828 | S783-T787 PolarHBondContact O-N 3.36Å; S783-T787 PolarHBondContact O-OG1 2.96Å; S783-T787 VanDerWaalsContact O-OG1 3.12Å; Y784-T787 PolarHBondContact O-N 3.33Å; T787-W789 VanDerWaalsContact C-N 3.27Å; T787-W789 PolarHBondContact O-N 3.39Å; T787-F790 PolarHBondContact O-N 3.21Å; T787-F790 VanDerWaalsContact O-N 3.15Å; T787-I791 HydrophobicContact CG2-CD1 3.95Å; T787-I791 HydrophobicContact CG2-CG1 4.37Å; T787-I791 WeakPolarHBondContact O-CG1 3.43Å; T787-I791 PolarHBondContact O-N 3.45Å; T787-D826 VanDerWaalsContact CG2-OD2 3.29Å; T787-D826 WeakPolarHBondContact CG2-OD2 3.29Å; T787-D826 PolarHBondContact OG1-OD2 3.48Å; T787-V828 HydrophobicContact CG2-CB 4.22Å; T787-V828 HydrophobicContact CG2-CG1 4.09Å |
| 788 | L | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -56.2 | -41.5 | 174.9 | -76.6 | 165.9 | 0 | 0 | 0 | 112.2 | Y784 A785 Y786 I791 H792 L1546 L1549 R1550 L1553 L1581 V1584 F1585 | Y784-L788 WeakPolarHBondContact O-CG 2.99Å; Y784-L788 PolarHBondContact O-N 3.44Å; A785-L788 WeakPolarHBondContact O-CB 3.15Å; A785-L788 PolarHBondContact O-N 3.31Å; Y786-L788 VanDerWaalsContact C-N 3.31Å; Y786-L788 PolarHBondContact O-N 3.25Å; L788-I791 PolarHBondContact O-N 3.33Å; L788-H792 PolarHBondContact O-N 2.95Å; L788-H792 VanDerWaalsContact O-N 3.17Å; L788-L1546 HydrophobicContact CD1-CD2 4.01Å; L788-L1549 HydrophobicContact CD1-CD2 3.72Å; L788-L1549 HydrophobicContact CD1-CG 4.1Å; L788-L1549 HydrophobicContact CD2-CD2 4.49Å; L788-L1549 HydrophobicContact CD2-CG 4.08Å; L788-R1550 HydrophobicContact CD2-CB 3.89Å; L788-R1550 HydrophobicContact CD2-CG 4.38Å; L788-R1550 HydrophobicContact CG-CB 4.32Å; L788-L1553 HydrophobicContact CD2-CB 4.31Å; L788-L1553 HydrophobicContact CD2-CD2 3.69Å; L788-L1581 HydrophobicContact CB-CD2 4.5Å; L788-L1581 HydrophobicContact CD2-CD2 4.1Å; L788-V1584 HydrophobicContact CD1-CG1 4.34Å; L788-F1585 HydrophobicContact CB-CE1 4.25Å |
| 789 | W | 95.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 10.5 Ų | 10.5 | 0% | 0.004 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -67.8 | -40.2 | 177.5 | -175.2 | 78.8 | 0 | 0 | 0 | 111.9 | A785 Y786 T787 I791 H792 L793 A810 I813 F1585 L1588 A1590 P1591 | A785-W789 PolarHBondContact O-N 2.78Å; Y786-W789 WeakPolarHBondContact O-CB 3.37Å; Y786-W789 PolarHBondContact O-N 3.28Å; Y786-W789 VanDerWaalsContact O-N 3.11Å; T787-W789 VanDerWaalsContact C-N 3.27Å; T787-W789 PolarHBondContact O-N 3.39Å; W789-I791 PolarHBondContact O-N 2.96Å; W789-H792 WeakPolarHBondContact O-CB 3.32Å; W789-H792 PolarHBondContact O-N 2.95Å; W789-L793 HydrophobicContact CH2-CD1 3.86Å; W789-L793 HydrophobicContact CZ2-CD1 4.31Å; W789-L793 HydrophobicContact CZ3-CD1 4.4Å; W789-L793 PolarHBondContact O-N 3.01Å; W789-A810 HydrophobicContact CH2-CB 3.66Å; W789-A810 HydrophobicContact CZ3-CB 3.98Å; W789-I813 HydrophobicContact CD2-CD1 4.1Å; W789-I813 HydrophobicContact CE3-CB 4.48Å; W789-I813 HydrophobicContact CE3-CD1 4.02Å; W789-I813 HydrophobicContact CE3-CG2 3.95Å; W789-I813 HydrophobicContact CH2-CB 4.5Å; W789-I813 HydrophobicContact CH2-CD1 3.4Å; W789-I813 HydrophobicContact CH2-CG1 4.49Å; W789-I813 HydrophobicContact CZ2-CD1 3.46Å; W789-I813 VanDerWaalsContact CZ2-CD1 3.46Å; W789-I813 HydrophobicContact CZ3-CB 4.07Å; W789-I813 HydrophobicContact CZ3-CD1 3.68Å; W789-I813 HydrophobicContact CZ3-CG1 4.47Å; W789-I813 HydrophobicContact CZ3-CG2 4.02Å; W789-F1585 VanDerWaalsContact CA-CE1 3.46Å; W789-F1585 HydrophobicContact CB-CD1 4.02Å; W789-F1585 HydrophobicContact CB-CE1 3.78Å; W789-F1585 AromaticContact CD1-CD1 3.82Å; W789-F1585 HydrophobicContact CG-CD1 4.35Å; W789-F1585 HydrophobicContact CG-CE1 4.35Å; W789-L1588 HydrophobicContact CB-CD1 4.45Å; W789-A1590 VanDerWaalsContact CD1-CB 3.42Å; W789-A1590 HydrophobicContact CD2-CB 4.16Å; W789-A1590 HydrophobicContact CG-CB 3.86Å; W789-P1591 HydrophobicContact CZ2-CG 4.06Å; W789-P1591 PolarHBondContact NE1-O 3.31Å |
| 790 | F | 95.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -65.5 | -36.8 | 174.1 | -86 | -82.5 | 0 | 0 | 0 | 112.5 | Y786 T787 H792 L793 P794 I813 L814 I817 C829 I832 M833 | Y786-F790 WeakPolarHBondContact O-CD2 3.48Å; Y786-F790 PolarHBondContact O-N 3.05Å; T787-F790 PolarHBondContact O-N 3.21Å; T787-F790 VanDerWaalsContact O-N 3.15Å; F790-H792 PolarHBondContact O-N 3.43Å; F790-L793 HydrophobicContact CD1-CD2 3.83Å; F790-L793 HydrophobicContact CE1-CD2 3.98Å; F790-L793 WeakPolarHBondContact O-CB 3.45Å; F790-L793 PolarHBondContact O-N 3.08Å; F790-L793 VanDerWaalsContact O-N 3.11Å; F790-P794 WeakPolarHBondContact O-CD 3.36Å; F790-I813 HydrophobicContact CE2-CG2 4.04Å; F790-I813 HydrophobicContact CZ-CG2 4.48Å; F790-L814 HydrophobicContact CZ-CB 4Å; F790-L814 HydrophobicContact CZ-CD1 4.24Å; F790-I817 HydrophobicContact CD2-CD1 4.18Å; F790-I817 HydrophobicContact CE2-CD1 3.55Å; F790-C829 HydrophobicContact CB-CB 4.49Å; F790-C829 HydrophobicContact CD1-CB 4.49Å; F790-C829 WeakPolarHBondContact CD1-O 3.46Å; F790-C829 HydrophobicContact CD2-CB 3.79Å; F790-C829 HydrophobicContact CE2-CB 4.15Å; F790-C829 HydrophobicContact CG-CB 3.99Å; F790-I832 HydrophobicContact CB-CD1 4.13Å; F790-I832 WeakPolarHBondContact O-CD1 3.43Å; F790-I832 WeakPolarHBondContact O-CG2 3.37Å; F790-M833 HydrophobicContact CE1-CB 4.08Å; F790-M833 HydrophobicContact CE1-SD 4.34Å |
| 791 | I | 92.7 | Very high | 91.3 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.3 | -33.1 | 173.8 | -65.7 | 163 | 0 | 0 | 0 | 111.6 | A753 T787 L788 W789 P794 V828 I832 R1550 L1553 E1554 V1557 | A753-I791 HydrophobicContact CB-CB 4.33Å; A753-I791 HydrophobicContact CB-CG1 3.96Å; A753-I791 HydrophobicContact CB-CG2 3.88Å; T787-I791 HydrophobicContact CG2-CD1 3.95Å; T787-I791 HydrophobicContact CG2-CG1 4.37Å; T787-I791 WeakPolarHBondContact O-CG1 3.43Å; T787-I791 PolarHBondContact O-N 3.45Å; L788-I791 PolarHBondContact O-N 3.33Å; W789-I791 PolarHBondContact O-N 2.96Å; I791-P794 WeakPolarHBondContact O-CD 3.39Å; I791-V828 HydrophobicContact CG1-CG1 4.47Å; I791-I832 HydrophobicContact CG1-CD1 4.18Å; I791-R1550 HydrophobicContact CD1-CG 4.15Å; I791-L1553 HydrophobicContact CB-CD2 3.91Å; I791-L1553 HydrophobicContact CG2-CD2 3.59Å; I791-L1553 HydrophobicContact CG2-CG 3.73Å; I791-E1554 HydrophobicContact CD1-CG 3.8Å; I791-E1554 WeakPolarHBondContact CD1-OE1 3.48Å; I791-V1557 HydrophobicContact CG2-CG2 4.1Å |
| 792 | H | 93.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -76.3 | -24.5 | 174.6 | 166.2 | -97.4 | 0 | 0 | 0 | 113.8 | L788 W789 F790 P794 A795 F796 F1585 T1592 H1593 F1594 | L788-H792 PolarHBondContact O-N 2.95Å; L788-H792 VanDerWaalsContact O-N 3.17Å; W789-H792 WeakPolarHBondContact O-CB 3.32Å; W789-H792 PolarHBondContact O-N 2.95Å; F790-H792 PolarHBondContact O-N 3.43Å; H792-P794 VanDerWaalsContact C-CD 3.46Å; H792-A795 PolarHBondContact O-N 3.26Å; H792-F796 PolarHBondContact O-N 3.4Å; H792-F1585 HydrophobicContact CB-CE2 3.99Å; H792-F1585 HydrophobicContact CB-CZ 3.67Å; H792-F1585 AromaticContact CD2-CE2 3.96Å; H792-F1585 AromaticContact CG-CE2 3.67Å; H792-F1585 AromaticContact CG-CZ 3.89Å; H792-F1585 AromaticContact ND1-CE2 3.82Å; H792-T1592 PolarHBondContact CE1-OG1 2.98Å; H792-T1592 PolarHBondContact NE2-OG1 3.28Å; H792-H1593 AromaticContact CD2-CE1 3.8Å; H792-H1593 AromaticContact CE1-CE1 3.82Å; H792-H1593 AromaticContact CE1-ND1 3.5Å; H792-H1593 PolarHBondContact CE1-ND1 3.33Å; H792-H1593 AromaticContact NE2-CE1 3.01Å; H792-H1593 PolarHBondContact NE2-CE1 2.68Å; H792-H1593 AromaticContact NE2-ND1 3.09Å; H792-H1593 PolarHBondContact NE2-ND1 3.23Å; H792-F1594 AromaticContact CD2-CE1 3.87Å; H792-F1594 AromaticContact CD2-CE2 3.7Å; H792-F1594 AromaticContact CD2-CZ 3.32Å; H792-F1594 WeakPolarHBondContact CD2-CZ 3.42Å; H792-F1594 AromaticContact NE2-CE1 3.7Å; H792-F1594 AromaticContact NE2-CE2 3.82Å; H792-F1594 AromaticContact NE2-CZ 3.55Å |
| 793 | L | 93.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -50.7 | -43.7 | -174.4 | 179.7 | 62.5 | 0 | 0 | 0 | 114.7 | W789 F790 A795 F796 M797 A810 I832 M836 | W789-L793 HydrophobicContact CH2-CD1 3.86Å; W789-L793 HydrophobicContact CZ2-CD1 4.31Å; W789-L793 HydrophobicContact CZ3-CD1 4.4Å; W789-L793 PolarHBondContact O-N 3.01Å; F790-L793 HydrophobicContact CD1-CD2 3.83Å; F790-L793 HydrophobicContact CE1-CD2 3.98Å; F790-L793 WeakPolarHBondContact O-CB 3.45Å; F790-L793 PolarHBondContact O-N 3.08Å; F790-L793 VanDerWaalsContact O-N 3.11Å; L793-A795 VanDerWaalsContact C-N 3.33Å; L793-A795 PolarHBondContact O-N 3.09Å; L793-F796 HydrophobicContact CD1-CD1 4.14Å; L793-F796 WeakPolarHBondContact O-CB 3.44Å; L793-F796 PolarHBondContact O-N 3.38Å; L793-M797 HydrophobicContact CD1-CG 3.72Å; L793-M797 HydrophobicContact CD1-SD 4.17Å; L793-M797 HydrophobicContact CG-CG 4.03Å; L793-M797 WeakPolarHBondContact O-CB 3.21Å; L793-M797 WeakPolarHBondContact O-CG 3.33Å; L793-M797 PolarHBondContact O-N 3.36Å; L793-A810 HydrophobicContact CD1-CB 3.88Å; L793-A810 HydrophobicContact CD2-CB 3.73Å; L793-A810 HydrophobicContact CG-CB 4.49Å; L793-I832 HydrophobicContact CB-CG2 4.38Å; L793-I832 HydrophobicContact CD2-CG2 4.26Å; L793-M836 HydrophobicContact CD2-CG 3.92Å; L793-M836 HydrophobicContact CG-CG 4.11Å |
| 794 | P | 92.2 | Very high | 90.2 | Very high | 17 Ų | 17 | 22.8 Ų | 22.8 | 11% | 0.11 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57.6 | -43.7 | 177.9 | -24.4 | 34.3 | 0 | 0 | 0 | 113.1 | F790 I791 H792 M797 K798 I832 M836 D1562 | F790-P794 WeakPolarHBondContact O-CD 3.36Å; I791-P794 WeakPolarHBondContact O-CD 3.39Å; H792-P794 VanDerWaalsContact C-CD 3.46Å; P794-M797 PolarHBondContact O-N 3.3Å; P794-K798 WeakPolarHBondContact O-CG 3.18Å; P794-K798 PolarHBondContact O-N 3.17Å; P794-I832 HydrophobicContact CG-CG2 4.09Å; P794-M836 HydrophobicContact CB-CE 3.95Å; P794-M836 HydrophobicContact CB-SD 4.24Å; P794-M836 HydrophobicContact CG-CE 3.78Å; P794-M836 HydrophobicContact CG-SD 4.31Å; P794-D1562 HydrophobicContact CB-CB 4.5Å |
| 795 | A | 90.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.5 | -40.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | H792 L793 M797 K798 S799 L1565 V1566 | H792-A795 PolarHBondContact O-N 3.26Å; L793-A795 VanDerWaalsContact C-N 3.33Å; L793-A795 PolarHBondContact O-N 3.09Å; A795-M797 VanDerWaalsContact C-N 3.34Å; A795-M797 PolarHBondContact O-N 2.76Å; A795-K798 WeakPolarHBondContact O-CB 3.39Å; A795-K798 PolarHBondContact O-N 3.05Å; A795-S799 PolarHBondContact O-N 2.92Å; A795-S799 VanDerWaalsContact O-N 3.08Å; A795-S799 PolarHBondContact O-OG 2.89Å; A795-L1565 HydrophobicContact CB-CB 3.5Å; A795-L1565 HydrophobicContact CB-CD1 4.08Å; A795-L1565 HydrophobicContact CB-CG 4.43Å; A795-V1566 HydrophobicContact CB-CG2 3.81Å |
| 796 | F | 91.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 0% | 0.004 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.3 | -47.1 | 173.7 | -178.1 | -119.4 | 0 | 0 | 0 | 111.8 | H792 L793 K798 S799 T800 A806 M1348 P1591 H1593 | H792-F796 PolarHBondContact O-N 3.4Å; L793-F796 HydrophobicContact CD1-CD1 4.14Å; L793-F796 WeakPolarHBondContact O-CB 3.44Å; L793-F796 PolarHBondContact O-N 3.38Å; F796-K798 VanDerWaalsContact C-N 3.28Å; F796-K798 PolarHBondContact O-N 3.38Å; F796-S799 PolarHBondContact O-N 3.15Å; F796-S799 VanDerWaalsContact O-N 3.12Å; F796-S799 PolarHBondContact O-OG 3.46Å; F796-T800 PolarHBondContact O-N 3.04Å; F796-T800 VanDerWaalsContact O-N 3.1Å; F796-A806 HydrophobicContact CE1-CB 4.05Å; F796-M1348 HydrophobicContact CE1-CE 4.04Å; F796-M1348 HydrophobicContact CZ-CE 3.96Å; F796-P1591 HydrophobicContact CE1-CB 4.36Å; F796-P1591 HydrophobicContact CE1-CG 4.05Å; F796-P1591 HydrophobicContact CE2-CB 4.38Å; F796-P1591 HydrophobicContact CZ-CB 3.79Å; F796-P1591 HydrophobicContact CZ-CG 3.99Å; F796-H1593 HydrophobicContact CD2-CB 4.22Å; F796-H1593 AromaticContact CD2-ND1 3.89Å |
| 797 | M | 89.4 | Confident | 89.1 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.4 | -33.9 | 177.4 | -69.5 | -68.7 | -66.3 | 0 | 0 | 111.8 | L793 P794 A795 K803 A806 L807 M836 Y840 | L793-M797 HydrophobicContact CD1-CG 3.72Å; L793-M797 HydrophobicContact CD1-SD 4.17Å; L793-M797 HydrophobicContact CG-CG 4.03Å; L793-M797 WeakPolarHBondContact O-CB 3.21Å; L793-M797 WeakPolarHBondContact O-CG 3.33Å; L793-M797 PolarHBondContact O-N 3.36Å; P794-M797 PolarHBondContact O-N 3.3Å; A795-M797 VanDerWaalsContact C-N 3.34Å; A795-M797 PolarHBondContact O-N 2.76Å; M797-K803 HydrophobicContact CE-CB 4.3Å; M797-K803 WeakPolarHBondContact CE-O 3.23Å; M797-K803 WeakPolarHBondContact O-CD 3.29Å; M797-K803 WeakPolarHBondContact O-CE 3.5Å; M797-K803 PolarHBondContact O-NZ 3.06Å; M797-A806 HydrophobicContact CE-CB 4.48Å; M797-A806 HydrophobicContact SD-CB 3.47Å; M797-A806 WeakPolarHBondContact SD-CB 3.49Å; M797-L807 HydrophobicContact CE-CB 4.02Å; M797-L807 HydrophobicContact CE-CD1 4.26Å; M797-M836 HydrophobicContact CB-SD 4.35Å; M797-M836 HydrophobicContact CG-CG 4.46Å; M797-M836 HydrophobicContact CG-SD 4.09Å; M797-Y840 HydrophobicContact CB-CE2 3.7Å; M797-Y840 WeakPolarHBondContact CB-OH 3.47Å; M797-Y840 HydrophobicContact CE-CD1 4.39Å; M797-Y840 HydrophobicContact CE-CD2 3.25Å; M797-Y840 HydrophobicContact CE-CE1 4.34Å; M797-Y840 HydrophobicContact CE-CE2 3.19Å; M797-Y840 HydrophobicContact CE-CG 3.89Å; M797-Y840 HydrophobicContact CG-CE2 4.13Å; M797-Y840 PolarHBondContact O-OH 3.34Å |
| 798 | K | 87.8 | Confident | 88.8 | Confident | 102 Ų | 102 | 30.5 Ų | 30.5 | 44% | 0.443 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -66.3 | -39.6 | 173 | -74.8 | 173.8 | 177.1 | 179.2 | 0 | 112.5 | P794 A795 F796 K803 D1562 V1566 | P794-K798 WeakPolarHBondContact O-CG 3.18Å; P794-K798 PolarHBondContact O-N 3.17Å; A795-K798 WeakPolarHBondContact O-CB 3.39Å; A795-K798 PolarHBondContact O-N 3.05Å; F796-K798 VanDerWaalsContact C-N 3.28Å; F796-K798 PolarHBondContact O-N 3.38Å; K798-K803 PolarHBondContact O-NZ 3Å; K798-D1562 WeakPolarHBondContact CE-OD2 3.06Å; K798-D1562 IonicContact NZ-OD1 3.64Å; K798-D1562 PolarHBondContact NZ-OD1 3.12Å; K798-D1562 IonicContact NZ-OD2 2.74Å; K798-D1562 PolarHBondContact NZ-OD2 3.43Å; K798-V1566 HydrophobicContact CB-CG2 4.2Å; K798-V1566 HydrophobicContact CD-CG2 4.46Å |
| 799 | S | 84.9 | Confident | 88.3 | Confident | 25 Ų | 25 | 31 Ų | 31 | 18% | 0.175 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -78.9 | -28.3 | -176 | 68.6 | 0 | 0 | 0 | 0 | 116 | A795 F796 H1593 | A795-S799 PolarHBondContact O-N 2.92Å; A795-S799 VanDerWaalsContact O-N 3.08Å; A795-S799 PolarHBondContact O-OG 2.89Å; F796-S799 PolarHBondContact O-N 3.15Å; F796-S799 VanDerWaalsContact O-N 3.12Å; F796-S799 PolarHBondContact O-OG 3.46Å; S799-H1593 WeakPolarHBondContact OG-CB 3.31Å |
| 800 | T | 82.8 | Confident | 88.2 | Confident | 7 Ų | 7 | 31 Ų | 31 | 4% | 0.043 | 16% | 0.159 | C | C | . | . | trans | -78 | 146.9 | -177.7 | -175.2 | 0 | 0 | 0 | 0 | 112.9 | F796 K803 A806 | F796-T800 PolarHBondContact O-N 3.04Å; F796-T800 VanDerWaalsContact O-N 3.1Å; T800-K803 HydrophobicContact CG2-CD 4.01Å; T800-K803 WeakPolarHBondContact O-CD 3.44Å; T800-K803 VanDerWaalsContact O-CE 3.24Å; T800-K803 WeakPolarHBondContact O-CE 3.42Å; T800-K803 PolarHBondContact O-NZ 3.1Å; T800-A806 HydrophobicContact CG2-CB 3.61Å | ||
| 801 | C | 79.2 | Confident | 88 | Confident | 74 Ų | 74 | 32.8 Ų | 32.8 | 50% | 0.5 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -75.9 | -47.1 | 175 | 60.3 | 0 | 0 | 0 | 0 | 112.5 | K803 W1351 | C801-K803 PolarHBondContact O-N 3.09Å; C801-W1351 PolarHBondContact SG-O 3.16Å |
| 802 | D | 82.8 | Confident | 87.8 | Confident | 70 Ų | 70 | 36.2 Ų | 36.2 | 37% | 0.374 | 19% | 0.191 | S | C | . | . | trans | -89.7 | 90.8 | 179.2 | -174.4 | -13.7 | 0 | 0 | 0 | 110.8 | I804 R805 A806 | D802-I804 VanDerWaalsContact C-N 3.33Å; D802-I804 PolarHBondContact O-N 3.22Å; D802-I804 PolarHBondContact OD1-N 2.78Å; D802-R805 HydrophobicContact CB-CB 4.13Å; D802-R805 WeakPolarHBondContact OD1-CB 3.16Å; D802-R805 PolarHBondContact OD1-N 3.39Å; D802-R805 WeakPolarHBondContact OD2-CB 3.35Å; D802-A806 PolarHBondContact O-N 3.46Å | ||
| 803 | K | 87.5 | Confident | 87.6 | Confident | 60 Ų | 60 | 36.8 Ų | 36.8 | 26% | 0.261 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.3 | -37.6 | -178.9 | -49.5 | -58.2 | -173.8 | -173.1 | 0 | 112.1 | M797 K798 T800 C801 A806 L807 Y840 | M797-K803 HydrophobicContact CE-CB 4.3Å; M797-K803 WeakPolarHBondContact CE-O 3.23Å; M797-K803 WeakPolarHBondContact O-CD 3.29Å; M797-K803 WeakPolarHBondContact O-CE 3.5Å; M797-K803 PolarHBondContact O-NZ 3.06Å; K798-K803 PolarHBondContact O-NZ 3Å; T800-K803 HydrophobicContact CG2-CD 4.01Å; T800-K803 WeakPolarHBondContact O-CD 3.44Å; T800-K803 VanDerWaalsContact O-CE 3.24Å; T800-K803 WeakPolarHBondContact O-CE 3.42Å; T800-K803 PolarHBondContact O-NZ 3.1Å; C801-K803 PolarHBondContact O-N 3.09Å; K803-A806 PolarHBondContact O-N 3.18Å; K803-L807 WeakPolarHBondContact O-CB 3.43Å; K803-L807 PolarHBondContact O-N 2.75Å; K803-Y840 HydrophobicContact CB-CD1 3.64Å; K803-Y840 HydrophobicContact CB-CE1 3.78Å; K803-Y840 HydrophobicContact CB-CG 4.33Å; K803-Y840 HydrophobicContact CD-CD1 4.43Å; K803-Y840 HydrophobicContact CD-CE1 3.68Å; K803-Y840 HydrophobicContact CG-CD1 3.87Å; K803-Y840 HydrophobicContact CG-CE1 3.6Å |
| 804 | I | 85 | Confident | 87.6 | Confident | 94 Ų | 94 | 36.8 Ų | 36.8 | 48% | 0.482 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -70.2 | -43.1 | -175.7 | -63.3 | 174.5 | 0 | 0 | 0 | 110.3 | D802 A806 L807 N808 | D802-I804 VanDerWaalsContact C-N 3.33Å; D802-I804 PolarHBondContact O-N 3.22Å; D802-I804 PolarHBondContact OD1-N 2.78Å; I804-A806 VanDerWaalsContact C-N 3.34Å; I804-L807 PolarHBondContact O-N 3.27Å; I804-N808 PolarHBondContact O-N 3.46Å; I804-N808 PolarHBondContact O-ND2 2.98Å |
| 805 | R | 81.8 | Confident | 87.4 | Confident | 104 Ų | 104 | 39.1 Ų | 39.1 | 39% | 0.392 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.9 | -40 | 175.4 | -173.9 | 175.6 | -177.7 | -178.7 | -0.7 | 111.9 | D802 N808 A809 M1348 | D802-R805 HydrophobicContact CB-CB 4.13Å; D802-R805 WeakPolarHBondContact OD1-CB 3.16Å; D802-R805 PolarHBondContact OD1-N 3.39Å; D802-R805 WeakPolarHBondContact OD2-CB 3.35Å; R805-N808 PolarHBondContact O-N 3.35Å; R805-A809 PolarHBondContact O-N 3.05Å; R805-M1348 HydrophobicContact CG-SD 4.19Å |
| 806 | A | 87.4 | Confident | 87.2 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.6 | -41.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | F796 M797 T800 D802 K803 I804 N808 A809 A810 M1348 | F796-A806 HydrophobicContact CE1-CB 4.05Å; M797-A806 HydrophobicContact CE-CB 4.48Å; M797-A806 HydrophobicContact SD-CB 3.47Å; M797-A806 WeakPolarHBondContact SD-CB 3.49Å; T800-A806 HydrophobicContact CG2-CB 3.61Å; D802-A806 PolarHBondContact O-N 3.46Å; K803-A806 PolarHBondContact O-N 3.18Å; I804-A806 VanDerWaalsContact C-N 3.34Å; A806-N808 PolarHBondContact O-N 3.05Å; A806-A809 PolarHBondContact O-N 3.34Å; A806-A810 PolarHBondContact O-N 3.38Å; A806-M1348 HydrophobicContact CB-CE 3.88Å |
| 807 | L | 90.2 | Very high | 87 | Confident | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.3 | -41.9 | 174.1 | -167.2 | 67.1 | 0 | 0 | 0 | 112.1 | M797 K803 I804 A809 A810 H811 M833 M836 Q842 L845 | M797-L807 HydrophobicContact CE-CB 4.02Å; M797-L807 HydrophobicContact CE-CD1 4.26Å; K803-L807 WeakPolarHBondContact O-CB 3.43Å; K803-L807 PolarHBondContact O-N 2.75Å; I804-L807 PolarHBondContact O-N 3.27Å; L807-A809 PolarHBondContact O-N 2.95Å; L807-A810 WeakPolarHBondContact O-CB 3.48Å; L807-A810 PolarHBondContact O-N 3.11Å; L807-H811 PolarHBondContact O-N 3.35Å; L807-M833 HydrophobicContact CD1-CE 3.59Å; L807-M833 HydrophobicContact CD1-SD 4.26Å; L807-M833 HydrophobicContact CG-CE 3.86Å; L807-M836 HydrophobicContact CD1-CB 3.62Å; L807-Q842 HydrophobicContact CD2-CB 3.95Å; L807-Q842 HydrophobicContact CD2-CG 3.62Å; L807-L845 HydrophobicContact CD2-CD2 3.82Å; L807-L845 HydrophobicContact CG-CD2 3.93Å |
| 808 | N | 86.7 | Confident | 87 | Confident | 81 Ų | 81 | 42.1 Ų | 42.1 | 43% | 0.433 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.2 | -37.7 | 176.1 | -76.1 | -48 | 0 | 0 | 0 | 112.4 | I804 R805 A806 A810 H811 C812 | I804-N808 PolarHBondContact O-N 3.46Å; I804-N808 PolarHBondContact O-ND2 2.98Å; R805-N808 PolarHBondContact O-N 3.35Å; A806-N808 PolarHBondContact O-N 3.05Å; N808-A810 VanDerWaalsContact C-N 3.34Å; N808-H811 PolarHBondContact O-N 3.43Å; N808-C812 PolarHBondContact O-N 3.12Å; N808-C812 PolarHBondContact O-SG 3.27Å; N808-C812 VanDerWaalsContact O-SG 3.35Å |
| 809 | A | 85.2 | Confident | 86.8 | Confident | 12 Ų | 12 | 41.7 Ų | 41.7 | 10% | 0.099 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.8 | -41.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R805 A806 L807 C812 I813 M1348 | R805-A809 PolarHBondContact O-N 3.05Å; A806-A809 PolarHBondContact O-N 3.34Å; L807-A809 PolarHBondContact O-N 2.95Å; A809-C812 WeakPolarHBondContact O-CB 3.28Å; A809-C812 PolarHBondContact O-N 2.94Å; A809-I813 WeakPolarHBondContact O-CG1 3.22Å; A809-I813 PolarHBondContact O-N 3.29Å; A809-M1348 HydrophobicContact CB-CE 3.97Å; A809-M1348 HydrophobicContact CB-SD 3.83Å |
| 810 | A | 92.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.7 | -43.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | W789 L793 A806 L807 N808 C812 I813 L814 M833 | W789-A810 HydrophobicContact CH2-CB 3.66Å; W789-A810 HydrophobicContact CZ3-CB 3.98Å; L793-A810 HydrophobicContact CD1-CB 3.88Å; L793-A810 HydrophobicContact CD2-CB 3.73Å; L793-A810 HydrophobicContact CG-CB 4.49Å; A806-A810 PolarHBondContact O-N 3.38Å; L807-A810 WeakPolarHBondContact O-CB 3.48Å; L807-A810 PolarHBondContact O-N 3.11Å; N808-A810 VanDerWaalsContact C-N 3.34Å; A810-C812 VanDerWaalsContact C-N 3.33Å; A810-C812 PolarHBondContact O-N 3.21Å; A810-I813 PolarHBondContact O-N 3.47Å; A810-I813 VanDerWaalsContact O-N 3.16Å; A810-L814 PolarHBondContact O-N 2.83Å; A810-M833 HydrophobicContact CB-CE 4.45Å; A810-M833 HydrophobicContact CB-SD 3.72Å |
| 811 | H | 92.3 | Very high | 86.5 | Confident | 38 Ų | 38 | 49.5 Ų | 49.5 | 18% | 0.176 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.8 | -40.3 | 174.4 | -177 | -146.1 | 0 | 0 | 0 | 112.1 | L807 N808 I813 L814 K815 M833 | L807-H811 PolarHBondContact O-N 3.35Å; N808-H811 PolarHBondContact O-N 3.43Å; H811-I813 VanDerWaalsContact C-N 3.34Å; H811-I813 PolarHBondContact O-N 3.42Å; H811-L814 WeakPolarHBondContact O-CB 3.26Å; H811-L814 PolarHBondContact O-N 2.88Å; H811-K815 PolarHBondContact O-N 3.42Å; H811-M833 HydrophobicContact CB-CE 3.75Å |
| 812 | C | 87.8 | Confident | 86.5 | Confident | 73 Ų | 73 | 47 Ų | 47 | 49% | 0.493 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.1 | -41.4 | 173.5 | -74 | 0 | 0 | 0 | 0 | 111.8 | N808 A809 A810 K815 R816 | N808-C812 PolarHBondContact O-N 3.12Å; N808-C812 PolarHBondContact O-SG 3.27Å; N808-C812 VanDerWaalsContact O-SG 3.35Å; A809-C812 WeakPolarHBondContact O-CB 3.28Å; A809-C812 PolarHBondContact O-N 2.94Å; A810-C812 VanDerWaalsContact C-N 3.33Å; A810-C812 PolarHBondContact O-N 3.21Å; C812-K815 PolarHBondContact O-N 2.82Å; C812-R816 VanDerWaalsContact O-CG 3.28Å; C812-R816 WeakPolarHBondContact O-CG 3.36Å; C812-R816 PolarHBondContact O-N 3.41Å |
| 813 | I | 90.2 | Very high | 86.1 | Confident | 12 Ų | 12 | 48.5 Ų | 48.5 | 6% | 0.062 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.2 | -42 | 175.6 | -69.6 | 165.5 | 0 | 0 | 0 | 110.6 | Y786 W789 F790 A809 A810 H811 K815 R816 I817 A1590 | Y786-I813 HydrophobicContact CD1-CG2 3.88Å; Y786-I813 HydrophobicContact CE1-CG2 3.91Å; W789-I813 HydrophobicContact CD2-CD1 4.1Å; W789-I813 HydrophobicContact CE3-CB 4.48Å; W789-I813 HydrophobicContact CE3-CD1 4.02Å; W789-I813 HydrophobicContact CE3-CG2 3.95Å; W789-I813 HydrophobicContact CH2-CB 4.5Å; W789-I813 HydrophobicContact CH2-CD1 3.4Å; W789-I813 HydrophobicContact CH2-CG1 4.49Å; W789-I813 HydrophobicContact CZ2-CD1 3.46Å; W789-I813 VanDerWaalsContact CZ2-CD1 3.46Å; W789-I813 HydrophobicContact CZ3-CB 4.07Å; W789-I813 HydrophobicContact CZ3-CD1 3.68Å; W789-I813 HydrophobicContact CZ3-CG1 4.47Å; W789-I813 HydrophobicContact CZ3-CG2 4.02Å; F790-I813 HydrophobicContact CE2-CG2 4.04Å; F790-I813 HydrophobicContact CZ-CG2 4.48Å; A809-I813 WeakPolarHBondContact O-CG1 3.22Å; A809-I813 PolarHBondContact O-N 3.29Å; A810-I813 PolarHBondContact O-N 3.47Å; A810-I813 VanDerWaalsContact O-N 3.16Å; H811-I813 VanDerWaalsContact C-N 3.34Å; H811-I813 PolarHBondContact O-N 3.42Å; I813-K815 VanDerWaalsContact C-N 3.34Å; I813-K815 PolarHBondContact O-N 3.06Å; I813-R816 WeakPolarHBondContact O-CB 3.43Å; I813-R816 PolarHBondContact O-N 2.98Å; I813-I817 HydrophobicContact CG2-CD1 4.45Å; I813-I817 WeakPolarHBondContact O-CG1 3.49Å; I813-I817 PolarHBondContact O-N 3.21Å; I813-I817 VanDerWaalsContact O-N 3.11Å; I813-A1590 HydrophobicContact CD1-CB 4.1Å |
| 814 | L | 92 | Very high | 85.5 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.2 | -43.8 | 174.4 | -171.3 | 63 | 0 | 0 | 0 | 112.3 | F790 A810 H811 R816 I817 E818 C829 Y830 M833 V849 | F790-L814 HydrophobicContact CZ-CB 4Å; F790-L814 HydrophobicContact CZ-CD1 4.24Å; A810-L814 PolarHBondContact O-N 2.83Å; H811-L814 WeakPolarHBondContact O-CB 3.26Å; H811-L814 PolarHBondContact O-N 2.88Å; L814-R816 PolarHBondContact O-N 2.86Å; L814-I817 HydrophobicContact CD1-CD1 4.45Å; L814-I817 WeakPolarHBondContact O-CB 3.3Å; L814-I817 PolarHBondContact O-N 3.26Å; L814-I817 VanDerWaalsContact O-N 3.13Å; L814-E818 PolarHBondContact O-N 3.03Å; L814-C829 HydrophobicContact CD1-CB 4.26Å; L814-Y830 HydrophobicContact CD1-CD1 4.1Å; L814-Y830 HydrophobicContact CD1-CE1 3.92Å; L814-Y830 HydrophobicContact CD1-CE2 4.39Å; L814-Y830 HydrophobicContact CD1-CG 4.42Å; L814-Y830 HydrophobicContact CD2-CD1 3.85Å; L814-Y830 HydrophobicContact CD2-CE1 3.91Å; L814-Y830 HydrophobicContact CG-CD1 4.43Å; L814-Y830 HydrophobicContact CG-CE1 4.13Å; L814-M833 HydrophobicContact CD2-CB 4.36Å; L814-M833 HydrophobicContact CD2-CG 4.11Å; L814-V849 HydrophobicContact CD2-CG1 3.83Å; L814-V849 HydrophobicContact CD2-CG2 4.38Å |
| 815 | K | 88.5 | Confident | 85.4 | Confident | 66 Ų | 66 | 46.1 Ų | 46.1 | 29% | 0.287 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.5 | -29.3 | 174.7 | -72.3 | -49.4 | -169.7 | -179.5 | 0 | 113.5 | H811 C812 I813 E818 N819 S852 | H811-K815 PolarHBondContact O-N 3.42Å; C812-K815 PolarHBondContact O-N 2.82Å; I813-K815 VanDerWaalsContact C-N 3.34Å; I813-K815 PolarHBondContact O-N 3.06Å; K815-E818 WeakPolarHBondContact CD-OE2 3.4Å; K815-E818 WeakPolarHBondContact CE-OE2 3.14Å; K815-E818 IonicContact NZ-OE1 3.88Å; K815-E818 IonicContact NZ-OE2 2.99Å; K815-E818 PolarHBondContact NZ-OE2 2.87Å; K815-N819 WeakPolarHBondContact O-CB 3.36Å; K815-N819 PolarHBondContact O-N 3.03Å; K815-N819 PolarHBondContact O-ND2 3.06Å; K815-N819 VanDerWaalsContact O-ND2 3.1Å; K815-S852 PolarHBondContact NZ-OG 2.85Å |
| 816 | R | 85.9 | Confident | 85.5 | Confident | 53 Ų | 53 | 42.6 Ų | 42.6 | 20% | 0.2 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -74.7 | -37.3 | 177.2 | -63.4 | 172.6 | 79.1 | -157.8 | -5 | 111.4 | C812 I813 L814 N819 A820 M1342 | C812-R816 VanDerWaalsContact O-CG 3.28Å; C812-R816 WeakPolarHBondContact O-CG 3.36Å; C812-R816 PolarHBondContact O-N 3.41Å; I813-R816 WeakPolarHBondContact O-CB 3.43Å; I813-R816 PolarHBondContact O-N 2.98Å; L814-R816 PolarHBondContact O-N 2.86Å; R816-N819 PolarHBondContact O-N 3.46Å; R816-A820 PolarHBondContact O-N 3.29Å; R816-A820 VanDerWaalsContact O-N 3.08Å; R816-M1342 VanDerWaalsContact CZ-CE 3.47Å; R816-M1342 VanDerWaalsContact CZ-CG 3.46Å; R816-M1342 PolarHBondContact NH2-SD 2.76Å |
| 817 | I | 88.5 | Confident | 85.7 | Confident | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60 | -49 | 172.1 | -63.6 | 170 | 0 | 0 | 0 | 110.1 | Y786 F790 I813 L814 N819 A820 F822 L825 | Y786-I817 HydrophobicContact CD1-CD1 3.77Å; Y786-I817 HydrophobicContact CD1-CG1 3.66Å; Y786-I817 HydrophobicContact CD2-CD1 4.21Å; Y786-I817 HydrophobicContact CD2-CG1 3.61Å; Y786-I817 HydrophobicContact CE1-CG1 4Å; Y786-I817 HydrophobicContact CE2-CG1 3.91Å; Y786-I817 HydrophobicContact CG-CD1 3.6Å; Y786-I817 HydrophobicContact CG-CG1 3.47Å; Y786-I817 VanDerWaalsContact CG-CG1 3.47Å; F790-I817 HydrophobicContact CD2-CD1 4.18Å; F790-I817 HydrophobicContact CE2-CD1 3.55Å; I813-I817 HydrophobicContact CG2-CD1 4.45Å; I813-I817 WeakPolarHBondContact O-CG1 3.49Å; I813-I817 PolarHBondContact O-N 3.21Å; I813-I817 VanDerWaalsContact O-N 3.11Å; L814-I817 HydrophobicContact CD1-CD1 4.45Å; L814-I817 WeakPolarHBondContact O-CB 3.3Å; L814-I817 PolarHBondContact O-N 3.26Å; L814-I817 VanDerWaalsContact O-N 3.13Å; I817-N819 VanDerWaalsContact C-N 3.34Å; I817-N819 PolarHBondContact O-N 2.78Å; I817-A820 PolarHBondContact O-N 2.88Å; I817-F822 HydrophobicContact CB-CE2 4.41Å; I817-F822 HydrophobicContact CG2-CD2 4.04Å; I817-F822 HydrophobicContact CG2-CE2 3.8Å; I817-F822 WeakPolarHBondContact O-CD2 3.36Å; I817-F822 WeakPolarHBondContact O-CE2 3.48Å; I817-L825 HydrophobicContact CG2-CD2 3.43Å; I817-L825 VanDerWaalsContact CG2-CD2 3.43Å |
| 818 | E | 88.1 | Confident | 85.8 | Confident | 7 Ų | 7 | 43.8 Ų | 43.8 | 3% | 0.033 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.8 | -45.7 | 176.2 | -73.7 | 174.9 | -177.7 | 0 | 0 | 112.1 | L814 K815 A820 R821 Y830 S852 H856 | L814-E818 PolarHBondContact O-N 3.03Å; K815-E818 WeakPolarHBondContact CD-OE2 3.4Å; K815-E818 WeakPolarHBondContact CE-OE2 3.14Å; K815-E818 IonicContact NZ-OE1 3.88Å; K815-E818 IonicContact NZ-OE2 2.99Å; K815-E818 PolarHBondContact NZ-OE2 2.87Å; E818-A820 VanDerWaalsContact C-N 3.29Å; E818-A820 PolarHBondContact O-N 2.87Å; E818-R821 PolarHBondContact O-N 2.84Å; E818-Y830 VanDerWaalsContact CG-OH 3.28Å; E818-Y830 WeakPolarHBondContact CG-OH 3.35Å; E818-Y830 PolarHBondContact OE1-OH 3.37Å; E818-S852 WeakPolarHBondContact OE1-CB 3.25Å; E818-S852 PolarHBondContact OE1-OG 3.28Å; E818-S852 PolarHBondContact OE2-OG 2.83Å; E818-S852 VanDerWaalsContact OE2-OG 3.08Å; E818-H856 VanDerWaalsContact CD-CE1 3.45Å; E818-H856 IonicContact OE1-ND1 3.19Å; E818-H856 IonicContact OE2-CE1 3.98Å; E818-H856 PolarHBondContact OE2-CE1 2.96Å |
| 819 | N | 84.8 | Confident | 86.1 | Confident | 94 Ų | 94 | 40 Ų | 40 | 50% | 0.503 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -68.8 | -23.6 | -179.5 | -72.4 | -26.5 | 0 | 0 | 0 | 113.9 | K815 R816 I817 R821 P1330 | K815-N819 WeakPolarHBondContact O-CB 3.36Å; K815-N819 PolarHBondContact O-N 3.03Å; K815-N819 PolarHBondContact O-ND2 3.06Å; K815-N819 VanDerWaalsContact O-ND2 3.1Å; R816-N819 PolarHBondContact O-N 3.46Å; I817-N819 VanDerWaalsContact C-N 3.34Å; I817-N819 PolarHBondContact O-N 2.78Å; N819-R821 PolarHBondContact O-N 3.41Å; N819-P1330 VanDerWaalsContact O-CB 3.26Å; N819-P1330 WeakPolarHBondContact O-CB 3.32Å |
| 820 | A | 82.3 | Confident | 86.6 | Confident | 7 Ų | 7 | 39.5 Ų | 39.5 | 6% | 0.058 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -6.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | R816 I817 E818 F822 A1331 | R816-A820 PolarHBondContact O-N 3.29Å; R816-A820 VanDerWaalsContact O-N 3.08Å; I817-A820 PolarHBondContact O-N 2.88Å; E818-A820 VanDerWaalsContact C-N 3.29Å; E818-A820 PolarHBondContact O-N 2.87Å; A820-F822 HydrophobicContact CB-CD2 4.08Å; A820-F822 HydrophobicContact CB-CE2 3.53Å; A820-F822 HydrophobicContact CB-CZ 3.79Å; A820-F822 PolarHBondContact O-N 3.35Å; A820-A1331 HydrophobicContact CB-CB 4.45Å |
| 821 | R | 77.6 | Confident | 86.7 | Confident | 189 Ų | 189 | 39.5 Ų | 39.5 | 71% | 0.713 | 20% | 0.195 | S | C | * | . | trans | 49.1 | 56.1 | 175.6 | -59.8 | -172 | -175.1 | -178.2 | -3.3 | 113.1 | E818 N819 P1330 | E818-R821 PolarHBondContact O-N 2.84Å; N819-R821 PolarHBondContact O-N 3.41Å; R821-P1330 HydrophobicContact CB-CG 4.04Å; R821-P1330 HydrophobicContact CG-CG 3.82Å | ||
| 822 | F | 79.8 | Confident | 86.8 | Confident | 21 Ų | 21 | 37.7 Ų | 37.7 | 9% | 0.092 | 19% | 0.187 | C | C | . | . | trans | -64.5 | 145.5 | 168.7 | -59.8 | -77.1 | 0 | 0 | 0 | 110.4 | K779 L782 Y786 I817 A820 V824 L825 | K779-F822 HydrophobicContact CB-CD1 4.05Å; K779-F822 HydrophobicContact CB-CE1 4.2Å; K779-F822 WeakPolarHBondContact O-CE1 3.36Å; L782-F822 HydrophobicContact CB-CE1 4.19Å; L782-F822 HydrophobicContact CB-CZ 4.37Å; L782-F822 HydrophobicContact CD2-CE1 3.97Å; L782-F822 HydrophobicContact CD2-CZ 3.66Å; L782-F822 HydrophobicContact CG-CE1 4.17Å; L782-F822 HydrophobicContact CG-CZ 3.87Å; Y786-F822 HydrophobicContact CD2-CZ 4.25Å; Y786-F822 HydrophobicContact CE2-CZ 4.24Å; I817-F822 HydrophobicContact CB-CE2 4.41Å; I817-F822 HydrophobicContact CG2-CD2 4.04Å; I817-F822 HydrophobicContact CG2-CE2 3.8Å; I817-F822 WeakPolarHBondContact O-CD2 3.36Å; I817-F822 WeakPolarHBondContact O-CE2 3.48Å; A820-F822 HydrophobicContact CB-CD2 4.08Å; A820-F822 HydrophobicContact CB-CE2 3.53Å; A820-F822 HydrophobicContact CB-CZ 3.79Å; A820-F822 PolarHBondContact O-N 3.35Å; F822-V824 PolarHBondContact O-N 3.33Å; F822-L825 HydrophobicContact CB-CD2 3.98Å; F822-L825 HydrophobicContact CB-CG 4.47Å; F822-L825 HydrophobicContact CD2-CD2 3.5Å; F822-L825 HydrophobicContact CE2-CD2 4.44Å; F822-L825 HydrophobicContact CG-CD2 4.16Å | ||
| 823 | D | 74.4 | Confident | 87.2 | Confident | 102 Ų | 102 | 34.2 Ų | 34.2 | 55% | 0.545 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -60 | -36.9 | 176.1 | -59.2 | -26.4 | 0 | 0 | 0 | 111.7 | Q770 | Q770-D823 PolarHBondContact NE2-OD2 2.8Š|
| 824 | V | 74.3 | Confident | 87.4 | Confident | 82 Ų | 82 | 33.7 Ų | 33.7 | 50% | 0.497 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -139.4 | 122.8 | 177.7 | -176.2 | 0 | 0 | 0 | 0 | 108 | L766 F822 | L766-V824 HydrophobicContact CD1-CB 4.47Å; L766-V824 HydrophobicContact CD1-CG2 4.06Å; L766-V824 HydrophobicContact CD2-CB 3.83Å; L766-V824 HydrophobicContact CD2-CG1 4.1Å; L766-V824 HydrophobicContact CD2-CG2 4.3Å; F822-V824 PolarHBondContact O-N 3.33Å |
| 825 | L | 82.9 | Confident | 87.4 | Confident | 21 Ų | 21 | 34.3 Ų | 34.3 | 11% | 0.11 | 16% | 0.163 | C | C | . | . | trans | -90.5 | 140.5 | 176.3 | -74.4 | 174.1 | 0 | 0 | 0 | 110.7 | I817 F822 E827 Y830 H856 V858 | I817-L825 HydrophobicContact CG2-CD2 3.43Å; I817-L825 VanDerWaalsContact CG2-CD2 3.43Å; F822-L825 HydrophobicContact CB-CD2 3.98Å; F822-L825 HydrophobicContact CB-CG 4.47Å; F822-L825 HydrophobicContact CD2-CD2 3.5Å; F822-L825 HydrophobicContact CE2-CD2 4.44Å; F822-L825 HydrophobicContact CG-CD2 4.16Å; L825-E827 PolarHBondContact O-N 2.83Å; L825-Y830 HydrophobicContact CB-CE2 4.3Å; L825-Y830 HydrophobicContact CD1-CE2 4.43Å; L825-Y830 WeakPolarHBondContact CD1-OH 3.43Å; L825-H856 HydrophobicContact CD1-CB 3.77Å; L825-V858 HydrophobicContact CB-CG2 3.5Å; L825-V858 HydrophobicContact CD1-CG2 4.11Å; L825-V858 HydrophobicContact CG-CG2 4.4Å | ||
| 826 | D | 85.7 | Confident | 87.6 | Confident | 31 Ų | 31 | 31.2 Ų | 31.2 | 17% | 0.166 | 15% | 0.15 | C | C | . | . | trans | -75.3 | 119.7 | 179.8 | -164.5 | -17.2 | 0 | 0 | 0 | 111.2 | R755 T787 V828 C829 | R755-D826 IonicContact CZ-OD2 3.27Å; R755-D826 IonicContact NH2-OD1 3.02Å; R755-D826 IonicContact NH2-OD2 3.14Å; R755-D826 PolarHBondContact NH2-OD2 2.82Å; T787-D826 VanDerWaalsContact CG2-OD2 3.29Å; T787-D826 WeakPolarHBondContact CG2-OD2 3.29Å; T787-D826 PolarHBondContact OG1-OD2 3.48Å; D826-V828 PolarHBondContact O-N 2.92Å; D826-V828 WeakPolarHBondContact OD1-CB 3.45Å; D826-V828 WeakPolarHBondContact OD1-CG2 3.17Å; D826-V828 PolarHBondContact OD1-N 3.27Å; D826-V828 VanDerWaalsContact OD1-N 3.07Å; D826-C829 PolarHBondContact O-N 3.4Å | ||
| 827 | E | 91.3 | Very high | 87.9 | Confident | 26 Ų | 26 | 28.7 Ų | 28.7 | 12% | 0.121 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.9 | -30.6 | 177.4 | 178.1 | 171.5 | -172.3 | 0 | 0 | 112.3 | L825 C829 Y830 R831 M853 V858 N861 T864 | L825-E827 PolarHBondContact O-N 2.83Å; E827-C829 VanDerWaalsContact C-N 3.27Å; E827-C829 PolarHBondContact O-N 3.34Å; E827-Y830 PolarHBondContact O-N 2.78Å; E827-Y830 VanDerWaalsContact O-N 3.17Å; E827-R831 WeakPolarHBondContact O-CB 3.36Å; E827-R831 PolarHBondContact O-N 2.89Å; E827-M853 HydrophobicContact CG-CE 3.78Å; E827-V858 HydrophobicContact CB-CG1 4.14Å; E827-N861 VanDerWaalsContact CD-ND2 3.35Å; E827-N861 PolarHBondContact OE1-N 3.05Å; E827-N861 PolarHBondContact OE1-ND2 2.85Å; E827-N861 PolarHBondContact OE1-OD1 3.25Å; E827-N861 PolarHBondContact OE2-ND2 3.17Å; E827-T864 VanDerWaalsContact CD-OG1 3.26Å; E827-T864 HydrophobicContact CG-CG2 4.34Å; E827-T864 WeakPolarHBondContact CG-OG1 3.36Å; E827-T864 WeakPolarHBondContact OE1-CB 3.32Å; E827-T864 PolarHBondContact OE1-OG1 3.22Å |
| 828 | V | 91.6 | Very high | 88 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.4 | -38.7 | -178.4 | 176.5 | 0 | 0 | 0 | 0 | 111.8 | R755 T787 I791 D826 Y830 R831 I832 | R755-V828 HydrophobicContact CG-CG2 3.96Å; T787-V828 HydrophobicContact CG2-CB 4.22Å; T787-V828 HydrophobicContact CG2-CG1 4.09Å; I791-V828 HydrophobicContact CG1-CG1 4.47Å; D826-V828 PolarHBondContact O-N 2.92Å; D826-V828 WeakPolarHBondContact OD1-CB 3.45Å; D826-V828 WeakPolarHBondContact OD1-CG2 3.17Å; D826-V828 PolarHBondContact OD1-N 3.27Å; D826-V828 VanDerWaalsContact OD1-N 3.07Å; V828-Y830 PolarHBondContact O-N 3.49Å; V828-R831 PolarHBondContact O-N 2.87Å; V828-I832 HydrophobicContact CG1-CD1 3.64Å; V828-I832 HydrophobicContact CG1-CG1 4.23Å; V828-I832 WeakPolarHBondContact O-CG1 3.36Å; V828-I832 PolarHBondContact O-N 2.95Å |
| 829 | C | 93.4 | Very high | 88 | Confident | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.02 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.7 | -45.1 | 179.4 | -63.6 | 0 | 0 | 0 | 0 | 111.5 | F790 L814 D826 E827 M833 | F790-C829 HydrophobicContact CB-CB 4.49Å; F790-C829 HydrophobicContact CD1-CB 4.49Å; F790-C829 WeakPolarHBondContact CD1-O 3.46Å; F790-C829 HydrophobicContact CD2-CB 3.79Å; F790-C829 HydrophobicContact CE2-CB 4.15Å; F790-C829 HydrophobicContact CG-CB 3.99Å; L814-C829 HydrophobicContact CD1-CB 4.26Å; D826-C829 PolarHBondContact O-N 3.4Å; E827-C829 VanDerWaalsContact C-N 3.27Å; E827-C829 PolarHBondContact O-N 3.34Å; C829-M833 WeakPolarHBondContact O-CB 3.45Å; C829-M833 PolarHBondContact O-N 2.95Å; C829-M833 VanDerWaalsContact O-N 3.12Å |
| 830 | Y | 95.4 | Very high | 88.3 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 0% | 0.004 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.7 | -44.9 | 176.4 | -67.5 | -85.1 | 0 | 0 | 0 | 111.4 | L814 E818 L825 E827 V828 I832 M833 I834 V849 M853 V858 | L814-Y830 HydrophobicContact CD1-CD1 4.1Å; L814-Y830 HydrophobicContact CD1-CE1 3.92Å; L814-Y830 HydrophobicContact CD1-CE2 4.39Å; L814-Y830 HydrophobicContact CD1-CG 4.42Å; L814-Y830 HydrophobicContact CD2-CD1 3.85Å; L814-Y830 HydrophobicContact CD2-CE1 3.91Å; L814-Y830 HydrophobicContact CG-CD1 4.43Å; L814-Y830 HydrophobicContact CG-CE1 4.13Å; E818-Y830 VanDerWaalsContact CG-OH 3.28Å; E818-Y830 WeakPolarHBondContact CG-OH 3.35Å; E818-Y830 PolarHBondContact OE1-OH 3.37Å; L825-Y830 HydrophobicContact CB-CE2 4.3Å; L825-Y830 HydrophobicContact CD1-CE2 4.43Å; L825-Y830 WeakPolarHBondContact CD1-OH 3.43Å; E827-Y830 PolarHBondContact O-N 2.78Å; E827-Y830 VanDerWaalsContact O-N 3.17Å; V828-Y830 PolarHBondContact O-N 3.49Å; Y830-I832 PolarHBondContact O-N 2.81Å; Y830-M833 PolarHBondContact O-N 3.27Å; Y830-I834 WeakPolarHBondContact O-CB 3.42Å; Y830-I834 VanDerWaalsContact O-CG1 3.24Å; Y830-I834 WeakPolarHBondContact O-CG1 3.45Å; Y830-I834 PolarHBondContact O-N 3.13Å; Y830-V849 HydrophobicContact CD1-CG1 3.95Å; Y830-M853 HydrophobicContact CD1-CB 3.54Å; Y830-M853 HydrophobicContact CD1-CG 3.85Å; Y830-M853 HydrophobicContact CD2-CG 4.07Å; Y830-M853 HydrophobicContact CE1-CB 3.79Å; Y830-M853 HydrophobicContact CE1-CG 4.28Å; Y830-M853 HydrophobicContact CE2-CG 4.47Å; Y830-M853 HydrophobicContact CG-CB 3.97Å; Y830-M853 HydrophobicContact CG-CG 3.73Å; Y830-M853 HydrophobicContact CG-SD 4.16Å; Y830-V858 HydrophobicContact CD2-CG1 4.38Å; Y830-V858 HydrophobicContact CE2-CB 4.43Å; Y830-V858 HydrophobicContact CE2-CG2 3.92Å |
| 831 | R | 94.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57 | -47.9 | -179.9 | -179.1 | 168.4 | 53.3 | -134.3 | 22.2 | 111.9 | A752 K754 E759 E827 V828 I834 Q835 T864 I867 | A752-R831 HydrophobicContact CB-CG 4.05Å; A752-R831 PolarHBondContact O-NE 3.19Å; K754-R831 PolarHBondContact O-NH2 3.37Å; E759-R831 IonicContact OE1-CZ 3.34Å; E759-R831 IonicContact OE1-NH1 2.8Å; E759-R831 PolarHBondContact OE1-NH1 3.23Å; E759-R831 IonicContact OE1-NH2 2.68Å; E759-R831 PolarHBondContact OE1-NH2 3.25Å; E759-R831 IonicContact OE2-CZ 3.85Å; E759-R831 IonicContact OE2-NH1 3.69Å; E759-R831 IonicContact OE2-NH2 3.04Å; E759-R831 PolarHBondContact OE2-NH2 2.84Å; E827-R831 WeakPolarHBondContact O-CB 3.36Å; E827-R831 PolarHBondContact O-N 2.89Å; V828-R831 PolarHBondContact O-N 2.87Å; R831-I834 PolarHBondContact O-N 3.05Å; R831-Q835 PolarHBondContact O-N 3.41Å; R831-T864 HydrophobicContact CB-CG2 3.93Å; R831-T864 WeakPolarHBondContact CD-OG1 3.27Å; R831-T864 HydrophobicContact CG-CG2 4.3Å; R831-T864 PolarHBondContact NH1-OG1 3.29Å; R831-T864 VanDerWaalsContact NH1-OG1 3.12Å; R831-I867 HydrophobicContact CG-CD1 3.52Å |
| 832 | I | 93.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.3 | -43.8 | 177.7 | -63.5 | 170.8 | 0 | 0 | 0 | 110.6 | A752 A753 F790 I791 L793 P794 V828 Y830 I834 Q835 M836 | A752-I832 HydrophobicContact CB-CB 4.46Å; A752-I832 HydrophobicContact CB-CG1 3.73Å; A753-I832 HydrophobicContact CB-CD1 4.15Å; F790-I832 HydrophobicContact CB-CD1 4.13Å; F790-I832 WeakPolarHBondContact O-CD1 3.43Å; F790-I832 WeakPolarHBondContact O-CG2 3.37Å; I791-I832 HydrophobicContact CG1-CD1 4.18Å; L793-I832 HydrophobicContact CB-CG2 4.38Å; L793-I832 HydrophobicContact CD2-CG2 4.26Å; P794-I832 HydrophobicContact CG-CG2 4.09Å; V828-I832 HydrophobicContact CG1-CD1 3.64Å; V828-I832 HydrophobicContact CG1-CG1 4.23Å; V828-I832 WeakPolarHBondContact O-CG1 3.36Å; V828-I832 PolarHBondContact O-N 2.95Å; Y830-I832 PolarHBondContact O-N 2.81Å; I832-I834 VanDerWaalsContact C-N 3.31Å; I832-I834 PolarHBondContact O-N 3.31Å; I832-Q835 PolarHBondContact O-N 3.11Å; I832-M836 HydrophobicContact CG2-CE 4.45Å; I832-M836 HydrophobicContact CG2-CG 4.33Å; I832-M836 WeakPolarHBondContact O-CG 3.46Å; I832-M836 PolarHBondContact O-N 2.79Å |
| 833 | M | 95.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.5 | -43.6 | 177.8 | -174.1 | 65.5 | -158.1 | 0 | 0 | 112 | F790 L807 A810 H811 L814 C829 Y830 M836 C837 L845 V849 | F790-M833 HydrophobicContact CE1-CB 4.08Å; F790-M833 HydrophobicContact CE1-SD 4.34Å; L807-M833 HydrophobicContact CD1-CE 3.59Å; L807-M833 HydrophobicContact CD1-SD 4.26Å; L807-M833 HydrophobicContact CG-CE 3.86Å; A810-M833 HydrophobicContact CB-CE 4.45Å; A810-M833 HydrophobicContact CB-SD 3.72Å; H811-M833 HydrophobicContact CB-CE 3.75Å; L814-M833 HydrophobicContact CD2-CB 4.36Å; L814-M833 HydrophobicContact CD2-CG 4.11Å; C829-M833 WeakPolarHBondContact O-CB 3.45Å; C829-M833 PolarHBondContact O-N 2.95Å; C829-M833 VanDerWaalsContact O-N 3.12Å; Y830-M833 PolarHBondContact O-N 3.27Å; M833-M836 PolarHBondContact O-N 2.97Å; M833-C837 PolarHBondContact O-N 3.2Å; M833-C837 PolarHBondContact O-SG 2.79Å; M833-L845 HydrophobicContact CE-CD2 3.83Å; M833-L845 HydrophobicContact CE-CG 4.42Å; M833-V849 HydrophobicContact CB-CG1 4.28Å; M833-V849 HydrophobicContact CG-CG1 4.09Å; M833-V849 HydrophobicContact CG-CG2 3.88Å |
| 834 | I | 95 | Very high | 90.7 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.8 | -46.3 | 176.5 | -70.8 | 168.4 | 0 | 0 | 0 | 110.5 | Y830 R831 I832 M836 C837 G838 V849 F850 T864 I867 Y868 S871 | Y830-I834 WeakPolarHBondContact O-CB 3.42Å; Y830-I834 VanDerWaalsContact O-CG1 3.24Å; Y830-I834 WeakPolarHBondContact O-CG1 3.45Å; Y830-I834 PolarHBondContact O-N 3.13Å; R831-I834 PolarHBondContact O-N 3.05Å; I832-I834 VanDerWaalsContact C-N 3.31Å; I832-I834 PolarHBondContact O-N 3.31Å; I834-M836 VanDerWaalsContact C-N 3.31Å; I834-M836 PolarHBondContact O-N 3.37Å; I834-C837 WeakPolarHBondContact O-CB 3.4Å; I834-C837 PolarHBondContact O-N 3.15Å; I834-C837 VanDerWaalsContact O-N 3.09Å; I834-G838 PolarHBondContact O-N 3.03Å; I834-V849 HydrophobicContact CD1-CG1 4.24Å; I834-V849 HydrophobicContact CG1-CB 4.19Å; I834-V849 HydrophobicContact CG1-CG1 3.7Å; I834-F850 HydrophobicContact CD1-CB 4.41Å; I834-F850 HydrophobicContact CD1-CD2 4.35Å; I834-T864 HydrophobicContact CD1-CG2 4.45Å; I834-I867 HydrophobicContact CG2-CG2 4.1Å; I834-Y868 HydrophobicContact CD1-CD2 4.42Å; I834-Y868 VanDerWaalsContact CG2-CA 3.46Å; I834-Y868 HydrophobicContact CG2-CD2 4.16Å; I834-S871 PolarHBondContact O-OG 3.36Å |
| 835 | Q | 91.8 | Very high | 91.6 | Very high | 13 Ų | 13 | 23.4 Ų | 23.4 | 6% | 0.061 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57.9 | -43.9 | 176.5 | -170.5 | -175.7 | 38.7 | 0 | 0 | 111.6 | I747 T750 A752 R831 I832 C837 G838 L839 I867 | I747-Q835 HydrophobicContact CG2-CG 4.04Å; I747-Q835 PolarHBondContact O-NE2 3.17Å; T750-Q835 PolarHBondContact O-NE2 3.07Å; T750-Q835 VanDerWaalsContact O-NE2 3.09Å; A752-Q835 HydrophobicContact CB-CB 4.26Å; R831-Q835 PolarHBondContact O-N 3.41Å; I832-Q835 PolarHBondContact O-N 3.11Å; Q835-C837 VanDerWaalsContact C-N 3.32Å; Q835-C837 PolarHBondContact O-N 2.8Å; Q835-G838 PolarHBondContact O-N 3.39Å; Q835-G838 VanDerWaalsContact O-N 3.15Å; Q835-L839 HydrophobicContact CG-CD1 4.32Å; Q835-L839 WeakPolarHBondContact O-CG 3.46Å; Q835-L839 PolarHBondContact O-N 3.18Å; Q835-I867 HydrophobicContact CB-CG2 3.83Å; Q835-I867 HydrophobicContact CG-CG2 4.41Å |
| 836 | M | 93 | Very high | 92.1 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.6 | -38.7 | 176.4 | -64 | -54.4 | 103.3 | 0 | 0 | 111.5 | L793 P794 M797 L807 I832 M833 I834 G838 L839 Y840 | L793-M836 HydrophobicContact CD2-CG 3.92Å; L793-M836 HydrophobicContact CG-CG 4.11Å; P794-M836 HydrophobicContact CB-CE 3.95Å; P794-M836 HydrophobicContact CB-SD 4.24Å; P794-M836 HydrophobicContact CG-CE 3.78Å; P794-M836 HydrophobicContact CG-SD 4.31Å; M797-M836 HydrophobicContact CB-SD 4.35Å; M797-M836 HydrophobicContact CG-CG 4.46Å; M797-M836 HydrophobicContact CG-SD 4.09Å; L807-M836 HydrophobicContact CD1-CB 3.62Å; I832-M836 HydrophobicContact CG2-CE 4.45Å; I832-M836 HydrophobicContact CG2-CG 4.33Å; I832-M836 WeakPolarHBondContact O-CG 3.46Å; I832-M836 PolarHBondContact O-N 2.79Å; M833-M836 PolarHBondContact O-N 2.97Å; I834-M836 VanDerWaalsContact C-N 3.31Å; I834-M836 PolarHBondContact O-N 3.37Å; M836-G838 VanDerWaalsContact C-N 3.27Å; M836-G838 PolarHBondContact O-N 3Å; M836-L839 HydrophobicContact CE-CD1 3.67Å; M836-L839 PolarHBondContact O-N 3.38Å; M836-L839 HydrophobicContact SD-CD1 4.35Å; M836-Y840 HydrophobicContact CB-CD2 4.47Å; M836-Y840 VanDerWaalsContact O-CD2 3.26Å; M836-Y840 WeakPolarHBondContact O-CD2 3.38Å; M836-Y840 PolarHBondContact O-N 3.16Å; M836-Y840 HydrophobicContact SD-CE2 4.15Å |
| 837 | C | 93.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.2 | -38.5 | 173.7 | -64.5 | 0 | 0 | 0 | 0 | 111.9 | M833 I834 Q835 E841 Q842 A846 | M833-C837 PolarHBondContact O-N 3.2Å; M833-C837 PolarHBondContact O-SG 2.79Å; I834-C837 WeakPolarHBondContact O-CB 3.4Å; I834-C837 PolarHBondContact O-N 3.15Å; I834-C837 VanDerWaalsContact O-N 3.09Å; Q835-C837 VanDerWaalsContact C-N 3.32Å; Q835-C837 PolarHBondContact O-N 2.8Å; C837-E841 PolarHBondContact O-N 3.08Å; C837-Q842 HydrophobicContact CB-CB 4.43Å; C837-Q842 PolarHBondContact O-N 3.28Å; C837-A846 HydrophobicContact CB-CB 3.68Å |
| 838 | G | 90.2 | Very high | 92.7 | Very high | 12 Ų | 12 | 26.8 Ų | 26.8 | 12% | 0.124 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.2 | -49.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | I834 Q835 M836 Y840 E841 | I834-G838 PolarHBondContact O-N 3.03Å; Q835-G838 PolarHBondContact O-N 3.39Å; Q835-G838 VanDerWaalsContact O-N 3.15Å; M836-G838 VanDerWaalsContact C-N 3.27Å; M836-G838 PolarHBondContact O-N 3Å; G838-Y840 VanDerWaalsContact C-N 3.27Å; G838-Y840 PolarHBondContact O-N 3.43Å; G838-E841 PolarHBondContact O-N 3.1Å |
| 839 | L | 88.4 | Confident | 92.9 | Very high | 74 Ų | 74 | 26.8 Ų | 26.8 | 39% | 0.387 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -62.1 | -31.2 | -178.4 | -75.1 | 176.1 | 0 | 0 | 0 | 113.7 | I747 Q835 M836 | I747-L839 HydrophobicContact CG2-CD2 3.64Å; I747-L839 HydrophobicContact CG2-CG 4.04Å; Q835-L839 HydrophobicContact CG-CD1 4.32Å; Q835-L839 WeakPolarHBondContact O-CG 3.46Å; Q835-L839 PolarHBondContact O-N 3.18Å; M836-L839 HydrophobicContact CE-CD1 3.67Å; M836-L839 PolarHBondContact O-N 3.38Å; M836-L839 HydrophobicContact SD-CD1 4.35Å |
| 840 | Y | 89.9 | Confident | 92.9 | Very high | 56 Ų | 56 | 27 Ų | 27 | 22% | 0.22 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | 24.6 | -178.8 | -63.2 | -74.1 | 0 | 0 | 0 | 113.2 | M797 K803 M836 G838 Q842 | M797-Y840 HydrophobicContact CB-CE2 3.7Å; M797-Y840 WeakPolarHBondContact CB-OH 3.47Å; M797-Y840 HydrophobicContact CE-CD1 4.39Å; M797-Y840 HydrophobicContact CE-CD2 3.25Å; M797-Y840 HydrophobicContact CE-CE1 4.34Å; M797-Y840 HydrophobicContact CE-CE2 3.19Å; M797-Y840 HydrophobicContact CE-CG 3.89Å; M797-Y840 HydrophobicContact CG-CE2 4.13Å; M797-Y840 PolarHBondContact O-OH 3.34Å; K803-Y840 HydrophobicContact CB-CD1 3.64Å; K803-Y840 HydrophobicContact CB-CE1 3.78Å; K803-Y840 HydrophobicContact CB-CG 4.33Å; K803-Y840 HydrophobicContact CD-CD1 4.43Å; K803-Y840 HydrophobicContact CD-CE1 3.68Å; K803-Y840 HydrophobicContact CG-CD1 3.87Å; K803-Y840 HydrophobicContact CG-CE1 3.6Å; M836-Y840 HydrophobicContact CB-CD2 4.47Å; M836-Y840 VanDerWaalsContact O-CD2 3.26Å; M836-Y840 WeakPolarHBondContact O-CD2 3.38Å; M836-Y840 PolarHBondContact O-N 3.16Å; M836-Y840 HydrophobicContact SD-CE2 4.15Å; G838-Y840 VanDerWaalsContact C-N 3.27Å; G838-Y840 PolarHBondContact O-N 3.43Å; Y840-Q842 WeakPolarHBondContact O-CG 3.4Å; Y840-Q842 PolarHBondContact O-N 3.28Å |
| 841 | E | 89.9 | Confident | 92.9 | Very high | 105 Ų | 105 | 29.5 Ų | 29.5 | 49% | 0.491 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 42.8 | 171.2 | -57.8 | -174.6 | 160.9 | 0 | 0 | 114.7 | C837 G838 P843 | C837-E841 PolarHBondContact O-N 3.08Å; G838-E841 PolarHBondContact O-N 3.1Å; E841-P843 VanDerWaalsContact O-CD 3.27Å; E841-P843 WeakPolarHBondContact O-CD 3.4Å |
| 842 | Q | 91.8 | Very high | 92.8 | Very high | 67 Ų | 67 | 29.7 Ų | 29.7 | 31% | 0.313 | 15% | 0.15 | S | C | . | . | trans | -115.8 | 63.4 | 176.9 | -62.4 | -58 | -50.3 | 0 | 0 | 112.6 | L807 C837 Y840 V844 L845 A846 | L807-Q842 HydrophobicContact CD2-CB 3.95Å; L807-Q842 HydrophobicContact CD2-CG 3.62Å; C837-Q842 HydrophobicContact CB-CB 4.43Å; C837-Q842 PolarHBondContact O-N 3.28Å; Y840-Q842 WeakPolarHBondContact O-CG 3.4Å; Y840-Q842 PolarHBondContact O-N 3.28Å; Q842-V844 VanDerWaalsContact C-N 3.32Å; Q842-V844 PolarHBondContact O-N 3.49Å; Q842-L845 HydrophobicContact CB-CB 4.05Å; Q842-L845 PolarHBondContact O-N 3.37Å; Q842-L845 VanDerWaalsContact O-N 3.1Å; Q842-A846 PolarHBondContact O-N 3.35Å; Q842-A846 VanDerWaalsContact O-N 3.12Å | ||
| 843 | P | 92.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.5 | -34.6 | -174.2 | 24.8 | -31.9 | 0 | 0 | 0 | 112.8 | E841 L845 A846 V847 A875 W877 | E841-P843 VanDerWaalsContact O-CD 3.27Å; E841-P843 WeakPolarHBondContact O-CD 3.4Å; P843-L845 VanDerWaalsContact C-N 3.27Å; P843-L845 PolarHBondContact O-N 2.93Å; P843-A846 WeakPolarHBondContact O-CB 3.47Å; P843-A846 PolarHBondContact O-N 3.16Å; P843-A846 VanDerWaalsContact O-N 3.13Å; P843-V847 WeakPolarHBondContact O-CG2 3.09Å; P843-V847 PolarHBondContact O-N 2.95Å; P843-A875 HydrophobicContact CB-CB 4.05Å; P843-A875 HydrophobicContact CG-CB 4.09Å; P843-W877 HydrophobicContact CB-CD2 4.11Å; P843-W877 HydrophobicContact CB-CG 4.49Å; P843-W877 HydrophobicContact CB-CZ2 4.01Å; P843-W877 HydrophobicContact CG-CD2 3.86Å; P843-W877 HydrophobicContact CG-CE3 4.38Å; P843-W877 HydrophobicContact CG-CG 3.94Å |
| 844 | V | 91.2 | Very high | 92.6 | Very high | 61 Ų | 61 | 33.1 Ų | 33.1 | 37% | 0.37 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.2 | -35.5 | 177.1 | -179.2 | 0 | 0 | 0 | 0 | 111.4 | Q842 K848 W877 P878 | Q842-V844 VanDerWaalsContact C-N 3.32Å; Q842-V844 PolarHBondContact O-N 3.49Å; V844-K848 WeakPolarHBondContact O-CG 3.33Å; V844-K848 PolarHBondContact O-N 3.39Å; V844-K848 VanDerWaalsContact O-N 3.14Å; V844-W877 HydrophobicContact CG2-CE3 4.25Å; V844-W877 HydrophobicContact CG2-CZ3 3.99Å; V844-P878 HydrophobicContact CG2-CG 4.16Å |
| 845 | L | 92.5 | Very high | 92.3 | Very high | 18 Ų | 18 | 39.9 Ų | 39.9 | 9% | 0.094 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -71.5 | -39.5 | 174.7 | -175.4 | 59.5 | 0 | 0 | 0 | 110.9 | L807 M833 Q842 P843 V847 K848 V849 | L807-L845 HydrophobicContact CD2-CD2 3.82Å; L807-L845 HydrophobicContact CG-CD2 3.93Å; M833-L845 HydrophobicContact CE-CD2 3.83Å; M833-L845 HydrophobicContact CE-CG 4.42Å; Q842-L845 HydrophobicContact CB-CB 4.05Å; Q842-L845 PolarHBondContact O-N 3.37Å; Q842-L845 VanDerWaalsContact O-N 3.1Å; P843-L845 VanDerWaalsContact C-N 3.27Å; P843-L845 PolarHBondContact O-N 2.93Å; L845-V847 VanDerWaalsContact C-N 3.32Å; L845-V847 PolarHBondContact O-N 2.97Å; L845-K848 WeakPolarHBondContact O-CB 3.12Å; L845-K848 PolarHBondContact O-N 3Å; L845-K848 VanDerWaalsContact O-N 3.13Å; L845-V849 HydrophobicContact CD1-CG2 4.36Å; L845-V849 HydrophobicContact CG-CG2 4.38Å; L845-V849 WeakPolarHBondContact O-CG2 3.26Å; L845-V849 PolarHBondContact O-N 2.88Å |
| 846 | A | 94.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.5 | -45.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | C837 Q842 P843 K848 V849 F850 V872 | C837-A846 HydrophobicContact CB-CB 3.68Å; Q842-A846 PolarHBondContact O-N 3.35Å; Q842-A846 VanDerWaalsContact O-N 3.12Å; P843-A846 WeakPolarHBondContact O-CB 3.47Å; P843-A846 PolarHBondContact O-N 3.16Å; P843-A846 VanDerWaalsContact O-N 3.13Å; A846-K848 PolarHBondContact O-N 3.44Å; A846-V849 PolarHBondContact O-N 2.84Å; A846-F850 WeakPolarHBondContact O-CB 3.31Å; A846-F850 PolarHBondContact O-N 3.32Å; A846-V872 HydrophobicContact CB-CG2 4.2Å |
| 847 | V | 94.5 | Very high | 91.9 | Very high | 22 Ų | 22 | 46.1 Ų | 46.1 | 13% | 0.133 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.1 | -45.5 | 174.7 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | P843 L845 V849 F850 V851 V872 W877 | P843-V847 WeakPolarHBondContact O-CG2 3.09Å; P843-V847 PolarHBondContact O-N 2.95Å; L845-V847 VanDerWaalsContact C-N 3.32Å; L845-V847 PolarHBondContact O-N 2.97Å; V847-V849 PolarHBondContact O-N 3.01Å; V847-F850 PolarHBondContact O-N 3.01Å; V847-V851 HydrophobicContact CG1-CG2 4.45Å; V847-V851 WeakPolarHBondContact O-CG2 3.39Å; V847-V851 PolarHBondContact O-N 3.3Å; V847-V872 HydrophobicContact CG2-CG2 4.1Å; V847-W877 HydrophobicContact CG2-CH2 4.14Å |
| 848 | K | 93.6 | Very high | 91.7 | Very high | 128 Ų | 128 | 46.8 Ų | 46.8 | 56% | 0.557 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -61.8 | -44.5 | 177.4 | -74 | 175.3 | -179.5 | -179.9 | 0 | 112.5 | V844 L845 A846 F850 V851 S852 | V844-K848 WeakPolarHBondContact O-CG 3.33Å; V844-K848 PolarHBondContact O-N 3.39Å; V844-K848 VanDerWaalsContact O-N 3.14Å; L845-K848 WeakPolarHBondContact O-CB 3.12Å; L845-K848 PolarHBondContact O-N 3Å; L845-K848 VanDerWaalsContact O-N 3.13Å; A846-K848 PolarHBondContact O-N 3.44Å; K848-F850 VanDerWaalsContact C-N 3.35Å; K848-V851 PolarHBondContact O-N 3.3Å; K848-S852 VanDerWaalsContact O-CB 3.32Å; K848-S852 WeakPolarHBondContact O-CB 3.43Å; K848-S852 PolarHBondContact O-N 2.88Å |
| 849 | V | 95.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 177.9 | 173.3 | 0 | 0 | 0 | 0 | 110.3 | L814 Y830 M833 I834 L845 A846 V847 S852 M853 | L814-V849 HydrophobicContact CD2-CG1 3.83Å; L814-V849 HydrophobicContact CD2-CG2 4.38Å; Y830-V849 HydrophobicContact CD1-CG1 3.95Å; M833-V849 HydrophobicContact CB-CG1 4.28Å; M833-V849 HydrophobicContact CG-CG1 4.09Å; M833-V849 HydrophobicContact CG-CG2 3.88Å; I834-V849 HydrophobicContact CD1-CG1 4.24Å; I834-V849 HydrophobicContact CG1-CB 4.19Å; I834-V849 HydrophobicContact CG1-CG1 3.7Å; L845-V849 HydrophobicContact CD1-CG2 4.36Å; L845-V849 HydrophobicContact CG-CG2 4.38Å; L845-V849 WeakPolarHBondContact O-CG2 3.26Å; L845-V849 PolarHBondContact O-N 2.88Å; A846-V849 PolarHBondContact O-N 2.84Å; V847-V849 PolarHBondContact O-N 3.01Å; V849-S852 WeakPolarHBondContact O-CB 3.36Å; V849-S852 PolarHBondContact O-N 2.92Å; V849-M853 WeakPolarHBondContact O-CB 3.31Å; V849-M853 PolarHBondContact O-N 2.94Å |
| 850 | F | 95 | Very high | 91.6 | Very high | 7 Ų | 7 | 47.3 Ų | 47.3 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.6 | -40.8 | 177.3 | -175.2 | -91.1 | 0 | 0 | 0 | 113.1 | P602 I834 A846 V847 K848 M853 N854 P860 Y865 Y868 | P602-F850 HydrophobicContact CB-CD1 4.5Å; P602-F850 HydrophobicContact CB-CE1 3.71Å; P602-F850 HydrophobicContact CB-CZ 3.95Å; P602-F850 HydrophobicContact CG-CE1 3.81Å; P602-F850 HydrophobicContact CG-CZ 4.34Å; I834-F850 HydrophobicContact CD1-CB 4.41Å; I834-F850 HydrophobicContact CD1-CD2 4.35Å; A846-F850 WeakPolarHBondContact O-CB 3.31Å; A846-F850 PolarHBondContact O-N 3.32Å; V847-F850 PolarHBondContact O-N 3.01Å; K848-F850 VanDerWaalsContact C-N 3.35Å; F850-M853 WeakPolarHBondContact O-CB 3.45Å; F850-M853 PolarHBondContact O-N 3.06Å; F850-N854 WeakPolarHBondContact CD1-ND2 3.47Å; F850-N854 WeakPolarHBondContact CE1-ND2 3.32Å; F850-N854 PolarHBondContact O-N 3.19Å; F850-N854 PolarHBondContact O-ND2 3.23Å; F850-P860 HydrophobicContact CE2-CB 4Å; F850-P860 HydrophobicContact CE2-CG 3.68Å; F850-P860 HydrophobicContact CZ-CG 3.84Å; F850-Y865 HydrophobicContact CE2-CD2 4.08Å; F850-Y865 HydrophobicContact CE2-CE2 4.48Å; F850-Y865 AromaticContact CZ-CD2 3.99Å; F850-Y865 HydrophobicContact CZ-CD2 3.99Å; F850-Y865 AromaticContact CZ-CE2 3.98Å; F850-Y865 HydrophobicContact CZ-CE2 3.98Å; F850-Y868 HydrophobicContact CB-CD2 3.5Å; F850-Y868 HydrophobicContact CB-CE2 3.29Å; F850-Y868 HydrophobicContact CB-CG 4.36Å; F850-Y868 HydrophobicContact CD1-CE1 4.37Å; F850-Y868 HydrophobicContact CD1-CE2 4.12Å; F850-Y868 AromaticContact CD2-CD1 3.89Å; F850-Y868 HydrophobicContact CD2-CD1 3.89Å; F850-Y868 AromaticContact CD2-CD2 3.48Å; F850-Y868 HydrophobicContact CD2-CD2 3.48Å; F850-Y868 VanDerWaalsContact CD2-CD2 3.48Å; F850-Y868 HydrophobicContact CD2-CE1 4.31Å; F850-Y868 AromaticContact CD2-CE2 3.89Å; F850-Y868 HydrophobicContact CD2-CE2 3.89Å; F850-Y868 AromaticContact CD2-CG 3.45Å; F850-Y868 HydrophobicContact CD2-CG 3.45Å; F850-Y868 VanDerWaalsContact CD2-CG 3.45Å; F850-Y868 AromaticContact CE2-CD1 3.93Å; F850-Y868 HydrophobicContact CE2-CD1 3.93Å; F850-Y868 HydrophobicContact CE2-CD2 4.33Å; F850-Y868 HydrophobicContact CE2-CE1 4.43Å; F850-Y868 AromaticContact CE2-CG 3.87Å; F850-Y868 HydrophobicContact CE2-CG 3.87Å; F850-Y868 HydrophobicContact CG-CD1 4.3Å; F850-Y868 AromaticContact CG-CD2 3.6Å; F850-Y868 HydrophobicContact CG-CD2 3.6Å; F850-Y868 HydrophobicContact CG-CE1 4.27Å; F850-Y868 AromaticContact CG-CE2 3.5Å; F850-Y868 HydrophobicContact CG-CE2 3.5Å; F850-Y868 AromaticContact CG-CG 3.98Å; F850-Y868 HydrophobicContact CG-CG 3.98Å; F850-Y868 AromaticContact CG-CZ 3.85Å; F850-Y868 HydrophobicContact CZ-CD1 4.39Å |
| 851 | V | 93.9 | Very high | 91.6 | Very high | 54 Ų | 54 | 45.5 Ų | 45.5 | 33% | 0.327 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.2 | -44.5 | 173.6 | 170.3 | 0 | 0 | 0 | 0 | 110.5 | V847 K848 M853 N854 Q855 | V847-V851 HydrophobicContact CG1-CG2 4.45Å; V847-V851 WeakPolarHBondContact O-CG2 3.39Å; V847-V851 PolarHBondContact O-N 3.3Å; K848-V851 PolarHBondContact O-N 3.3Å; V851-M853 VanDerWaalsContact C-N 3.34Å; V851-M853 PolarHBondContact O-N 2.99Å; V851-N854 PolarHBondContact O-N 3.11Å; V851-Q855 HydrophobicContact CG1-CG 4.37Å; V851-Q855 WeakPolarHBondContact O-CG 3.37Å; V851-Q855 PolarHBondContact O-N 3Å |
| 852 | S | 92.9 | Very high | 91.7 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 3% | 0.028 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.2 | -43 | 177.8 | -157.7 | 0 | 0 | 0 | 0 | 112.1 | K815 E818 K848 V849 N854 Q855 H856 | K815-S852 PolarHBondContact NZ-OG 2.85Å; E818-S852 WeakPolarHBondContact OE1-CB 3.25Å; E818-S852 PolarHBondContact OE1-OG 3.28Å; E818-S852 PolarHBondContact OE2-OG 2.83Å; E818-S852 VanDerWaalsContact OE2-OG 3.08Å; K848-S852 VanDerWaalsContact O-CB 3.32Å; K848-S852 WeakPolarHBondContact O-CB 3.43Å; K848-S852 PolarHBondContact O-N 2.88Å; V849-S852 WeakPolarHBondContact O-CB 3.36Å; V849-S852 PolarHBondContact O-N 2.92Å; S852-N854 PolarHBondContact O-N 3.29Å; S852-Q855 PolarHBondContact O-N 3.43Å; S852-H856 PolarHBondContact O-N 3.36Å; S852-H856 VanDerWaalsContact O-N 3.15Å; S852-H856 PolarHBondContact O-ND1 3.39Å |
| 853 | M | 93.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -54.2 | -50.9 | 175.5 | -176.2 | -173.9 | 171.1 | 0 | 0 | 111.4 | E827 Y830 V849 F850 V851 H856 V858 P860 T864 | E827-M853 HydrophobicContact CG-CE 3.78Å; Y830-M853 HydrophobicContact CD1-CB 3.54Å; Y830-M853 HydrophobicContact CD1-CG 3.85Å; Y830-M853 HydrophobicContact CD2-CG 4.07Å; Y830-M853 HydrophobicContact CE1-CB 3.79Å; Y830-M853 HydrophobicContact CE1-CG 4.28Å; Y830-M853 HydrophobicContact CE2-CG 4.47Å; Y830-M853 HydrophobicContact CG-CB 3.97Å; Y830-M853 HydrophobicContact CG-CG 3.73Å; Y830-M853 HydrophobicContact CG-SD 4.16Å; V849-M853 WeakPolarHBondContact O-CB 3.31Å; V849-M853 PolarHBondContact O-N 2.94Å; F850-M853 WeakPolarHBondContact O-CB 3.45Å; F850-M853 PolarHBondContact O-N 3.06Å; V851-M853 VanDerWaalsContact C-N 3.34Å; V851-M853 PolarHBondContact O-N 2.99Å; M853-H856 PolarHBondContact O-N 2.99Å; M853-V858 CarbonylContact C-O 3.59Å; M853-V858 HydrophobicContact CE-CB 4.2Å; M853-V858 HydrophobicContact CE-CG1 3.52Å; M853-V858 HydrophobicContact CG-CB 3.68Å; M853-V858 HydrophobicContact CG-CG1 3.93Å; M853-V858 WeakPolarHBondContact CG-O 3.33Å; M853-V858 WeakPolarHBondContact O-CB 3.24Å; M853-V858 PolarHBondContact O-N 2.82Å; M853-P860 HydrophobicContact CE-CB 3.76Å; M853-P860 HydrophobicContact SD-CB 4.23Å; M853-T864 HydrophobicContact CE-CG2 3.99Å; M853-T864 HydrophobicContact SD-CG2 4.15Å |
| 854 | N | 90.4 | Very high | 91.6 | Very high | 71 Ų | 71 | 38 Ų | 38 | 38% | 0.38 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.1 | -38.3 | 179 | -70 | -59.6 | 0 | 0 | 0 | 112.8 | F850 V851 S852 H856 G857 P860 | F850-N854 WeakPolarHBondContact CD1-ND2 3.47Å; F850-N854 WeakPolarHBondContact CE1-ND2 3.32Å; F850-N854 PolarHBondContact O-N 3.19Å; F850-N854 PolarHBondContact O-ND2 3.23Å; V851-N854 PolarHBondContact O-N 3.11Å; S852-N854 PolarHBondContact O-N 3.29Å; N854-H856 PolarHBondContact O-N 3.42Å; N854-G857 PolarHBondContact O-N 3.42Å; N854-P860 WeakPolarHBondContact OD1-CD 3.34Å |
| 855 | Q | 90.1 | Very high | 91.7 | Very high | 143 Ų | 143 | 35.5 Ų | 35.5 | 67% | 0.668 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -61.3 | -29.5 | 176.9 | -75.7 | 174.2 | -10.3 | 0 | 0 | 112.9 | V851 S852 G857 | V851-Q855 HydrophobicContact CG1-CG 4.37Å; V851-Q855 WeakPolarHBondContact O-CG 3.37Å; V851-Q855 PolarHBondContact O-N 3Å; S852-Q855 PolarHBondContact O-N 3.43Å; Q855-G857 VanDerWaalsContact C-N 3.31Å |
| 856 | H | 89.4 | Confident | 91.6 | Very high | 78 Ų | 78 | 34.7 Ų | 34.7 | 36% | 0.361 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 15.9 | 176.4 | -64.9 | 86.2 | 0 | 0 | 0 | 113.1 | E818 L825 S852 M853 N854 V858 | E818-H856 VanDerWaalsContact CD-CE1 3.45Å; E818-H856 IonicContact OE1-ND1 3.19Å; E818-H856 IonicContact OE2-CE1 3.98Å; E818-H856 PolarHBondContact OE2-CE1 2.96Å; L825-H856 HydrophobicContact CD1-CB 3.77Å; S852-H856 PolarHBondContact O-N 3.36Å; S852-H856 VanDerWaalsContact O-N 3.15Å; S852-H856 PolarHBondContact O-ND1 3.39Å; M853-H856 PolarHBondContact O-N 2.99Å; N854-H856 PolarHBondContact O-N 3.42Å; H856-V858 PolarHBondContact O-N 3.29Å |
| 857 | G | 86.8 | Confident | 91.4 | Very high | 68 Ų | 68 | 34.9 Ų | 34.9 | 70% | 0.701 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73 | 11 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | N854 Q855 R859 | N854-G857 PolarHBondContact O-N 3.42Å; Q855-G857 VanDerWaalsContact C-N 3.31Å; G857-R859 PolarHBondContact O-N 3.23Å |
| 858 | V | 88.7 | Confident | 91.4 | Very high | 14 Ų | 14 | 33.8 Ų | 33.8 | 9% | 0.085 | 18% | 0.18 | C | C | . | . | trans | -86.1 | 107.2 | 175 | -169.1 | 0 | 0 | 0 | 0 | 108.2 | L825 E827 Y830 M853 H856 | L825-V858 HydrophobicContact CB-CG2 3.5Å; L825-V858 HydrophobicContact CD1-CG2 4.11Å; L825-V858 HydrophobicContact CG-CG2 4.4Å; E827-V858 HydrophobicContact CB-CG1 4.14Å; Y830-V858 HydrophobicContact CD2-CG1 4.38Å; Y830-V858 HydrophobicContact CE2-CB 4.43Å; Y830-V858 HydrophobicContact CE2-CG2 3.92Å; M853-V858 CarbonylContact C-O 3.59Å; M853-V858 HydrophobicContact CE-CB 4.2Å; M853-V858 HydrophobicContact CE-CG1 3.52Å; M853-V858 HydrophobicContact CG-CB 3.68Å; M853-V858 HydrophobicContact CG-CG1 3.93Å; M853-V858 WeakPolarHBondContact CG-O 3.33Å; M853-V858 WeakPolarHBondContact O-CB 3.24Å; M853-V858 PolarHBondContact O-N 2.82Å; H856-V858 PolarHBondContact O-N 3.29Å | ||
| 859 | R | 86 | Confident | 91.4 | Very high | 85 Ų | 85 | 27.7 Ų | 27.7 | 32% | 0.321 | 15% | 0.154 | S | C | . | . | trans | -83.6 | 127.9 | 180 | 179.8 | 173.6 | 159.7 | -160.2 | -16.5 | 110.3 | H597 D667 G857 N861 | H597-R859 PolarHBondContact CD2-NE 3.28Å; H597-R859 VanDerWaalsContact CD2-NE 3.27Å; H597-R859 PolarHBondContact CD2-NH2 3.32Å; H597-R859 VanDerWaalsContact CE1-CZ 3.45Å; H597-R859 PolarHBondContact CE1-NH1 3.4Å; H597-R859 VanDerWaalsContact CE1-NH1 3.27Å; H597-R859 PolarHBondContact CE1-NH2 3.29Å; H597-R859 PolarHBondContact ND1-NH2 3.43Å; H597-R859 PolarHBondContact NE2-NH1 3.05Å; H597-R859 PolarHBondContact NE2-NH2 3.31Å; D667-R859 IonicContact OD1-NH2 3.22Å; G857-R859 PolarHBondContact O-N 3.23Å; R859-N861 PolarHBondContact O-N 2.85Å | ||
| 860 | P | 91.2 | Very high | 90.9 | Very high | 11 Ų | 11 | 32.3 Ų | 32.3 | 7% | 0.071 | 17% | 0.171 | C | C | . | . | trans | -74.3 | 121.6 | 179.1 | 29 | -34.5 | 0 | 0 | 0 | 111.9 | R651 F850 M853 N854 T864 Y865 | R651-P860 PolarHBondContact NH2-O 3.31Å; F850-P860 HydrophobicContact CE2-CB 4Å; F850-P860 HydrophobicContact CE2-CG 3.68Å; F850-P860 HydrophobicContact CZ-CG 3.84Å; M853-P860 HydrophobicContact CE-CB 3.76Å; M853-P860 HydrophobicContact SD-CB 4.23Å; N854-P860 WeakPolarHBondContact OD1-CD 3.34Å; P860-T864 HydrophobicContact CB-CG2 4.21Å; P860-Y865 HydrophobicContact CB-CD2 4.48Å; P860-Y865 HydrophobicContact CG-CD2 4.14Å | ||
| 861 | N | 89.9 | Confident | 90.7 | Very high | 18 Ų | 18 | 32.2 Ų | 32.2 | 10% | 0.096 | 17% | 0.171 | C | C | . | . | trans | -74 | 178.1 | 171.3 | 73.4 | 31.7 | 0 | 0 | 0 | 111.9 | A664 E759 E827 R859 V863 T864 Y865 | A664-N861 HydrophobicContact CB-CB 4.14Å; E759-N861 PolarHBondContact OE1-ND2 3.32Å; E827-N861 VanDerWaalsContact CD-ND2 3.35Å; E827-N861 PolarHBondContact OE1-N 3.05Å; E827-N861 PolarHBondContact OE1-ND2 2.85Å; E827-N861 PolarHBondContact OE1-OD1 3.25Å; E827-N861 PolarHBondContact OE2-ND2 3.17Å; R859-N861 PolarHBondContact O-N 2.85Å; N861-V863 VanDerWaalsContact C-N 3.27Å; N861-V863 PolarHBondContact O-N 3.03Å; N861-V863 WeakPolarHBondContact OD1-CB 3.35Å; N861-V863 PolarHBondContact OD1-N 2.93Å; N861-T864 PolarHBondContact O-N 3.38Å; N861-T864 PolarHBondContact OD1-N 3.48Å; N861-T864 VanDerWaalsContact OD1-N 3.08Å; N861-T864 PolarHBondContact OD1-OG1 3.14Å; N861-Y865 WeakPolarHBondContact O-CB 3.47Å; N861-Y865 PolarHBondContact O-N 3.37Å | ||
| 862 | A | 90.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.8 | -33.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115 | R651 N660 L663 A664 D667 G866 | R651-A862 VanDerWaalsContact CD-CB 3.44Å; N660-A862 PolarHBondContact ND2-O 2.98Å; N660-A862 WeakPolarHBondContact O-CB 3.44Å; L663-A862 HydrophobicContact CB-CB 3.46Å; L663-A862 VanDerWaalsContact CB-CB 3.46Å; A664-A862 HydrophobicContact CB-CB 4.24Å; D667-A862 PolarHBondContact OD2-N 3.34Å; A862-G866 PolarHBondContact O-N 2.85Å; A862-G866 VanDerWaalsContact O-N 3.17Å |
| 863 | V | 89.6 | Confident | 90.2 | Very high | 17 Ų | 17 | 31.3 Ų | 31.3 | 10% | 0.103 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -72.2 | -51.5 | 178.5 | -176.7 | 0 | 0 | 0 | 0 | 110 | N660 A664 T756 N861 Y865 G866 I867 | N660-V863 HydrophobicContact CB-CG2 3.93Å; A664-V863 HydrophobicContact CB-CG2 4.38Å; T756-V863 HydrophobicContact CG2-CG2 4.26Å; N861-V863 VanDerWaalsContact C-N 3.27Å; N861-V863 PolarHBondContact O-N 3.03Å; N861-V863 WeakPolarHBondContact OD1-CB 3.35Å; N861-V863 PolarHBondContact OD1-N 2.93Å; V863-Y865 PolarHBondContact O-N 3.37Å; V863-G866 PolarHBondContact O-N 3.36Å; V863-I867 HydrophobicContact CG1-CD1 3.98Å; V863-I867 WeakPolarHBondContact O-CG1 2.98Å; V863-I867 PolarHBondContact O-N 3.16Å |
| 864 | T | 92.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.3 | -40.4 | -177.8 | -54 | 0 | 0 | 0 | 0 | 111.9 | E827 R831 I834 M853 P860 N861 I867 Y868 | E827-T864 VanDerWaalsContact CD-OG1 3.26Å; E827-T864 HydrophobicContact CG-CG2 4.34Å; E827-T864 WeakPolarHBondContact CG-OG1 3.36Å; E827-T864 WeakPolarHBondContact OE1-CB 3.32Å; E827-T864 PolarHBondContact OE1-OG1 3.22Å; R831-T864 HydrophobicContact CB-CG2 3.93Å; R831-T864 WeakPolarHBondContact CD-OG1 3.27Å; R831-T864 HydrophobicContact CG-CG2 4.3Å; R831-T864 PolarHBondContact NH1-OG1 3.29Å; R831-T864 VanDerWaalsContact NH1-OG1 3.12Å; I834-T864 HydrophobicContact CD1-CG2 4.45Å; M853-T864 HydrophobicContact CE-CG2 3.99Å; M853-T864 HydrophobicContact SD-CG2 4.15Å; P860-T864 HydrophobicContact CB-CG2 4.21Å; N861-T864 PolarHBondContact O-N 3.38Å; N861-T864 PolarHBondContact OD1-N 3.48Å; N861-T864 VanDerWaalsContact OD1-N 3.08Å; N861-T864 PolarHBondContact OD1-OG1 3.14Å; T864-I867 PolarHBondContact O-N 2.9Å; T864-Y868 WeakPolarHBondContact O-CB 3.36Å; T864-Y868 PolarHBondContact O-N 2.99Å |
| 865 | Y | 93.7 | Very high | 89.6 | Confident | 8 Ų | 8 | 31.8 Ų | 31.8 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.3 | -41.3 | 177.3 | -166.4 | -90.5 | 0 | 0 | 0 | 111.9 | L600 R601 P602 R651 F850 P860 N861 V863 Y868 N869 | L600-Y865 HydrophobicContact CB-CE2 4.47Å; R601-Y865 PolarHBondContact O-OH 2.84Å; P602-Y865 VanDerWaalsContact CA-OH 3.27Å; P602-Y865 WeakPolarHBondContact CA-OH 3.25Å; P602-Y865 HydrophobicContact CB-CE2 4.12Å; P602-Y865 VanDerWaalsContact N-OH 3.12Å; R651-Y865 WeakPolarHBondContact O-CD1 3.32Å; F850-Y865 HydrophobicContact CE2-CD2 4.08Å; F850-Y865 HydrophobicContact CE2-CE2 4.48Å; F850-Y865 AromaticContact CZ-CD2 3.99Å; F850-Y865 HydrophobicContact CZ-CD2 3.99Å; F850-Y865 AromaticContact CZ-CE2 3.98Å; F850-Y865 HydrophobicContact CZ-CE2 3.98Å; P860-Y865 HydrophobicContact CB-CD2 4.48Å; P860-Y865 HydrophobicContact CG-CD2 4.14Å; N861-Y865 WeakPolarHBondContact O-CB 3.47Å; N861-Y865 PolarHBondContact O-N 3.37Å; V863-Y865 PolarHBondContact O-N 3.37Å; Y865-Y868 WeakPolarHBondContact O-CB 3.13Å; Y865-Y868 PolarHBondContact O-N 3.18Å; Y865-N869 WeakPolarHBondContact CE1-ND2 3.49Å; Y865-N869 PolarHBondContact O-N 3.06Å |
| 866 | G | 91.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.2 | -45.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A862 V863 Y868 R870 | A862-G866 PolarHBondContact O-N 2.85Å; A862-G866 VanDerWaalsContact O-N 3.17Å; V863-G866 PolarHBondContact O-N 3.36Å; G866-Y868 VanDerWaalsContact C-N 3.32Å; G866-Y868 PolarHBondContact O-N 2.99Å; G866-R870 VanDerWaalsContact O-CB 3.29Å; G866-R870 WeakPolarHBondContact O-CB 3.22Å; G866-R870 PolarHBondContact O-N 2.74Å |
| 867 | I | 90.5 | Very high | 89 | Confident | 4 Ų | 4 | 30.1 Ų | 30.1 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.7 | -41.3 | 175.1 | -72.2 | 166.1 | 0 | 0 | 0 | 111.2 | L654 A752 R831 I834 Q835 V863 T864 S871 | L654-I867 HydrophobicContact CD1-CG1 3.95Å; L654-I867 HydrophobicContact CD2-CG1 4.43Å; A752-I867 HydrophobicContact CB-CD1 4.24Å; R831-I867 HydrophobicContact CG-CD1 3.52Å; I834-I867 HydrophobicContact CG2-CG2 4.1Å; Q835-I867 HydrophobicContact CB-CG2 3.83Å; Q835-I867 HydrophobicContact CG-CG2 4.41Å; V863-I867 HydrophobicContact CG1-CD1 3.98Å; V863-I867 WeakPolarHBondContact O-CG1 2.98Å; V863-I867 PolarHBondContact O-N 3.16Å; T864-I867 PolarHBondContact O-N 2.9Å; I867-S871 VanDerWaalsContact O-CB 3.26Å; I867-S871 WeakPolarHBondContact O-CB 3.2Å; I867-S871 PolarHBondContact O-N 3.35Å; I867-S871 PolarHBondContact O-OG 3.13Å |
| 868 | Y | 94.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.2 | -56.8 | 177.1 | 167.6 | -97.9 | 0 | 0 | 0 | 112.5 | P602 I603 I834 F850 T864 Y865 G866 R870 S871 V872 | P602-Y868 HydrophobicContact CB-CD1 4.42Å; P602-Y868 HydrophobicContact CB-CE1 3.71Å; I603-Y868 WeakPolarHBondContact O-CE1 3.16Å; I603-Y868 PolarHBondContact O-OH 3.3Å; I834-Y868 HydrophobicContact CD1-CD2 4.42Å; I834-Y868 VanDerWaalsContact CG2-CA 3.46Å; I834-Y868 HydrophobicContact CG2-CD2 4.16Å; F850-Y868 HydrophobicContact CB-CD2 3.5Å; F850-Y868 HydrophobicContact CB-CE2 3.29Å; F850-Y868 HydrophobicContact CB-CG 4.36Å; F850-Y868 HydrophobicContact CD1-CE1 4.37Å; F850-Y868 HydrophobicContact CD1-CE2 4.12Å; F850-Y868 AromaticContact CD2-CD1 3.89Å; F850-Y868 HydrophobicContact CD2-CD1 3.89Å; F850-Y868 AromaticContact CD2-CD2 3.48Å; F850-Y868 HydrophobicContact CD2-CD2 3.48Å; F850-Y868 VanDerWaalsContact CD2-CD2 3.48Å; F850-Y868 HydrophobicContact CD2-CE1 4.31Å; F850-Y868 AromaticContact CD2-CE2 3.89Å; F850-Y868 HydrophobicContact CD2-CE2 3.89Å; F850-Y868 AromaticContact CD2-CG 3.45Å; F850-Y868 HydrophobicContact CD2-CG 3.45Å; F850-Y868 VanDerWaalsContact CD2-CG 3.45Å; F850-Y868 AromaticContact CE2-CD1 3.93Å; F850-Y868 HydrophobicContact CE2-CD1 3.93Å; F850-Y868 HydrophobicContact CE2-CD2 4.33Å; F850-Y868 HydrophobicContact CE2-CE1 4.43Å; F850-Y868 AromaticContact CE2-CG 3.87Å; F850-Y868 HydrophobicContact CE2-CG 3.87Å; F850-Y868 HydrophobicContact CG-CD1 4.3Å; F850-Y868 AromaticContact CG-CD2 3.6Å; F850-Y868 HydrophobicContact CG-CD2 3.6Å; F850-Y868 HydrophobicContact CG-CE1 4.27Å; F850-Y868 AromaticContact CG-CE2 3.5Å; F850-Y868 HydrophobicContact CG-CE2 3.5Å; F850-Y868 AromaticContact CG-CG 3.98Å; F850-Y868 HydrophobicContact CG-CG 3.98Å; F850-Y868 AromaticContact CG-CZ 3.85Å; F850-Y868 HydrophobicContact CZ-CD1 4.39Å; T864-Y868 WeakPolarHBondContact O-CB 3.36Å; T864-Y868 PolarHBondContact O-N 2.99Å; Y865-Y868 WeakPolarHBondContact O-CB 3.13Å; Y865-Y868 PolarHBondContact O-N 3.18Å; G866-Y868 VanDerWaalsContact C-N 3.32Å; G866-Y868 PolarHBondContact O-N 2.99Å; Y868-R870 VanDerWaalsContact C-N 3.26Å; Y868-R870 PolarHBondContact O-N 3.08Å; Y868-S871 WeakPolarHBondContact O-CB 3.39Å; Y868-S871 PolarHBondContact O-N 3.16Å; Y868-S871 VanDerWaalsContact O-N 3.11Å; Y868-V872 HydrophobicContact CD2-CG2 4.28Å; Y868-V872 HydrophobicContact CE1-CG2 4.42Å; Y868-V872 HydrophobicContact CE2-CG2 3.78Å; Y868-V872 PolarHBondContact O-N 3.39Å |
| 869 | N | 92.3 | Very high | 88 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.1 | -40 | -178.1 | -82.8 | -18.6 | 0 | 0 | 0 | 110.9 | I603 S652 F653 Y865 V872 L873 | I603-N869 PolarHBondContact N-OD1 3.41Å; S652-N869 VanDerWaalsContact O-CB 3.29Å; S652-N869 WeakPolarHBondContact O-CB 3.45Å; S652-N869 PolarHBondContact O-ND2 3.48Å; F653-N869 HydrophobicContact CD1-CB 3.89Å; F653-N869 HydrophobicContact CE1-CB 3.78Å; Y865-N869 WeakPolarHBondContact CE1-ND2 3.49Å; Y865-N869 PolarHBondContact O-N 3.06Å; N869-V872 PolarHBondContact O-N 3.02Å; N869-L873 VanDerWaalsContact O-CB 3.27Å; N869-L873 WeakPolarHBondContact O-CB 3.4Å; N869-L873 VanDerWaalsContact O-CG 3.26Å; N869-L873 WeakPolarHBondContact O-CG 3.26Å; N869-L873 PolarHBondContact O-N 3.38Å |
| 870 | R | 86.9 | Confident | 87 | Confident | 97 Ų | 97 | 30 Ų | 30 | 37% | 0.366 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61.9 | -45.3 | 174.7 | -169.7 | 74 | -173.4 | 176.4 | 15 | 112.2 | I747 G866 Y868 V872 L873 D874 | I747-R870 HydrophobicContact CD1-CG 3.75Å; I747-R870 HydrophobicContact CG1-CG 3.95Å; G866-R870 VanDerWaalsContact O-CB 3.29Å; G866-R870 WeakPolarHBondContact O-CB 3.22Å; G866-R870 PolarHBondContact O-N 2.74Å; Y868-R870 VanDerWaalsContact C-N 3.26Å; Y868-R870 PolarHBondContact O-N 3.08Å; R870-V872 PolarHBondContact O-N 3.37Å; R870-L873 PolarHBondContact O-N 3.06Å; R870-D874 VanDerWaalsContact CZ-CG 3.45Å; R870-D874 IonicContact CZ-OD1 2.86Å; R870-D874 IonicContact CZ-OD2 2.54Å; R870-D874 IonicContact NE-OD1 3.87Å; R870-D874 PolarHBondContact NE-OD1 2.87Å; R870-D874 VanDerWaalsContact NE-OD1 3.14Å; R870-D874 IonicContact NE-OD2 3.55Å; R870-D874 PolarHBondContact NE-OD2 3.33Å; R870-D874 IonicContact NH1-OD1 2.8Å; R870-D874 VanDerWaalsContact NH2-CG 3.3Å; R870-D874 IonicContact NH2-OD1 3.4Å; R870-D874 PolarHBondContact NH2-OD1 2.98Å; R870-D874 VanDerWaalsContact NH2-OD1 3.12Å; R870-D874 IonicContact NH2-OD2 3.34Å; R870-D874 PolarHBondContact NH2-OD2 2.93Å; R870-D874 WeakPolarHBondContact O-CB 3.3Å; R870-D874 PolarHBondContact O-N 2.91Å |
| 871 | S | 90.1 | Very high | 85.6 | Confident | 4 Ų | 4 | 35.1 Ų | 35.1 | 3% | 0.028 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.1 | -31 | 178.6 | -61.3 | 0 | 0 | 0 | 0 | 112.5 | I834 I867 Y868 A875 | I834-S871 PolarHBondContact O-OG 3.36Å; I867-S871 VanDerWaalsContact O-CB 3.26Å; I867-S871 WeakPolarHBondContact O-CB 3.2Å; I867-S871 PolarHBondContact O-N 3.35Å; I867-S871 PolarHBondContact O-OG 3.13Å; Y868-S871 WeakPolarHBondContact O-CB 3.39Å; Y868-S871 PolarHBondContact O-N 3.16Å; Y868-S871 VanDerWaalsContact O-N 3.11Å; S871-A875 WeakPolarHBondContact O-CB 3.29Å |
| 872 | V | 91.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -82.9 | -37.4 | 177.1 | 165.2 | 0 | 0 | 0 | 0 | 112.5 | I603 A846 V847 Y868 N869 R870 W877 | I603-V872 HydrophobicContact CB-CG1 4.14Å; I603-V872 HydrophobicContact CG2-CG1 3.72Å; A846-V872 HydrophobicContact CB-CG2 4.2Å; V847-V872 HydrophobicContact CG2-CG2 4.1Å; Y868-V872 HydrophobicContact CD2-CG2 4.28Å; Y868-V872 HydrophobicContact CE1-CG2 4.42Å; Y868-V872 HydrophobicContact CE2-CG2 3.78Å; Y868-V872 PolarHBondContact O-N 3.39Å; N869-V872 PolarHBondContact O-N 3.02Å; R870-V872 PolarHBondContact O-N 3.37Å; V872-W877 HydrophobicContact CG1-CZ2 3.61Å; V872-W877 PolarHBondContact O-NE1 2.98Å |
| 873 | L | 86.2 | Confident | 83.1 | Confident | 40 Ų | 40 | 44.2 Ų | 44.2 | 21% | 0.209 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -74.3 | -44.1 | -178.7 | -79.5 | -178.9 | 0 | 0 | 0 | 113.1 | I603 P607 T612 F653 N869 R870 | I603-L873 HydrophobicContact CD1-CD1 3.91Å; I603-L873 HydrophobicContact CD1-CD2 3.61Å; I603-L873 HydrophobicContact CD1-CG 3.7Å; P607-L873 HydrophobicContact CB-CD2 3.6Å; P607-L873 HydrophobicContact CG-CD2 4Å; T612-L873 HydrophobicContact CG2-CD1 4.35Å; F653-L873 HydrophobicContact CD1-CD1 3.95Å; F653-L873 HydrophobicContact CE1-CD1 3.26Å; F653-L873 HydrophobicContact CE1-CG 4.45Å; F653-L873 HydrophobicContact CZ-CD1 3.94Å; N869-L873 VanDerWaalsContact O-CB 3.27Å; N869-L873 WeakPolarHBondContact O-CB 3.4Å; N869-L873 VanDerWaalsContact O-CG 3.26Å; N869-L873 WeakPolarHBondContact O-CG 3.26Å; N869-L873 PolarHBondContact O-N 3.38Å; R870-L873 PolarHBondContact O-N 3.06Å |
| 874 | D | 83.6 | Confident | 82.2 | Confident | 73 Ų | 73 | 49.6 Ų | 49.6 | 39% | 0.39 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -80 | -28.1 | -173.9 | -77.4 | 9.4 | 0 | 0 | 0 | 112.8 | R870 | R870-D874 VanDerWaalsContact CZ-CG 3.45Å; R870-D874 IonicContact CZ-OD1 2.86Å; R870-D874 IonicContact CZ-OD2 2.54Å; R870-D874 IonicContact NE-OD1 3.87Å; R870-D874 PolarHBondContact NE-OD1 2.87Å; R870-D874 VanDerWaalsContact NE-OD1 3.14Å; R870-D874 IonicContact NE-OD2 3.55Å; R870-D874 PolarHBondContact NE-OD2 3.33Å; R870-D874 IonicContact NH1-OD1 2.8Å; R870-D874 VanDerWaalsContact NH2-CG 3.3Å; R870-D874 IonicContact NH2-OD1 3.4Å; R870-D874 PolarHBondContact NH2-OD1 2.98Å; R870-D874 VanDerWaalsContact NH2-OD1 3.12Å; R870-D874 IonicContact NH2-OD2 3.34Å; R870-D874 PolarHBondContact NH2-OD2 2.93Å; R870-D874 WeakPolarHBondContact O-CB 3.3Å; R870-D874 PolarHBondContact O-N 2.91Å |
| 875 | A | 85.9 | Confident | 81.1 | Confident | 7 Ų | 7 | 53.2 Ų | 53.2 | 6% | 0.058 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -75.6 | 147.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P843 S871 W877 | P843-A875 HydrophobicContact CB-CB 4.05Å; P843-A875 HydrophobicContact CG-CB 4.09Å; S871-A875 WeakPolarHBondContact O-CB 3.29Å; A875-W877 PolarHBondContact O-N 3.48Å |
| 876 | Q | 84.2 | Confident | 79.9 | Confident | 139 Ų | 139 | 58 Ų | 58 | 65% | 0.65 | 32% | 0.316 | S | S | * | . | P | Polyproline II helix | trans | -72.1 | 119.8 | 176.2 | -167.1 | 172.9 | 21.4 | 0 | 0 | 110.9 | ||
| 877 | W | 84 | Confident | 79 | Confident | 48 Ų | 48 | 65 Ų | 65 | 18% | 0.182 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -78.8 | 142.2 | 176.7 | -81.2 | 77.3 | 0 | 0 | 0 | 111.8 | K604 S605 A606 P843 V844 V847 V872 A875 G879 | K604-W877 WeakPolarHBondContact O-CH2 3.34Å; S605-W877 WeakPolarHBondContact O-CZ2 3.18Å; A606-W877 HydrophobicContact CB-CB 3.91Å; A606-W877 HydrophobicContact CB-CD2 3.74Å; A606-W877 HydrophobicContact CB-CE3 4.19Å; A606-W877 HydrophobicContact CB-CG 3.61Å; P843-W877 HydrophobicContact CB-CD2 4.11Å; P843-W877 HydrophobicContact CB-CG 4.49Å; P843-W877 HydrophobicContact CB-CZ2 4.01Å; P843-W877 HydrophobicContact CG-CD2 3.86Å; P843-W877 HydrophobicContact CG-CE3 4.38Å; P843-W877 HydrophobicContact CG-CG 3.94Å; V844-W877 HydrophobicContact CG2-CE3 4.25Å; V844-W877 HydrophobicContact CG2-CZ3 3.99Å; V847-W877 HydrophobicContact CG2-CH2 4.14Å; V872-W877 HydrophobicContact CG1-CZ2 3.61Å; V872-W877 PolarHBondContact O-NE1 2.98Å; A875-W877 PolarHBondContact O-N 3.48Å; W877-G879 PolarHBondContact O-N 3.34Å |
| 878 | P | 79.9 | Confident | 78.4 | Confident | 47 Ų | 47 | 69.9 Ų | 69.9 | 31% | 0.305 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 123.4 | 175.1 | -22.4 | 31.6 | 0 | 0 | 0 | 111.6 | V844 R883 | V844-P878 HydrophobicContact CG2-CG 4.16Å; P878-R883 PolarHBondContact O-NE 3.17Å; P878-R883 VanDerWaalsContact O-NE 3.13Å; P878-R883 PolarHBondContact O-NH2 3Å; P878-R883 VanDerWaalsContact O-NH2 3.09Å |
| 879 | G | 73.4 | Confident | 77.6 | Confident | 38 Ų | 38 | 77.8 Ų | 77.8 | 39% | 0.392 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 158.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | W877 T881 V882 | W877-G879 PolarHBondContact O-N 3.34Å; G879-T881 PolarHBondContact O-N 3Å; G879-T881 VanDerWaalsContact O-N 3.17Å; G879-V882 PolarHBondContact O-N 2.84Å |
| 880 | A | 65.6 | Low | 76.9 | Confident | 80 Ų | 80 | 80.3 Ų | 80.3 | 66% | 0.661 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -55.4 | -35.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V882 R883 | A880-V882 VanDerWaalsContact C-N 3.34Å; A880-V882 PolarHBondContact O-N 3.25Å; A880-R883 PolarHBondContact O-N 3.31Å |
| 881 | T | 63 | Low | 76.8 | Confident | 118 Ų | 118 | 82.5 Ų | 82.5 | 72% | 0.724 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.2 | -33.5 | 177.2 | 40.2 | 0 | 0 | 0 | 0 | 113.7 | G879 P885 | G879-T881 PolarHBondContact O-N 3Å; G879-T881 VanDerWaalsContact O-N 3.17Å; T881-P885 WeakPolarHBondContact O-CD 3.44Å |
| 882 | V | 64.9 | Low | 76.6 | Confident | 79 Ų | 79 | 85.7 Ų | 85.7 | 48% | 0.479 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -78.1 | -25.6 | 178.8 | -177.4 | 0 | 0 | 0 | 0 | 111.9 | G879 A880 P885 | G879-V882 PolarHBondContact O-N 2.84Å; A880-V882 VanDerWaalsContact C-N 3.34Å; A880-V882 PolarHBondContact O-N 3.25Å; V882-P885 WeakPolarHBondContact O-CD 3.42Å |
| 883 | R | 63.1 | Low | 76.4 | Confident | 129 Ų | 129 | 91.1 Ų | 91.1 | 49% | 0.487 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -72.9 | -33.8 | -176.6 | -61.9 | -177 | -156 | 173.8 | 5.6 | 113.4 | P878 A880 L886 R887 | P878-R883 PolarHBondContact O-NE 3.17Å; P878-R883 VanDerWaalsContact O-NE 3.13Å; P878-R883 PolarHBondContact O-NH2 3Å; P878-R883 VanDerWaalsContact O-NH2 3.09Å; A880-R883 PolarHBondContact O-N 3.31Å; R883-L886 PolarHBondContact O-N 3.47Å; R883-R887 PolarHBondContact O-N 3.17Å |
| 884 | Q | 69.2 | Low | 76.5 | Confident | 130 Ų | 130 | 93.6 Ų | 93.6 | 61% | 0.607 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.2 | -50.7 | -179 | -123.8 | -177.9 | -0.5 | 0 | 0 | 112.4 | L886 R887 H888 | Q884-L886 VanDerWaalsContact C-N 3.31Å; Q884-L886 PolarHBondContact O-N 2.95Å; Q884-R887 PolarHBondContact O-N 3.07Å; Q884-H888 PolarHBondContact O-N 3.34Å; Q884-H888 PolarHBondContact O-ND1 3.07Å |
| 885 | P | 68.9 | Low | 76.9 | Confident | 76 Ų | 76 | 94.3 Ų | 94.3 | 49% | 0.494 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57.7 | -41.2 | 173.7 | -25.2 | 34 | 0 | 0 | 0 | 112.6 | T881 V882 R887 H888 W889 | T881-P885 WeakPolarHBondContact O-CD 3.44Å; V882-P885 WeakPolarHBondContact O-CD 3.42Å; P885-R887 PolarHBondContact O-N 2.88Å; P885-H888 PolarHBondContact O-N 2.85Å; P885-W889 WeakPolarHBondContact O-CB 3.45Å; P885-W889 PolarHBondContact O-N 2.78Å |
| 886 | L | 70.1 | Confident | 77 | Confident | 110 Ų | 110 | 98.7 Ų | 98.7 | 58% | 0.576 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.5 | -42.1 | 177.3 | -119.8 | 84.4 | 0 | 0 | 0 | 112.5 | R883 Q884 W889 T890 | R883-L886 PolarHBondContact O-N 3.47Å; Q884-L886 VanDerWaalsContact C-N 3.31Å; Q884-L886 PolarHBondContact O-N 2.95Å; L886-W889 PolarHBondContact O-N 2.9Å; L886-T890 WeakPolarHBondContact O-CB 3.1Å; L886-T890 PolarHBondContact O-N 2.95Å; L886-T890 PolarHBondContact O-OG1 3.03Å |
| 887 | R | 72.2 | Confident | 76.9 | Confident | 146 Ų | 146 | 95.7 Ų | 95.7 | 55% | 0.551 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.3 | -44.2 | 175.1 | -79.9 | -177.2 | 171.8 | -175.5 | -4.7 | 111.4 | R883 Q884 P885 T890 K891 | R883-R887 PolarHBondContact O-N 3.17Å; Q884-R887 PolarHBondContact O-N 3.07Å; P885-R887 PolarHBondContact O-N 2.88Å; R887-T890 PolarHBondContact O-N 3.38Å; R887-K891 WeakPolarHBondContact O-CG 3.34Å; R887-K891 PolarHBondContact O-N 3.48Å; R887-K891 VanDerWaalsContact O-N 3.08Å |
| 888 | H | 78.1 | Confident | 77 | Confident | 106 Ų | 106 | 95.6 Ų | 95.6 | 49% | 0.491 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.2 | -43.8 | 176.2 | -65.4 | 146.4 | 0 | 0 | 0 | 111.9 | Q884 P885 T890 K891 V892 | Q884-H888 PolarHBondContact O-N 3.34Å; Q884-H888 PolarHBondContact O-ND1 3.07Å; P885-H888 PolarHBondContact O-N 2.85Å; H888-T890 VanDerWaalsContact C-N 3.32Å; H888-T890 PolarHBondContact O-N 3.13Å; H888-K891 WeakPolarHBondContact O-CB 3.25Å; H888-K891 PolarHBondContact O-N 3.41Å; H888-V892 WeakPolarHBondContact O-CG2 3.34Å; H888-V892 PolarHBondContact O-N 3.5Å |
| 889 | W | 76.2 | Confident | 77.4 | Confident | 167 Ų | 167 | 96.8 Ų | 96.8 | 63% | 0.633 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.9 | -39.8 | 176.1 | -175.5 | -115.7 | 0 | 0 | 0 | 112.4 | P885 L886 K891 V892 R893 | P885-W889 WeakPolarHBondContact O-CB 3.45Å; P885-W889 PolarHBondContact O-N 2.78Å; L886-W889 PolarHBondContact O-N 2.9Å; W889-K891 PolarHBondContact O-N 3.44Å; W889-V892 HydrophobicContact CZ3-CG1 4.41Å; W889-V892 PolarHBondContact O-N 3.05Å; W889-R893 WeakPolarHBondContact O-CB 3.23Å; W889-R893 PolarHBondContact O-N 3.4Å |
| 890 | T | 78 | Confident | 77.9 | Confident | 52 Ų | 52 | 97.5 Ų | 97.5 | 32% | 0.319 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 176.3 | -54 | 0 | 0 | 0 | 0 | 111.3 | L886 R887 H888 R893 N894 | L886-T890 WeakPolarHBondContact O-CB 3.1Å; L886-T890 PolarHBondContact O-N 2.95Å; L886-T890 PolarHBondContact O-OG1 3.03Å; R887-T890 PolarHBondContact O-N 3.38Å; H888-T890 VanDerWaalsContact C-N 3.32Å; H888-T890 PolarHBondContact O-N 3.13Å; T890-R893 PolarHBondContact O-N 3.22Å; T890-N894 WeakPolarHBondContact O-CB 3.37Å; T890-N894 PolarHBondContact O-N 3.13Å; T890-N894 PolarHBondContact O-OD1 3.14Å |
| 891 | K | 85.3 | Confident | 78.8 | Confident | 143 Ų | 143 | 97.3 Ų | 97.3 | 62% | 0.622 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.2 | -47.4 | 173.6 | -71.1 | 179.7 | 178.5 | -176.8 | 0 | 111.5 | R887 H888 W889 N894 V895 | R887-K891 WeakPolarHBondContact O-CG 3.34Å; R887-K891 PolarHBondContact O-N 3.48Å; R887-K891 VanDerWaalsContact O-N 3.08Å; H888-K891 WeakPolarHBondContact O-CB 3.25Å; H888-K891 PolarHBondContact O-N 3.41Å; W889-K891 PolarHBondContact O-N 3.44Å; K891-N894 PolarHBondContact O-N 2.6Å; K891-V895 WeakPolarHBondContact O-CG2 3.37Å; K891-V895 PolarHBondContact O-N 3.22Å; K891-V895 VanDerWaalsContact O-N 3.08Å |
| 892 | V | 85.9 | Confident | 79.9 | Confident | 71 Ų | 71 | 97.5 Ų | 97.5 | 43% | 0.43 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.4 | -46.6 | 177.5 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | H888 W889 N894 V895 I896 | H888-V892 WeakPolarHBondContact O-CG2 3.34Å; H888-V892 PolarHBondContact O-N 3.5Å; W889-V892 HydrophobicContact CZ3-CG1 4.41Å; W889-V892 PolarHBondContact O-N 3.05Å; V892-N894 VanDerWaalsContact C-N 3.33Å; V892-N894 PolarHBondContact O-N 2.87Å; V892-V895 WeakPolarHBondContact O-CB 3.25Å; V892-V895 PolarHBondContact O-N 3.21Å; V892-I896 HydrophobicContact CG1-CD1 3.95Å; V892-I896 WeakPolarHBondContact O-CG1 3.49Å; V892-I896 PolarHBondContact O-N 3.32Å |
| 893 | R | 86.1 | Confident | 80.8 | Confident | 115 Ų | 115 | 100 Ų | 100 | 43% | 0.434 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.1 | -45.8 | 176.4 | 178.8 | -176.7 | 171.2 | 175.7 | -1.8 | 111.4 | W889 T890 V895 I896 F897 | W889-R893 WeakPolarHBondContact O-CB 3.23Å; W889-R893 PolarHBondContact O-N 3.4Å; T890-R893 PolarHBondContact O-N 3.22Å; R893-V895 VanDerWaalsContact C-N 3.32Å; R893-V895 PolarHBondContact O-N 3.29Å; R893-I896 PolarHBondContact O-N 3.21Å; R893-F897 WeakPolarHBondContact O-CB 3.5Å; R893-F897 PolarHBondContact O-N 3.25Å |
| 894 | N | 89.8 | Confident | 81.3 | Confident | 92 Ų | 92 | 96.5 Ų | 96.5 | 49% | 0.492 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 179 | -71.9 | -8.9 | 0 | 0 | 0 | 111.5 | T890 K891 V892 F897 A898 | T890-N894 WeakPolarHBondContact O-CB 3.37Å; T890-N894 PolarHBondContact O-N 3.13Å; T890-N894 PolarHBondContact O-OD1 3.14Å; K891-N894 PolarHBondContact O-N 2.6Å; V892-N894 VanDerWaalsContact C-N 3.33Å; V892-N894 PolarHBondContact O-N 2.87Å; N894-F897 PolarHBondContact O-N 3.15Å; N894-A898 WeakPolarHBondContact O-CB 3.35Å; N894-A898 PolarHBondContact O-N 3.03Å |
| 895 | V | 90.5 | Very high | 81.9 | Confident | 87 Ų | 87 | 93.4 Ų | 93.4 | 53% | 0.527 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.2 | -46.3 | 173.9 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | K891 V892 R893 F897 A898 I899 | K891-V895 WeakPolarHBondContact O-CG2 3.37Å; K891-V895 PolarHBondContact O-N 3.22Å; K891-V895 VanDerWaalsContact O-N 3.08Å; V892-V895 WeakPolarHBondContact O-CB 3.25Å; V892-V895 PolarHBondContact O-N 3.21Å; R893-V895 VanDerWaalsContact C-N 3.32Å; R893-V895 PolarHBondContact O-N 3.29Å; V895-F897 VanDerWaalsContact C-N 3.33Å; V895-F897 PolarHBondContact O-N 3.4Å; V895-A898 PolarHBondContact O-N 3.41Å; V895-I899 HydrophobicContact CG1-CD1 3.85Å; V895-I899 HydrophobicContact CG1-CG1 4.5Å; V895-I899 VanDerWaalsContact O-CG1 3.25Å; V895-I899 WeakPolarHBondContact O-CG1 3.43Å; V895-I899 PolarHBondContact O-N 2.81Å |
| 896 | I | 88.6 | Confident | 82.3 | Confident | 99 Ų | 99 | 92.3 Ų | 92.3 | 51% | 0.508 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 177.3 | -66.7 | 169.4 | 0 | 0 | 0 | 111 | V892 R893 I899 A900 | V892-I896 HydrophobicContact CG1-CD1 3.95Å; V892-I896 WeakPolarHBondContact O-CG1 3.49Å; V892-I896 PolarHBondContact O-N 3.32Å; R893-I896 PolarHBondContact O-N 3.21Å; I896-I899 PolarHBondContact O-N 3.16Å; I896-A900 PolarHBondContact O-N 3.02Å |
| 897 | F | 81.4 | Confident | 82.6 | Confident | 77 Ų | 77 | 95.9 Ų | 95.9 | 34% | 0.338 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 178.7 | -131.8 | -94.8 | 0 | 0 | 0 | 111.6 | R893 N894 V895 I899 A900 I901 | R893-F897 WeakPolarHBondContact O-CB 3.5Å; R893-F897 PolarHBondContact O-N 3.25Å; N894-F897 PolarHBondContact O-N 3.15Å; V895-F897 VanDerWaalsContact C-N 3.33Å; V895-F897 PolarHBondContact O-N 3.4Å; F897-I899 VanDerWaalsContact C-N 3.33Å; F897-I899 PolarHBondContact O-N 2.96Å; F897-A900 PolarHBondContact O-N 3.23Å; F897-I901 HydrophobicContact CD1-CD1 3.97Å; F897-I901 HydrophobicContact CD1-CG1 4.48Å; F897-I901 HydrophobicContact CE1-CD1 4.5Å; F897-I901 WeakPolarHBondContact O-CG1 3.34Å; F897-I901 PolarHBondContact O-N 3Å |
| 898 | A | 86.1 | Confident | 82.6 | Confident | 45 Ų | 45 | 92.7 Ų | 92.7 | 37% | 0.372 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.4 | -42 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | N894 V895 I901 M902 | N894-A898 WeakPolarHBondContact O-CB 3.35Å; N894-A898 PolarHBondContact O-N 3.03Å; V895-A898 PolarHBondContact O-N 3.41Å; A898-I901 PolarHBondContact O-N 2.77Å; A898-M902 HydrophobicContact CB-CE 4.39Å; A898-M902 WeakPolarHBondContact O-CB 3.41Å; A898-M902 WeakPolarHBondContact O-CG 3.49Å; A898-M902 PolarHBondContact O-N 2.82Å |
| 899 | I | 89.4 | Confident | 82.4 | Confident | 72 Ų | 72 | 97 Ų | 97 | 37% | 0.369 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 174.3 | -68.2 | 165.2 | 0 | 0 | 0 | 111.1 | V895 I896 F897 M902 K903 | V895-I899 HydrophobicContact CG1-CD1 3.85Å; V895-I899 HydrophobicContact CG1-CG1 4.5Å; V895-I899 VanDerWaalsContact O-CG1 3.25Å; V895-I899 WeakPolarHBondContact O-CG1 3.43Å; V895-I899 PolarHBondContact O-N 2.81Å; I896-I899 PolarHBondContact O-N 3.16Å; F897-I899 VanDerWaalsContact C-N 3.33Å; F897-I899 PolarHBondContact O-N 2.96Å; I899-M902 HydrophobicContact CG1-CE 4.24Å; I899-M902 PolarHBondContact O-N 2.71Å; I899-K903 HydrophobicContact CG2-CD 4.23Å; I899-K903 HydrophobicContact CG2-CG 4.43Å; I899-K903 WeakPolarHBondContact O-CB 3.24Å; I899-K903 WeakPolarHBondContact O-CG 3.49Å; I899-K903 PolarHBondContact O-N 3.4Å |
| 900 | A | 83.6 | Confident | 82.3 | Confident | 53 Ų | 53 | 93 Ų | 93 | 44% | 0.438 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I896 F897 K903 S904 | I896-A900 PolarHBondContact O-N 3.02Å; F897-A900 PolarHBondContact O-N 3.23Å; A900-K903 PolarHBondContact O-N 2.89Å; A900-S904 PolarHBondContact O-N 3.02Å; A900-S904 PolarHBondContact O-OG 3.41Å |
| 901 | I | 84.2 | Confident | 81.7 | Confident | 77 Ų | 77 | 99.7 Ų | 99.7 | 40% | 0.395 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.4 | -40.4 | 175.2 | -66.6 | 169.8 | 0 | 0 | 0 | 111.1 | F897 A898 S904 S905 | F897-I901 HydrophobicContact CD1-CD1 3.97Å; F897-I901 HydrophobicContact CD1-CG1 4.48Å; F897-I901 HydrophobicContact CE1-CD1 4.5Å; F897-I901 WeakPolarHBondContact O-CG1 3.34Å; F897-I901 PolarHBondContact O-N 3Å; A898-I901 PolarHBondContact O-N 2.77Å; I901-S904 PolarHBondContact O-N 3.31Å; I901-S904 PolarHBondContact O-OG 3.15Å; I901-S905 VanDerWaalsContact O-CB 3.3Å; I901-S905 WeakPolarHBondContact O-CB 3.23Å; I901-S905 PolarHBondContact O-N 3.36Å; I901-S905 PolarHBondContact O-OG 3.22Å |
| 902 | M | 85.4 | Confident | 80.9 | Confident | 121 Ų | 121 | 98.2 Ų | 98.2 | 60% | 0.596 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.9 | -43.1 | 174.9 | -79.5 | -172.4 | -76.5 | 0 | 0 | 111.6 | A898 I899 S905 A906 | A898-M902 HydrophobicContact CB-CE 4.39Å; A898-M902 WeakPolarHBondContact O-CB 3.41Å; A898-M902 WeakPolarHBondContact O-CG 3.49Å; A898-M902 PolarHBondContact O-N 2.82Å; I899-M902 HydrophobicContact CG1-CE 4.24Å; I899-M902 PolarHBondContact O-N 2.71Å; M902-S905 PolarHBondContact O-N 3.47Å; M902-A906 VanDerWaalsContact O-CB 3.28Å; M902-A906 WeakPolarHBondContact O-CB 3.33Å; M902-A906 PolarHBondContact O-N 3.31Å |
| 903 | K | 85.8 | Confident | 79.8 | Confident | 132 Ų | 132 | 104.3 Ų | 104.3 | 57% | 0.574 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.5 | -40.9 | 176.4 | -77.2 | -176.7 | 177.3 | -178.1 | 0 | 112 | I899 A900 A906 R907 | I899-K903 HydrophobicContact CG2-CD 4.23Å; I899-K903 HydrophobicContact CG2-CG 4.43Å; I899-K903 WeakPolarHBondContact O-CB 3.24Å; I899-K903 WeakPolarHBondContact O-CG 3.49Å; I899-K903 PolarHBondContact O-N 3.4Å; A900-K903 PolarHBondContact O-N 2.89Å; K903-A906 PolarHBondContact O-N 3.05Å; K903-R907 VanDerWaalsContact O-CG 3.32Å; K903-R907 WeakPolarHBondContact O-CG 3.29Å; K903-R907 PolarHBondContact O-N 3.1Å |
| 904 | S | 73.2 | Confident | 78.6 | Confident | 56 Ų | 56 | 108.1 Ų | 108.1 | 39% | 0.392 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.9 | -41.9 | 176.6 | 70 | 0 | 0 | 0 | 0 | 111.4 | A900 I901 R907 Q908 | A900-S904 PolarHBondContact O-N 3.02Å; A900-S904 PolarHBondContact O-OG 3.41Å; I901-S904 PolarHBondContact O-N 3.31Å; I901-S904 PolarHBondContact O-OG 3.15Å; S904-R907 PolarHBondContact O-N 3.3Å; S904-Q908 PolarHBondContact O-N 3.48Å |
| 905 | S | 81.2 | Confident | 76.9 | Confident | 64 Ų | 64 | 106.3 Ų | 106.3 | 45% | 0.448 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.5 | -39.9 | 175.9 | -57.5 | 0 | 0 | 0 | 0 | 112.3 | I901 M902 Q908 R909 | I901-S905 VanDerWaalsContact O-CB 3.3Å; I901-S905 WeakPolarHBondContact O-CB 3.23Å; I901-S905 PolarHBondContact O-N 3.36Å; I901-S905 PolarHBondContact O-OG 3.22Å; M902-S905 PolarHBondContact O-N 3.47Å; S905-Q908 WeakPolarHBondContact O-CB 3.46Å; S905-Q908 PolarHBondContact O-N 3.02Å; S905-R909 PolarHBondContact O-N 3.18Å |
| 906 | A | 77.3 | Confident | 75 | Confident | 53 Ų | 53 | 107.7 Ų | 107.7 | 44% | 0.438 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.8 | -45 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | M902 K903 Q908 R909 T910 | M902-A906 VanDerWaalsContact O-CB 3.28Å; M902-A906 WeakPolarHBondContact O-CB 3.33Å; M902-A906 PolarHBondContact O-N 3.31Å; K903-A906 PolarHBondContact O-N 3.05Å; A906-Q908 VanDerWaalsContact C-N 3.31Å; A906-Q908 PolarHBondContact O-N 3.3Å; A906-R909 PolarHBondContact O-N 3.17Å; A906-T910 PolarHBondContact O-N 3.41Å; A906-T910 PolarHBondContact O-OG1 3.38Å |
| 907 | R | 76.7 | Confident | 73.5 | Confident | 185 Ų | 185 | 106.6 Ų | 106.6 | 70% | 0.698 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.9 | -38.8 | 174.1 | -72.8 | 174.2 | -177.5 | 175.4 | -0.1 | 112.1 | K903 S904 T910 R911 | K903-R907 VanDerWaalsContact O-CG 3.32Å; K903-R907 WeakPolarHBondContact O-CG 3.29Å; K903-R907 PolarHBondContact O-N 3.1Å; S904-R907 PolarHBondContact O-N 3.3Å; R907-T910 WeakPolarHBondContact CA-OG1 3.38Å; R907-T910 PolarHBondContact O-N 3.21Å; R907-T910 PolarHBondContact O-OG1 3.26Å; R907-R911 PolarHBondContact O-N 3.49Å; R907-R911 VanDerWaalsContact O-N 3.13Å |
| 908 | Q | 72.9 | Confident | 72.1 | Confident | 80 Ų | 80 | 110.6 Ų | 110.6 | 37% | 0.374 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.6 | -45 | 176.3 | -156.7 | 104.1 | -10.9 | 0 | 0 | 111 | S904 S905 A906 T910 R911 L912 | S904-Q908 PolarHBondContact O-N 3.48Å; S905-Q908 WeakPolarHBondContact O-CB 3.46Å; S905-Q908 PolarHBondContact O-N 3.02Å; A906-Q908 VanDerWaalsContact C-N 3.31Å; A906-Q908 PolarHBondContact O-N 3.3Å; Q908-T910 PolarHBondContact O-N 3Å; Q908-R911 PolarHBondContact O-N 2.6Å; Q908-L912 PolarHBondContact O-N 3.05Å; Q908-L912 VanDerWaalsContact O-N 3.09Å |
| 909 | R | 73.5 | Confident | 70.2 | Confident | 195 Ų | 195 | 116.4 Ų | 116.4 | 74% | 0.736 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.6 | -38.5 | 174.1 | -94.3 | -176.9 | 178 | 172.7 | 0.3 | 113.3 | S905 A906 R911 L912 R913 | S905-R909 PolarHBondContact O-N 3.18Å; A906-R909 PolarHBondContact O-N 3.17Å; R909-R911 VanDerWaalsContact C-N 3.32Å; R909-L912 PolarHBondContact O-N 3.3Å; R909-R913 PolarHBondContact O-N 2.93Å |
| 910 | T | 72.6 | Confident | 67.9 | Low | 83 Ų | 83 | 117.9 Ų | 117.9 | 51% | 0.509 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.5 | -36.4 | 177.6 | 0.8 | 0 | 0 | 0 | 0 | 111.7 | A906 R907 Q908 R914 | A906-T910 PolarHBondContact O-N 3.41Å; A906-T910 PolarHBondContact O-OG1 3.38Å; R907-T910 WeakPolarHBondContact CA-OG1 3.38Å; R907-T910 PolarHBondContact O-N 3.21Å; R907-T910 PolarHBondContact O-OG1 3.26Å; Q908-T910 PolarHBondContact O-N 3Å; T910-R914 PolarHBondContact O-N 3.37Å; T910-R914 VanDerWaalsContact O-N 3.15Å |
| 911 | R | 66.7 | Low | 66 | Low | 194 Ų | 194 | 119.1 Ų | 119.1 | 73% | 0.732 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.4 | -44.2 | 172.2 | -82.9 | -175.1 | 171.1 | -177.8 | -3.9 | 112.2 | R907 Q908 R909 R914 A915 | R907-R911 PolarHBondContact O-N 3.49Å; R907-R911 VanDerWaalsContact O-N 3.13Å; Q908-R911 PolarHBondContact O-N 2.6Å; R909-R911 VanDerWaalsContact C-N 3.32Å; R911-R914 PolarHBondContact O-N 2.94Å; R911-A915 PolarHBondContact O-N 2.87Å |
| 912 | L | 67 | Low | 63.8 | Low | 112 Ų | 112 | 124.4 Ų | 124.4 | 59% | 0.586 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -63.9 | -44.3 | 177.5 | -72.1 | 167.6 | 0 | 0 | 0 | 112.2 | Q908 R909 R914 A915 D916 | Q908-L912 PolarHBondContact O-N 3.05Å; Q908-L912 VanDerWaalsContact O-N 3.09Å; R909-L912 PolarHBondContact O-N 3.3Å; L912-R914 VanDerWaalsContact C-N 3.31Å; L912-R914 PolarHBondContact O-N 3Å; L912-A915 WeakPolarHBondContact O-CB 3.11Å; L912-A915 PolarHBondContact O-N 3.09Å; L912-A915 VanDerWaalsContact O-N 3.1Å; L912-D916 PolarHBondContact O-N 3.19Å |
| 913 | R | 64.8 | Low | 61.2 | Low | 199 Ų | 199 | 124.5 Ų | 124.5 | 75% | 0.751 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -61.2 | -37.2 | 176.3 | -84.1 | -171.5 | 170.9 | -178 | -3.4 | 113.4 | R909 A915 D916 S917 | R909-R913 PolarHBondContact O-N 2.93Å; R913-A915 VanDerWaalsContact C-N 3.31Å; R913-D916 PolarHBondContact O-N 2.98Å; R913-S917 PolarHBondContact O-N 2.93Å; R913-S917 VanDerWaalsContact O-N 3.14Å; R913-S917 PolarHBondContact O-OG 3.09Å |
| 914 | R | 59.5 | Low | 58.6 | Low | 194 Ų | 194 | 122.8 Ų | 122.8 | 73% | 0.732 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -65.3 | -35.4 | 175.2 | -83 | -174.8 | 175.4 | 167.4 | -1.2 | 112.2 | T910 R911 L912 S917 | T910-R914 PolarHBondContact O-N 3.37Å; T910-R914 VanDerWaalsContact O-N 3.15Å; R911-R914 PolarHBondContact O-N 2.94Å; L912-R914 VanDerWaalsContact C-N 3.31Å; L912-R914 PolarHBondContact O-N 3Å; R914-S917 WeakPolarHBondContact CA-OG 3.46Å; R914-S917 PolarHBondContact O-OG 3.19Å |
| 915 | A | 54.8 | Low | 56.7 | Low | 54 Ų | 54 | 124.9 Ų | 124.9 | 45% | 0.446 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -68.3 | -42.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | R911 L912 R913 S917 Q918 | R911-A915 PolarHBondContact O-N 2.87Å; L912-A915 WeakPolarHBondContact O-CB 3.11Å; L912-A915 PolarHBondContact O-N 3.09Å; L912-A915 VanDerWaalsContact O-N 3.1Å; R913-A915 VanDerWaalsContact C-N 3.31Å; A915-S917 PolarHBondContact O-N 2.81Å; A915-Q918 PolarHBondContact O-N 2.89Å |
| 916 | D | 51.4 | Low | 54.1 | Low | 116 Ų | 116 | 128.6 Ų | 128.6 | 62% | 0.62 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -65.4 | -38.9 | 178.3 | -79.9 | -16 | 0 | 0 | 0 | 112.6 | L912 R913 Q918 Q919 | L912-D916 PolarHBondContact O-N 3.19Å; R913-D916 PolarHBondContact O-N 2.98Å; D916-Q918 PolarHBondContact O-N 3.09Å; D916-Q918 VanDerWaalsContact O-N 3.14Å; D916-Q919 PolarHBondContact O-N 3.3Å |
| 917 | S | 55.5 | Low | 51.7 | Low | 76 Ų | 76 | 135.7 Ų | 135.7 | 53% | 0.531 | 69% | 0.692 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.4 | -11.5 | 179.7 | 46.1 | 0 | 0 | 0 | 0 | 114.6 | R913 R914 A915 | R913-S917 PolarHBondContact O-N 2.93Å; R913-S917 VanDerWaalsContact O-N 3.14Å; R913-S917 PolarHBondContact O-OG 3.09Å; R914-S917 WeakPolarHBondContact CA-OG 3.46Å; R914-S917 PolarHBondContact O-OG 3.19Å; A915-S917 PolarHBondContact O-N 2.81Å |
| 918 | Q | 51.9 | Low | 49.3 | Very low | 161 Ų | 161 | 134.6 Ų | 134.6 | 75% | 0.752 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -13 | 177.6 | -74.1 | -177.9 | -33.8 | 0 | 0 | 113.5 | A915 D916 | A915-Q918 PolarHBondContact O-N 2.89Å; D916-Q918 PolarHBondContact O-N 3.09Å; D916-Q918 VanDerWaalsContact O-N 3.14Å |
| 919 | Q | 46 | Very low | 47.1 | Very low | 167 Ų | 167 | 136.1 Ų | 136.1 | 78% | 0.78 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -13.5 | 180 | -77.5 | -174.5 | -15.1 | 0 | 0 | 114.5 | D916 | D916-Q919 PolarHBondContact O-N 3.3Š|
| 920 | S | 43 | Very low | 44.9 | Very low | 103 Ų | 103 | 136.2 Ų | 136.2 | 72% | 0.72 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -88.7 | 6.1 | -178 | 51.8 | 0 | 0 | 0 | 0 | 115.3 | ||
| 921 | A | 43.7 | Very low | 42.7 | Very low | 80 Ų | 80 | 135.9 Ų | 135.9 | 66% | 0.661 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -111.9 | -3.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 922 | E | 36.8 | Very low | 40.7 | Very low | 187 Ų | 187 | 133 Ų | 133 | 87% | 0.874 | 75% | 0.749 | S | S | * | * | trans | -129.2 | 86.1 | -178.7 | -74.8 | 177.8 | 169.8 | 0 | 0 | 110.8 | ||||
| 923 | S | 31.7 | Very low | 38.9 | Very low | 123 Ų | 123 | 131.4 Ų | 131.4 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | trans | -120.7 | 70.9 | 168.4 | 46 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 924 | A | 31.3 | Very low | 37 | Very low | 96 Ų | 96 | 125.7 Ų | 125.7 | 79% | 0.793 | 76% | 0.764 | S | S | * | * | trans | -159.2 | 128.9 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 925 | A | 32.2 | Very low | 35.4 | Very low | 100 Ų | 100 | 122.1 Ų | 122.1 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | trans | 86.6 | 75.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 926 | D | 26.9 | Very low | 34 | Very low | 143 Ų | 143 | 128.5 Ų | 128.5 | 77% | 0.765 | 79% | 0.789 | S | S | * | * | 43.9 | 119.7 | 113.6 | -86 | 1.1 | 0 | 0 | 0 | 122.4 | |||||
| 927 | Y | 27 | Very low | 32.7 | Very low | 201 Ų | 201 | 127.3 Ų | 127.3 | 79% | 0.788 | 79% | 0.789 | S | S | * | * | trans | 69.7 | 93.3 | 144.6 | -72.8 | -80.5 | 0 | 0 | 0 | 121 | ||||
| 928 | I | 26.5 | Very low | 31.2 | Very low | 162 Ų | 162 | 129.9 Ų | 129.9 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | 174.2 | 129.7 | 98.4 | -84.1 | 163 | 0 | 0 | 0 | 109.3 | |||||
| 929 | S | 27.2 | Very low | 29.9 | Very low | 112 Ų | 112 | 128.7 Ų | 128.7 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | -74.5 | 123.4 | -173.8 | 175.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 930 | Q | 26.6 | Very low | 28.8 | Very low | 198 Ų | 198 | 128.3 Ų | 128.3 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | trans | -154.4 | 113.7 | 145.5 | -69 | -149.4 | 9.7 | 0 | 0 | 106.3 | ||||
| 931 | G | 26.7 | Very low | 27.9 | Very low | 76 Ų | 76 | 128.2 Ų | 128.2 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | 117.3 | 67.2 | 66.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 932 | S | 25.5 | Very low | 27 | Very low | 132 Ų | 132 | 130.9 Ų | 130.9 | 92% | 0.923 | 79% | 0.792 | S | S | * | * | trans | -73.5 | 127.4 | -177.9 | -60 | 0 | 0 | 0 | 0 | 113 | ||||
| 933 | G | 27.4 | Very low | 26.3 | Very low | 79 Ų | 79 | 126 Ų | 126 | 81% | 0.814 | 78% | 0.779 | S | S | * | * | trans | -124.7 | 96.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 934 | G | 25.8 | Very low | 25.9 | Very low | 80 Ų | 80 | 125 Ų | 125 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | trans | -84.1 | 120.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 935 | S | 26.1 | Very low | 25.6 | Very low | 119 Ų | 119 | 123.5 Ų | 123.5 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | trans | -91.8 | 111.9 | 169.7 | -81.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 936 | Q | 25.4 | Very low | 25.2 | Very low | 188 Ų | 188 | 125.5 Ų | 125.5 | 88% | 0.879 | 75% | 0.75 | S | S | * | * | trans | -85.3 | 109.3 | 169.3 | -70.5 | -172.8 | 0.5 | 0 | 0 | 110 | V938 | Q936-V938 PolarHBondContact O-N 3.48Å; Q936-V938 VanDerWaalsContact O-N 3.16Å | ||
| 937 | S | 24.5 | Very low | 25.1 | Very low | 90 Ų | 90 | 124.8 Ų | 124.8 | 63% | 0.629 | 75% | 0.745 | S | S | * | * | trans | -70.1 | 105.2 | 170.3 | 72.1 | 0 | 0 | 0 | 0 | 109.9 | K939 | S937-K939 PolarHBondContact O-N 2.95Å; S937-K939 VanDerWaalsContact O-N 3.1Å | ||
| 938 | V | 23.4 | Very low | 25 | Very low | 131 Ų | 131 | 119.2 Ų | 119.2 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | trans | -71.2 | 101.6 | 168 | 179.5 | 0 | 0 | 0 | 0 | 107.8 | Q936 M940 | Q936-V938 PolarHBondContact O-N 3.48Å; Q936-V938 VanDerWaalsContact O-N 3.16Å; V938-M940 PolarHBondContact O-N 2.96Å | ||
| 939 | K | 25.2 | Very low | 24.9 | Very low | 136 Ų | 136 | 118.7 Ų | 118.7 | 59% | 0.591 | 74% | 0.735 | S | S | * | * | trans | -67.1 | 100.8 | 167.7 | -76.6 | 178.2 | 178.5 | 168.2 | 0 | 108 | S937 V941 | S937-K939 PolarHBondContact O-N 2.95Å; S937-K939 VanDerWaalsContact O-N 3.1Å; K939-V941 PolarHBondContact O-N 3.23Å; K939-V941 VanDerWaalsContact O-N 3.12Å | ||
| 940 | M | 22 | Very low | 24.8 | Very low | 158 Ų | 158 | 121.8 Ų | 121.8 | 78% | 0.778 | 74% | 0.737 | S | S | * | * | trans | -59.9 | 115.1 | 167 | -91.2 | -157.4 | 174.3 | 0 | 0 | 109.1 | V938 | V938-M940 PolarHBondContact O-N 2.96Š| ||
| 941 | V | 23.5 | Very low | 24.8 | Very low | 101 Ų | 101 | 119 Ų | 119 | 61% | 0.612 | 73% | 0.728 | S | S | * | * | trans | -68.1 | 128.1 | 172.3 | 177.9 | 0 | 0 | 0 | 0 | 107.5 | K939 S943 | K939-V941 PolarHBondContact O-N 3.23Å; K939-V941 VanDerWaalsContact O-N 3.12Å; V941-S943 PolarHBondContact O-N 3.48Å | ||
| 942 | N | 24.6 | Very low | 24.8 | Very low | 136 Ų | 136 | 120.2 Ų | 120.2 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | trans | -40.2 | 98.1 | 173.6 | -80.3 | -15.5 | 0 | 0 | 0 | 111.6 | C944 | N942-C944 PolarHBondContact O-N 2.69Š| ||
| 943 | S | 22.2 | Very low | 24.8 | Very low | 85 Ų | 85 | 117.8 Ų | 117.8 | 59% | 0.594 | 71% | 0.708 | S | S | * | * | trans | -78.2 | 67.3 | 171.8 | 53.2 | 0 | 0 | 0 | 0 | 109.1 | V941 | V941-S943 PolarHBondContact O-N 3.48Š| ||
| 944 | C | 24.7 | Very low | 24.5 | Very low | 103 Ų | 103 | 121.1 Ų | 121.1 | 70% | 0.696 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -129.7 | 46.8 | 166.3 | -115.3 | 0 | 0 | 0 | 0 | 109.1 | N942 | N942-C944 PolarHBondContact O-N 2.69Š|
| 945 | S | 25.1 | Very low | 24.6 | Very low | 63 Ų | 63 | 122.3 Ų | 122.3 | 44% | 0.441 | 70% | 0.697 | S | S | . | * | trans | 173.6 | 81.5 | 165.5 | 46.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 946 | I | 23.1 | Very low | 24.6 | Very low | 142 Ų | 142 | 123.1 Ų | 123.1 | 73% | 0.728 | 70% | 0.697 | S | S | * | * | trans | -115.5 | 118.6 | 164.5 | -75.1 | 179.5 | 0 | 0 | 0 | 105.8 | ||||
| 947 | L | 24.2 | Very low | 24.5 | Very low | 129 Ų | 129 | 121.1 Ų | 121.1 | 68% | 0.675 | 69% | 0.693 | S | S | * | * | trans | 79.4 | 87.9 | 168.1 | -49 | 176.8 | 0 | 0 | 0 | 118.3 | E949 | L947-E949 HydrophobicContact CB-CG 4.22Å; L947-E949 HydrophobicContact CD1-CG 4.42Å; L947-E949 HydrophobicContact CD2-CG 4.38Å; L947-E949 PolarHBondContact O-N 2.96Å | ||
| 948 | A | 25.5 | Very low | 24.8 | Very low | 84 Ų | 84 | 126.1 Ų | 126.1 | 69% | 0.694 | 70% | 0.703 | S | S | * | * | -78.2 | 86.1 | 129.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | |||||
| 949 | E | 24.2 | Very low | 24.9 | Very low | 151 Ų | 151 | 128.8 Ų | 128.8 | 71% | 0.706 | 71% | 0.707 | S | S | * | * | trans | -68.2 | 139.9 | 160.8 | -90.3 | 179.5 | 171.5 | 0 | 0 | 108.3 | L947 D951 | L947-E949 HydrophobicContact CB-CG 4.22Å; L947-E949 HydrophobicContact CD1-CG 4.42Å; L947-E949 HydrophobicContact CD2-CG 4.38Å; L947-E949 PolarHBondContact O-N 2.96Å; E949-D951 PolarHBondContact O-N 3.25Å; E949-D951 VanDerWaalsContact O-N 3.15Å | ||
| 950 | E | 25.7 | Very low | 24.9 | Very low | 176 Ų | 176 | 127.2 Ų | 127.2 | 82% | 0.822 | 71% | 0.713 | S | S | * | * | trans | -63.8 | 111.6 | -171.7 | -65.9 | -179.4 | 142.2 | 0 | 0 | 110.5 | V952 | E950-V952 HydrophobicContact CB-CG2 4.26Å; E950-V952 PolarHBondContact O-N 3.47Å | ||
| 951 | D | 26.3 | Very low | 25.1 | Very low | 140 Ų | 140 | 124.9 Ų | 124.9 | 75% | 0.749 | 71% | 0.712 | S | S | * | * | trans | -63.9 | 82.2 | 158.1 | -76.6 | -36.8 | 0 | 0 | 0 | 108.1 | E949 A953 | E949-D951 PolarHBondContact O-N 3.25Å; E949-D951 VanDerWaalsContact O-N 3.15Å; D951-A953 PolarHBondContact O-N 3.01Å | ||
| 952 | V | 26.6 | Very low | 25.2 | Very low | 102 Ų | 102 | 125.9 Ų | 125.9 | 62% | 0.618 | 72% | 0.723 | S | S | * | * | trans | -69 | 83.3 | 160.9 | -176.7 | 0 | 0 | 0 | 0 | 106.2 | E950 M954 | E950-V952 HydrophobicContact CB-CG2 4.26Å; E950-V952 PolarHBondContact O-N 3.47Å; V952-M954 HydrophobicContact CG1-CG 4.3Å; V952-M954 HydrophobicContact CG1-SD 4.19Å; V952-M954 PolarHBondContact O-N 2.85Å | ||
| 953 | A | 25.4 | Very low | 25.4 | Very low | 80 Ų | 80 | 123.3 Ų | 123.3 | 66% | 0.661 | 73% | 0.729 | S | S | * | * | trans | -64.6 | 91.1 | 162.8 | 0 | 0 | 0 | 0 | 0 | 107 | D951 P955 | D951-A953 PolarHBondContact O-N 3.01Å; A953-P955 WeakPolarHBondContact O-CD 3.32Å | ||
| 954 | M | 21.8 | Very low | 25.5 | Very low | 149 Ų | 149 | 126.4 Ų | 126.4 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | trans | -55.4 | 118.7 | 167.2 | -71.5 | -72.7 | -76.3 | 0 | 0 | 107.4 | V952 V956 | V952-M954 HydrophobicContact CG1-CG 4.3Å; V952-M954 HydrophobicContact CG1-SD 4.19Å; V952-M954 PolarHBondContact O-N 2.85Å; M954-V956 PolarHBondContact O-N 2.96Å | ||
| 955 | P | 26.2 | Very low | 25.6 | Very low | 105 Ų | 105 | 130.2 Ų | 130.2 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | trans | -66.6 | 120.7 | 172 | 10.9 | -1.1 | 0 | 0 | 0 | 107.1 | A953 D957 | A953-P955 WeakPolarHBondContact O-CD 3.32Å; P955-D957 PolarHBondContact O-N 2.86Å | ||
| 956 | V | 26.1 | Very low | 25.6 | Very low | 136 Ų | 136 | 130.3 Ų | 130.3 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | trans | -71.1 | 81.7 | 173.1 | -178.5 | 0 | 0 | 0 | 0 | 107.2 | M954 K958 | M954-V956 PolarHBondContact O-N 2.96Å; V956-K958 PolarHBondContact O-N 2.65Å | ||
| 957 | D | 25.2 | Very low | 25.7 | Very low | 147 Ų | 147 | 134.8 Ų | 134.8 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | trans | -71.6 | 117.2 | 163.3 | -88.4 | -31.2 | 0 | 0 | 0 | 107.9 | P955 Q959 | P955-D957 PolarHBondContact O-N 2.86Å; D957-Q959 PolarHBondContact O-N 2.88Å | ||
| 958 | K | 29.4 | Very low | 25.6 | Very low | 195 Ų | 195 | 136.5 Ų | 136.5 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | trans | -58.5 | 97.9 | 173.5 | -70.7 | 175.1 | 176.6 | 176.3 | 0 | 108.5 | V956 | V956-K958 PolarHBondContact O-N 2.65Š| ||
| 959 | Q | 25.6 | Very low | 25.6 | Very low | 187 Ų | 187 | 138.2 Ų | 138.2 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | -152.7 | 133.1 | 153.1 | -107.8 | 159.6 | 38.1 | 0 | 0 | 111 | D957 | D957-Q959 PolarHBondContact O-N 2.88Š| ||
| 960 | S | 24.9 | Very low | 25.7 | Very low | 103 Ų | 103 | 138.5 Ų | 138.5 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | trans | -51 | 140.7 | -175.1 | 44.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 961 | S | 27.4 | Very low | 25.7 | Very low | 108 Ų | 108 | 135 Ų | 135 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | 42.7 | 99.4 | 142.3 | 66.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 962 | S | 25.2 | Very low | 25.7 | Very low | 122 Ų | 122 | 132.6 Ų | 132.6 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | trans | -169.8 | 134 | 130.3 | 35.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 963 | G | 28 | Very low | 25.7 | Very low | 83 Ų | 83 | 134.3 Ų | 134.3 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | trans | -67.8 | 148.8 | -166.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 964 | D | 24.6 | Very low | 25.8 | Very low | 149 Ų | 149 | 137.9 Ų | 137.9 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -148.5 | 154.9 | 158.4 | -148.8 | -3.1 | 0 | 0 | 0 | 110.5 | ||||
| 965 | Q | 26.7 | Very low | 25.9 | Very low | 183 Ų | 183 | 139 Ų | 139 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | -82.2 | 121.2 | -135.2 | -63.9 | 167.6 | 14.3 | 0 | 0 | 114.2 | Y967 | Q965-Y967 PolarHBondContact O-N 2.92Š| ||
| 966 | G | 25.6 | Very low | 25.9 | Very low | 65 Ų | 65 | 142 Ų | 142 | 67% | 0.67 | 80% | 0.801 | S | S | * | * | trans | -77.2 | 116.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q968 | G966-Q968 PolarHBondContact O-N 3.37Å; G966-Q968 VanDerWaalsContact O-N 3.14Å | ||
| 967 | Y | 24.6 | Very low | 25.8 | Very low | 236 Ų | 236 | 140.7 Ų | 140.7 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | trans | 16 | 82.7 | 153.2 | -71.2 | -91 | 0 | 0 | 0 | 115.9 | Q965 S969 | Q965-Y967 PolarHBondContact O-N 2.92Å; Y967-S969 PolarHBondContact O-N 2.79Å | ||
| 968 | Q | 23.6 | Very low | 25.7 | Very low | 165 Ų | 165 | 138.3 Ų | 138.3 | 77% | 0.771 | 79% | 0.793 | S | S | * | * | trans | -81.5 | 101.3 | 157.3 | -78.9 | -175.6 | -7.7 | 0 | 0 | 108.4 | G966 Q970 | G966-Q968 PolarHBondContact O-N 3.37Å; G966-Q968 VanDerWaalsContact O-N 3.14Å; Q968-Q970 PolarHBondContact O-N 2.83Å | ||
| 969 | S | 25.4 | Very low | 25.6 | Very low | 120 Ų | 120 | 137.1 Ų | 137.1 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | -67.1 | 86.1 | 154 | 32.7 | 0 | 0 | 0 | 0 | 107.9 | Y967 S971 | Y967-S969 PolarHBondContact O-N 2.79Å; S969-S971 PolarHBondContact O-N 2.72Å | ||
| 970 | Q | 25.9 | Very low | 25.5 | Very low | 157 Ų | 157 | 136.9 Ų | 136.9 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -64.8 | 120.6 | 160.8 | -76 | -175.7 | -2 | 0 | 0 | 107.3 | Q968 A972 | Q968-Q970 PolarHBondContact O-N 2.83Å; Q970-A972 PolarHBondContact O-N 2.65Å | ||
| 971 | S | 25 | Very low | 25.6 | Very low | 104 Ų | 104 | 135.5 Ų | 135.5 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -46.3 | 103.1 | 160.1 | 44.9 | 0 | 0 | 0 | 0 | 108.8 | S969 D973 | S969-S971 PolarHBondContact O-N 2.72Å; S971-D973 PolarHBondContact O-N 3.12Å; S971-D973 VanDerWaalsContact O-N 3.11Å | ||
| 972 | A | 26.2 | Very low | 25.5 | Very low | 89 Ų | 89 | 139 Ų | 139 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | trans | -67.9 | 106.7 | 163.1 | 0 | 0 | 0 | 0 | 0 | 105.9 | Q970 D974 | Q970-A972 PolarHBondContact O-N 2.65Å; A972-D974 VanDerWaalsContact C-N 3.34Å; A972-D974 PolarHBondContact O-N 3.14Å | ||
| 973 | D | 26 | Very low | 25.5 | Very low | 137 Ų | 137 | 138.9 Ų | 138.9 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | trans | -53.9 | 101.5 | 163.9 | -75.5 | -43.1 | 0 | 0 | 0 | 107.8 | S971 Q975 | S971-D973 PolarHBondContact O-N 3.12Å; S971-D973 VanDerWaalsContact O-N 3.11Å; D973-Q975 PolarHBondContact O-N 2.96Å | ||
| 974 | D | 27.6 | Very low | 25.3 | Very low | 156 Ų | 156 | 143.9 Ų | 143.9 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | trans | -66 | 82.6 | 162.5 | -87.9 | -29.3 | 0 | 0 | 0 | 107.4 | A972 L976 | A972-D974 VanDerWaalsContact C-N 3.34Å; A972-D974 PolarHBondContact O-N 3.14Å; D974-L976 PolarHBondContact O-N 2.94Å | ||
| 975 | Q | 24.4 | Very low | 25.5 | Very low | 171 Ų | 171 | 141.5 Ų | 141.5 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | trans | -62.2 | 92.8 | 157.8 | -71.6 | -175.1 | 7.4 | 0 | 0 | 107.2 | D973 S977 | D973-Q975 PolarHBondContact O-N 2.96Å; Q975-S977 PolarHBondContact O-N 3.47Å | ||
| 976 | L | 25.6 | Very low | 25.5 | Very low | 169 Ų | 169 | 139.7 Ų | 139.7 | 89% | 0.885 | 79% | 0.791 | S | S | * | * | trans | -52.7 | 103.2 | 168.8 | -154.1 | 88.6 | 0 | 0 | 0 | 107.6 | D974 S978 | D974-L976 PolarHBondContact O-N 2.94Å; L976-S978 PolarHBondContact O-N 3.32Å | ||
| 977 | S | 24.5 | Very low | 25.5 | Very low | 109 Ų | 109 | 144.4 Ų | 144.4 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | -68.4 | 106.4 | -175.7 | 11.7 | 0 | 0 | 0 | 0 | 109 | Q975 L979 | Q975-S977 PolarHBondContact O-N 3.47Å; S977-L979 PolarHBondContact O-N 3.47Å | ||
| 978 | S | 24.3 | Very low | 25.6 | Very low | 97 Ų | 97 | 140 Ų | 140 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | trans | -52.9 | 108.2 | 163.8 | 53.3 | 0 | 0 | 0 | 0 | 110.4 | L976 | L976-S978 PolarHBondContact O-N 3.32Š| ||
| 979 | L | 25.9 | Very low | 25.6 | Very low | 169 Ų | 169 | 139.3 Ų | 139.3 | 89% | 0.885 | 80% | 0.795 | S | S | * | * | trans | -102.7 | 90.9 | 158.9 | -80.5 | 167.4 | 0 | 0 | 0 | 108.1 | S977 G981 | S977-L979 PolarHBondContact O-N 3.47Å; L979-G981 PolarHBondContact O-N 3.35Å | ||
| 980 | H | 25.3 | Very low | 25.7 | Very low | 182 Ų | 182 | 142.4 Ų | 142.4 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | -54.3 | 111.4 | 155.8 | -81.4 | -78.7 | 0 | 0 | 0 | 108.7 | ||||
| 981 | G | 26.2 | Very low | 26.1 | Very low | 74 Ų | 74 | 139.8 Ų | 139.8 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | trans | -112.9 | 115.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | L979 | L979-G981 PolarHBondContact O-N 3.35Š| ||
| 982 | E | 24.3 | Very low | 26.2 | Very low | 183 Ų | 183 | 143.7 Ų | 143.7 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | trans | -56.8 | 134.1 | -168.2 | -67.6 | 167.7 | 140.8 | 0 | 0 | 113.8 | Q984 | E982-Q984 PolarHBondContact O-N 2.87Š| ||
| 983 | S | 25.3 | Very low | 26.1 | Very low | 119 Ų | 119 | 143 Ų | 143 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -56.6 | 113.4 | 163.6 | 45.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 984 | Q | 25 | Very low | 26.1 | Very low | 188 Ų | 188 | 148.1 Ų | 148.1 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | trans | -113.9 | 118.2 | 154.2 | -81.3 | -173.6 | 0 | 0 | 0 | 109.3 | E982 | E982-Q984 PolarHBondContact O-N 2.87Š| ||
| 985 | S | 27.6 | Very low | 26 | Very low | 98 Ų | 98 | 145.1 Ų | 145.1 | 69% | 0.685 | 81% | 0.805 | S | S | * | * | trans | -57.1 | 137 | 171.9 | 48.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 986 | D | 26.5 | Very low | 26.1 | Very low | 146 Ų | 146 | 145.2 Ų | 145.2 | 78% | 0.781 | 81% | 0.809 | S | S | * | * | trans | -175.2 | 97.8 | 135.3 | -90.3 | -20.5 | 0 | 0 | 0 | 106.7 | ||||
| 987 | Q | 25.6 | Very low | 26 | Very low | 164 Ų | 164 | 144.5 Ų | 144.5 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | 54.8 | 80 | 93.7 | -68.2 | -164.6 | 27.3 | 0 | 0 | 114.1 | |||||
| 988 | T | 28.3 | Very low | 26.1 | Very low | 144 Ų | 144 | 147 Ų | 147 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | trans | -144.4 | 101.7 | 135 | 48.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 989 | N | 23.5 | Very low | 26.2 | Very low | 149 Ų | 149 | 149.8 Ų | 149.8 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | trans | -55.1 | 143.5 | 159.5 | -50.3 | -49.8 | 0 | 0 | 0 | 108.4 | ||||
| 990 | E | 27.6 | Very low | 26.2 | Very low | 185 Ų | 185 | 151.4 Ų | 151.4 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | -169.2 | 169.3 | 52 | -101.5 | -157.8 | 151.8 | 0 | 0 | 109.3 | |||||
| 991 | P | 34.3 | Very low | 26.2 | Very low | 103 Ų | 103 | 147.3 Ų | 147.3 | 67% | 0.669 | 81% | 0.814 | S | S | * | * | trans | -103.5 | 143.5 | -143.6 | 37.1 | -32 | 0 | 0 | 0 | 115.7 | ||||
| 992 | I | 27.3 | Very low | 26.1 | Very low | 185 Ų | 185 | 148.6 Ų | 148.6 | 95% | 0.949 | 82% | 0.817 | S | S | * | * | trans | -103.1 | 79.4 | 154.1 | -58.7 | 175.8 | 0 | 0 | 0 | 107.2 | ||||
| 993 | A | 23.9 | Very low | 26.2 | Very low | 76 Ų | 76 | 145.8 Ų | 145.8 | 63% | 0.628 | 81% | 0.812 | S | S | * | * | trans | -92.2 | 122.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 994 | R | 25.2 | Very low | 26 | Very low | 243 Ų | 243 | 148.8 Ų | 148.8 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | trans | 153.4 | 102.6 | 137.7 | -84.5 | 170.2 | -175.5 | -178.1 | 3.3 | 110.3 | ||||
| 995 | A | 26.2 | Very low | 25.9 | Very low | 94 Ų | 94 | 151.1 Ų | 151.1 | 78% | 0.777 | 81% | 0.814 | S | S | * | * | 166 | 63.4 | 129.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 996 | L | 24.8 | Very low | 25.8 | Very low | 172 Ų | 172 | 151.9 Ų | 151.9 | 90% | 0.901 | 82% | 0.817 | S | S | * | * | trans | -143 | 85.4 | 159.7 | -78 | 178 | 0 | 0 | 0 | 106.8 | ||||
| 997 | D | 25.1 | Very low | 25.7 | Very low | 154 Ų | 154 | 152.6 Ų | 152.6 | 82% | 0.824 | 82% | 0.82 | S | S | * | * | trans | -150.1 | 97.8 | 153.1 | -102.3 | -19.4 | 0 | 0 | 0 | 105.4 | ||||
| 998 | N | 26.2 | Very low | 25.6 | Very low | 162 Ų | 162 | 154.4 Ų | 154.4 | 87% | 0.866 | 83% | 0.825 | S | S | * | * | trans | -149.5 | 107.1 | 152 | -97 | -19.3 | 0 | 0 | 0 | 107.4 | E1000 | N998-E1000 PolarHBondContact O-N 3.21Š| ||
| 999 | N | 26.6 | Very low | 25.3 | Very low | 156 Ų | 156 | 155 Ų | 155 | 83% | 0.834 | 82% | 0.823 | S | S | * | * | trans | -47.8 | 118.8 | 169.2 | -78.1 | -42.1 | 0 | 0 | 0 | 110.9 | S1001 | N999-S1001 VanDerWaalsContact C-N 3.25Å; N999-S1001 PolarHBondContact O-N 2.87Å | ||
| 1000 | E | 26.2 | Very low | 25.4 | Very low | 202 Ų | 202 | 152.7 Ų | 152.7 | 94% | 0.944 | 82% | 0.818 | S | S | * | * | trans | -73.3 | 79.7 | 164.7 | -70.5 | -176.3 | 152.1 | 0 | 0 | 109.3 | N998 | N998-E1000 PolarHBondContact O-N 3.21Š| ||
| 1001 | S | 25.3 | Very low | 25.2 | Very low | 96 Ų | 96 | 151.6 Ų | 151.6 | 67% | 0.671 | 82% | 0.818 | S | S | * | * | trans | -80.6 | 122.8 | 155.6 | 55.3 | 0 | 0 | 0 | 0 | 108.5 | N999 V1003 | N999-S1001 VanDerWaalsContact C-N 3.25Å; N999-S1001 PolarHBondContact O-N 2.87Å; S1001-V1003 PolarHBondContact O-N 2.81Å; S1001-V1003 VanDerWaalsContact O-N 3.14Å | ||
| 1002 | A | 24 | Very low | 24.8 | Very low | 101 Ų | 101 | 152.2 Ų | 152.2 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | trans | -24.8 | 105.9 | 177 | 0 | 0 | 0 | 0 | 0 | 114.7 | E1004 | A1002-E1004 PolarHBondContact O-N 2.99Å; A1002-E1004 VanDerWaalsContact O-N 3.12Å | ||
| 1003 | V | 25.5 | Very low | 24.7 | Very low | 125 Ų | 125 | 148.5 Ų | 148.5 | 76% | 0.758 | 81% | 0.807 | S | S | * | * | trans | -76.3 | 97.8 | 168.7 | 178.3 | 0 | 0 | 0 | 0 | 107.7 | S1001 W1005 | S1001-V1003 PolarHBondContact O-N 2.81Å; S1001-V1003 VanDerWaalsContact O-N 3.14Å; V1003-W1005 PolarHBondContact O-N 2.91Å | ||
| 1004 | E | 22.1 | Very low | 24.9 | Very low | 182 Ų | 182 | 150.4 Ų | 150.4 | 85% | 0.85 | 82% | 0.816 | S | S | * | * | trans | -59.5 | 120.6 | 160.9 | -146.8 | 171.6 | -167.2 | 0 | 0 | 107.6 | A1002 P1006 | A1002-E1004 PolarHBondContact O-N 2.99Å; A1002-E1004 VanDerWaalsContact O-N 3.12Å; E1004-P1006 VanDerWaalsContact O-CD 3.22Å; E1004-P1006 WeakPolarHBondContact O-CD 3.3Å; E1004-P1006 VanDerWaalsContact O-N 3.14Å | ||
| 1005 | W | 22 | Very low | 25.2 | Very low | 236 Ų | 236 | 146.2 Ų | 146.2 | 89% | 0.894 | 81% | 0.812 | S | S | * | * | trans | -60.5 | 111.8 | -178.5 | -70.2 | 76.1 | 0 | 0 | 0 | 109.6 | V1003 L1007 | V1003-W1005 PolarHBondContact O-N 2.91Å; W1005-L1007 PolarHBondContact O-N 2.83Å | ||
| 1006 | P | 24.8 | Very low | 25.2 | Very low | 114 Ų | 114 | 149.2 Ų | 149.2 | 74% | 0.74 | 81% | 0.814 | S | S | * | * | trans | -72.3 | 119.2 | 176.4 | 29.2 | -28.1 | 0 | 0 | 0 | 107.6 | E1004 F1008 | E1004-P1006 VanDerWaalsContact O-CD 3.22Å; E1004-P1006 WeakPolarHBondContact O-CD 3.3Å; E1004-P1006 VanDerWaalsContact O-N 3.14Å; P1006-F1008 PolarHBondContact O-N 2.95Å | ||
| 1007 | L | 24.9 | Very low | 25.3 | Very low | 161 Ų | 161 | 150 Ų | 150 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | trans | -48 | 136.1 | 165.3 | -117.1 | 83.5 | 0 | 0 | 0 | 108.5 | W1005 D1009 | W1005-L1007 PolarHBondContact O-N 2.83Å; L1007-D1009 PolarHBondContact O-N 3.29Å | ||
| 1008 | F | 24.2 | Very low | 25.4 | Very low | 202 Ų | 202 | 151.8 Ų | 151.8 | 89% | 0.886 | 81% | 0.813 | S | S | * | * | trans | -49.4 | 91.2 | 177.6 | -72.6 | -96.1 | 0 | 0 | 0 | 112.8 | P1006 C1010 | P1006-F1008 PolarHBondContact O-N 2.95Å; F1008-C1010 PolarHBondContact O-N 2.86Å | ||
| 1009 | D | 22.2 | Very low | 25.5 | Very low | 157 Ų | 157 | 154.2 Ų | 154.2 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | trans | -79 | 91.7 | 157.6 | -93.3 | -26.7 | 0 | 0 | 0 | 107 | L1007 D1011 | L1007-D1009 PolarHBondContact O-N 3.29Å; D1009-D1011 PolarHBondContact O-N 3.43Å; D1009-D1011 VanDerWaalsContact O-N 3.11Å | ||
| 1010 | C | 24.2 | Very low | 25.3 | Very low | 101 Ų | 101 | 158.5 Ų | 158.5 | 68% | 0.682 | 82% | 0.816 | S | S | * | * | trans | -64.9 | 105.3 | 163.2 | -67.4 | 0 | 0 | 0 | 0 | 107.4 | F1008 V1012 | F1008-C1010 PolarHBondContact O-N 2.86Å; C1010-V1012 PolarHBondContact O-N 3.02Å | ||
| 1011 | D | 24 | Very low | 25.1 | Very low | 162 Ų | 162 | 157.7 Ų | 157.7 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | trans | -55.3 | 89.1 | 163.1 | -80.4 | -42.3 | 0 | 0 | 0 | 109.3 | D1009 | D1009-D1011 PolarHBondContact O-N 3.43Å; D1009-D1011 VanDerWaalsContact O-N 3.11Å | ||
| 1012 | V | 26 | Very low | 25.1 | Very low | 115 Ų | 115 | 158.9 Ų | 158.9 | 70% | 0.697 | 82% | 0.821 | S | S | * | * | trans | -80.3 | 119.6 | 165.6 | 179.5 | 0 | 0 | 0 | 0 | 106.1 | C1010 S1014 | C1010-V1012 PolarHBondContact O-N 3.02Å; V1012-S1014 PolarHBondContact O-N 2.81Å | ||
| 1013 | P | 26 | Very low | 25.1 | Very low | 107 Ų | 107 | 161.3 Ų | 161.3 | 70% | 0.695 | 82% | 0.82 | S | S | * | * | trans | -57.5 | 134.3 | -166.3 | -22.8 | 31.2 | 0 | 0 | 0 | 113.1 | D1015 | P1013-D1015 PolarHBondContact O-N 3.37Š| ||
| 1014 | S | 27 | Very low | 25 | Very low | 116 Ų | 116 | 160.5 Ų | 160.5 | 81% | 0.811 | 82% | 0.82 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 29 | -164.6 | -36.6 | 0 | 0 | 0 | 0 | 116.9 | V1012 | V1012-S1014 PolarHBondContact O-N 2.81Š|
| 1015 | D | 31.6 | Very low | 25 | Very low | 156 Ų | 156 | 157.5 Ų | 157.5 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | 7.7 | -176.7 | -79.6 | -28 | 0 | 0 | 0 | 115.3 | P1013 | P1013-D1015 PolarHBondContact O-N 3.37Š|
| 1016 | L | 27.2 | Very low | 25.1 | Very low | 156 Ų | 156 | 154.7 Ų | 154.7 | 82% | 0.817 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -108.7 | 13.7 | -179.4 | -89.1 | 159.1 | 0 | 0 | 0 | 115.6 | ||
| 1017 | Q | 26.3 | Very low | 25 | Very low | 188 Ų | 188 | 153.4 Ų | 153.4 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -103 | 30.8 | 178.9 | -145.6 | 170.3 | 9.1 | 0 | 0 | 114.2 | ||
| 1018 | K | 27.8 | Very low | 24.9 | Very low | 192 Ų | 192 | 155.2 Ų | 155.2 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -115.6 | 10 | 174.1 | -95.2 | -174.5 | 179.6 | 176.6 | 0 | 116.3 | ||
| 1019 | Y | 27 | Very low | 25 | Very low | 213 Ų | 213 | 154.2 Ų | 154.2 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -132.3 | 32.1 | -173.3 | -94.2 | -81.1 | 0 | 0 | 0 | 116.5 | ||
| 1020 | W | 21.9 | Very low | 25.2 | Very low | 246 Ų | 246 | 152.6 Ų | 152.6 | 93% | 0.932 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -121.8 | 35.4 | 172.2 | -75.2 | 79.5 | 0 | 0 | 0 | 113.8 | ||
| 1021 | Q | 22.3 | Very low | 25.2 | Very low | 185 Ų | 185 | 155.4 Ų | 155.4 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | trans | -141.9 | 100.7 | 165.3 | -75.1 | -176 | -5.3 | 0 | 0 | 109.7 | ||||
| 1022 | S | 25.9 | Very low | 25.2 | Very low | 122 Ų | 122 | 151.2 Ų | 151.2 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | trans | 174.5 | 132.9 | 138.2 | 48 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1023 | D | 23.2 | Very low | 24.9 | Very low | 152 Ų | 152 | 155.9 Ų | 155.9 | 81% | 0.813 | 83% | 0.83 | S | S | * | * | trans | -61.8 | 161.7 | -174.2 | -63.4 | -68.4 | 0 | 0 | 0 | 116.4 | ||||
| 1024 | S | 23.8 | Very low | 24.9 | Very low | 108 Ų | 108 | 156.6 Ų | 156.6 | 76% | 0.755 | 83% | 0.834 | S | S | * | * | trans | 89.2 | 133.2 | 138.2 | 82.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1025 | C | 23.1 | Very low | 24.6 | Very low | 118 Ų | 118 | 155.9 Ų | 155.9 | 80% | 0.797 | 83% | 0.83 | S | S | * | * | trans | 80 | 94.9 | 146.4 | -62.2 | 0 | 0 | 0 | 0 | 119.3 | A1027 | C1025-A1027 PolarHBondContact O-N 3.42Š| ||
| 1026 | L | 22.9 | Very low | 24.3 | Very low | 178 Ų | 178 | 154.4 Ų | 154.4 | 93% | 0.932 | 83% | 0.83 | S | S | * | * | trans | -29.4 | 117.6 | 137.5 | -67.5 | 160.8 | 0 | 0 | 0 | 112.7 | ||||
| 1027 | A | 22.8 | Very low | 24.2 | Very low | 87 Ų | 87 | 154.8 Ų | 154.8 | 72% | 0.719 | 83% | 0.827 | S | S | * | * | trans | -177.3 | 127.1 | 142.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | C1025 | C1025-A1027 PolarHBondContact O-N 3.42Š| ||
| 1028 | K | 22.8 | Very low | 24 | Very low | 199 Ų | 199 | 150 Ų | 150 | 87% | 0.865 | 81% | 0.814 | S | S | * | * | trans | 76.7 | 113 | 146.9 | -68.2 | 177.2 | 176.7 | 179.4 | 0 | 119 | ||||
| 1029 | E | 26.4 | Very low | 24 | Very low | 180 Ų | 180 | 149.9 Ų | 149.9 | 84% | 0.841 | 82% | 0.817 | S | S | * | * | trans | -33.3 | 145.6 | 148.7 | -59.9 | 179.2 | 151.6 | 0 | 0 | 113 | ||||
| 1030 | P | 28 | Very low | 23.8 | Very low | 123 Ų | 123 | 143.6 Ų | 143.6 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | -137.8 | 138.1 | 121.2 | 27.1 | -9.7 | 0 | 0 | 0 | 114.4 | |||||
| 1031 | N | 22.5 | Very low | 24 | Very low | 161 Ų | 161 | 139.3 Ų | 139.3 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | trans | -31.5 | 137.9 | 162.4 | -71.1 | -49.3 | 0 | 0 | 0 | 116.7 | ||||
| 1032 | G | 24.1 | Very low | 24 | Very low | 74 Ų | 74 | 137.8 Ų | 137.8 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | trans | -170 | 69.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | P1034 | G1032-P1034 WeakPolarHBondContact O-CD 3.27Š| ||
| 1033 | K | 20.8 | Very low | 24.1 | Very low | 212 Ų | 212 | 138.8 Ų | 138.8 | 92% | 0.922 | 80% | 0.802 | S | S | * | * | trans | -65.9 | 134.2 | 163.2 | -78.9 | 177 | 174.8 | 175.2 | 0 | 109.8 | ||||
| 1034 | P | 25.1 | Very low | 24.1 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | trans | -104.2 | 124.3 | 150.3 | 26.6 | -11.4 | 0 | 0 | 0 | 109.9 | G1032 | G1032-P1034 WeakPolarHBondContact O-CD 3.27Š| ||
| 1035 | S | 21.8 | Very low | 24.2 | Very low | 102 Ų | 102 | 137.8 Ų | 137.8 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | trans | -60.1 | 136.8 | 173.8 | 49.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1036 | C | 24.1 | Very low | 24.2 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | trans | -133.4 | 116.2 | 151.7 | 49.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1037 | H | 25.4 | Very low | 24.3 | Very low | 164 Ų | 164 | 133.9 Ų | 133.9 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | trans | -55.8 | 124.8 | 175.8 | -75.3 | -81 | 0 | 0 | 0 | 111.8 | ||||
| 1038 | S | 21.7 | Very low | 24.3 | Very low | 87 Ų | 87 | 138.2 Ų | 138.2 | 61% | 0.608 | 80% | 0.799 | S | S | * | * | 61 | 104.3 | 88 | 75.4 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1039 | H | 27.7 | Very low | 24.5 | Very low | 191 Ų | 191 | 133.5 Ų | 133.5 | 88% | 0.884 | 80% | 0.797 | S | S | * | * | trans | -168.8 | 98.9 | 144.9 | -88.7 | -66.2 | 0 | 0 | 0 | 105.1 | ||||
| 1040 | A | 22.8 | Very low | 24.4 | Very low | 80 Ų | 80 | 132.2 Ų | 132.2 | 66% | 0.661 | 80% | 0.796 | S | S | * | * | 50.5 | 97.8 | 76.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1041 | D | 26.7 | Very low | 24.3 | Very low | 156 Ų | 156 | 138.1 Ų | 138.1 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | -171.3 | 146.3 | 103.4 | -92.4 | -28.5 | 0 | 0 | 0 | 113.7 | |||||
| 1042 | N | 22.8 | Very low | 24.4 | Very low | 154 Ų | 154 | 135.3 Ų | 135.3 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | -66.1 | 133.4 | -174.2 | -66.1 | -47.7 | 0 | 0 | 0 | 112.7 | ||||
| 1043 | V | 28.1 | Very low | 24.3 | Very low | 143 Ų | 143 | 140.8 Ų | 140.8 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | -123.1 | 101.4 | 150.7 | 178.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1044 | S | 22.6 | Very low | 24.6 | Very low | 108 Ų | 108 | 140.5 Ų | 140.5 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -71.6 | 128.2 | 172.8 | 57.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1045 | C | 25.7 | Very low | 24.6 | Very low | 131 Ų | 131 | 141.6 Ų | 141.6 | 89% | 0.885 | 80% | 0.8 | S | S | * | * | trans | -126 | 107.8 | 156.8 | -110.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1046 | G | 24.6 | Very low | 24.8 | Very low | 67 Ų | 67 | 144.8 Ų | 144.8 | 69% | 0.691 | 81% | 0.809 | S | S | * | * | trans | -71.6 | 143.7 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1047 | D | 24.1 | Very low | 24.8 | Very low | 146 Ų | 146 | 143.3 Ų | 143.3 | 78% | 0.781 | 80% | 0.799 | S | S | * | * | 45.8 | 106.1 | 120.8 | -61.1 | -16.3 | 0 | 0 | 0 | 117.5 | |||||
| 1048 | Q | 22.4 | Very low | 24.8 | Very low | 179 Ų | 179 | 142.3 Ų | 142.3 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | 67.2 | 106.5 | 90.1 | -77 | -169.3 | -1.6 | 0 | 0 | 112.9 | |||||
| 1049 | A | 26.5 | Very low | 24.9 | Very low | 100 Ų | 100 | 147 Ų | 147 | 83% | 0.826 | 82% | 0.817 | S | S | * | * | trans | -145.2 | 114 | 154.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1050 | D | 24.2 | Very low | 24.8 | Very low | 153 Ų | 153 | 145.3 Ų | 145.3 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -52.3 | 141.2 | -179.2 | -64.2 | -58.5 | 0 | 0 | 0 | 114.8 | ||||
| 1051 | R | 25.8 | Very low | 24.8 | Very low | 246 Ų | 246 | 145.8 Ų | 145.8 | 93% | 0.928 | 82% | 0.818 | S | S | * | * | trans | -137.7 | 81.3 | 155 | -79.4 | -167.9 | 172.1 | 176.2 | -2.3 | 110.5 | ||||
| 1052 | S | 25.1 | Very low | 24.7 | Very low | 103 Ų | 103 | 142.5 Ų | 142.5 | 72% | 0.72 | 81% | 0.813 | S | S | * | * | trans | 17.5 | 106.3 | 143.4 | 59.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1053 | E | 23 | Very low | 24.7 | Very low | 189 Ų | 189 | 143.4 Ų | 143.4 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | trans | -59.7 | 139.1 | 153.4 | -70.5 | 169.8 | 144 | 0 | 0 | 110.6 | ||||
| 1054 | F | 26.1 | Very low | 24.5 | Very low | 206 Ų | 206 | 141.4 Ų | 141.4 | 90% | 0.904 | 81% | 0.805 | S | S | * | * | trans | -98 | 106.4 | 166.8 | -107.7 | -93.8 | 0 | 0 | 0 | 107.2 | ||||
| 1055 | D | 25 | Very low | 24.5 | Very low | 145 Ų | 145 | 141.3 Ų | 141.3 | 78% | 0.775 | 80% | 0.804 | S | S | * | * | trans | -74.6 | 117 | 169.3 | -99.9 | -35.7 | 0 | 0 | 0 | 110 | ||||
| 1056 | D | 26.1 | Very low | 24.4 | Very low | 169 Ų | 169 | 147.2 Ų | 147.2 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | trans | -98.5 | 85.3 | 159.6 | -93.2 | -29.1 | 0 | 0 | 0 | 108.2 | ||||
| 1057 | S | 24 | Very low | 24.4 | Very low | 92 Ų | 92 | 149.9 Ų | 149.9 | 64% | 0.643 | 81% | 0.811 | S | S | * | * | trans | -66.1 | 127.1 | 163.9 | 53.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1058 | N | 25.4 | Very low | 24.3 | Very low | 144 Ų | 144 | 149.3 Ų | 149.3 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | trans | 169 | 97.2 | 138.7 | -89 | -29.1 | 0 | 0 | 0 | 110.1 | ||||
| 1059 | L | 25.2 | Very low | 24.3 | Very low | 184 Ų | 184 | 146.9 Ų | 146.9 | 96% | 0.963 | 81% | 0.81 | S | S | * | * | trans | -157.1 | 72.3 | 154.8 | -105.8 | 141.6 | 0 | 0 | 0 | 108.2 | ||||
| 1060 | D | 24.1 | Very low | 24.1 | Very low | 156 Ų | 156 | 148.3 Ų | 148.3 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | trans | -87.2 | 142.2 | 170.1 | -93 | -34.2 | 0 | 0 | 0 | 111.6 | ||||
| 1061 | A | 24 | Very low | 24.1 | Very low | 90 Ų | 90 | 147.1 Ų | 147.1 | 74% | 0.744 | 81% | 0.807 | S | S | * | * | trans | 80.4 | 118.8 | 141.9 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1062 | A | 24.3 | Very low | 24 | Very low | 88 Ų | 88 | 140.6 Ų | 140.6 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | 72.1 | 143.4 | 127.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 1063 | E | 22.6 | Very low | 24 | Very low | 173 Ų | 173 | 139.9 Ų | 139.9 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | cis | -172.4 | 149.6 | -7.9 | -118.4 | 177.1 | 169.4 | 0 | 0 | 104.3 | ||||
| 1064 | S | 22.8 | Very low | 24 | Very low | 101 Ų | 101 | 138.4 Ų | 138.4 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | trans | 64.7 | 126.1 | 144 | 73.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1065 | S | 23.5 | Very low | 24 | Very low | 105 Ų | 105 | 137 Ų | 137 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | 67.3 | 98.6 | 139.3 | 63.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1066 | R | 23.9 | Very low | 24 | Very low | 256 Ų | 256 | 137.7 Ų | 137.7 | 97% | 0.966 | 80% | 0.798 | S | S | * | * | trans | -121.4 | 102.4 | 147.4 | -119 | 177.8 | -177.7 | 170.9 | 0.9 | 109.4 | ||||
| 1067 | T | 24.7 | Very low | 23.9 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | -56.2 | 130.8 | 176.4 | 16.9 | 0 | 0 | 0 | 0 | 112.1 | T1069 | T1067-T1069 PolarHBondContact O-N 2.9Š| ||
| 1068 | T | 21.2 | Very low | 23.9 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | trans | -42.3 | 113.7 | 162 | -2.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1069 | T | 23.3 | Very low | 23.8 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | -97.9 | 97 | 166.9 | -12.6 | 0 | 0 | 0 | 0 | 107.4 | T1067 V1071 | T1067-T1069 PolarHBondContact O-N 2.9Å; T1069-V1071 PolarHBondContact O-N 3.25Å | ||
| 1070 | T | 22.3 | Very low | 23.6 | Very low | 129 Ų | 129 | 143.9 Ų | 143.9 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | -64.6 | 108.2 | 168.3 | 44.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 1071 | V | 24.3 | Very low | 23.5 | Very low | 128 Ų | 128 | 145.5 Ų | 145.5 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | -98.7 | 97.6 | 165.1 | 179.5 | 0 | 0 | 0 | 0 | 106.9 | T1069 A1073 | T1069-V1071 PolarHBondContact O-N 3.25Å; V1071-A1073 PolarHBondContact O-N 3.04Å | ||
| 1072 | S | 22.9 | Very low | 23.5 | Very low | 109 Ų | 109 | 147.3 Ų | 147.3 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | -65.1 | 110.5 | 164.5 | 49.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1073 | A | 26.1 | Very low | 23.4 | Very low | 89 Ų | 89 | 147.1 Ų | 147.1 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | trans | -113.1 | 86.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108 | V1071 E1075 | V1071-A1073 PolarHBondContact O-N 3.04Å; A1073-E1075 PolarHBondContact O-N 3.28Å | ||
| 1074 | D | 22.8 | Very low | 23.5 | Very low | 158 Ų | 158 | 144.8 Ų | 144.8 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | trans | -67.2 | 107.6 | 157.8 | -86.5 | -37.7 | 0 | 0 | 0 | 107.9 | ||||
| 1075 | E | 25.6 | Very low | 23.5 | Very low | 177 Ų | 177 | 148.5 Ų | 148.5 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | trans | -137.4 | 105.6 | 155.9 | -80.3 | -160.3 | 155.5 | 0 | 0 | 110.7 | A1073 V1077 | A1073-E1075 PolarHBondContact O-N 3.28Å; E1075-V1077 PolarHBondContact O-N 3.06Å | ||
| 1076 | N | 24.2 | Very low | 23.5 | Very low | 159 Ų | 159 | 148.4 Ų | 148.4 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | -54.1 | 97.6 | 167.6 | -76.2 | -48.1 | 0 | 0 | 0 | 111.2 | V1078 | N1076-V1078 PolarHBondContact O-N 2.76Š| ||
| 1077 | V | 24.7 | Very low | 23.5 | Very low | 125 Ų | 125 | 143.7 Ų | 143.7 | 76% | 0.758 | 79% | 0.794 | S | S | * | * | trans | -86.1 | 89.2 | 164.2 | -178.2 | 0 | 0 | 0 | 0 | 108.5 | E1075 R1079 | E1075-V1077 PolarHBondContact O-N 3.06Å; V1077-R1079 PolarHBondContact O-N 3Å | ||
| 1078 | V | 24.3 | Very low | 23.4 | Very low | 126 Ų | 126 | 145.8 Ų | 145.8 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | trans | -62 | 98.8 | 166.8 | 177.2 | 0 | 0 | 0 | 0 | 108.3 | N1076 R1080 | N1076-V1078 PolarHBondContact O-N 2.76Å; V1078-R1080 PolarHBondContact O-N 3.4Å | ||
| 1079 | R | 22.1 | Very low | 23.6 | Very low | 230 Ų | 230 | 145.5 Ų | 145.5 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | trans | -69.3 | 108.1 | 168.8 | -85.9 | -178.8 | 172.1 | 166.4 | -1.7 | 108.6 | V1077 E1081 | V1077-R1079 PolarHBondContact O-N 3Å; R1079-E1081 PolarHBondContact O-N 3.38Å | ||
| 1080 | R | 23 | Very low | 23.5 | Very low | 237 Ų | 237 | 145 Ų | 145 | 89% | 0.894 | 79% | 0.794 | S | S | * | * | trans | -68.6 | 112.3 | 166.7 | -98.2 | 178.6 | 168.9 | 141.1 | -3 | 109.3 | V1078 | V1078-R1080 PolarHBondContact O-N 3.4Š| ||
| 1081 | E | 21.6 | Very low | 23.5 | Very low | 190 Ų | 190 | 147.9 Ų | 147.9 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | -61.7 | 125.2 | 167.3 | -70.3 | 171 | 154.8 | 0 | 0 | 110.3 | R1079 | R1079-E1081 PolarHBondContact O-N 3.38Š| ||
| 1082 | V | 22.8 | Very low | 23.4 | Very low | 129 Ų | 129 | 147 Ų | 147 | 78% | 0.782 | 80% | 0.798 | S | S | * | * | trans | -91 | 100.1 | 166.9 | 177.6 | 0 | 0 | 0 | 0 | 106.6 | T1084 | V1082-T1084 PolarHBondContact O-N 3.48Å; V1082-T1084 VanDerWaalsContact O-N 3.09Å | ||
| 1083 | A | 23.8 | Very low | 23.4 | Very low | 84 Ų | 84 | 150.4 Ų | 150.4 | 69% | 0.694 | 80% | 0.802 | S | S | * | * | trans | -59 | 108.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | H1085 | A1083-H1085 PolarHBondContact O-N 3.26Š| ||
| 1084 | T | 23 | Very low | 23.5 | Very low | 124 Ų | 124 | 152.2 Ų | 152.2 | 76% | 0.761 | 81% | 0.806 | S | S | * | * | trans | -91.6 | 92.5 | 169.8 | 37.8 | 0 | 0 | 0 | 0 | 108 | V1082 | V1082-T1084 PolarHBondContact O-N 3.48Å; V1082-T1084 VanDerWaalsContact O-N 3.09Å | ||
| 1085 | H | 24 | Very low | 23.6 | Very low | 178 Ų | 178 | 151 Ų | 151 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | trans | -73 | 132.1 | 170.7 | -95.7 | -71.5 | 0 | 0 | 0 | 110.2 | A1083 | A1083-H1085 PolarHBondContact O-N 3.26Š| ||
| 1086 | P | 23.9 | Very low | 23.5 | Very low | 104 Ų | 104 | 151.5 Ų | 151.5 | 68% | 0.675 | 81% | 0.807 | S | S | * | * | trans | -88.3 | 133.7 | -174.9 | 27.8 | -18.9 | 0 | 0 | 0 | 112.3 | ||||
| 1087 | L | 22.6 | Very low | 23.5 | Very low | 156 Ų | 156 | 155.8 Ų | 155.8 | 82% | 0.817 | 81% | 0.811 | S | S | * | * | trans | 29.2 | 94.2 | 141.7 | -63.2 | 167.5 | 0 | 0 | 0 | 117.5 | ||||
| 1088 | L | 23.7 | Very low | 23.6 | Very low | 167 Ų | 167 | 155 Ų | 155 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | -110.1 | 107.4 | 139.7 | -86.6 | 166.3 | 0 | 0 | 0 | 107.4 | V1090 | L1088-V1090 PolarHBondContact O-N 2.95Š| ||
| 1089 | V | 23.7 | Very low | 23.7 | Very low | 128 Ų | 128 | 155.6 Ų | 155.6 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | trans | -66.8 | 98.2 | 168.9 | 176.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1090 | V | 22.6 | Very low | 23.9 | Very low | 117 Ų | 117 | 151.4 Ų | 151.4 | 71% | 0.709 | 81% | 0.812 | S | S | * | * | trans | -117.7 | 117.5 | 159.3 | 179 | 0 | 0 | 0 | 0 | 106 | L1088 S1092 | L1088-V1090 PolarHBondContact O-N 2.95Å; V1090-S1092 PolarHBondContact O-N 3.15Å | ||
| 1091 | E | 21.5 | Very low | 23.9 | Very low | 190 Ų | 190 | 148 Ų | 148 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | trans | -50.5 | 109.2 | 175 | -65.5 | 175 | 155.9 | 0 | 0 | 109.4 | ||||
| 1092 | S | 23.4 | Very low | 24 | Very low | 110 Ų | 110 | 148 Ų | 148 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | -114.8 | 110.8 | 174.9 | 61.2 | 0 | 0 | 0 | 0 | 109.5 | V1090 | V1090-S1092 PolarHBondContact O-N 3.15Š| ||
| 1093 | E | 21.9 | Very low | 24.1 | Very low | 181 Ų | 181 | 147.8 Ų | 147.8 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | -50.7 | 151.6 | 163.4 | -80.3 | -163 | 154.5 | 0 | 0 | 111.9 | V1095 | E1093-V1095 PolarHBondContact O-N 3.43Š| ||
| 1094 | P | 28.4 | Very low | 24.2 | Very low | 126 Ų | 126 | 150.3 Ų | 150.3 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -82.1 | 117.9 | -158.8 | 32.6 | -31.4 | 0 | 0 | 0 | 110.9 | ||||
| 1095 | V | 24.3 | Very low | 24.2 | Very low | 134 Ų | 134 | 149.4 Ų | 149.4 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | trans | -119.5 | 129.7 | 166.9 | -179 | 0 | 0 | 0 | 0 | 109.7 | E1093 | E1093-V1095 PolarHBondContact O-N 3.43Š| ||
| 1096 | E | 24.1 | Very low | 24.4 | Very low | 187 Ų | 187 | 146.5 Ų | 146.5 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 133.6 | -168.9 | -64.3 | 170.8 | 140.1 | 0 | 0 | 114.2 | ||
| 1097 | R | 25 | Very low | 24.4 | Very low | 249 Ų | 249 | 149.3 Ų | 149.3 | 94% | 0.94 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -97 | 129.9 | 173.7 | -84.2 | -175.4 | 178.7 | 175.9 | 0.6 | 111.6 | ||
| 1098 | P | 26.7 | Very low | 24.6 | Very low | 107 Ų | 107 | 152.6 Ų | 152.6 | 70% | 0.695 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 133.9 | 174.7 | 32.8 | -30.1 | 0 | 0 | 0 | 113.2 | ||
| 1099 | T | 25 | Very low | 24.7 | Very low | 140 Ų | 140 | 151.6 Ų | 151.6 | 86% | 0.859 | 82% | 0.82 | S | S | * | * | trans | 26.1 | 105.4 | 137.7 | -20.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1100 | V | 26.3 | Very low | 24.7 | Very low | 141 Ų | 141 | 155.7 Ų | 155.7 | 86% | 0.855 | 83% | 0.827 | S | S | * | * | trans | -128.2 | 140.9 | 157.3 | 177 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1101 | L | 24.2 | Very low | 24.9 | Very low | 167 Ų | 167 | 158.9 Ų | 158.9 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 152 | -162 | -74.5 | 145.3 | 0 | 0 | 0 | 116.7 | ||
| 1102 | Q | 22.5 | Very low | 25 | Very low | 189 Ų | 189 | 161.8 Ų | 161.8 | 88% | 0.883 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 140.8 | -178.8 | -64.8 | 172.8 | -25.6 | 0 | 0 | 114.3 | ||
| 1103 | P | 26.5 | Very low | 25.1 | Very low | 124 Ų | 124 | 166 Ų | 166 | 81% | 0.805 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 151.4 | 153.9 | 25.4 | -10.1 | 0 | 0 | 0 | 112.2 | ||
| 1104 | V | 24.9 | Very low | 25.3 | Very low | 138 Ų | 138 | 163.9 Ų | 163.9 | 84% | 0.836 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 135.8 | -161.7 | 177.6 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1105 | S | 23.6 | Very low | 25.1 | Very low | 105 Ų | 105 | 164.1 Ų | 164.1 | 73% | 0.734 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 146.1 | 173.7 | 48.8 | 0 | 0 | 0 | 0 | 116 | ||
| 1106 | P | 27.1 | Very low | 25.2 | Very low | 117 Ų | 117 | 161.8 Ų | 161.8 | 76% | 0.76 | 83% | 0.827 | S | S | * | * | trans | -129.9 | 137.6 | 131.9 | 31.1 | -16.1 | 0 | 0 | 0 | 113.3 | ||||
| 1107 | L | 24.6 | Very low | 25.3 | Very low | 163 Ų | 163 | 162.1 Ų | 162.1 | 85% | 0.853 | 83% | 0.829 | S | S | * | * | S | Bend | trans | 88.4 | 75 | 157.8 | -58.1 | 167.7 | 0 | 0 | 0 | 119.1 | ||
| 1108 | R | 26.1 | Very low | 25.3 | Very low | 224 Ų | 224 | 158.7 Ų | 158.7 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | 45.1 | 95.9 | 129.3 | -73.1 | -176.1 | 174 | -177.8 | -1.4 | 118.9 | |||||
| 1109 | N | 25.6 | Very low | 25.3 | Very low | 147 Ų | 147 | 159.5 Ų | 159.5 | 79% | 0.786 | 83% | 0.828 | S | S | * | * | 52.9 | 72.8 | 123.5 | -63.3 | -8.6 | 0 | 0 | 0 | 119.1 | K1111 | N1109-K1111 PolarHBondContact O-N 2.72Š| |||
| 1110 | F | 23.7 | Very low | 25.3 | Very low | 213 Ų | 213 | 160.5 Ų | 160.5 | 93% | 0.934 | 83% | 0.827 | S | S | * | * | trans | -80.7 | 97.1 | 144.1 | -84.2 | -84.7 | 0 | 0 | 0 | 108.4 | R1112 | F1110-R1112 PolarHBondContact O-N 3.31Š| ||
| 1111 | K | 26.8 | Very low | 25.3 | Very low | 185 Ų | 185 | 162.7 Ų | 162.7 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -61 | 117.3 | 172.3 | -82.6 | -179.5 | 169 | -176.8 | 0 | 108.9 | N1109 F1113 | N1109-K1111 PolarHBondContact O-N 2.72Å; K1111-F1113 PolarHBondContact O-N 2.83Å |
| 1112 | R | 24.2 | Very low | 25.3 | Very low | 250 Ų | 250 | 163.3 Ų | 163.3 | 94% | 0.943 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 122.1 | 164.8 | -88.9 | 176.3 | 168.8 | 160.6 | -4.3 | 108.8 | F1110 D1114 | F1110-R1112 PolarHBondContact O-N 3.31Å; R1112-D1114 PolarHBondContact O-N 3.45Å |
| 1113 | F | 24.9 | Very low | 25.5 | Very low | 198 Ų | 198 | 162 Ų | 162 | 87% | 0.868 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 116.1 | 167.1 | -101 | -97.9 | 0 | 0 | 0 | 108.4 | K1111 | K1111-F1113 PolarHBondContact O-N 2.83Š|
| 1114 | D | 26 | Very low | 25.6 | Very low | 137 Ų | 137 | 162.8 Ų | 162.8 | 73% | 0.733 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 128.8 | 170.7 | -161.5 | -6.2 | 0 | 0 | 0 | 108.8 | R1112 S1116 | R1112-D1114 PolarHBondContact O-N 3.45Å; D1114-S1116 PolarHBondContact O-N 3.5Å; D1114-S1116 PolarHBondContact OD1-OG 3.07Å |
| 1115 | C | 25.7 | Very low | 25.8 | Very low | 131 Ų | 131 | 163.6 Ų | 163.6 | 89% | 0.885 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -99.3 | 33.5 | -170.2 | -69.6 | 0 | 0 | 0 | 0 | 112.3 | ||
| 1116 | S | 26.2 | Very low | 26 | Very low | 86 Ų | 86 | 163.1 Ų | 163.1 | 60% | 0.601 | 82% | 0.823 | S | S | * | * | trans | -140.7 | 62.6 | -180 | 62.3 | 0 | 0 | 0 | 0 | 112.4 | D1114 | D1114-S1116 PolarHBondContact O-N 3.5Å; D1114-S1116 PolarHBondContact OD1-OG 3.07Å | ||
| 1117 | E | 25.4 | Very low | 26 | Very low | 194 Ų | 194 | 167.4 Ų | 167.4 | 91% | 0.907 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -138.8 | 142.8 | 153.5 | -73.3 | -163.9 | 162.9 | 0 | 0 | 109.9 | ||
| 1118 | E | 26 | Very low | 26 | Very low | 177 Ų | 177 | 169.5 Ų | 169.5 | 83% | 0.827 | 83% | 0.832 | S | S | * | * | trans | -64.7 | 150.1 | -153.3 | -64.2 | 171.7 | 144.6 | 0 | 0 | 115 | L1120 | E1118-L1120 PolarHBondContact O-N 3.44Š| ||
| 1119 | P | 26.5 | Very low | 26.2 | Very low | 123 Ų | 123 | 167.6 Ų | 167.6 | 80% | 0.799 | 83% | 0.832 | S | S | * | * | trans | -69.2 | 108.4 | -179.9 | 27.6 | -31.3 | 0 | 0 | 0 | 110.6 | F1121 | P1119-F1121 PolarHBondContact O-N 2.7Š| ||
| 1120 | L | 25.2 | Very low | 26.1 | Very low | 161 Ų | 161 | 165.3 Ų | 165.3 | 84% | 0.843 | 83% | 0.827 | S | S | * | * | trans | -75.8 | 65.8 | 175.5 | -130.1 | 137.5 | 0 | 0 | 0 | 110.4 | E1118 | E1118-L1120 PolarHBondContact O-N 3.44Š| ||
| 1121 | F | 25.8 | Very low | 26.3 | Very low | 188 Ų | 188 | 162.2 Ų | 162.2 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | trans | -131.1 | 93.6 | 158.9 | -72 | -72 | 0 | 0 | 0 | 108.4 | P1119 D1123 | P1119-F1121 PolarHBondContact O-N 2.7Å; F1121-D1123 PolarHBondContact O-N 3.27Å | ||
| 1122 | Q | 24 | Very low | 26.1 | Very low | 179 Ų | 179 | 161 Ų | 161 | 84% | 0.836 | 83% | 0.828 | S | S | * | * | trans | -59.2 | 105.6 | 163.5 | -116.5 | 166.3 | -10.9 | 0 | 0 | 107.8 | D1124 | Q1122-D1124 PolarHBondContact O-N 3.14Š| ||
| 1123 | D | 27.9 | Very low | 26.1 | Very low | 163 Ų | 163 | 153.1 Ų | 153.1 | 87% | 0.872 | 83% | 0.825 | S | S | * | * | trans | -76.5 | 101.5 | 166.5 | -90.5 | -28.4 | 0 | 0 | 0 | 108.1 | F1121 D1125 | F1121-D1123 PolarHBondContact O-N 3.27Å; D1123-D1125 PolarHBondContact O-N 2.99Å | ||
| 1124 | D | 28.6 | Very low | 26.1 | Very low | 139 Ų | 139 | 147.3 Ų | 147.3 | 74% | 0.743 | 82% | 0.821 | S | S | * | * | trans | -69 | 114.7 | 171.7 | -83.7 | -31.8 | 0 | 0 | 0 | 110.8 | Q1122 | Q1122-D1124 PolarHBondContact O-N 3.14Š| ||
| 1125 | D | 28.4 | Very low | 26 | Very low | 156 Ų | 156 | 146.8 Ų | 146.8 | 83% | 0.834 | 83% | 0.828 | S | S | * | * | trans | 47.4 | 82.3 | 141.8 | -68.9 | -28.5 | 0 | 0 | 0 | 119.1 | D1123 | D1123-D1125 PolarHBondContact O-N 2.99Š| ||
| 1126 | A | 27.9 | Very low | 26 | Very low | 94 Ų | 94 | 145.8 Ų | 145.8 | 78% | 0.777 | 82% | 0.822 | S | S | * | * | trans | -132 | 91.3 | 152.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | K1128 | A1126-K1128 PolarHBondContact O-N 2.66Š| ||
| 1127 | K | 26.1 | Very low | 25.9 | Very low | 208 Ų | 208 | 150.3 Ų | 150.3 | 90% | 0.904 | 84% | 0.84 | S | S | * | * | trans | -32.9 | 103.9 | 171.2 | -68.8 | 171.7 | 178 | 171.8 | 0 | 113 | ||||
| 1128 | K | 25.6 | Very low | 25.9 | Very low | 206 Ų | 206 | 146.1 Ų | 146.1 | 90% | 0.896 | 83% | 0.832 | S | S | * | * | trans | -92.5 | 114.9 | 162.8 | -85.2 | -176.9 | 178.6 | 172.9 | 0 | 110.1 | A1126 | A1126-K1128 PolarHBondContact O-N 2.66Š| ||
| 1129 | H | 29.2 | Very low | 25.8 | Very low | 184 Ų | 184 | 141.1 Ų | 141.1 | 85% | 0.852 | 83% | 0.828 | S | S | * | * | trans | -57 | 131.4 | 162.7 | -87 | -81.6 | 0 | 0 | 0 | 110.4 | ||||
| 1130 | S | 23.3 | Very low | 25.6 | Very low | 99 Ų | 99 | 146.9 Ų | 146.9 | 69% | 0.692 | 83% | 0.834 | S | S | * | * | trans | -55.4 | 125 | 172.4 | 53.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1131 | V | 28.6 | Very low | 25.5 | Very low | 148 Ų | 148 | 147.2 Ų | 147.2 | 90% | 0.897 | 84% | 0.835 | S | S | * | * | trans | -137.1 | 114 | 142.8 | -179.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1132 | N | 22.9 | Very low | 25.4 | Very low | 160 Ų | 160 | 143.3 Ų | 143.3 | 86% | 0.856 | 83% | 0.831 | S | S | * | * | trans | -70.8 | 150 | 176.6 | -77.1 | -31.8 | 0 | 0 | 0 | 112.1 | ||||
| 1133 | G | 24.7 | Very low | 25.6 | Very low | 85 Ų | 85 | 138.2 Ų | 138.2 | 88% | 0.876 | 83% | 0.827 | S | S | * | * | trans | 125.8 | 119.9 | 140.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1134 | G | 25.1 | Very low | 25.4 | Very low | 76 Ų | 76 | 140.7 Ų | 140.7 | 78% | 0.784 | 83% | 0.83 | S | S | * | * | trans | 122.7 | 71.6 | 149.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | S1136 | G1134-S1136 PolarHBondContact O-N 2.84Š| ||
| 1135 | S | 22.3 | Very low | 25.3 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 88% | 0.881 | 82% | 0.822 | S | S | * | * | trans | -49.9 | 125.8 | 160.9 | 51.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 1136 | S | 25.7 | Very low | 25.4 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 77% | 0.769 | 83% | 0.829 | S | S | * | * | trans | -147.6 | 116 | 146.3 | 50.3 | 0 | 0 | 0 | 0 | 109 | G1134 S1138 | G1134-S1136 PolarHBondContact O-N 2.84Å; S1136-S1138 PolarHBondContact O-N 3.37Å; S1136-S1138 VanDerWaalsContact O-N 3.14Å | ||
| 1137 | D | 24.7 | Very low | 25.5 | Very low | 181 Ų | 181 | 140.4 Ų | 140.4 | 97% | 0.968 | 81% | 0.814 | S | S | * | * | trans | -57.6 | 105.7 | -179.3 | -85.1 | -44.6 | 0 | 0 | 0 | 111.6 | ||||
| 1138 | S | 24.6 | Very low | 26.1 | Very low | 105 Ų | 105 | 135.3 Ų | 135.3 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | -111.5 | 99.3 | 160.4 | 66.8 | 0 | 0 | 0 | 0 | 108.4 | S1136 R1140 | S1136-S1138 PolarHBondContact O-N 3.37Å; S1136-S1138 VanDerWaalsContact O-N 3.14Å; S1138-R1140 PolarHBondContact O-N 2.98Å; S1138-R1140 VanDerWaalsContact O-N 3.15Å | ||
| 1139 | G | 24.5 | Very low | 26.4 | Very low | 73 Ų | 73 | 130.4 Ų | 130.4 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | -52.6 | 115.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | I1141 | G1139-I1141 PolarHBondContact O-N 3.06Š| ||
| 1140 | R | 22.4 | Very low | 26.5 | Very low | 243 Ų | 243 | 132 Ų | 132 | 92% | 0.917 | 79% | 0.79 | S | S | * | * | trans | -62.4 | 111.5 | 172.6 | -88.8 | 176.5 | 168.4 | 170.1 | -3.7 | 109.8 | S1138 S1142 | S1138-R1140 PolarHBondContact O-N 2.98Å; S1138-R1140 VanDerWaalsContact O-N 3.15Å; R1140-S1142 PolarHBondContact O-N 3.15Å | ||
| 1141 | I | 23.2 | Very low | 26.9 | Very low | 168 Ų | 168 | 131.2 Ų | 131.2 | 86% | 0.862 | 78% | 0.778 | S | S | * | * | trans | -75.2 | 95 | 161.1 | -63.3 | 171.2 | 0 | 0 | 0 | 106.7 | G1139 | G1139-I1141 PolarHBondContact O-N 3.06Š| ||
| 1142 | S | 24.7 | Very low | 27.1 | Very low | 107 Ų | 107 | 130.6 Ų | 130.6 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | trans | -91.9 | 110.9 | 171.5 | 53.5 | 0 | 0 | 0 | 0 | 110.7 | R1140 | R1140-S1142 PolarHBondContact O-N 3.15Š| ||
| 1143 | G | 26.4 | Very low | 27.3 | Very low | 72 Ų | 72 | 129.6 Ų | 129.6 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | trans | 60.8 | 80.4 | 138.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | G1145 | G1143-G1145 PolarHBondContact O-N 3.39Å; G1143-G1145 VanDerWaalsContact O-N 3.16Å | ||
| 1144 | F | 24.2 | Very low | 27.7 | Very low | 215 Ų | 215 | 128.4 Ų | 128.4 | 94% | 0.943 | 73% | 0.73 | S | S | * | * | trans | -77 | 93.5 | 158.1 | -100.5 | -90.2 | 0 | 0 | 0 | 110.2 | ||||
| 1145 | G | 27.3 | Very low | 27.9 | Very low | 56 Ų | 56 | 133.3 Ų | 133.3 | 58% | 0.577 | 73% | 0.725 | S | S | * | * | trans | -97.4 | 123.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G1143 S1147 | G1143-G1145 PolarHBondContact O-N 3.39Å; G1143-G1145 VanDerWaalsContact O-N 3.16Å; G1145-S1147 PolarHBondContact O-N 3.49Å | ||
| 1146 | R | 30.6 | Very low | 28.2 | Very low | 259 Ų | 259 | 132.2 Ų | 132.2 | 98% | 0.977 | 71% | 0.709 | S | S | * | * | S | Bend | trans | 49.7 | 13.3 | 143.8 | -72.8 | -172 | 172 | -175.7 | -1.9 | 122.7 | ||
| 1147 | S | 30 | Very low | 28.3 | Very low | 67 Ų | 67 | 133.1 Ų | 133.1 | 47% | 0.469 | 71% | 0.705 | S | S | . | * | trans | -100.8 | -4.1 | 173.8 | 57.1 | 0 | 0 | 0 | 0 | 116.3 | G1145 V1149 R1150 D1151 | G1145-S1147 PolarHBondContact O-N 3.49Å; S1147-V1149 VanDerWaalsContact C-N 3.3Å; S1147-V1149 PolarHBondContact O-N 2.84Å; S1147-V1149 VanDerWaalsContact O-N 3.11Å; S1147-R1150 PolarHBondContact O-N 3.4Å; S1147-D1151 PolarHBondContact O-N 3Å | ||
| 1148 | S | 37.7 | Very low | 28.6 | Very low | 101 Ų | 101 | 132.5 Ų | 132.5 | 71% | 0.706 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -21 | -169.6 | -172.8 | 0 | 0 | 0 | 0 | 116.4 | ||
| 1149 | V | 33 | Very low | 28.8 | Very low | 103 Ų | 103 | 130.6 Ų | 130.6 | 62% | 0.624 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -36.9 | -178.8 | -178 | 0 | 0 | 0 | 0 | 111.3 | S1147 F1152 F1153 | S1147-V1149 VanDerWaalsContact C-N 3.3Å; S1147-V1149 PolarHBondContact O-N 2.84Å; S1147-V1149 VanDerWaalsContact O-N 3.11Å; V1149-F1152 PolarHBondContact O-N 3.27Å; V1149-F1153 HydrophobicContact CG1-CD2 4.01Å; V1149-F1153 HydrophobicContact CG1-CE2 3.74Å; V1149-F1153 WeakPolarHBondContact O-CD2 3.37Å; V1149-F1153 PolarHBondContact O-N 3.39Å |
| 1150 | R | 29.9 | Very low | 28.9 | Very low | 218 Ų | 218 | 131 Ų | 131 | 82% | 0.823 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -74.4 | -34.9 | 179.7 | -158 | 173.3 | -178.1 | 167.6 | -0.8 | 111.9 | S1147 F1152 F1153 S1154 | S1147-R1150 PolarHBondContact O-N 3.4Å; R1150-F1152 VanDerWaalsContact C-N 3.31Å; R1150-F1152 PolarHBondContact O-N 2.7Å; R1150-F1153 PolarHBondContact O-N 3.25Å; R1150-S1154 PolarHBondContact O-N 3.27Å; R1150-S1154 VanDerWaalsContact O-N 3.07Å; R1150-S1154 PolarHBondContact O-OG 2.96Å; R1150-S1154 VanDerWaalsContact O-OG 3.13Å |
| 1151 | D | 32.9 | Very low | 29.2 | Very low | 82 Ų | 82 | 125.6 Ų | 125.6 | 44% | 0.439 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -70.4 | -24.8 | 173.8 | -93.6 | 8.4 | 0 | 0 | 0 | 113.3 | S1147 S1154 R1155 | S1147-D1151 PolarHBondContact O-N 3Å; D1151-S1154 WeakPolarHBondContact CA-OG 3.39Å; D1151-S1154 PolarHBondContact O-OG 2.91Å; D1151-R1155 WeakPolarHBondContact O-CB 3.25Å; D1151-R1155 WeakPolarHBondContact O-CD 3.45Å; D1151-R1155 WeakPolarHBondContact O-CG 3.47Å; D1151-R1155 PolarHBondContact O-N 3.18Å |
| 1152 | F | 31.6 | Very low | 29.4 | Very low | 136 Ų | 136 | 122.1 Ų | 122.1 | 60% | 0.596 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -71.3 | -40.6 | 172.8 | -173.7 | -100.1 | 0 | 0 | 0 | 111.5 | V1149 R1150 L1156 | V1149-F1152 PolarHBondContact O-N 3.27Å; R1150-F1152 VanDerWaalsContact C-N 3.31Å; R1150-F1152 PolarHBondContact O-N 2.7Å; F1152-L1156 HydrophobicContact CE1-CD1 4.15Å; F1152-L1156 PolarHBondContact O-N 3.02Å |
| 1153 | F | 28.2 | Very low | 29.5 | Very low | 138 Ų | 138 | 123 Ų | 123 | 61% | 0.605 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -75.3 | -31.4 | 178.8 | -75.7 | -68.8 | 0 | 0 | 0 | 113.9 | V1149 R1150 | V1149-F1153 HydrophobicContact CG1-CD2 4.01Å; V1149-F1153 HydrophobicContact CG1-CE2 3.74Å; V1149-F1153 WeakPolarHBondContact O-CD2 3.37Å; V1149-F1153 PolarHBondContact O-N 3.39Å; R1150-F1153 PolarHBondContact O-N 3.25Å |
| 1154 | S | 32.5 | Very low | 29.4 | Very low | 60 Ų | 60 | 127.6 Ų | 127.6 | 42% | 0.42 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -73.3 | -35.1 | 172.8 | 50.3 | 0 | 0 | 0 | 0 | 112.6 | R1150 D1151 L1156 N1157 | R1150-S1154 PolarHBondContact O-N 3.27Å; R1150-S1154 VanDerWaalsContact O-N 3.07Å; R1150-S1154 PolarHBondContact O-OG 2.96Å; R1150-S1154 VanDerWaalsContact O-OG 3.13Å; D1151-S1154 WeakPolarHBondContact CA-OG 3.39Å; D1151-S1154 PolarHBondContact O-OG 2.91Å; S1154-L1156 VanDerWaalsContact C-N 3.26Å; S1154-L1156 PolarHBondContact O-N 2.9Å; S1154-N1157 WeakPolarHBondContact O-CB 3.36Å; S1154-N1157 PolarHBondContact O-N 3.31Å |
| 1155 | R | 30.5 | Very low | 29.4 | Very low | 180 Ų | 180 | 122.6 Ų | 122.6 | 68% | 0.679 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -67.5 | -21.7 | 176.1 | -75.7 | 178.4 | -178.5 | -166.4 | 1.7 | 114.1 | D1151 N1157 A1159 | D1151-R1155 WeakPolarHBondContact O-CB 3.25Å; D1151-R1155 WeakPolarHBondContact O-CD 3.45Å; D1151-R1155 WeakPolarHBondContact O-CG 3.47Å; D1151-R1155 PolarHBondContact O-N 3.18Å; R1155-N1157 VanDerWaalsContact C-N 3.3Å; R1155-A1159 PolarHBondContact O-N 3.37Å |
| 1156 | L | 28.5 | Very low | 29.2 | Very low | 103 Ų | 103 | 131.9 Ų | 131.9 | 54% | 0.539 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -69.2 | -27.7 | 169.3 | -91.9 | 157.9 | 0 | 0 | 0 | 112.5 | F1152 S1154 | F1152-L1156 HydrophobicContact CE1-CD1 4.15Å; F1152-L1156 PolarHBondContact O-N 3.02Å; S1154-L1156 VanDerWaalsContact C-N 3.26Å; S1154-L1156 PolarHBondContact O-N 2.9Å |
| 1157 | N | 26.6 | Very low | 29 | Very low | 128 Ų | 128 | 127.6 Ų | 127.6 | 68% | 0.684 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -81.6 | -26.6 | -177.8 | -150 | 39.1 | 0 | 0 | 0 | 113 | S1154 R1155 | S1154-N1157 WeakPolarHBondContact O-CB 3.36Å; S1154-N1157 PolarHBondContact O-N 3.31Å; R1155-N1157 VanDerWaalsContact C-N 3.3Å |
| 1158 | E | 30.4 | Very low | 28.7 | Very low | 168 Ų | 168 | 130.4 Ų | 130.4 | 79% | 0.785 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -81 | -21.3 | 171.6 | -74.5 | -176 | 171.4 | 0 | 0 | 112.7 | A1160 | E1158-A1160 VanDerWaalsContact C-N 3.33Å; E1158-A1160 PolarHBondContact O-N 3.39Å |
| 1159 | A | 29 | Very low | 28.1 | Very low | 66 Ų | 66 | 135.2 Ų | 135.2 | 55% | 0.545 | 70% | 0.703 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.6 | -5.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | R1155 V1161 | R1155-A1159 PolarHBondContact O-N 3.37Å; A1159-V1161 PolarHBondContact O-N 2.85Å |
| 1160 | A | 27.3 | Very low | 27.7 | Very low | 82 Ų | 82 | 137.5 Ų | 137.5 | 68% | 0.678 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -3.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | E1158 | E1158-A1160 VanDerWaalsContact C-N 3.33Å; E1158-A1160 PolarHBondContact O-N 3.39Å |
| 1161 | V | 27.7 | Very low | 27.4 | Very low | 128 Ų | 128 | 137.5 Ų | 137.5 | 78% | 0.776 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -119.2 | 103.8 | 170.7 | -172.7 | 0 | 0 | 0 | 0 | 107.7 | A1159 | A1159-V1161 PolarHBondContact O-N 2.85Š|
| 1162 | S | 28.8 | Very low | 26.9 | Very low | 95 Ų | 95 | 145.1 Ų | 145.1 | 66% | 0.664 | 73% | 0.732 | S | S | * | * | trans | 93.5 | 89.1 | 179.2 | -162.4 | 0 | 0 | 0 | 0 | 116.8 | M1164 | S1162-M1164 PolarHBondContact O-N 3.13Å; S1162-M1164 VanDerWaalsContact O-N 3.17Å | ||
| 1163 | P | 26.4 | Very low | 26.6 | Very low | 126 Ų | 126 | 146.7 Ų | 146.7 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | -84.9 | 83 | 175.4 | 34.9 | -30.6 | 0 | 0 | 0 | 110.6 | ||||
| 1164 | M | 23.5 | Very low | 26.5 | Very low | 168 Ų | 168 | 145.3 Ų | 145.3 | 83% | 0.828 | 75% | 0.749 | S | S | * | * | trans | -139.7 | 125.7 | 159 | -91.4 | -151.8 | -85.5 | 0 | 0 | 111.9 | S1162 | S1162-M1164 PolarHBondContact O-N 3.13Å; S1162-M1164 VanDerWaalsContact O-N 3.17Å | ||
| 1165 | S | 25.7 | Very low | 26.1 | Very low | 111 Ų | 111 | 146.8 Ų | 146.8 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 77.5 | 90.9 | 170.9 | 79.2 | 0 | 0 | 0 | 0 | 117.3 | ||
| 1166 | R | 22 | Very low | 25.9 | Very low | 250 Ų | 250 | 145.2 Ų | 145.2 | 94% | 0.943 | 77% | 0.77 | S | S | * | * | trans | 173.8 | 70.4 | 133.7 | -92.5 | 166 | -162 | -157 | 7.4 | 110.4 | ||||
| 1167 | L | 25.9 | Very low | 25.6 | Very low | 169 Ų | 169 | 146.9 Ų | 146.9 | 89% | 0.885 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -96.5 | 123 | 154.6 | -103 | 154.2 | 0 | 0 | 0 | 107.3 | K1169 | L1167-K1169 PolarHBondContact O-N 3.3Š|
| 1168 | V | 25.7 | Very low | 25.6 | Very low | 126 Ų | 126 | 148.2 Ų | 148.2 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | trans | -41 | 120.7 | 177.1 | 173.3 | 0 | 0 | 0 | 0 | 109.6 | I1170 | V1168-I1170 PolarHBondContact O-N 3.46Š| ||
| 1169 | K | 23.9 | Very low | 25.2 | Very low | 203 Ų | 203 | 147.3 Ų | 147.3 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | trans | -59 | 85.5 | 175.3 | -83.3 | 178.4 | 173.8 | 174 | 0 | 109.7 | L1167 R1171 | L1167-K1169 PolarHBondContact O-N 3.3Å; K1169-R1171 PolarHBondContact O-N 3.27Å; K1169-R1171 VanDerWaalsContact O-N 3.09Å | ||
| 1170 | I | 25.6 | Very low | 24.9 | Very low | 150 Ų | 150 | 153.4 Ų | 153.4 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -69.5 | 103.4 | 160 | -62.8 | 175.5 | 0 | 0 | 0 | 105.5 | V1168 R1172 | V1168-I1170 PolarHBondContact O-N 3.46Å; I1170-R1172 PolarHBondContact O-N 2.93Å | ||
| 1171 | R | 22.8 | Very low | 24.8 | Very low | 219 Ų | 219 | 154.2 Ų | 154.2 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | trans | -60.1 | 94.7 | 179.4 | -164.1 | 174.7 | -171 | 160.7 | 0.4 | 108.5 | K1169 Q1173 | K1169-R1171 PolarHBondContact O-N 3.27Å; K1169-R1171 VanDerWaalsContact O-N 3.09Å; R1171-Q1173 VanDerWaalsContact C-N 3.34Å; R1171-Q1173 PolarHBondContact O-N 2.96Å | ||
| 1172 | R | 22.4 | Very low | 24.5 | Very low | 242 Ų | 242 | 154.5 Ų | 154.5 | 91% | 0.913 | 80% | 0.804 | S | S | * | * | trans | -64.2 | 94.3 | 167 | -75.3 | -177.1 | 177.6 | 169 | -0.1 | 107.8 | I1170 S1174 | I1170-R1172 PolarHBondContact O-N 2.93Å; R1172-S1174 PolarHBondContact O-N 2.72Å | ||
| 1173 | Q | 25.2 | Very low | 24.2 | Very low | 168 Ų | 168 | 154.7 Ų | 154.7 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | -69.9 | 106.7 | 164.4 | -77.5 | -179.5 | -14.1 | 0 | 0 | 107.3 | R1171 A1175 | R1171-Q1173 VanDerWaalsContact C-N 3.34Å; R1171-Q1173 PolarHBondContact O-N 2.96Å; Q1173-A1175 PolarHBondContact O-N 3.25Å | ||
| 1174 | S | 25.5 | Very low | 24 | Very low | 109 Ų | 109 | 153.3 Ų | 153.3 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | -61.6 | 116.7 | 172.7 | -171.6 | 0 | 0 | 0 | 0 | 108.8 | R1172 N1176 | R1172-S1174 PolarHBondContact O-N 2.72Å; S1174-N1176 PolarHBondContact O-N 2.73Å | ||
| 1175 | A | 24.4 | Very low | 23.9 | Very low | 91 Ų | 91 | 152.5 Ų | 152.5 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | trans | -68.2 | 92.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | Q1173 N1177 | Q1173-A1175 PolarHBondContact O-N 3.25Å; A1175-N1177 PolarHBondContact O-N 2.91Å | ||
| 1176 | N | 25.8 | Very low | 23.8 | Very low | 147 Ų | 147 | 154.4 Ų | 154.4 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | trans | -86.4 | 97.7 | 170.4 | -137.4 | 14.4 | 0 | 0 | 0 | 108.2 | S1174 N1178 | S1174-N1176 PolarHBondContact O-N 2.73Å; N1176-N1178 PolarHBondContact O-N 3.26Å | ||
| 1177 | N | 22.4 | Very low | 23.8 | Very low | 139 Ų | 139 | 145.7 Ų | 145.7 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | trans | -58.4 | 115.6 | 165.9 | -85.4 | -24.8 | 0 | 0 | 0 | 109.2 | A1175 | A1175-N1177 PolarHBondContact O-N 2.91Š| ||
| 1178 | N | 26.8 | Very low | 23.6 | Very low | 156 Ų | 156 | 143 Ų | 143 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | trans | -144.6 | 96.5 | 152.4 | -97.1 | -20.4 | 0 | 0 | 0 | 109.6 | N1176 | N1176-N1178 PolarHBondContact O-N 3.26Š| ||
| 1179 | N | 22.2 | Very low | 23.4 | Very low | 149 Ų | 149 | 146.5 Ų | 146.5 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -63.1 | 129.3 | 159.6 | -73.8 | -32.3 | 0 | 0 | 0 | 109.5 | ||||
| 1180 | K | 23.7 | Very low | 23.4 | Very low | 194 Ų | 194 | 142.6 Ų | 142.6 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | 170.7 | 145.7 | 125.9 | -95.8 | 169.9 | 178.9 | -179.2 | 0 | 112.9 | |||||
| 1181 | S | 24.5 | Very low | 23.1 | Very low | 98 Ų | 98 | 141.5 Ų | 141.5 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | trans | 64.9 | 105.3 | 157.3 | 51.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1182 | T | 21.6 | Very low | 23.3 | Very low | 134 Ų | 134 | 141 Ų | 141 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | 65.8 | 126.8 | 71.8 | 63.5 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 1183 | A | 22.6 | Very low | 23.2 | Very low | 99 Ų | 99 | 137.5 Ų | 137.5 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | 73.9 | 140.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1184 | S | 22 | Very low | 23 | Very low | 98 Ų | 98 | 134.4 Ų | 134.4 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | cis | 176.3 | 136.7 | -6 | 44.2 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 1185 | L | 22.4 | Very low | 23 | Very low | 150 Ų | 150 | 134.5 Ų | 134.5 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | 51.5 | 134.7 | 144.3 | -75.7 | 155.1 | 0 | 0 | 0 | 122.3 | ||||
| 1186 | D | 22 | Very low | 23.9 | Very low | 152 Ų | 152 | 136.3 Ų | 136.3 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | 81.1 | 131 | 142.6 | -62.8 | -22.6 | 0 | 0 | 0 | 120.9 | ||||
| 1187 | G | 22.2 | Very low | 23.9 | Very low | 66 Ų | 66 | 134.4 Ų | 134.4 | 68% | 0.68 | 79% | 0.793 | S | S | * | * | trans | 145.4 | 66.8 | 146.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1188 | S | 22.9 | Very low | 24.1 | Very low | 113 Ų | 113 | 132 Ų | 132 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | 52.5 | 101.8 | 137.3 | 57.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1189 | E | 20.7 | Very low | 24 | Very low | 200 Ų | 200 | 130 Ų | 130 | 94% | 0.935 | 79% | 0.791 | S | S | * | * | trans | -65.7 | 128.7 | 151.3 | -77.4 | 179.7 | 144.8 | 0 | 0 | 110.7 | ||||
| 1190 | V | 23.9 | Very low | 24.2 | Very low | 121 Ų | 121 | 132.7 Ų | 132.7 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | trans | -104.7 | 115.3 | 165.5 | 171.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1191 | T | 20.3 | Very low | 24.2 | Very low | 127 Ų | 127 | 127.4 Ų | 127.4 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | trans | -59.8 | 133.1 | 169.2 | 36 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1192 | F | 25.3 | Very low | 24.2 | Very low | 207 Ų | 207 | 128 Ų | 128 | 91% | 0.908 | 80% | 0.804 | S | S | * | * | trans | -111.5 | 142 | 160.2 | -106 | -87.6 | 0 | 0 | 0 | 110.8 | ||||
| 1193 | Q | 21.7 | Very low | 24.3 | Very low | 169 Ų | 169 | 130 Ų | 130 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | trans | -97.4 | 155.9 | -156.5 | -69.2 | 169.9 | -44.2 | 0 | 0 | 115.2 | ||||
| 1194 | S | 21.3 | Very low | 24.5 | Very low | 104 Ų | 104 | 128.9 Ų | 128.9 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | 64.8 | 139.2 | 138 | 69.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1195 | S | 24.3 | Very low | 24.9 | Very low | 110 Ų | 110 | 131.6 Ų | 131.6 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | cis | -165.3 | 163 | 31.7 | -42 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1196 | P | 43.4 | Very low | 25.4 | Very low | 129 Ų | 129 | 127.7 Ų | 127.7 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | trans | -114.2 | 165.2 | -177.4 | 40.4 | -29.4 | 0 | 0 | 0 | 115.8 | ||||
| 1197 | A | 26.1 | Very low | 25.9 | Very low | 107 Ų | 107 | 125.2 Ų | 125.2 | 88% | 0.884 | 79% | 0.79 | S | S | * | * | trans | -167.6 | 143.6 | 159.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1198 | A | 27.2 | Very low | 26.6 | Very low | 88 Ų | 88 | 125.1 Ų | 125.1 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | cis | -159.8 | 119.1 | -0.7 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 1199 | S | 23.2 | Very low | 27.1 | Very low | 114 Ų | 114 | 124.3 Ų | 124.3 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | 49.1 | 106.5 | 107 | 71.9 | 0 | 0 | 0 | 0 | 118 | |||||
| 1200 | E | 26.2 | Very low | 28 | Very low | 206 Ų | 206 | 117.7 Ų | 117.7 | 96% | 0.963 | 75% | 0.745 | S | S | * | * | trans | -140.1 | 125.9 | 139.1 | -79.5 | -162.5 | 155.9 | 0 | 0 | 108.8 | ||||
| 1201 | G | 23.7 | Very low | 28.8 | Very low | 83 Ų | 83 | 117.4 Ų | 117.4 | 86% | 0.856 | 74% | 0.739 | S | S | * | * | trans | -89.7 | 147.2 | -161.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1202 | S | 24.4 | Very low | 29.6 | Very low | 112 Ų | 112 | 120.1 Ų | 120.1 | 78% | 0.783 | 74% | 0.735 | S | S | * | * | trans | -151.7 | 94.4 | 158 | -178.8 | 0 | 0 | 0 | 0 | 109.5 | G1204 | S1202-G1204 PolarHBondContact O-N 2.69Š| ||
| 1203 | L | 25.5 | Very low | 30.2 | Very low | 175 Ų | 175 | 115.4 Ų | 115.4 | 92% | 0.916 | 72% | 0.719 | S | S | * | * | trans | 33.9 | 66.8 | 150 | -59.5 | 169.7 | 0 | 0 | 0 | 117.4 | L1205 | L1203-L1205 PolarHBondContact O-N 2.74Š| ||
| 1204 | G | 26.7 | Very low | 31.2 | Very low | 75 Ų | 75 | 111 Ų | 111 | 77% | 0.773 | 71% | 0.707 | S | S | * | * | trans | -72.7 | 110.8 | 161.6 | 0 | 0 | 0 | 0 | 0 | 111 | S1202 S1206 | S1202-G1204 PolarHBondContact O-N 2.69Å; G1204-S1206 PolarHBondContact O-N 3.06Å | ||
| 1205 | L | 30.1 | Very low | 32.2 | Very low | 155 Ų | 155 | 109.1 Ų | 109.1 | 81% | 0.812 | 69% | 0.694 | S | S | * | * | trans | -58.1 | 126.8 | 167.4 | -72.9 | 161.1 | 0 | 0 | 0 | 109.3 | L1203 | L1203-L1205 PolarHBondContact O-N 2.74Š| ||
| 1206 | S | 31.4 | Very low | 33.2 | Very low | 69 Ų | 69 | 107 Ų | 107 | 48% | 0.483 | 68% | 0.679 | S | S | . | * | trans | -63.2 | 145.1 | -169.8 | 85.1 | 0 | 0 | 0 | 0 | 112.5 | G1204 S1208 L1209 | G1204-S1206 PolarHBondContact O-N 3.06Å; S1206-S1208 PolarHBondContact O-N 3.39Å; S1206-S1208 PolarHBondContact OG-OG 2.85Å; S1206-L1209 PolarHBondContact O-N 3.42Å | ||
| 1207 | P | 34.5 | Very low | 33.1 | Very low | 99 Ų | 99 | 106 Ų | 106 | 64% | 0.643 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -58.1 | -11.8 | -179.4 | -22.8 | 32.1 | 0 | 0 | 0 | 114.7 | L1209 A1210 N1211 | P1207-L1209 PolarHBondContact O-N 3.18Å; P1207-A1210 PolarHBondContact O-N 2.97Å; P1207-N1211 PolarHBondContact O-N 3.27Å |
| 1208 | S | 35.6 | Very low | 34.2 | Very low | 65 Ų | 65 | 103 Ų | 103 | 46% | 0.455 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -62.7 | -27.6 | 171.5 | 73.3 | 0 | 0 | 0 | 0 | 112.4 | S1206 R1212 | S1206-S1208 PolarHBondContact O-N 3.39Å; S1206-S1208 PolarHBondContact OG-OG 2.85Å; S1208-R1212 VanDerWaalsContact O-CB 3.23Å; S1208-R1212 WeakPolarHBondContact O-CB 3.48Å; S1208-R1212 VanDerWaalsContact O-CG 3.25Å; S1208-R1212 WeakPolarHBondContact O-CG 3.27Å; S1208-R1212 PolarHBondContact O-N 2.86Å |
| 1209 | L | 33.4 | Very low | 35.3 | Very low | 95 Ų | 95 | 104.8 Ų | 104.8 | 50% | 0.497 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -79.1 | -35.1 | 176.5 | -147.3 | 107 | 0 | 0 | 0 | 112 | S1206 P1207 R1212 L1213 | S1206-L1209 PolarHBondContact O-N 3.42Å; P1207-L1209 PolarHBondContact O-N 3.18Å; L1209-R1212 PolarHBondContact O-N 2.7Å; L1209-L1213 HydrophobicContact CD2-CD1 3.89Å; L1209-L1213 VanDerWaalsContact O-CB 3.31Å; L1209-L1213 WeakPolarHBondContact O-CB 3.33Å; L1209-L1213 VanDerWaalsContact O-CG 3.27Å; L1209-L1213 WeakPolarHBondContact O-CG 3.4Å; L1209-L1213 PolarHBondContact O-N 3.08Å |
| 1210 | A | 40.2 | Very low | 36.6 | Very low | 62 Ų | 62 | 101.6 Ų | 101.6 | 51% | 0.512 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67.5 | -42.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | P1207 L1213 S1214 | P1207-A1210 PolarHBondContact O-N 2.97Å; A1210-L1213 PolarHBondContact O-N 3.2Å; A1210-S1214 VanDerWaalsContact O-CB 3.31Å; A1210-S1214 WeakPolarHBondContact O-CB 3.38Å; A1210-S1214 PolarHBondContact O-N 3.27Å |
| 1211 | N | 39.9 | Very low | 37.4 | Very low | 114 Ų | 114 | 97.4 Ų | 97.4 | 61% | 0.61 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -70.3 | -32.8 | 174.3 | -76.2 | -14.3 | 0 | 0 | 0 | 112.4 | P1207 S1215 | P1207-N1211 PolarHBondContact O-N 3.27Å; N1211-S1215 VanDerWaalsContact O-CB 3.31Å; N1211-S1215 WeakPolarHBondContact O-CB 3.5Å; N1211-S1215 PolarHBondContact O-N 2.92Å; N1211-S1215 PolarHBondContact O-OG 2.87Å |
| 1212 | R | 38.1 | Very low | 38.9 | Very low | 184 Ų | 184 | 98.6 Ų | 98.6 | 69% | 0.694 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -71.3 | -32.1 | 171.1 | -80.4 | -178.3 | -178 | -174.7 | 2.5 | 113.1 | S1208 L1209 S1215 S1216 | S1208-R1212 VanDerWaalsContact O-CB 3.23Å; S1208-R1212 WeakPolarHBondContact O-CB 3.48Å; S1208-R1212 VanDerWaalsContact O-CG 3.25Å; S1208-R1212 WeakPolarHBondContact O-CG 3.27Å; S1208-R1212 PolarHBondContact O-N 2.86Å; L1209-R1212 PolarHBondContact O-N 2.7Å; R1212-S1215 WeakPolarHBondContact CA-OG 3.29Å; R1212-S1215 PolarHBondContact O-OG 3.13Å; R1212-S1216 WeakPolarHBondContact O-CA 3.49Å; R1212-S1216 WeakPolarHBondContact O-CB 3.13Å; R1212-S1216 PolarHBondContact O-N 3.49Å |
| 1213 | L | 37.6 | Very low | 40.1 | Very low | 109 Ų | 109 | 99.6 Ų | 99.6 | 57% | 0.571 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -76.5 | -37.8 | 175.2 | -76 | 169.4 | 0 | 0 | 0 | 111.6 | L1209 A1210 L1217 | L1209-L1213 HydrophobicContact CD2-CD1 3.89Å; L1209-L1213 VanDerWaalsContact O-CB 3.31Å; L1209-L1213 WeakPolarHBondContact O-CB 3.33Å; L1209-L1213 VanDerWaalsContact O-CG 3.27Å; L1209-L1213 WeakPolarHBondContact O-CG 3.4Å; L1209-L1213 PolarHBondContact O-N 3.08Å; A1210-L1213 PolarHBondContact O-N 3.2Å; L1213-L1217 WeakPolarHBondContact O-CB 3.21Å; L1213-L1217 PolarHBondContact O-N 3.49Å |
| 1214 | S | 42.2 | Very low | 41 | Very low | 76 Ų | 76 | 95.6 Ų | 95.6 | 53% | 0.531 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.9 | -49.7 | 172.6 | 164.9 | 0 | 0 | 0 | 0 | 111.5 | A1210 L1217 A1218 | A1210-S1214 VanDerWaalsContact O-CB 3.31Å; A1210-S1214 WeakPolarHBondContact O-CB 3.38Å; A1210-S1214 PolarHBondContact O-N 3.27Å; S1214-L1217 PolarHBondContact O-N 3.44Å; S1214-A1218 VanDerWaalsContact O-CB 3.32Å; S1214-A1218 WeakPolarHBondContact O-CB 3.46Å; S1214-A1218 PolarHBondContact O-N 3.31Å |
| 1215 | S | 42.9 | Very low | 41.7 | Very low | 65 Ų | 65 | 96.8 Ų | 96.8 | 46% | 0.455 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.5 | -40.1 | 176.3 | 54.7 | 0 | 0 | 0 | 0 | 112.3 | N1211 R1212 L1217 A1218 E1219 | N1211-S1215 VanDerWaalsContact O-CB 3.31Å; N1211-S1215 WeakPolarHBondContact O-CB 3.5Å; N1211-S1215 PolarHBondContact O-N 2.92Å; N1211-S1215 PolarHBondContact O-OG 2.87Å; R1212-S1215 WeakPolarHBondContact CA-OG 3.29Å; R1212-S1215 PolarHBondContact O-OG 3.13Å; S1215-L1217 VanDerWaalsContact C-N 3.35Å; S1215-L1217 PolarHBondContact O-N 3.02Å; S1215-A1218 PolarHBondContact O-N 3.23Å; S1215-E1219 WeakPolarHBondContact O-CA 3.08Å; S1215-E1219 WeakPolarHBondContact O-CB 3.39Å; S1215-E1219 PolarHBondContact O-N 3.42Å |
| 1216 | S | 44.5 | Very low | 42.3 | Very low | 66 Ų | 66 | 92.4 Ų | 92.4 | 46% | 0.462 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.2 | -33.7 | 175.3 | -176.6 | 0 | 0 | 0 | 0 | 112.3 | R1212 A1220 | R1212-S1216 WeakPolarHBondContact O-CA 3.49Å; R1212-S1216 WeakPolarHBondContact O-CB 3.13Å; R1212-S1216 PolarHBondContact O-N 3.49Å; S1216-A1220 WeakPolarHBondContact O-CA 3.18Å; S1216-A1220 WeakPolarHBondContact O-CB 3.38Å; S1216-A1220 PolarHBondContact O-N 2.89Å |
| 1217 | L | 42 | Very low | 42.7 | Very low | 108 Ų | 108 | 97.7 Ų | 97.7 | 57% | 0.565 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -73.2 | -43.2 | 175.6 | -173.7 | 67.2 | 0 | 0 | 0 | 111.3 | L1213 S1214 S1215 E1219 A1220 Q1221 | L1213-L1217 WeakPolarHBondContact O-CB 3.21Å; L1213-L1217 PolarHBondContact O-N 3.49Å; S1214-L1217 PolarHBondContact O-N 3.44Å; S1215-L1217 VanDerWaalsContact C-N 3.35Å; S1215-L1217 PolarHBondContact O-N 3.02Å; L1217-E1219 VanDerWaalsContact C-N 3.34Å; L1217-A1220 PolarHBondContact O-N 3.14Å; L1217-Q1221 VanDerWaalsContact O-CB 3.3Å; L1217-Q1221 WeakPolarHBondContact O-CB 3.32Å; L1217-Q1221 VanDerWaalsContact O-CG 3.32Å; L1217-Q1221 WeakPolarHBondContact O-CG 3.44Å; L1217-Q1221 PolarHBondContact O-N 3.04Å |
| 1218 | A | 47.9 | Very low | 43 | Very low | 44 Ų | 44 | 96.5 Ų | 96.5 | 36% | 0.364 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.8 | -39.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | S1214 S1215 N1222 | S1214-A1218 VanDerWaalsContact O-CB 3.32Å; S1214-A1218 WeakPolarHBondContact O-CB 3.46Å; S1214-A1218 PolarHBondContact O-N 3.31Å; S1215-A1218 PolarHBondContact O-N 3.23Å; A1218-N1222 VanDerWaalsContact O-CB 3.23Å; A1218-N1222 WeakPolarHBondContact O-CB 3.48Å; A1218-N1222 VanDerWaalsContact O-CG 3.27Å; A1218-N1222 PolarHBondContact O-N 3.18Å; A1218-N1222 PolarHBondContact O-ND2 3.18Å |
| 1219 | E | 51.4 | Low | 43.2 | Very low | 125 Ų | 125 | 97 Ų | 97 | 58% | 0.584 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -73.2 | -33.8 | 177.2 | -160.8 | 175.8 | -147.4 | 0 | 0 | 111.5 | S1215 L1217 K1223 | S1215-E1219 WeakPolarHBondContact O-CA 3.08Å; S1215-E1219 WeakPolarHBondContact O-CB 3.39Å; S1215-E1219 PolarHBondContact O-N 3.42Å; L1217-E1219 VanDerWaalsContact C-N 3.34Å; E1219-K1223 VanDerWaalsContact O-CB 3.25Å; E1219-K1223 WeakPolarHBondContact O-CB 3.16Å; E1219-K1223 PolarHBondContact O-N 2.87Å |
| 1220 | A | 49.3 | Very low | 43.6 | Very low | 47 Ų | 47 | 94.7 Ų | 94.7 | 39% | 0.388 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.1 | -42.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S1216 L1217 K1223 V1224 | S1216-A1220 WeakPolarHBondContact O-CA 3.18Å; S1216-A1220 WeakPolarHBondContact O-CB 3.38Å; S1216-A1220 PolarHBondContact O-N 2.89Å; L1217-A1220 PolarHBondContact O-N 3.14Å; A1220-K1223 PolarHBondContact O-N 2.95Å; A1220-V1224 WeakPolarHBondContact O-CB 3.3Å; A1220-V1224 VanDerWaalsContact O-CG2 3.23Å; A1220-V1224 WeakPolarHBondContact O-CG2 3.44Å; A1220-V1224 PolarHBondContact O-N 3.47Å |
| 1221 | Q | 44.8 | Very low | 43.4 | Very low | 118 Ų | 118 | 97.2 Ų | 97.2 | 55% | 0.551 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.4 | -44.4 | 172.9 | -79.4 | -179.9 | -23.6 | 0 | 0 | 110.5 | L1217 V1224 L1225 | L1217-Q1221 VanDerWaalsContact O-CB 3.3Å; L1217-Q1221 WeakPolarHBondContact O-CB 3.32Å; L1217-Q1221 VanDerWaalsContact O-CG 3.32Å; L1217-Q1221 WeakPolarHBondContact O-CG 3.44Å; L1217-Q1221 PolarHBondContact O-N 3.04Å; Q1221-V1224 PolarHBondContact O-N 3.37Å; Q1221-L1225 WeakPolarHBondContact O-CB 3.24Å; Q1221-L1225 PolarHBondContact O-N 3.46Å |
| 1222 | N | 53.5 | Low | 43.4 | Very low | 108 Ų | 108 | 99.1 Ų | 99.1 | 58% | 0.578 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -69.9 | -29.3 | 175 | -75.4 | -30.1 | 0 | 0 | 0 | 112.7 | A1218 S1226 | A1218-N1222 VanDerWaalsContact O-CB 3.23Å; A1218-N1222 WeakPolarHBondContact O-CB 3.48Å; A1218-N1222 VanDerWaalsContact O-CG 3.27Å; A1218-N1222 PolarHBondContact O-N 3.18Å; A1218-N1222 PolarHBondContact O-ND2 3.18Å; N1222-S1226 WeakPolarHBondContact O-CA 3.45Å; N1222-S1226 WeakPolarHBondContact O-CB 3.32Å; N1222-S1226 PolarHBondContact O-N 3.03Å; N1222-S1226 PolarHBondContact O-OG 3.04Å |
| 1223 | K | 49.9 | Very low | 43.4 | Very low | 132 Ų | 132 | 101.2 Ų | 101.2 | 57% | 0.574 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -72.8 | -34.8 | 171.2 | -109.7 | 173.5 | 178 | 161.3 | 0 | 112.3 | E1219 A1220 S1226 R1227 | E1219-K1223 VanDerWaalsContact O-CB 3.25Å; E1219-K1223 WeakPolarHBondContact O-CB 3.16Å; E1219-K1223 PolarHBondContact O-N 2.87Å; A1220-K1223 PolarHBondContact O-N 2.95Å; K1223-S1226 WeakPolarHBondContact CA-OG 3.36Å; K1223-S1226 PolarHBondContact O-OG 2.66Å; K1223-R1227 WeakPolarHBondContact O-CB 3.46Å; K1223-R1227 VanDerWaalsContact O-CG 3.3Å; K1223-R1227 WeakPolarHBondContact O-CG 3.45Å; K1223-R1227 PolarHBondContact O-N 2.8Å |
| 1224 | V | 45.6 | Very low | 43.5 | Very low | 91 Ų | 91 | 100.5 Ų | 100.5 | 55% | 0.552 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -72.2 | -47.8 | 174.6 | 171.8 | 0 | 0 | 0 | 0 | 109.3 | A1220 Q1221 S1226 R1227 V1228 | A1220-V1224 WeakPolarHBondContact O-CB 3.3Å; A1220-V1224 VanDerWaalsContact O-CG2 3.23Å; A1220-V1224 WeakPolarHBondContact O-CG2 3.44Å; A1220-V1224 PolarHBondContact O-N 3.47Å; Q1221-V1224 PolarHBondContact O-N 3.37Å; V1224-S1226 PolarHBondContact O-N 3.1Å; V1224-R1227 CarbonylContact O-C 3.54Å; V1224-R1227 PolarHBondContact O-N 3.31Å; V1224-V1228 HydrophobicContact CG1-CG2 4.45Å; V1224-V1228 WeakPolarHBondContact O-CB 3.44Å; V1224-V1228 VanDerWaalsContact O-CG2 3.22Å; V1224-V1228 WeakPolarHBondContact O-CG2 3.46Å; V1224-V1228 PolarHBondContact O-N 2.61Å |
| 1225 | L | 41 | Very low | 43.3 | Very low | 101 Ų | 101 | 99.8 Ų | 99.8 | 53% | 0.529 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.9 | -40.8 | 175.1 | -111 | 81.9 | 0 | 0 | 0 | 112 | Q1221 V1228 N1229 | Q1221-L1225 WeakPolarHBondContact O-CB 3.24Å; Q1221-L1225 PolarHBondContact O-N 3.46Å; L1225-V1228 PolarHBondContact O-N 3.44Å; L1225-N1229 WeakPolarHBondContact O-CB 3.21Å; L1225-N1229 PolarHBondContact O-N 3.08Å; L1225-N1229 PolarHBondContact O-ND2 3.39Å |
| 1226 | S | 42.8 | Very low | 43.2 | Very low | 62 Ų | 62 | 99.6 Ų | 99.6 | 43% | 0.434 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -72.8 | -29.2 | 175.5 | 65.7 | 0 | 0 | 0 | 0 | 112.3 | N1222 K1223 V1224 A1230 | N1222-S1226 WeakPolarHBondContact O-CA 3.45Å; N1222-S1226 WeakPolarHBondContact O-CB 3.32Å; N1222-S1226 PolarHBondContact O-N 3.03Å; N1222-S1226 PolarHBondContact O-OG 3.04Å; K1223-S1226 WeakPolarHBondContact CA-OG 3.36Å; K1223-S1226 PolarHBondContact O-OG 2.66Å; V1224-S1226 PolarHBondContact O-N 3.1Å; S1226-A1230 WeakPolarHBondContact O-CA 3.43Å; S1226-A1230 WeakPolarHBondContact O-CB 3.33Å; S1226-A1230 PolarHBondContact O-N 3.26Å |
| 1227 | R | 38.9 | Very low | 42.9 | Very low | 180 Ų | 180 | 99.1 Ų | 99.1 | 68% | 0.679 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -71.9 | -36.1 | 168.7 | -85.9 | -179.1 | 166.5 | 172 | -3.3 | 112.1 | K1223 V1224 L1231 | K1223-R1227 WeakPolarHBondContact O-CB 3.46Å; K1223-R1227 VanDerWaalsContact O-CG 3.3Å; K1223-R1227 WeakPolarHBondContact O-CG 3.45Å; K1223-R1227 PolarHBondContact O-N 2.8Å; V1224-R1227 CarbonylContact O-C 3.54Å; V1224-R1227 PolarHBondContact O-N 3.31Å; R1227-L1231 WeakPolarHBondContact O-CA 3.48Å; R1227-L1231 WeakPolarHBondContact O-CB 3.29Å; R1227-L1231 WeakPolarHBondContact O-CD1 3.44Å; R1227-L1231 WeakPolarHBondContact O-CG 3.4Å; R1227-L1231 PolarHBondContact O-N 3.43Å |
| 1228 | V | 41.3 | Very low | 42.5 | Very low | 75 Ų | 75 | 100.8 Ų | 100.8 | 46% | 0.455 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.7 | -43.8 | 173.4 | 170.9 | 0 | 0 | 0 | 0 | 109.7 | V1224 L1225 L1231 Q1232 | V1224-V1228 HydrophobicContact CG1-CG2 4.45Å; V1224-V1228 WeakPolarHBondContact O-CB 3.44Å; V1224-V1228 VanDerWaalsContact O-CG2 3.22Å; V1224-V1228 WeakPolarHBondContact O-CG2 3.46Å; V1224-V1228 PolarHBondContact O-N 2.61Å; L1225-V1228 PolarHBondContact O-N 3.44Å; V1228-L1231 PolarHBondContact O-N 3.3Å; V1228-Q1232 WeakPolarHBondContact O-CB 3.26Å; V1228-Q1232 WeakPolarHBondContact O-CG 3.15Å; V1228-Q1232 PolarHBondContact O-N 3.41Å |
| 1229 | N | 40.4 | Very low | 42 | Very low | 76 Ų | 76 | 101.5 Ų | 101.5 | 41% | 0.406 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -71.9 | -33.7 | 177 | -72.4 | -18.3 | 0 | 0 | 0 | 112.8 | L1225 Q1232 R1233 | L1225-N1229 WeakPolarHBondContact O-CB 3.21Å; L1225-N1229 PolarHBondContact O-N 3.08Å; L1225-N1229 PolarHBondContact O-ND2 3.39Å; N1229-Q1232 CarbonylContact O-C 3.56Å; N1229-Q1232 PolarHBondContact O-N 3.14Å; N1229-Q1232 PolarHBondContact OD1-OE1 3.15Å; N1229-R1233 WeakPolarHBondContact O-CB 3.44Å; N1229-R1233 WeakPolarHBondContact O-CG 3.25Å; N1229-R1233 PolarHBondContact O-N 2.79Å |
| 1230 | A | 40.6 | Very low | 41.4 | Very low | 46 Ų | 46 | 105 Ų | 105 | 38% | 0.38 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -77.1 | -31.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | S1226 Q1232 R1233 S1234 | S1226-A1230 WeakPolarHBondContact O-CA 3.43Å; S1226-A1230 WeakPolarHBondContact O-CB 3.33Å; S1226-A1230 PolarHBondContact O-N 3.26Å; A1230-Q1232 VanDerWaalsContact C-N 3.28Å; A1230-R1233 PolarHBondContact O-N 3.48Å; A1230-S1234 WeakPolarHBondContact O-CB 3.49Å; A1230-S1234 PolarHBondContact O-N 3.34Å; A1230-S1234 PolarHBondContact O-OG 3.4Å |
| 1231 | L | 37.3 | Very low | 40.8 | Very low | 115 Ų | 115 | 106.9 Ų | 106.9 | 60% | 0.602 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.4 | -34.5 | 167.9 | -78.2 | 164.6 | 0 | 0 | 0 | 110.6 | R1227 V1228 S1235 | R1227-L1231 WeakPolarHBondContact O-CA 3.48Å; R1227-L1231 WeakPolarHBondContact O-CB 3.29Å; R1227-L1231 WeakPolarHBondContact O-CD1 3.44Å; R1227-L1231 WeakPolarHBondContact O-CG 3.4Å; R1227-L1231 PolarHBondContact O-N 3.43Å; V1228-L1231 PolarHBondContact O-N 3.3Å; L1231-S1235 PolarHBondContact O-OG 3.04Å |
| 1232 | Q | 40.2 | Very low | 40.2 | Very low | 154 Ų | 154 | 108.3 Ų | 108.3 | 72% | 0.72 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -71.8 | -28.2 | 170.7 | -83.4 | -178.8 | -31.6 | 0 | 0 | 113.7 | V1228 N1229 A1230 | V1228-Q1232 WeakPolarHBondContact O-CB 3.26Å; V1228-Q1232 WeakPolarHBondContact O-CG 3.15Å; V1228-Q1232 PolarHBondContact O-N 3.41Å; N1229-Q1232 CarbonylContact O-C 3.56Å; N1229-Q1232 PolarHBondContact O-N 3.14Å; N1229-Q1232 PolarHBondContact OD1-OE1 3.15Å; A1230-Q1232 VanDerWaalsContact C-N 3.28Å |
| 1233 | R | 38.2 | Very low | 39.7 | Very low | 227 Ų | 227 | 107.2 Ų | 107.2 | 86% | 0.857 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -100.8 | -19.6 | -177.6 | -71.2 | -175.6 | -171.4 | -173.1 | 3 | 116.2 | N1229 A1230 | N1229-R1233 WeakPolarHBondContact O-CB 3.44Å; N1229-R1233 WeakPolarHBondContact O-CG 3.25Å; N1229-R1233 PolarHBondContact O-N 2.79Å; A1230-R1233 PolarHBondContact O-N 3.48Å |
| 1234 | S | 39.7 | Very low | 39.3 | Very low | 94 Ų | 94 | 105.6 Ų | 105.6 | 66% | 0.657 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -123.6 | 3.2 | -171.5 | 68.2 | 0 | 0 | 0 | 0 | 116.4 | A1230 G1236 | A1230-S1234 WeakPolarHBondContact O-CB 3.49Å; A1230-S1234 PolarHBondContact O-N 3.34Å; A1230-S1234 PolarHBondContact O-OG 3.4Å; S1234-G1236 PolarHBondContact O-N 2.89Å; S1234-G1236 VanDerWaalsContact O-N 3.15Å |
| 1235 | S | 37.1 | Very low | 39 | Very low | 62 Ų | 62 | 104.3 Ų | 104.3 | 43% | 0.434 | 56% | 0.559 | S | S | . | * | trans | -88.8 | 77.4 | 168.7 | 62.6 | 0 | 0 | 0 | 0 | 111.1 | L1231 G1237 F1238 | L1231-S1235 PolarHBondContact O-OG 3.04Å; S1235-G1237 PolarHBondContact O-N 2.96Å; S1235-F1238 PolarHBondContact O-N 3.4Å | ||
| 1236 | G | 40 | Very low | 38.8 | Very low | 60 Ų | 60 | 102 Ų | 102 | 62% | 0.619 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -56.9 | 7.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | S1234 | S1234-G1236 PolarHBondContact O-N 2.89Å; S1234-G1236 VanDerWaalsContact O-N 3.15Å |
| 1237 | G | 39 | Very low | 38.7 | Very low | 56 Ų | 56 | 101.6 Ų | 101.6 | 58% | 0.577 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -79 | -30.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1235 L1241 | S1235-G1237 PolarHBondContact O-N 2.96Å; G1237-L1241 PolarHBondContact O-N 3.43Å |
| 1238 | F | 34.5 | Very low | 38.8 | Very low | 143 Ų | 143 | 96.7 Ų | 96.7 | 63% | 0.627 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -82.5 | -21.3 | -179.5 | -130.3 | -88.8 | 0 | 0 | 0 | 112.8 | S1235 R1240 L1241 K1242 | S1235-F1238 PolarHBondContact O-N 3.4Å; F1238-R1240 VanDerWaalsContact C-N 3.35Å; F1238-L1241 HydrophobicContact CE1-CD2 4.05Å; F1238-L1241 HydrophobicContact CE2-CD2 4.05Å; F1238-L1241 HydrophobicContact CZ-CD2 3.78Å; F1238-L1241 CarbonylContact O-C 3.52Å; F1238-L1241 PolarHBondContact O-N 3.17Å; F1238-K1242 WeakPolarHBondContact O-CB 3.29Å; F1238-K1242 PolarHBondContact O-N 3.37Å |
| 1239 | A | 37.2 | Very low | 38.6 | Very low | 60 Ų | 60 | 96.9 Ų | 96.9 | 50% | 0.496 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.5 | -36.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K1242 T1243 | A1239-K1242 CarbonylContact O-C 3.51Å; A1239-K1242 PolarHBondContact O-N 3.46Å; A1239-T1243 PolarHBondContact O-N 3.03Å; A1239-T1243 PolarHBondContact O-OG1 3.36Å; A1239-T1243 VanDerWaalsContact O-OG1 3.13Å |
| 1240 | R | 38.2 | Very low | 38.3 | Very low | 197 Ų | 197 | 97.8 Ų | 97.8 | 74% | 0.743 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -68.1 | -35.3 | 171.5 | -104 | -178.3 | 172.7 | 175.8 | -1.8 | 112.6 | F1238 K1242 T1243 N1244 | F1238-R1240 VanDerWaalsContact C-N 3.35Å; R1240-K1242 VanDerWaalsContact C-N 3.35Å; R1240-T1243 WeakPolarHBondContact CA-OG1 3.14Å; R1240-T1243 PolarHBondContact O-OG1 3.45Å; R1240-T1243 VanDerWaalsContact O-OG1 3.14Å; R1240-N1244 WeakPolarHBondContact O-CB 3.35Å; R1240-N1244 PolarHBondContact O-N 2.99Å |
| 1241 | L | 36.6 | Very low | 38.3 | Very low | 87 Ų | 87 | 100.3 Ų | 100.3 | 46% | 0.455 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -70.4 | -34.4 | 172.6 | -164.6 | 66.9 | 0 | 0 | 0 | 111.2 | G1237 F1238 V1245 | G1237-L1241 PolarHBondContact O-N 3.43Å; F1238-L1241 HydrophobicContact CE1-CD2 4.05Å; F1238-L1241 HydrophobicContact CE2-CD2 4.05Å; F1238-L1241 HydrophobicContact CZ-CD2 3.78Å; F1238-L1241 CarbonylContact O-C 3.52Å; F1238-L1241 PolarHBondContact O-N 3.17Å; L1241-V1245 HydrophobicContact CD1-CG2 4.37Å; L1241-V1245 HydrophobicContact CG-CG2 4.18Å; L1241-V1245 WeakPolarHBondContact O-CA 3.34Å; L1241-V1245 WeakPolarHBondContact O-CB 3.46Å; L1241-V1245 WeakPolarHBondContact O-CG2 3.45Å; L1241-V1245 PolarHBondContact O-N 2.87Å |
| 1242 | K | 33.2 | Very low | 38.3 | Very low | 148 Ų | 148 | 99.8 Ų | 99.8 | 64% | 0.643 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -75.6 | -32.3 | 176.6 | -145.8 | 178.1 | -173.7 | -176.8 | 0 | 112.3 | F1238 A1239 R1240 S1246 | F1238-K1242 WeakPolarHBondContact O-CB 3.29Å; F1238-K1242 PolarHBondContact O-N 3.37Å; A1239-K1242 CarbonylContact O-C 3.51Å; A1239-K1242 PolarHBondContact O-N 3.46Å; R1240-K1242 VanDerWaalsContact C-N 3.35Å; K1242-S1246 WeakPolarHBondContact O-CA 3.23Å; K1242-S1246 WeakPolarHBondContact O-CB 3.44Å; K1242-S1246 PolarHBondContact O-N 3.12Å; K1242-S1246 PolarHBondContact O-OG 2.93Å |
| 1243 | T | 43 | Very low | 38 | Very low | 85 Ų | 85 | 99.5 Ų | 99.5 | 52% | 0.521 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -71.4 | -37 | 170.8 | 49.8 | 0 | 0 | 0 | 0 | 111.7 | A1239 R1240 S1247 | A1239-T1243 PolarHBondContact O-N 3.03Å; A1239-T1243 PolarHBondContact O-OG1 3.36Å; A1239-T1243 VanDerWaalsContact O-OG1 3.13Å; R1240-T1243 WeakPolarHBondContact CA-OG1 3.14Å; R1240-T1243 PolarHBondContact O-OG1 3.45Å; R1240-T1243 VanDerWaalsContact O-OG1 3.14Å; T1243-S1247 WeakPolarHBondContact O-CB 3.41Å; T1243-S1247 PolarHBondContact O-N 2.86Å |
| 1244 | N | 39.8 | Very low | 37.8 | Very low | 99 Ų | 99 | 96.6 Ų | 96.6 | 53% | 0.529 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -74 | -34.8 | 175.1 | -71.5 | 2.3 | 0 | 0 | 0 | 111.8 | R1240 S1247 V1248 | R1240-N1244 WeakPolarHBondContact O-CB 3.35Å; R1240-N1244 PolarHBondContact O-N 2.99Å; N1244-S1247 PolarHBondContact O-OG 2.82Å; N1244-V1248 VanDerWaalsContact O-CB 3.31Å; N1244-V1248 WeakPolarHBondContact O-CB 3.42Å; N1244-V1248 WeakPolarHBondContact O-CG2 3.35Å; N1244-V1248 PolarHBondContact O-N 3.3Å |
| 1245 | V | 40.1 | Very low | 37.3 | Very low | 63 Ų | 63 | 98 Ų | 98 | 38% | 0.382 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -75.9 | -30 | 174.1 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | L1241 I1249 | L1241-V1245 HydrophobicContact CD1-CG2 4.37Å; L1241-V1245 HydrophobicContact CG-CG2 4.18Å; L1241-V1245 WeakPolarHBondContact O-CA 3.34Å; L1241-V1245 WeakPolarHBondContact O-CB 3.46Å; L1241-V1245 WeakPolarHBondContact O-CG2 3.45Å; L1241-V1245 PolarHBondContact O-N 2.87Å; V1245-I1249 HydrophobicContact CG1-CD1 3.5Å; V1245-I1249 HydrophobicContact CG1-CG1 4.05Å; V1245-I1249 WeakPolarHBondContact O-CA 3.31Å; V1245-I1249 WeakPolarHBondContact O-CB 3.34Å; V1245-I1249 WeakPolarHBondContact O-CG1 3.34Å; V1245-I1249 PolarHBondContact O-N 2.8Å |
| 1246 | S | 36.8 | Very low | 36.8 | Very low | 52 Ų | 52 | 103.8 Ų | 103.8 | 36% | 0.364 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -76.8 | -29.4 | 171.2 | -71.9 | 0 | 0 | 0 | 0 | 112.4 | K1242 N1250 | K1242-S1246 WeakPolarHBondContact O-CA 3.23Å; K1242-S1246 WeakPolarHBondContact O-CB 3.44Å; K1242-S1246 PolarHBondContact O-N 3.12Å; K1242-S1246 PolarHBondContact O-OG 2.93Å; S1246-N1250 WeakPolarHBondContact O-CB 3.26Å; S1246-N1250 PolarHBondContact O-N 2.82Å; S1246-N1250 PolarHBondContact O-ND2 3.24Å |
| 1247 | S | 40.1 | Very low | 36.4 | Very low | 55 Ų | 55 | 103.7 Ų | 103.7 | 39% | 0.385 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68 | -45.7 | 167.2 | 106.9 | 0 | 0 | 0 | 0 | 109.3 | T1243 N1244 I1249 N1250 D1251 | T1243-S1247 WeakPolarHBondContact O-CB 3.41Å; T1243-S1247 PolarHBondContact O-N 2.86Å; N1244-S1247 PolarHBondContact O-OG 2.82Å; S1247-I1249 VanDerWaalsContact C-N 3.34Å; S1247-I1249 PolarHBondContact O-N 3.1Å; S1247-N1250 PolarHBondContact O-N 2.99Å; S1247-D1251 VanDerWaalsContact O-CB 3.27Å; S1247-D1251 WeakPolarHBondContact O-CB 3.36Å; S1247-D1251 PolarHBondContact O-N 3.33Å |
| 1248 | V | 40.9 | Very low | 35.8 | Very low | 77 Ų | 77 | 108.9 Ų | 108.9 | 47% | 0.467 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65 | -35.7 | 176.3 | 172 | 0 | 0 | 0 | 0 | 111.9 | N1244 I1252 | N1244-V1248 VanDerWaalsContact O-CB 3.31Å; N1244-V1248 WeakPolarHBondContact O-CB 3.42Å; N1244-V1248 WeakPolarHBondContact O-CG2 3.35Å; N1244-V1248 PolarHBondContact O-N 3.3Å; V1248-I1252 HydrophobicContact CG1-CD1 3.66Å; V1248-I1252 HydrophobicContact CG1-CG1 4.38Å; V1248-I1252 VanDerWaalsContact O-CB 3.25Å; V1248-I1252 WeakPolarHBondContact O-CB 3.44Å; V1248-I1252 WeakPolarHBondContact O-CD1 3.43Å; V1248-I1252 WeakPolarHBondContact O-CG1 3.38Å; V1248-I1252 PolarHBondContact O-N 2.87Å |
| 1249 | I | 37.1 | Very low | 35.6 | Very low | 78 Ų | 78 | 108.9 Ų | 108.9 | 40% | 0.4 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -75.9 | -33.3 | 176.4 | -72.1 | 170.6 | 0 | 0 | 0 | 111.4 | V1245 S1247 I1252 K1253 | V1245-I1249 HydrophobicContact CG1-CD1 3.5Å; V1245-I1249 HydrophobicContact CG1-CG1 4.05Å; V1245-I1249 WeakPolarHBondContact O-CA 3.31Å; V1245-I1249 WeakPolarHBondContact O-CB 3.34Å; V1245-I1249 WeakPolarHBondContact O-CG1 3.34Å; V1245-I1249 PolarHBondContact O-N 2.8Å; S1247-I1249 VanDerWaalsContact C-N 3.34Å; S1247-I1249 PolarHBondContact O-N 3.1Å; I1249-I1252 PolarHBondContact O-N 3.42Å; I1249-K1253 WeakPolarHBondContact O-CB 3.43Å; I1249-K1253 WeakPolarHBondContact O-CG 3.24Å; I1249-K1253 PolarHBondContact O-N 3.41Å |
| 1250 | N | 35.9 | Very low | 35.2 | Very low | 95 Ų | 95 | 114.4 Ų | 114.4 | 51% | 0.508 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -73.2 | -35 | 173.2 | -74.6 | -12.3 | 0 | 0 | 0 | 111.3 | S1246 S1247 I1252 K1253 H1254 | S1246-N1250 WeakPolarHBondContact O-CB 3.26Å; S1246-N1250 PolarHBondContact O-N 2.82Å; S1246-N1250 PolarHBondContact O-ND2 3.24Å; S1247-N1250 PolarHBondContact O-N 2.99Å; N1250-I1252 VanDerWaalsContact C-N 3.34Å; N1250-K1253 PolarHBondContact O-N 3.31Å; N1250-H1254 PolarHBondContact O-N 3.46Å |
| 1251 | D | 40.2 | Very low | 34.7 | Very low | 99 Ų | 99 | 112.5 Ų | 112.5 | 53% | 0.529 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.6 | -36.7 | 171.7 | -64.8 | -21.5 | 0 | 0 | 0 | 110.5 | S1247 H1254 L1255 | S1247-D1251 VanDerWaalsContact O-CB 3.27Å; S1247-D1251 WeakPolarHBondContact O-CB 3.36Å; S1247-D1251 PolarHBondContact O-N 3.33Å; D1251-H1254 PolarHBondContact O-N 3.01Å; D1251-L1255 PolarHBondContact O-N 3.23Å; D1251-L1255 VanDerWaalsContact O-N 3.14Å |
| 1252 | I | 36.9 | Very low | 34.2 | Very low | 105 Ų | 105 | 111.6 Ų | 111.6 | 54% | 0.538 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -70.9 | -32.8 | 172.8 | -70.8 | 165.1 | 0 | 0 | 0 | 111.7 | V1248 I1249 N1250 H1254 L1255 | V1248-I1252 HydrophobicContact CG1-CD1 3.66Å; V1248-I1252 HydrophobicContact CG1-CG1 4.38Å; V1248-I1252 VanDerWaalsContact O-CB 3.25Å; V1248-I1252 WeakPolarHBondContact O-CB 3.44Å; V1248-I1252 WeakPolarHBondContact O-CD1 3.43Å; V1248-I1252 WeakPolarHBondContact O-CG1 3.38Å; V1248-I1252 PolarHBondContact O-N 2.87Å; I1249-I1252 PolarHBondContact O-N 3.42Å; N1250-I1252 VanDerWaalsContact C-N 3.34Å; I1252-H1254 VanDerWaalsContact C-N 3.35Å; I1252-L1255 PolarHBondContact O-N 3.39Å |
| 1253 | K | 33.2 | Very low | 33.9 | Very low | 147 Ų | 147 | 110 Ų | 110 | 64% | 0.639 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -72.8 | -27.9 | 173 | -79.3 | -176.1 | 177.3 | -175.6 | 0 | 112.5 | I1249 N1250 L1255 | I1249-K1253 WeakPolarHBondContact O-CB 3.43Å; I1249-K1253 WeakPolarHBondContact O-CG 3.24Å; I1249-K1253 PolarHBondContact O-N 3.41Å; N1250-K1253 PolarHBondContact O-N 3.31Å; K1253-L1255 VanDerWaalsContact C-N 3.33Å |
| 1254 | H | 34.2 | Very low | 33.1 | Very low | 167 Ų | 167 | 114.6 Ų | 114.6 | 77% | 0.773 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -82.4 | -5.4 | 171.9 | -100.6 | -76.7 | 0 | 0 | 0 | 114.5 | N1250 D1251 I1252 K1256 | N1250-H1254 PolarHBondContact O-N 3.46Å; D1251-H1254 PolarHBondContact O-N 3.01Å; I1252-H1254 VanDerWaalsContact C-N 3.35Å; H1254-K1256 PolarHBondContact O-N 3.19Å |
| 1255 | L | 28.7 | Very low | 32.5 | Very low | 124 Ų | 124 | 116.6 Ų | 116.6 | 65% | 0.649 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | 12 | 170.5 | -82.4 | 161.6 | 0 | 0 | 0 | 114.3 | D1251 I1252 K1253 G1257 | D1251-L1255 PolarHBondContact O-N 3.23Å; D1251-L1255 VanDerWaalsContact O-N 3.14Å; I1252-L1255 PolarHBondContact O-N 3.39Å; K1253-L1255 VanDerWaalsContact C-N 3.33Å; L1255-G1257 PolarHBondContact O-N 3.18Å |
| 1256 | K | 28.4 | Very low | 31.6 | Very low | 183 Ų | 183 | 125.8 Ų | 125.8 | 80% | 0.796 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 32.6 | 160.8 | -78 | -167.2 | 171.4 | -169.5 | 0 | 113.4 | H1254 | H1254-K1256 PolarHBondContact O-N 3.19Š|
| 1257 | G | 29.7 | Very low | 31 | Very low | 58 Ų | 58 | 125.7 Ų | 125.7 | 60% | 0.598 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | 2.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L1255 | L1255-G1257 PolarHBondContact O-N 3.18Š|
| 1258 | F | 26.4 | Very low | 30.2 | Very low | 164 Ų | 164 | 128.1 Ų | 128.1 | 72% | 0.719 | 68% | 0.683 | S | S | * | * | trans | -104.8 | 2.2 | -177.4 | -98.2 | -81.4 | 0 | 0 | 0 | 115.9 | Q1260 | F1258-Q1260 PolarHBondContact O-N 3.08Š| ||
| 1259 | D | 31.2 | Very low | 29.3 | Very low | 143 Ų | 143 | 136.4 Ų | 136.4 | 77% | 0.765 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | 3.6 | 171.9 | -79.1 | -23.2 | 0 | 0 | 0 | 113.7 | ||
| 1260 | Q | 29.4 | Very low | 28.7 | Very low | 177 Ų | 177 | 136.8 Ų | 136.8 | 83% | 0.827 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | 11.8 | 174.3 | -76.3 | -168.9 | -3 | 0 | 0 | 115.5 | F1258 | F1258-Q1260 PolarHBondContact O-N 3.08Š|
| 1261 | L | 26.3 | Very low | 28 | Very low | 156 Ų | 156 | 137.4 Ų | 137.4 | 82% | 0.817 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -115.6 | 19.3 | 166.9 | -116.1 | 88.1 | 0 | 0 | 0 | 114.2 | ||
| 1262 | G | 27.1 | Very low | 27.2 | Very low | 68 Ų | 68 | 137.4 Ų | 137.4 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -96.4 | -6.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1263 | T | 27.1 | Very low | 26.6 | Very low | 115 Ų | 115 | 136.7 Ų | 136.7 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -106.4 | 8.1 | -167.6 | 45.2 | 0 | 0 | 0 | 0 | 116.6 | ||
| 1264 | H | 25.4 | Very low | 26.1 | Very low | 181 Ų | 181 | 136.8 Ų | 136.8 | 84% | 0.838 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -122.6 | 37 | 179.7 | -96.3 | -69.5 | 0 | 0 | 0 | 116.3 | ||
| 1265 | V | 27.2 | Very low | 25.5 | Very low | 141 Ų | 141 | 139.4 Ų | 139.4 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | trans | -147.9 | 57.5 | 153.1 | -163 | 0 | 0 | 0 | 0 | 111 | G1267 | V1265-G1267 PolarHBondContact O-N 3.31Š| ||
| 1266 | R | 22.4 | Very low | 25.3 | Very low | 256 Ų | 256 | 142.4 Ų | 142.4 | 97% | 0.966 | 77% | 0.773 | S | S | * | * | trans | -86.6 | 69.7 | 155.6 | -105.7 | -174.1 | -170.1 | -165.5 | 4.2 | 108.1 | S1268 | R1266-S1268 PolarHBondContact O-N 2.91Š| ||
| 1267 | G | 24.1 | Very low | 25.1 | Very low | 50 Ų | 50 | 140.2 Ų | 140.2 | 52% | 0.515 | 78% | 0.775 | S | S | . | * | trans | -75.6 | 112 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | V1265 W1269 | V1265-G1267 PolarHBondContact O-N 3.31Å; G1267-W1269 PolarHBondContact O-N 3.38Å; G1267-W1269 VanDerWaalsContact O-N 3.09Å | ||
| 1268 | S | 23.1 | Very low | 24.7 | Very low | 106 Ų | 106 | 142.2 Ų | 142.2 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | trans | -50.7 | 107 | 171.6 | 178 | 0 | 0 | 0 | 0 | 111.1 | R1266 | R1266-S1268 PolarHBondContact O-N 2.91Š| ||
| 1269 | W | 22.2 | Very low | 24.6 | Very low | 251 Ų | 251 | 141.6 Ų | 141.6 | 95% | 0.951 | 78% | 0.784 | S | S | * | * | trans | -97.9 | 80 | 159.7 | -75 | 64.1 | 0 | 0 | 0 | 106.8 | G1267 A1271 | G1267-W1269 PolarHBondContact O-N 3.38Å; G1267-W1269 VanDerWaalsContact O-N 3.09Å; W1269-A1271 PolarHBondContact O-N 3.11Å | ||
| 1270 | S | 23 | Very low | 24.2 | Very low | 86 Ų | 86 | 143.2 Ų | 143.2 | 60% | 0.601 | 79% | 0.792 | S | S | * | * | trans | -53.3 | 125.1 | 163.2 | 49.9 | 0 | 0 | 0 | 0 | 108.9 | S1272 | S1270-S1272 VanDerWaalsContact C-N 3.29Å; S1270-S1272 PolarHBondContact O-N 2.78Å | ||
| 1271 | A | 22.5 | Very low | 24 | Very low | 109 Ų | 109 | 140.7 Ų | 140.7 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | trans | -59.7 | 89.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | W1269 S1273 | W1269-A1271 PolarHBondContact O-N 3.11Å; A1271-S1273 PolarHBondContact O-N 3.33Å | ||
| 1272 | S | 23.2 | Very low | 24 | Very low | 99 Ų | 99 | 139.6 Ų | 139.6 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | trans | -90 | 98.5 | 170 | 53.3 | 0 | 0 | 0 | 0 | 109 | S1270 | S1270-S1272 VanDerWaalsContact C-N 3.29Å; S1270-S1272 PolarHBondContact O-N 2.78Å | ||
| 1273 | S | 22.7 | Very low | 23.9 | Very low | 90 Ų | 90 | 141.2 Ų | 141.2 | 63% | 0.629 | 79% | 0.792 | S | S | * | * | trans | 16.3 | 114.7 | 147.6 | 61.9 | 0 | 0 | 0 | 0 | 117.1 | A1271 R1275 | A1271-S1273 PolarHBondContact O-N 3.33Å; S1273-R1275 PolarHBondContact O-N 2.75Å | ||
| 1274 | V | 23.7 | Very low | 23.9 | Very low | 149 Ų | 149 | 145 Ų | 145 | 90% | 0.903 | 80% | 0.801 | S | S | * | * | trans | -46 | 104.5 | 151.2 | 177.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1275 | R | 21.4 | Very low | 24.1 | Very low | 222 Ų | 222 | 143.7 Ų | 143.7 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | trans | -113.2 | 114.9 | 164.2 | -107.5 | -176.9 | 178.6 | 171.4 | 0.5 | 107.8 | S1273 T1277 | S1273-R1275 PolarHBondContact O-N 2.75Å; R1275-T1277 PolarHBondContact O-N 2.54Å | ||
| 1276 | E | 23.8 | Very low | 24.1 | Very low | 186 Ų | 186 | 146.8 Ų | 146.8 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | trans | -42.7 | 125.4 | 165.9 | -64 | 162.8 | 145.1 | 0 | 0 | 110.5 | ||||
| 1277 | T | 24.4 | Very low | 24.3 | Very low | 138 Ų | 138 | 141.3 Ų | 141.3 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | trans | -125.8 | 104.8 | 157.7 | 50 | 0 | 0 | 0 | 0 | 108.2 | R1275 | R1275-T1277 PolarHBondContact O-N 2.54Š| ||
| 1278 | S | 22.1 | Very low | 24.7 | Very low | 99 Ų | 99 | 142.1 Ų | 142.1 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | trans | -54.8 | 147.3 | 163.3 | 39.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1279 | N | 23.8 | Very low | 25.5 | Very low | 152 Ų | 152 | 142.4 Ų | 142.4 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | 52.1 | 90.4 | 147.5 | -58.8 | -17.1 | 0 | 0 | 0 | 118.1 | ||||
| 1280 | L | 24.1 | Very low | 26.4 | Very low | 176 Ų | 176 | 136.1 Ų | 136.1 | 92% | 0.921 | 77% | 0.772 | S | S | * | * | trans | -125.8 | 116.9 | 147.8 | -76.4 | 170 | 0 | 0 | 0 | 109.8 | ||||
| 1281 | T | 24.5 | Very low | 27.2 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 77% | 0.767 | 76% | 0.76 | S | S | * | * | trans | -59.7 | 144.7 | 178.1 | 44.5 | 0 | 0 | 0 | 0 | 112.1 | S1283 | T1281-S1283 PolarHBondContact O-N 3.34Š| ||
| 1282 | P | 26.9 | Very low | 28 | Very low | 132 Ų | 132 | 135.1 Ų | 135.1 | 86% | 0.857 | 74% | 0.743 | S | S | * | * | trans | -73.5 | 110.7 | -174 | 30 | -31.3 | 0 | 0 | 0 | 109.8 | ||||
| 1283 | S | 23.8 | Very low | 28.9 | Very low | 103 Ų | 103 | 136.9 Ų | 136.9 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | trans | -92.4 | 124.9 | 161.3 | 51.6 | 0 | 0 | 0 | 0 | 108.4 | T1281 N1285 | T1281-S1283 PolarHBondContact O-N 3.34Å; S1283-N1285 PolarHBondContact O-N 2.91Å; S1283-N1285 VanDerWaalsContact O-N 3.09Å | ||
| 1284 | E | 27.3 | Very low | 30 | Very low | 195 Ų | 195 | 133.3 Ų | 133.3 | 91% | 0.911 | 72% | 0.715 | S | S | * | * | trans | -56.6 | 106.2 | 178.8 | -62.9 | 176.2 | 146.4 | 0 | 0 | 110.3 | ||||
| 1285 | N | 28.8 | Very low | 30.9 | Very low | 153 Ų | 153 | 129 Ų | 129 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | trans | -124 | 122.5 | 164.4 | -92.6 | -29.4 | 0 | 0 | 0 | 110.2 | S1283 | S1283-N1285 PolarHBondContact O-N 2.91Å; S1283-N1285 VanDerWaalsContact O-N 3.09Å | ||
| 1286 | K | 28.7 | Very low | 32.1 | Very low | 205 Ų | 205 | 121.4 Ų | 121.4 | 89% | 0.891 | 67% | 0.668 | S | S | * | * | trans | -56.7 | 139 | -171.8 | -69.2 | 169.1 | 177 | 172.6 | 0 | 111.6 | S1288 | K1286-S1288 PolarHBondContact O-N 3.37Å; K1286-S1288 VanDerWaalsContact O-N 3.13Å | ||
| 1287 | L | 26.9 | Very low | 33.3 | Very low | 141 Ų | 141 | 115.1 Ų | 115.1 | 74% | 0.738 | 64% | 0.642 | S | S | * | * | trans | -30.9 | 108.1 | 169.6 | -154 | 79.3 | 0 | 0 | 0 | 111.7 | ||||
| 1288 | S | 31.6 | Very low | 34.5 | Very low | 68 Ų | 68 | 110.4 Ų | 110.4 | 48% | 0.476 | 61% | 0.611 | S | S | . | * | trans | -75 | 149.6 | 175.6 | 81.2 | 0 | 0 | 0 | 0 | 110.1 | K1286 D1290 D1291 | K1286-S1288 PolarHBondContact O-N 3.37Å; K1286-S1288 VanDerWaalsContact O-N 3.13Å; S1288-D1290 PolarHBondContact O-N 3.4Å; S1288-D1291 PolarHBondContact O-N 2.89Å | ||
| 1289 | T | 40.9 | Very low | 35.8 | Very low | 111 Ų | 111 | 107.4 Ų | 107.4 | 68% | 0.681 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | -12.4 | -177.3 | 33.6 | 0 | 0 | 0 | 0 | 115.2 | D1291 I1292 | T1289-D1291 VanDerWaalsContact C-N 3.35Å; T1289-D1291 PolarHBondContact O-N 3.48Å; T1289-I1292 PolarHBondContact O-N 3.46Å |
| 1290 | D | 39.9 | Very low | 37.2 | Very low | 119 Ų | 119 | 107.5 Ų | 107.5 | 64% | 0.636 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -71.4 | -24.4 | -179 | -69.8 | -16.2 | 0 | 0 | 0 | 113.6 | S1288 I1292 H1293 S1294 | S1288-D1290 PolarHBondContact O-N 3.4Å; D1290-I1292 PolarHBondContact O-N 3.15Å; D1290-H1293 PolarHBondContact O-N 2.63Å; D1290-S1294 PolarHBondContact O-N 2.84Å |
| 1291 | D | 39.6 | Very low | 38.7 | Very low | 66 Ų | 66 | 99.7 Ų | 99.7 | 35% | 0.353 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -71 | -31.6 | 178.4 | -81.4 | -36.6 | 0 | 0 | 0 | 113 | S1288 T1289 H1293 S1294 V1295 K1727 | S1288-D1291 PolarHBondContact O-N 2.89Å; T1289-D1291 VanDerWaalsContact C-N 3.35Å; T1289-D1291 PolarHBondContact O-N 3.48Å; D1291-H1293 VanDerWaalsContact C-N 3.34Å; D1291-S1294 PolarHBondContact O-N 3.06Å; D1291-S1294 PolarHBondContact O-OG 2.73Å; D1291-V1295 PolarHBondContact O-N 3.06Å; D1291-K1727 IonicContact OD1-NZ 2.68Å; D1291-K1727 PolarHBondContact OD1-NZ 3.34Å |
| 1292 | I | 40.1 | Very low | 40.1 | Very low | 109 Ų | 109 | 93.9 Ų | 93.9 | 56% | 0.559 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.2 | -39.4 | 177.4 | -63.3 | 174.7 | 0 | 0 | 0 | 110.2 | T1289 D1290 S1294 V1295 T1296 | T1289-I1292 PolarHBondContact O-N 3.46Å; D1290-I1292 PolarHBondContact O-N 3.15Å; I1292-S1294 VanDerWaalsContact C-N 3.31Å; I1292-S1294 PolarHBondContact O-N 2.61Å; I1292-V1295 PolarHBondContact O-N 2.88Å; I1292-T1296 PolarHBondContact O-N 3.44Å; I1292-T1296 PolarHBondContact O-OG1 3.06Å |
| 1293 | H | 41.6 | Very low | 41.3 | Very low | 136 Ų | 136 | 92.2 Ų | 92.2 | 63% | 0.63 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61 | -39.3 | 176.1 | -97.6 | 43.9 | 0 | 0 | 0 | 111.9 | D1290 D1291 V1295 T1296 T1297 | D1290-H1293 PolarHBondContact O-N 2.63Å; D1291-H1293 VanDerWaalsContact C-N 3.34Å; H1293-V1295 PolarHBondContact O-N 2.78Å; H1293-T1296 WeakPolarHBondContact CA-OG1 3.18Å; H1293-T1296 PolarHBondContact O-N 3.1Å; H1293-T1296 PolarHBondContact O-OG1 2.88Å; H1293-T1297 PolarHBondContact O-N 2.86Å; H1293-T1297 PolarHBondContact O-OG1 3.4Å |
| 1294 | S | 45.1 | Very low | 42.7 | Very low | 14 Ų | 14 | 89.8 Ų | 89.8 | 10% | 0.098 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -64.7 | -36 | -178.4 | 83.7 | 0 | 0 | 0 | 0 | 113.6 | D1290 D1291 I1292 L1298 | D1290-S1294 PolarHBondContact O-N 2.84Å; D1291-S1294 PolarHBondContact O-N 3.06Å; D1291-S1294 PolarHBondContact O-OG 2.73Å; I1292-S1294 VanDerWaalsContact C-N 3.31Å; I1292-S1294 PolarHBondContact O-N 2.61Å; S1294-L1298 PolarHBondContact O-N 3.12Å; S1294-L1298 VanDerWaalsContact O-N 3.15Å |
| 1295 | V | 43.7 | Very low | 43.9 | Very low | 59 Ų | 59 | 81.4 Ų | 81.4 | 36% | 0.358 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -73.5 | -39.5 | 177.7 | 179.5 | 0 | 0 | 0 | 0 | 111.4 | D1291 I1292 H1293 L1298 L1299 P1673 | D1291-V1295 PolarHBondContact O-N 3.06Å; I1292-V1295 PolarHBondContact O-N 2.88Å; H1293-V1295 PolarHBondContact O-N 2.78Å; V1295-L1298 PolarHBondContact O-N 3.48Å; V1295-L1299 HydrophobicContact CG1-CD1 4.18Å; V1295-L1299 WeakPolarHBondContact O-CG 3.26Å; V1295-L1299 PolarHBondContact O-N 3.49Å; V1295-P1673 HydrophobicContact CG1-CG 4.4Å; V1295-P1673 HydrophobicContact CG2-CG 4.48Å |
| 1296 | T | 47.1 | Very low | 45 | Very low | 63 Ų | 63 | 74.7 Ų | 74.7 | 39% | 0.387 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.9 | -38.6 | 173.8 | 30.5 | 0 | 0 | 0 | 0 | 112.5 | I1292 H1293 L1299 F1300 | I1292-T1296 PolarHBondContact O-N 3.44Å; I1292-T1296 PolarHBondContact O-OG1 3.06Å; H1293-T1296 WeakPolarHBondContact CA-OG1 3.18Å; H1293-T1296 PolarHBondContact O-N 3.1Å; H1293-T1296 PolarHBondContact O-OG1 2.88Å; T1296-L1299 PolarHBondContact O-N 3.43Å; T1296-F1300 WeakPolarHBondContact O-CB 3.39Å; T1296-F1300 PolarHBondContact O-N 2.88Å |
| 1297 | T | 49.5 | Very low | 46.1 | Very low | 54 Ų | 54 | 68.6 Ų | 68.6 | 33% | 0.331 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 176.6 | -52 | 0 | 0 | 0 | 0 | 111.3 | H1293 F1300 F1301 V1724 | H1293-T1297 PolarHBondContact O-N 2.86Å; H1293-T1297 PolarHBondContact O-OG1 3.4Å; T1297-F1300 PolarHBondContact O-N 3.31Å; T1297-F1301 VanDerWaalsContact O-CB 3.29Å; T1297-F1301 WeakPolarHBondContact O-CB 3.27Å; T1297-F1301 PolarHBondContact O-N 3.07Å; T1297-V1724 HydrophobicContact CG2-CG2 4.15Å |
| 1298 | L | 49.2 | Very low | 47.1 | Very low | 38 Ų | 38 | 70.1 Ų | 70.1 | 20% | 0.199 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.2 | -39.3 | 174.6 | -161.6 | 83.8 | 0 | 0 | 0 | 112.4 | S1294 V1295 F1301 L1302 L1720 V1724 L1728 | S1294-L1298 PolarHBondContact O-N 3.12Å; S1294-L1298 VanDerWaalsContact O-N 3.15Å; V1295-L1298 PolarHBondContact O-N 3.48Å; L1298-F1301 WeakPolarHBondContact O-CB 3.44Å; L1298-F1301 PolarHBondContact O-N 3.13Å; L1298-L1302 PolarHBondContact O-N 3.1Å; L1298-L1720 HydrophobicContact CD1-CD2 4.45Å; L1298-V1724 HydrophobicContact CD1-CG1 3.86Å; L1298-L1728 HydrophobicContact CD1-CD1 3.91Å; L1298-L1728 HydrophobicContact CD1-CD2 3.67Å; L1298-L1728 HydrophobicContact CD1-CG 4.03Å |
| 1299 | L | 49.6 | Very low | 47.9 | Very low | 36 Ų | 36 | 68.5 Ų | 68.5 | 19% | 0.188 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -69.6 | -38.9 | 175.3 | -73.6 | 168.4 | 0 | 0 | 0 | 112.2 | V1295 T1296 F1301 L1302 F1303 R1670 | V1295-L1299 HydrophobicContact CG1-CD1 4.18Å; V1295-L1299 WeakPolarHBondContact O-CG 3.26Å; V1295-L1299 PolarHBondContact O-N 3.49Å; T1296-L1299 PolarHBondContact O-N 3.43Å; L1299-F1301 VanDerWaalsContact C-N 3.29Å; L1299-L1302 PolarHBondContact O-N 2.84Å; L1299-F1303 WeakPolarHBondContact O-CB 3.34Å; L1299-F1303 PolarHBondContact O-N 3.45Å; L1299-R1670 HydrophobicContact CD1-CG 4.11Å; L1299-R1670 HydrophobicContact CD2-CG 3.45Å; L1299-R1670 VanDerWaalsContact CD2-CG 3.45Å; L1299-R1670 HydrophobicContact CG-CG 4.44Å |
| 1300 | F | 52.6 | Low | 48.5 | Very low | 154 Ų | 154 | 67.1 Ų | 67.1 | 68% | 0.675 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -63 | -38.4 | 171.4 | -104.8 | -82.5 | 0 | 0 | 0 | 111.2 | T1296 T1297 F1303 A1304 | T1296-F1300 WeakPolarHBondContact O-CB 3.39Å; T1296-F1300 PolarHBondContact O-N 2.88Å; T1297-F1300 PolarHBondContact O-N 3.31Å; F1300-F1303 PolarHBondContact O-N 2.8Å; F1300-A1304 WeakPolarHBondContact O-CA 3.43Å; F1300-A1304 WeakPolarHBondContact O-CB 3.43Å; F1300-A1304 PolarHBondContact O-N 3.11Å |
| 1301 | F | 55.3 | Low | 48.7 | Very low | 12 Ų | 12 | 68.7 Ų | 68.7 | 5% | 0.053 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.5 | -50.4 | 174.9 | 168.8 | -106.7 | 0 | 0 | 0 | 112.2 | T1297 L1298 L1299 F1303 A1304 I1305 M1688 A1716 F1717 L1720 | T1297-F1301 VanDerWaalsContact O-CB 3.29Å; T1297-F1301 WeakPolarHBondContact O-CB 3.27Å; T1297-F1301 PolarHBondContact O-N 3.07Å; L1298-F1301 WeakPolarHBondContact O-CB 3.44Å; L1298-F1301 PolarHBondContact O-N 3.13Å; L1299-F1301 VanDerWaalsContact C-N 3.29Å; F1301-F1303 PolarHBondContact O-N 2.96Å; F1301-A1304 PolarHBondContact O-N 2.84Å; F1301-I1305 HydrophobicContact CD1-CD1 4.31Å; F1301-I1305 HydrophobicContact CD2-CD1 3.95Å; F1301-I1305 HydrophobicContact CD2-CG1 4.48Å; F1301-I1305 HydrophobicContact CE1-CD1 3.83Å; F1301-I1305 HydrophobicContact CE2-CD1 3.34Å; F1301-I1305 HydrophobicContact CE2-CG1 4.18Å; F1301-I1305 HydrophobicContact CG-CD1 4.39Å; F1301-I1305 HydrophobicContact CZ-CD1 3.32Å; F1301-I1305 WeakPolarHBondContact O-CG1 3.49Å; F1301-I1305 PolarHBondContact O-N 3.44Å; F1301-M1688 HydrophobicContact CD1-CE 4.34Å; F1301-M1688 HydrophobicContact CE1-CE 3.88Å; F1301-A1716 HydrophobicContact CD2-CB 4.16Å; F1301-A1716 WeakPolarHBondContact CD2-O 3.39Å; F1301-A1716 HydrophobicContact CE2-CB 3.54Å; F1301-A1716 WeakPolarHBondContact CE2-O 3.4Å; F1301-A1716 HydrophobicContact CZ-CB 4.45Å; F1301-F1717 HydrophobicContact CE2-CB 4.46Å; F1301-F1717 VanDerWaalsContact CE2-N 3.34Å; F1301-F1717 HydrophobicContact CZ-CB 4.29Å; F1301-L1720 HydrophobicContact CB-CD2 3.53Å; F1301-L1720 HydrophobicContact CD1-CD1 4.21Å; F1301-L1720 HydrophobicContact CD1-CD2 3.88Å; F1301-L1720 HydrophobicContact CD1-CG 4.35Å; F1301-L1720 HydrophobicContact CD2-CD1 4.33Å; F1301-L1720 HydrophobicContact CD2-CD2 3.79Å; F1301-L1720 HydrophobicContact CD2-CG 3.87Å; F1301-L1720 HydrophobicContact CE1-CD1 4.04Å; F1301-L1720 HydrophobicContact CE2-CD1 4.22Å; F1301-L1720 HydrophobicContact CE2-CD2 4.48Å; F1301-L1720 HydrophobicContact CE2-CG 4.14Å; F1301-L1720 HydrophobicContact CG-CD1 4.33Å; F1301-L1720 HydrophobicContact CG-CD2 3.45Å; F1301-L1720 VanDerWaalsContact CG-CD2 3.45Å; F1301-L1720 HydrophobicContact CG-CG 3.99Å; F1301-L1720 HydrophobicContact CZ-CD1 4.04Å; F1301-L1720 HydrophobicContact CZ-CG 4.44Å |
| 1302 | L | 53.8 | Low | 48.5 | Very low | 3 Ų | 3 | 72.7 Ų | 72.7 | 2% | 0.016 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 174.8 | -78.7 | 170.3 | 0 | 0 | 0 | 111.9 | L1298 L1299 T1306 H1669 M1688 | L1298-L1302 PolarHBondContact O-N 3.1Å; L1299-L1302 PolarHBondContact O-N 2.84Å; L1302-T1306 WeakPolarHBondContact O-CB 3.49Å; L1302-T1306 WeakPolarHBondContact O-CG2 3.48Å; L1302-T1306 PolarHBondContact O-N 3.45Å; L1302-T1306 VanDerWaalsContact O-N 3.09Å; L1302-T1306 PolarHBondContact O-OG1 3.37Å; L1302-H1669 HydrophobicContact CD1-CB 4.16Å; L1302-M1688 HydrophobicContact CD1-SD 4.46Å; L1302-M1688 HydrophobicContact CD2-CE 3.61Å; L1302-M1688 HydrophobicContact CD2-SD 4.2Å; L1302-M1688 HydrophobicContact CG-CE 4.14Å |
| 1303 | F | 53.2 | Low | 48.3 | Very low | 97 Ų | 97 | 76.7 Ų | 76.7 | 43% | 0.425 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -71.8 | -35.4 | 179.9 | -162.2 | -118.5 | 0 | 0 | 0 | 112.4 | L1299 F1300 F1301 T1306 L1307 M1666 | L1299-F1303 WeakPolarHBondContact O-CB 3.34Å; L1299-F1303 PolarHBondContact O-N 3.45Å; F1300-F1303 PolarHBondContact O-N 2.8Å; F1301-F1303 PolarHBondContact O-N 2.96Å; F1303-T1306 WeakPolarHBondContact CA-OG1 3.49Å; F1303-T1306 PolarHBondContact O-OG1 3Å; F1303-L1307 HydrophobicContact CD1-CD1 3.4Å; F1303-L1307 VanDerWaalsContact CD1-CD1 3.4Å; F1303-L1307 HydrophobicContact CD1-CG 4.35Å; F1303-L1307 HydrophobicContact CD2-CD1 4.48Å; F1303-L1307 HydrophobicContact CE1-CD1 3.11Å; F1303-L1307 HydrophobicContact CE1-CG 4.12Å; F1303-L1307 HydrophobicContact CE2-CD1 4.26Å; F1303-L1307 HydrophobicContact CE2-CG 4.48Å; F1303-L1307 HydrophobicContact CG-CD1 4.11Å; F1303-L1307 HydrophobicContact CZ-CD1 3.59Å; F1303-L1307 HydrophobicContact CZ-CG 4.18Å; F1303-L1307 VanDerWaalsContact O-CB 3.24Å; F1303-L1307 WeakPolarHBondContact O-CB 3.49Å; F1303-L1307 PolarHBondContact O-N 3.43Å; F1303-M1666 HydrophobicContact CB-CE 4.15Å; F1303-M1666 HydrophobicContact CD2-CE 3.45Å; F1303-M1666 VanDerWaalsContact CD2-CE 3.45Å; F1303-M1666 HydrophobicContact CD2-SD 3.78Å; F1303-M1666 HydrophobicContact CE2-CE 4.17Å; F1303-M1666 HydrophobicContact CE2-SD 4.38Å; F1303-M1666 HydrophobicContact CG-CE 4.16Å |
| 1304 | A | 52.6 | Low | 47.8 | Very low | 53 Ų | 53 | 80.8 Ų | 80.8 | 44% | 0.438 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -69.1 | -47.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | F1300 F1301 T1306 W1308 | F1300-A1304 WeakPolarHBondContact O-CA 3.43Å; F1300-A1304 WeakPolarHBondContact O-CB 3.43Å; F1300-A1304 PolarHBondContact O-N 3.11Å; F1301-A1304 PolarHBondContact O-N 2.84Å; A1304-T1306 VanDerWaalsContact C-N 3.29Å; A1304-T1306 PolarHBondContact O-N 3.09Å; A1304-W1308 WeakPolarHBondContact O-CB 3.49Å; A1304-W1308 PolarHBondContact O-N 3.3Å |
| 1305 | I | 53.2 | Low | 47.2 | Very low | 18 Ų | 18 | 90 Ų | 90 | 9% | 0.092 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -56.4 | -47.5 | 174.3 | -70.1 | 168.7 | 0 | 0 | 0 | 109.8 | F1301 F1309 L1692 Y1713 A1716 | F1301-I1305 HydrophobicContact CD1-CD1 4.31Å; F1301-I1305 HydrophobicContact CD2-CD1 3.95Å; F1301-I1305 HydrophobicContact CD2-CG1 4.48Å; F1301-I1305 HydrophobicContact CE1-CD1 3.83Å; F1301-I1305 HydrophobicContact CE2-CD1 3.34Å; F1301-I1305 HydrophobicContact CE2-CG1 4.18Å; F1301-I1305 HydrophobicContact CG-CD1 4.39Å; F1301-I1305 HydrophobicContact CZ-CD1 3.32Å; F1301-I1305 WeakPolarHBondContact O-CG1 3.49Å; F1301-I1305 PolarHBondContact O-N 3.44Å; I1305-F1309 WeakPolarHBondContact O-CB 3.48Å; I1305-F1309 PolarHBondContact O-N 3.18Å; I1305-L1692 HydrophobicContact CG2-CD1 4.41Å; I1305-Y1713 HydrophobicContact CD1-CD2 4.46Å; I1305-A1716 HydrophobicContact CD1-CB 3.63Å; I1305-A1716 HydrophobicContact CG1-CB 3.42Å; I1305-A1716 VanDerWaalsContact CG1-CB 3.42Å |
| 1306 | T | 51.2 | Low | 46.5 | Very low | 13 Ų | 13 | 90.7 Ų | 90.7 | 8% | 0.08 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -73.1 | -42.7 | -175.6 | 43.5 | 0 | 0 | 0 | 0 | 114 | L1302 F1303 A1304 W1308 F1310 L1662 L1692 | L1302-T1306 WeakPolarHBondContact O-CB 3.49Å; L1302-T1306 WeakPolarHBondContact O-CG2 3.48Å; L1302-T1306 PolarHBondContact O-N 3.45Å; L1302-T1306 VanDerWaalsContact O-N 3.09Å; L1302-T1306 PolarHBondContact O-OG1 3.37Å; F1303-T1306 WeakPolarHBondContact CA-OG1 3.49Å; F1303-T1306 PolarHBondContact O-OG1 3Å; A1304-T1306 VanDerWaalsContact C-N 3.29Å; A1304-T1306 PolarHBondContact O-N 3.09Å; T1306-W1308 VanDerWaalsContact C-N 3.32Å; T1306-W1308 PolarHBondContact O-N 3.36Å; T1306-F1310 WeakPolarHBondContact O-CD2 3.36Å; T1306-F1310 PolarHBondContact O-N 2.97Å; T1306-L1662 HydrophobicContact CG2-CD1 4.1Å; T1306-L1662 HydrophobicContact CG2-CD2 3.37Å; T1306-L1662 HydrophobicContact CG2-CG 4.24Å; T1306-L1692 HydrophobicContact CG2-CD2 4.29Å |
| 1307 | L | 51 | Low | 45.6 | Very low | 77 Ų | 77 | 94.3 Ų | 94.3 | 40% | 0.403 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63 | -41.7 | 172.5 | -89.4 | 166.9 | 0 | 0 | 0 | 111.2 | F1303 F1310 K1311 | F1303-L1307 HydrophobicContact CD1-CD1 3.4Å; F1303-L1307 VanDerWaalsContact CD1-CD1 3.4Å; F1303-L1307 HydrophobicContact CD1-CG 4.35Å; F1303-L1307 HydrophobicContact CD2-CD1 4.48Å; F1303-L1307 HydrophobicContact CE1-CD1 3.11Å; F1303-L1307 HydrophobicContact CE1-CG 4.12Å; F1303-L1307 HydrophobicContact CE2-CD1 4.26Å; F1303-L1307 HydrophobicContact CE2-CG 4.48Å; F1303-L1307 HydrophobicContact CG-CD1 4.11Å; F1303-L1307 HydrophobicContact CZ-CD1 3.59Å; F1303-L1307 HydrophobicContact CZ-CG 4.18Å; F1303-L1307 VanDerWaalsContact O-CB 3.24Å; F1303-L1307 WeakPolarHBondContact O-CB 3.49Å; F1303-L1307 PolarHBondContact O-N 3.43Å; L1307-F1310 PolarHBondContact O-N 3.23Å; L1307-K1311 HydrophobicContact CD2-CD 4.38Å; L1307-K1311 VanDerWaalsContact O-CB 3.27Å; L1307-K1311 WeakPolarHBondContact O-CB 3.41Å; L1307-K1311 PolarHBondContact O-N 3.08Å |
| 1308 | W | 49.1 | Very low | 44.7 | Very low | 172 Ų | 172 | 100.9 Ų | 100.9 | 65% | 0.652 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -74.9 | -30.8 | -173.8 | -157.2 | 68.6 | 0 | 0 | 0 | 112.4 | A1304 T1306 F1310 R1712 | A1304-W1308 WeakPolarHBondContact O-CB 3.49Å; A1304-W1308 PolarHBondContact O-N 3.3Å; T1306-W1308 VanDerWaalsContact C-N 3.32Å; T1306-W1308 PolarHBondContact O-N 3.36Å; W1308-F1310 VanDerWaalsContact C-N 3.34Å; W1308-F1310 PolarHBondContact O-N 3.15Å; W1308-R1712 HydrophobicContact CZ3-CG 4.07Å |
| 1309 | F | 48.5 | Very low | 43.8 | Very low | 34 Ų | 34 | 107.1 Ų | 107.1 | 15% | 0.149 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -70.7 | -26.8 | 174.8 | -131.3 | -86.8 | 0 | 0 | 0 | 113.7 | I1305 F1700 L1704 F1709 R1712 | I1305-F1309 WeakPolarHBondContact O-CB 3.48Å; I1305-F1309 PolarHBondContact O-N 3.18Å; F1309-F1700 HydrophobicContact CD1-CE2 4.18Å; F1309-F1700 HydrophobicContact CD1-CZ 4.48Å; F1309-F1700 HydrophobicContact CE1-CE2 4.07Å; F1309-L1704 HydrophobicContact CE1-CD1 4.42Å; F1309-F1709 AromaticContact CE2-CD2 3.88Å; F1309-F1709 HydrophobicContact CE2-CD2 3.88Å; F1309-F1709 HydrophobicContact CZ-CB 4.18Å; F1309-F1709 AromaticContact CZ-CD2 3.78Å; F1309-F1709 HydrophobicContact CZ-CD2 3.78Å; F1309-F1709 HydrophobicContact CZ-CG 4.48Å; F1309-R1712 HydrophobicContact CE2-CB 4.33Å |
| 1310 | F | 52.7 | Low | 42.7 | Very low | 82 Ų | 82 | 111.1 Ų | 111.1 | 36% | 0.36 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -115.2 | 0.6 | -168.1 | -67.3 | -62.9 | 0 | 0 | 0 | 115.5 | T1306 L1307 W1308 M1658 L1662 F1700 | T1306-F1310 WeakPolarHBondContact O-CD2 3.36Å; T1306-F1310 PolarHBondContact O-N 2.97Å; L1307-F1310 PolarHBondContact O-N 3.23Å; W1308-F1310 VanDerWaalsContact C-N 3.34Å; W1308-F1310 PolarHBondContact O-N 3.15Å; F1310-M1658 HydrophobicContact CD1-SD 3.63Å; F1310-M1658 HydrophobicContact CD2-SD 4.23Å; F1310-M1658 HydrophobicContact CE1-CE 3.68Å; F1310-M1658 HydrophobicContact CE1-SD 3.15Å; F1310-M1658 WeakPolarHBondContact CE1-SD 3.3Å; F1310-M1658 HydrophobicContact CE2-SD 3.85Å; F1310-M1658 HydrophobicContact CG-SD 4.17Å; F1310-M1658 HydrophobicContact CZ-CE 3.73Å; F1310-M1658 HydrophobicContact CZ-CG 4.47Å; F1310-M1658 HydrophobicContact CZ-SD 3.29Å; F1310-M1658 WeakPolarHBondContact CZ-SD 3.32Å; F1310-L1662 HydrophobicContact CD2-CD1 3.85Å; F1310-L1662 HydrophobicContact CE2-CD1 3.73Å; F1310-F1700 HydrophobicContact CD1-CZ 4.35Å; F1310-F1700 AromaticContact CE1-CE2 3.85Å; F1310-F1700 HydrophobicContact CE1-CE2 3.85Å; F1310-F1700 AromaticContact CE1-CZ 3.78Å; F1310-F1700 HydrophobicContact CE1-CZ 3.78Å; F1310-F1700 HydrophobicContact CZ-CE2 4.41Å |
| 1311 | K | 44.6 | Very low | 41.7 | Very low | 153 Ų | 153 | 108.4 Ų | 108.4 | 67% | 0.665 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -100 | -15.6 | -172.7 | -142.5 | 178.1 | -178.7 | -169.6 | 0 | 117.5 | L1307 | L1307-K1311 HydrophobicContact CD2-CD 4.38Å; L1307-K1311 VanDerWaalsContact O-CB 3.27Å; L1307-K1311 WeakPolarHBondContact O-CB 3.41Å; L1307-K1311 PolarHBondContact O-N 3.08Å |
| 1312 | D | 35.4 | Very low | 40.8 | Very low | 150 Ų | 150 | 117.1 Ų | 117.1 | 80% | 0.802 | 57% | 0.57 | S | S | * | * | trans | -141.4 | 132.9 | -178.2 | -79.4 | -51.5 | 0 | 0 | 0 | 116.1 | W1314 | D1312-W1314 PolarHBondContact O-N 3.48Š| ||
| 1313 | E | 34.8 | Very low | 40.3 | Very low | 193 Ų | 193 | 120.3 Ų | 120.3 | 90% | 0.902 | 60% | 0.597 | S | S | * | * | trans | -79 | 84.1 | 170.2 | -73.1 | -176.5 | 148 | 0 | 0 | 110.7 | ||||
| 1314 | W | 32.8 | Very low | 40.4 | Very low | 222 Ų | 222 | 122.8 Ų | 122.8 | 84% | 0.841 | 61% | 0.61 | S | S | * | * | trans | -136.7 | 116.8 | 166.6 | -96 | 71.3 | 0 | 0 | 0 | 111.5 | D1312 | D1312-W1314 PolarHBondContact O-N 3.48Š| ||
| 1315 | Y | 31.7 | Very low | 40.7 | Very low | 206 Ų | 206 | 121.2 Ų | 121.2 | 81% | 0.808 | 59% | 0.594 | S | S | * | * | trans | -105.5 | 139.5 | 165 | -104.9 | -91.1 | 0 | 0 | 0 | 107.8 | ||||
| 1316 | A | 29.7 | Very low | 41 | Very low | 74 Ų | 74 | 123 Ų | 123 | 61% | 0.612 | 61% | 0.606 | S | S | * | * | trans | 84.3 | 93.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1317 | D | 28.3 | Very low | 41.6 | Very low | 139 Ų | 139 | 125 Ų | 125 | 74% | 0.743 | 63% | 0.625 | S | S | * | * | -165.1 | 156.7 | 116.9 | -119.9 | -30 | 0 | 0 | 0 | 112.8 | F1319 | D1317-F1319 PolarHBondContact O-N 3.46Š| |||
| 1318 | K | 29.3 | Very low | 42.3 | Very low | 192 Ų | 192 | 127.1 Ų | 127.1 | 84% | 0.835 | 64% | 0.636 | S | S | * | * | trans | -41 | 121.4 | -171.1 | -68.9 | 166.7 | 175.3 | 172.3 | 0 | 115.8 | ||||
| 1319 | F | 30.3 | Very low | 43.5 | Very low | 169 Ų | 169 | 120 Ų | 120 | 74% | 0.741 | 61% | 0.611 | S | S | * | * | trans | -120.8 | 104 | 154.4 | -80 | -83.3 | 0 | 0 | 0 | 109.5 | D1317 | D1317-F1319 PolarHBondContact O-N 3.46Š| ||
| 1320 | S | 27.8 | Very low | 44.5 | Very low | 121 Ų | 121 | 120.3 Ų | 120.3 | 85% | 0.846 | 62% | 0.616 | S | S | * | * | trans | -96 | 75.9 | 163.1 | 56.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1321 | C | 31 | Very low | 45.4 | Very low | 97 Ų | 97 | 116.7 Ų | 116.7 | 66% | 0.655 | 60% | 0.602 | S | S | * | * | trans | -70.4 | 140.7 | 160.4 | -63.8 | 0 | 0 | 0 | 0 | 106.8 | A1323 | C1321-A1323 PolarHBondContact O-N 3.27Š| ||
| 1322 | E | 35.5 | Very low | 46.7 | Very low | 195 Ų | 195 | 110.2 Ų | 110.2 | 91% | 0.911 | 57% | 0.573 | S | S | * | * | trans | -63.1 | 67.9 | 170.4 | -65.2 | 179.1 | 158.9 | 0 | 0 | 109.6 | E1324 | E1322-E1324 PolarHBondContact O-N 3.33Å; E1322-E1324 VanDerWaalsContact O-N 3.11Å | ||
| 1323 | A | 43.6 | Very low | 48.2 | Very low | 69 Ų | 69 | 108.6 Ų | 108.6 | 57% | 0.57 | 56% | 0.556 | S | S | * | * | trans | -74 | 103.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | C1321 L1325 | C1321-A1323 PolarHBondContact O-N 3.27Å; A1323-L1325 CarbonylContact O-C 3.56Å; A1323-L1325 PolarHBondContact O-N 2.63Å | ||
| 1324 | E | 55.7 | Low | 49.8 | Very low | 149 Ų | 149 | 101.4 Ų | 101.4 | 70% | 0.696 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -53.8 | -18.9 | 173.2 | -76.2 | 176.4 | -154.4 | 0 | 0 | 113.1 | E1322 P1326 K1737 | E1322-E1324 PolarHBondContact O-N 3.33Å; E1322-E1324 VanDerWaalsContact O-N 3.11Å; E1324-P1326 VanDerWaalsContact O-CD 3.31Å; E1324-P1326 WeakPolarHBondContact O-CD 3.29Å; E1324-K1737 IonicContact OE1-NZ 2.78Å; E1324-K1737 PolarHBondContact OE1-NZ 3.07Å; E1324-K1737 VanDerWaalsContact OE1-NZ 3.16Å; E1324-K1737 IonicContact OE2-NZ 3.88Å; E1324-K1737 PolarHBondContact OE2-NZ 3.06Å |
| 1325 | L | 58.5 | Low | 51.3 | Low | 21 Ų | 21 | 93.5 Ų | 93.5 | 11% | 0.11 | 50% | 0.503 | C | S | . | . | S | Bend | trans | -89.8 | 108.9 | 169.2 | -71.4 | 166.3 | 0 | 0 | 0 | 109.7 | L775 A1323 A1327 K1737 I1740 A1741 | L775-L1325 HydrophobicContact CB-CD2 4Å; L775-L1325 HydrophobicContact CD1-CD2 4.31Å; A1323-L1325 CarbonylContact O-C 3.56Å; A1323-L1325 PolarHBondContact O-N 2.63Å; L1325-A1327 PolarHBondContact O-N 3.01Å; L1325-K1737 HydrophobicContact CD1-CB 4.28Å; L1325-I1740 HydrophobicContact CD1-CB 4.32Å; L1325-I1740 HydrophobicContact CD1-CG2 4.11Å; L1325-A1741 HydrophobicContact CD2-CB 4.13Å |
| 1326 | P | 59.4 | Low | 52.9 | Low | 54 Ų | 54 | 87 Ų | 87 | 35% | 0.351 | 49% | 0.487 | S | S | . | . | trans | -64.9 | 105 | -179.3 | 22 | -29.9 | 0 | 0 | 0 | 110.9 | L775 E1324 D1328 D1329 | L775-P1326 HydrophobicContact CD2-CG 4.05Å; E1324-P1326 VanDerWaalsContact O-CD 3.31Å; E1324-P1326 WeakPolarHBondContact O-CD 3.29Å; P1326-D1328 PolarHBondContact O-N 2.91Å; P1326-D1328 VanDerWaalsContact O-N 3.15Å; P1326-D1329 HydrophobicContact CB-CB 4.31Å; P1326-D1329 HydrophobicContact CG-CB 4.06Å; P1326-D1329 VanDerWaalsContact O-CB 3.28Å; P1326-D1329 WeakPolarHBondContact O-CB 3.39Å; P1326-D1329 PolarHBondContact O-N 2.94Å | ||
| 1327 | A | 63.4 | Low | 54.5 | Low | 57 Ų | 57 | 87.8 Ų | 87.8 | 47% | 0.471 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -24.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1325 D1329 | L1325-A1327 PolarHBondContact O-N 3.01Å; A1327-D1329 VanDerWaalsContact C-N 3.31Å |
| 1328 | D | 67 | Low | 56.3 | Low | 120 Ų | 120 | 84.1 Ų | 84.1 | 64% | 0.642 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -4.3 | 176.8 | -81.6 | -46.5 | 0 | 0 | 0 | 114.9 | P1326 R1333 | P1326-D1328 PolarHBondContact O-N 2.91Å; P1326-D1328 VanDerWaalsContact O-N 3.15Å; D1328-R1333 VanDerWaalsContact O-CZ 3.24Å; D1328-R1333 PolarHBondContact O-NE 2.89Å; D1328-R1333 PolarHBondContact O-NH2 3.29Å; D1328-R1333 IonicContact OD1-CZ 2.72Å; D1328-R1333 IonicContact OD1-NH2 3Å; D1328-R1333 PolarHBondContact OD1-NH2 3.22Å |
| 1329 | D | 72.9 | Confident | 58.2 | Low | 23 Ų | 23 | 75 Ų | 75 | 12% | 0.123 | 43% | 0.428 | C | S | . | . | trans | -62.3 | 127.9 | 177.8 | -167.1 | -61.1 | 0 | 0 | 0 | 110.1 | K779 P1326 A1327 A1331 F1332 | K779-D1329 WeakPolarHBondContact CE-OD1 3.41Å; K779-D1329 VanDerWaalsContact CE-OD2 3.31Å; K779-D1329 WeakPolarHBondContact CE-OD2 3.41Å; K779-D1329 VanDerWaalsContact NZ-CG 3.32Å; K779-D1329 IonicContact NZ-OD1 3.09Å; K779-D1329 PolarHBondContact NZ-OD1 2.95Å; K779-D1329 IonicContact NZ-OD2 2.65Å; K779-D1329 PolarHBondContact NZ-OD2 2.8Å; P1326-D1329 HydrophobicContact CB-CB 4.31Å; P1326-D1329 HydrophobicContact CG-CB 4.06Å; P1326-D1329 VanDerWaalsContact O-CB 3.28Å; P1326-D1329 WeakPolarHBondContact O-CB 3.39Å; P1326-D1329 PolarHBondContact O-N 2.94Å; A1327-D1329 VanDerWaalsContact C-N 3.31Å; D1329-A1331 PolarHBondContact O-N 3.22Å; D1329-A1331 VanDerWaalsContact O-N 3.11Å; D1329-A1331 VanDerWaalsContact OD1-CB 3.29Å; D1329-A1331 WeakPolarHBondContact OD1-CB 3.19Å; D1329-A1331 PolarHBondContact OD1-N 3.33Å; D1329-F1332 HydrophobicContact CB-CD2 3.66Å; D1329-F1332 HydrophobicContact CB-CE2 4.03Å; D1329-F1332 PolarHBondContact O-N 3.39Å | ||
| 1330 | P | 69.7 | Low | 59.9 | Low | 40 Ų | 40 | 71.1 Ų | 71.1 | 26% | 0.26 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -62.2 | -22.2 | -175.3 | 24.8 | -34.3 | 0 | 0 | 0 | 113.7 | N819 R821 F1332 R1333 | N819-P1330 VanDerWaalsContact O-CB 3.26Å; N819-P1330 WeakPolarHBondContact O-CB 3.32Å; R821-P1330 HydrophobicContact CB-CG 4.04Å; R821-P1330 HydrophobicContact CG-CG 3.82Å; P1330-F1332 PolarHBondContact O-N 3.2Å; P1330-R1333 PolarHBondContact O-N 3.21Å |
| 1331 | A | 72.8 | Confident | 61.6 | Low | 6 Ų | 6 | 71.3 Ų | 71.3 | 5% | 0.05 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -63 | -22.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | K779 A820 D1329 | K779-A1331 HydrophobicContact CG-CB 4.32Å; A820-A1331 HydrophobicContact CB-CB 4.45Å; D1329-A1331 PolarHBondContact O-N 3.22Å; D1329-A1331 VanDerWaalsContact O-N 3.11Å; D1329-A1331 VanDerWaalsContact OD1-CB 3.29Å; D1329-A1331 WeakPolarHBondContact OD1-CB 3.19Å; D1329-A1331 PolarHBondContact OD1-N 3.33Å |
| 1332 | F | 71 | Confident | 63.4 | Low | 17 Ų | 17 | 67 Ų | 67 | 8% | 0.075 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -100.8 | -4 | -178.7 | -57.9 | -51.7 | 0 | 0 | 0 | 114.2 | L775 D1329 P1330 L1334 A1741 R1744 V1745 | L775-F1332 HydrophobicContact CD1-CE1 4.32Å; L775-F1332 HydrophobicContact CD1-CE2 3.28Å; L775-F1332 HydrophobicContact CD1-CZ 3.12Å; D1329-F1332 HydrophobicContact CB-CD2 3.66Å; D1329-F1332 HydrophobicContact CB-CE2 4.03Å; D1329-F1332 PolarHBondContact O-N 3.39Å; P1330-F1332 PolarHBondContact O-N 3.2Å; F1332-L1334 PolarHBondContact O-N 3.22Å; F1332-A1741 HydrophobicContact CZ-CB 4.47Å; F1332-R1744 HydrophobicContact CB-CB 4.5Å; F1332-R1744 HydrophobicContact CD1-CB 3.3Å; F1332-R1744 HydrophobicContact CD1-CG 4.42Å; F1332-R1744 HydrophobicContact CE1-CB 3.64Å; F1332-R1744 HydrophobicContact CG-CB 4.13Å; F1332-V1745 HydrophobicContact CD1-CG1 3.92Å; F1332-V1745 HydrophobicContact CE1-CG1 3.57Å |
| 1333 | R | 67.5 | Low | 65 | Low | 117 Ų | 117 | 58 Ų | 58 | 44% | 0.442 | 33% | 0.328 | S | S | . | . | trans | -80.5 | 47.3 | -173.8 | -71.3 | -174.2 | 173.2 | 166.5 | -1.9 | 113.9 | D1328 P1330 S1335 M1338 | D1328-R1333 VanDerWaalsContact O-CZ 3.24Å; D1328-R1333 PolarHBondContact O-NE 2.89Å; D1328-R1333 PolarHBondContact O-NH2 3.29Å; D1328-R1333 IonicContact OD1-CZ 2.72Å; D1328-R1333 IonicContact OD1-NH2 3Å; D1328-R1333 PolarHBondContact OD1-NH2 3.22Å; P1330-R1333 PolarHBondContact O-N 3.21Å; R1333-S1335 VanDerWaalsContact C-N 3.32Å; R1333-S1335 PolarHBondContact O-N 3.11Å; R1333-M1338 VanDerWaalsContact O-CE 3.3Å; R1333-M1338 WeakPolarHBondContact O-CE 3.39Å | ||
| 1334 | L | 68.7 | Low | 65.9 | Low | 41 Ų | 41 | 57.4 Ų | 57.4 | 22% | 0.215 | 32% | 0.315 | C | S | . | . | trans | -77.4 | 73.6 | 173.5 | -62.2 | -179.1 | 0 | 0 | 0 | 111.7 | F1332 M1338 V1339 M1342 | F1332-L1334 PolarHBondContact O-N 3.22Å; L1334-M1338 HydrophobicContact CB-CE 4.32Å; L1334-M1338 HydrophobicContact CD2-CE 3.19Å; L1334-M1338 HydrophobicContact CG-CE 4.22Å; L1334-V1339 HydrophobicContact CB-CG2 4.01Å; L1334-M1342 HydrophobicContact CD2-SD 4.08Å | ||
| 1335 | S | 64.5 | Low | 65.8 | Low | 57 Ų | 57 | 52.8 Ų | 52.8 | 40% | 0.399 | 30% | 0.298 | S | S | . | . | trans | -58.1 | 149.1 | 174.2 | 67.9 | 0 | 0 | 0 | 0 | 111.7 | R1333 S1337 M1338 V1339 | R1333-S1335 VanDerWaalsContact C-N 3.32Å; R1333-S1335 PolarHBondContact O-N 3.11Å; S1335-S1337 PolarHBondContact O-N 3.44Å; S1335-S1337 VanDerWaalsContact O-N 3.15Å; S1335-S1337 PolarHBondContact OG-OG 3.15Å; S1335-M1338 CarbonylContact O-C 3.57Å; S1335-M1338 WeakPolarHBondContact O-CA 3.32Å; S1335-M1338 WeakPolarHBondContact O-CB 3Å; S1335-M1338 PolarHBondContact O-N 2.96Å; S1335-M1338 VanDerWaalsContact OG-CB 3.28Å; S1335-M1338 WeakPolarHBondContact OG-CB 3.48Å; S1335-M1338 PolarHBondContact OG-N 3.48Å; S1335-M1338 VanDerWaalsContact OG-N 3.1Å; S1335-V1339 PolarHBondContact O-N 3.37Å | ||
| 1336 | S | 65.4 | Low | 65.4 | Low | 69 Ų | 69 | 53.4 Ų | 53.4 | 48% | 0.483 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -55.1 | -35.7 | 177.5 | -55 | 0 | 0 | 0 | 0 | 112.9 | R1340 | S1336-R1340 WeakPolarHBondContact O-CB 3.48Å; S1336-R1340 PolarHBondContact O-N 2.76Å |
| 1337 | S | 62.4 | Low | 64.9 | Low | 91 Ų | 91 | 53.6 Ų | 53.6 | 64% | 0.636 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -64.9 | -40.6 | 172 | 42 | 0 | 0 | 0 | 0 | 112.7 | S1335 R1340 L1341 | S1335-S1337 PolarHBondContact O-N 3.44Å; S1335-S1337 VanDerWaalsContact O-N 3.15Å; S1335-S1337 PolarHBondContact OG-OG 3.15Å; S1337-R1340 PolarHBondContact O-N 2.84Å; S1337-L1341 PolarHBondContact O-N 3.21Å |
| 1338 | M | 66 | Low | 64.3 | Low | 61 Ų | 61 | 51.4 Ų | 51.4 | 30% | 0.3 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67 | -49.3 | 176.7 | -169.7 | 168 | 83.4 | 0 | 0 | 110.2 | R1333 L1334 S1335 R1340 L1341 M1342 | R1333-M1338 VanDerWaalsContact O-CE 3.3Å; R1333-M1338 WeakPolarHBondContact O-CE 3.39Å; L1334-M1338 HydrophobicContact CB-CE 4.32Å; L1334-M1338 HydrophobicContact CD2-CE 3.19Å; L1334-M1338 HydrophobicContact CG-CE 4.22Å; S1335-M1338 CarbonylContact O-C 3.57Å; S1335-M1338 WeakPolarHBondContact O-CA 3.32Å; S1335-M1338 WeakPolarHBondContact O-CB 3Å; S1335-M1338 PolarHBondContact O-N 2.96Å; S1335-M1338 VanDerWaalsContact OG-CB 3.28Å; S1335-M1338 WeakPolarHBondContact OG-CB 3.48Å; S1335-M1338 PolarHBondContact OG-N 3.48Å; S1335-M1338 VanDerWaalsContact OG-N 3.1Å; M1338-R1340 VanDerWaalsContact C-N 3.26Å; M1338-R1340 PolarHBondContact O-N 3.43Å; M1338-L1341 CarbonylContact O-C 3.59Å; M1338-L1341 WeakPolarHBondContact O-CA 3.1Å; M1338-L1341 WeakPolarHBondContact O-CB 3.25Å; M1338-L1341 PolarHBondContact O-N 3.03Å; M1338-M1342 WeakPolarHBondContact O-CG 3.38Å; M1338-M1342 PolarHBondContact O-N 2.96Å |
| 1339 | V | 68.9 | Low | 63.7 | Low | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.012 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -52.1 | -45.9 | 175.7 | 175.4 | 0 | 0 | 0 | 0 | 111 | L1334 S1335 L1341 M1342 L1343 W1426 I1747 | L1334-V1339 HydrophobicContact CB-CG2 4.01Å; S1335-V1339 PolarHBondContact O-N 3.37Å; V1339-L1341 VanDerWaalsContact C-N 3.32Å; V1339-L1341 PolarHBondContact O-N 3.01Å; V1339-M1342 HydrophobicContact CG2-SD 4.43Å; V1339-M1342 WeakPolarHBondContact O-CB 3.48Å; V1339-M1342 PolarHBondContact O-N 3.23Å; V1339-L1343 HydrophobicContact CG1-CD1 3.79Å; V1339-L1343 HydrophobicContact CG1-CG 4.48Å; V1339-L1343 WeakPolarHBondContact O-CG 3.37Å; V1339-L1343 PolarHBondContact O-N 3.11Å; V1339-W1426 HydrophobicContact CB-CE3 4.37Å; V1339-W1426 HydrophobicContact CB-CZ3 4.3Å; V1339-W1426 HydrophobicContact CG1-CE3 3.72Å; V1339-W1426 HydrophobicContact CG1-CZ3 4.15Å; V1339-I1747 HydrophobicContact CG1-CD1 4.37Å; V1339-I1747 HydrophobicContact CG1-CG1 4.31Å; V1339-I1747 HydrophobicContact CG1-CG2 3.93Å |
| 1340 | R | 66.2 | Low | 62.6 | Low | 87 Ų | 87 | 50.3 Ų | 50.3 | 33% | 0.328 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.6 | -37.8 | 175.6 | -164 | 175.6 | -171.3 | 166.6 | -1.3 | 112.6 | S1336 S1337 M1338 N1344 N1429 | S1336-R1340 WeakPolarHBondContact O-CB 3.48Å; S1336-R1340 PolarHBondContact O-N 2.76Å; S1337-R1340 PolarHBondContact O-N 2.84Å; M1338-R1340 VanDerWaalsContact C-N 3.26Å; M1338-R1340 PolarHBondContact O-N 3.43Å; R1340-N1344 VanDerWaalsContact O-CB 3.24Å; R1340-N1344 WeakPolarHBondContact O-CB 3.48Å; R1340-N1344 VanDerWaalsContact O-CG 3.25Å; R1340-N1344 PolarHBondContact O-N 2.76Å; R1340-N1344 PolarHBondContact O-ND2 3.25Å; R1340-N1429 PolarHBondContact NE-OD1 3.06Å |
| 1341 | L | 64.2 | Low | 61.4 | Low | 124 Ų | 124 | 53 Ų | 53 | 65% | 0.649 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -65.2 | -41.2 | 174 | -159.6 | 94.6 | 0 | 0 | 0 | 111.7 | S1337 M1338 V1339 N1344 | S1337-L1341 PolarHBondContact O-N 3.21Å; M1338-L1341 CarbonylContact O-C 3.59Å; M1338-L1341 WeakPolarHBondContact O-CA 3.1Å; M1338-L1341 WeakPolarHBondContact O-CB 3.25Å; M1338-L1341 PolarHBondContact O-N 3.03Å; V1339-L1341 VanDerWaalsContact C-N 3.32Å; V1339-L1341 PolarHBondContact O-N 3.01Å; L1341-N1344 PolarHBondContact O-N 2.85Å |
| 1342 | M | 69.2 | Low | 60.1 | Low | 7 Ų | 7 | 54.6 Ų | 54.6 | 3% | 0.034 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.1 | -50.6 | 176.1 | -36.7 | 170.9 | 56.5 | 0 | 0 | 110 | R816 L1334 M1338 V1339 N1344 C1345 L1588 I1747 | R816-M1342 VanDerWaalsContact CZ-CE 3.47Å; R816-M1342 VanDerWaalsContact CZ-CG 3.46Å; R816-M1342 PolarHBondContact NH2-SD 2.76Å; L1334-M1342 HydrophobicContact CD2-SD 4.08Å; M1338-M1342 WeakPolarHBondContact O-CG 3.38Å; M1338-M1342 PolarHBondContact O-N 2.96Å; V1339-M1342 HydrophobicContact CG2-SD 4.43Å; V1339-M1342 WeakPolarHBondContact O-CB 3.48Å; V1339-M1342 PolarHBondContact O-N 3.23Å; M1342-N1344 VanDerWaalsContact C-N 3.29Å; M1342-N1344 PolarHBondContact O-N 3.28Å; M1342-C1345 VanDerWaalsContact O-CB 3.22Å; M1342-C1345 WeakPolarHBondContact O-CB 3.41Å; M1342-C1345 PolarHBondContact O-N 3Å; M1342-C1345 VanDerWaalsContact O-N 3.08Å; M1342-L1588 WeakPolarHBondContact CE-O 3.28Å; M1342-I1747 HydrophobicContact CE-CD1 3.82Å; M1342-I1747 HydrophobicContact CE-CG1 3.98Å; M1342-I1747 HydrophobicContact SD-CD1 3.93Å; M1342-I1747 HydrophobicContact SD-CG1 4.01Å |
| 1343 | L | 67.7 | Low | 58.8 | Low | 7 Ų | 7 | 57 Ų | 57 | 4% | 0.037 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -72.4 | -23.9 | -176.5 | -65.1 | 171.1 | 0 | 0 | 0 | 112.2 | V1339 C1345 N1346 W1426 Y1427 I1747 | V1339-L1343 HydrophobicContact CG1-CD1 3.79Å; V1339-L1343 HydrophobicContact CG1-CG 4.48Å; V1339-L1343 WeakPolarHBondContact O-CG 3.37Å; V1339-L1343 PolarHBondContact O-N 3.11Å; L1343-C1345 PolarHBondContact O-N 2.96Å; L1343-N1346 WeakPolarHBondContact O-CB 3.4Å; L1343-N1346 PolarHBondContact O-N 3.33Å; L1343-W1426 WeakPolarHBondContact CD1-O 3.32Å; L1343-Y1427 HydrophobicContact CD1-CD1 4.15Å; L1343-Y1427 HydrophobicContact CD2-CD1 3.8Å; L1343-Y1427 HydrophobicContact CD2-CE1 4.22Å; L1343-I1747 HydrophobicContact CD1-CD1 4.39Å; L1343-I1747 HydrophobicContact CD2-CD1 3.88Å; L1343-I1747 HydrophobicContact CG-CD1 4.05Å |
| 1344 | N | 62.3 | Low | 57.4 | Low | 56 Ų | 56 | 54.4 Ų | 54.4 | 30% | 0.299 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.5 | -23.1 | 169.8 | -92 | -26.7 | 0 | 0 | 0 | 112.9 | R1340 L1341 M1342 N1346 S1347 N1429 | R1340-N1344 VanDerWaalsContact O-CB 3.24Å; R1340-N1344 WeakPolarHBondContact O-CB 3.48Å; R1340-N1344 VanDerWaalsContact O-CG 3.25Å; R1340-N1344 PolarHBondContact O-N 2.76Å; R1340-N1344 PolarHBondContact O-ND2 3.25Å; L1341-N1344 PolarHBondContact O-N 2.85Å; M1342-N1344 VanDerWaalsContact C-N 3.29Å; M1342-N1344 PolarHBondContact O-N 3.28Å; N1344-N1346 PolarHBondContact O-N 2.72Å; N1344-N1346 VanDerWaalsContact O-N 3.14Å; N1344-S1347 WeakPolarHBondContact O-CB 3.39Å; N1344-S1347 PolarHBondContact O-N 3.06Å; N1344-N1429 PolarHBondContact OD1-ND2 3.21Å |
| 1345 | C | 55.1 | Low | 56.1 | Low | 51 Ų | 51 | 59.3 Ų | 59.3 | 35% | 0.345 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -62.2 | -16.6 | 171.7 | -64.3 | 0 | 0 | 0 | 0 | 112.3 | M1342 L1343 S1347 M1348 | M1342-C1345 VanDerWaalsContact O-CB 3.22Å; M1342-C1345 WeakPolarHBondContact O-CB 3.41Å; M1342-C1345 PolarHBondContact O-N 3Å; M1342-C1345 VanDerWaalsContact O-N 3.08Å; L1343-C1345 PolarHBondContact O-N 2.96Å; C1345-S1347 PolarHBondContact O-N 2.88Å; C1345-M1348 WeakPolarHBondContact O-CB 3.38Å; C1345-M1348 PolarHBondContact O-N 2.8Å |
| 1346 | N | 49.2 | Very low | 54.7 | Low | 34 Ų | 34 | 60.3 Ų | 60.3 | 18% | 0.182 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -62 | -18.8 | 171.1 | -75.1 | -16 | 0 | 0 | 0 | 113.7 | L1343 N1344 M1348 N1349 | L1343-N1346 WeakPolarHBondContact O-CB 3.4Å; L1343-N1346 PolarHBondContact O-N 3.33Å; N1344-N1346 PolarHBondContact O-N 2.72Å; N1344-N1346 VanDerWaalsContact O-N 3.14Å; N1346-M1348 PolarHBondContact O-N 3.4Å; N1346-N1349 WeakPolarHBondContact O-CB 3.12Å; N1346-N1349 PolarHBondContact O-N 3.1Å; N1346-N1349 PolarHBondContact OD1-ND2 2.97Å |
| 1347 | S | 49.3 | Very low | 53.7 | Low | 58 Ų | 58 | 61.1 Ų | 61.1 | 41% | 0.406 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -56.8 | -18.3 | 170.8 | 174 | 0 | 0 | 0 | 0 | 112.3 | N1344 C1345 W1351 | N1344-S1347 WeakPolarHBondContact O-CB 3.39Å; N1344-S1347 PolarHBondContact O-N 3.06Å; C1345-S1347 PolarHBondContact O-N 2.88Å; S1347-W1351 PolarHBondContact O-NE1 3.28Å |
| 1348 | M | 51.3 | Low | 52.9 | Low | 12 Ų | 12 | 67.1 Ų | 67.1 | 6% | 0.059 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -75.6 | -22.6 | 171.6 | -73.8 | 169.9 | 53.8 | 0 | 0 | 114.3 | F796 R805 A806 A809 C1345 N1346 D1350 W1351 | F796-M1348 HydrophobicContact CE1-CE 4.04Å; F796-M1348 HydrophobicContact CZ-CE 3.96Å; R805-M1348 HydrophobicContact CG-SD 4.19Å; A806-M1348 HydrophobicContact CB-CE 3.88Å; A809-M1348 HydrophobicContact CB-CE 3.97Å; A809-M1348 HydrophobicContact CB-SD 3.83Å; C1345-M1348 WeakPolarHBondContact O-CB 3.38Å; C1345-M1348 PolarHBondContact O-N 2.8Å; N1346-M1348 PolarHBondContact O-N 3.4Å; M1348-D1350 PolarHBondContact O-N 2.81Å; M1348-W1351 PolarHBondContact O-N 3.18Å |
| 1349 | N | 53.2 | Low | 52.3 | Low | 20 Ų | 20 | 67 Ų | 67 | 11% | 0.107 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -65.5 | -31.1 | -179.4 | -62.9 | -16.4 | 0 | 0 | 0 | 111.4 | N1346 W1351 T1592 | N1346-N1349 WeakPolarHBondContact O-CB 3.12Å; N1346-N1349 PolarHBondContact O-N 3.1Å; N1346-N1349 PolarHBondContact OD1-ND2 2.97Å; N1349-W1351 PolarHBondContact O-N 2.88Å; N1349-T1592 PolarHBondContact OD1-N 3.15Å; N1349-T1592 PolarHBondContact OD1-O 3.37Å |
| 1350 | D | 50.3 | Low | 52.2 | Low | 100 Ų | 100 | 73 Ų | 73 | 54% | 0.535 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -68.5 | -17 | 178.2 | -59.1 | -28.1 | 0 | 0 | 0 | 113 | M1348 | M1348-D1350 PolarHBondContact O-N 2.81Š|
| 1351 | W | 43.8 | Very low | 52.5 | Low | 96 Ų | 96 | 70.3 Ų | 70.3 | 36% | 0.364 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -87.2 | -2.7 | -175.4 | -66.8 | 76.5 | 0 | 0 | 0 | 113.9 | C801 S1347 M1348 N1349 G1353 V1356 | C801-W1351 PolarHBondContact SG-O 3.16Å; S1347-W1351 PolarHBondContact O-NE1 3.28Å; M1348-W1351 PolarHBondContact O-N 3.18Å; N1349-W1351 PolarHBondContact O-N 2.88Å; W1351-G1353 PolarHBondContact O-N 2.96Å; W1351-G1353 VanDerWaalsContact O-N 3.12Å; W1351-V1356 HydrophobicContact CD2-CG2 4.32Å; W1351-V1356 HydrophobicContact CE3-CG2 4.38Å; W1351-V1356 HydrophobicContact CH2-CG2 3.66Å; W1351-V1356 HydrophobicContact CZ2-CG2 3.55Å; W1351-V1356 HydrophobicContact CZ3-CG2 4.08Å |
| 1352 | V | 46.3 | Very low | 53.4 | Low | 40 Ų | 40 | 67.7 Ų | 67.7 | 24% | 0.242 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -68 | -9.6 | 179.8 | -179.6 | 0 | 0 | 0 | 0 | 112.1 | H1593 | V1352-H1593 HydrophobicContact CG2-CB 4.32Š|
| 1353 | G | 43.8 | Very low | 54.3 | Low | 67 Ų | 67 | 67.5 Ų | 67.5 | 69% | 0.691 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -126.4 | 10.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | W1351 K1355 | W1351-G1353 PolarHBondContact O-N 2.96Å; W1351-G1353 VanDerWaalsContact O-N 3.12Å; G1353-K1355 VanDerWaalsContact C-N 3.27Å; G1353-K1355 PolarHBondContact O-N 2.86Å; G1353-K1355 VanDerWaalsContact O-N 3.08Å |
| 1354 | G | 37.8 | Very low | 55.4 | Low | 62 Ų | 62 | 67.8 Ų | 67.8 | 64% | 0.639 | 38% | 0.381 | S | S | * | . | S | Bend | trans | 71.4 | -2.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 1355 | K | 40.5 | Very low | 56.9 | Low | 145 Ų | 145 | 65.1 Ų | 65.1 | 63% | 0.63 | 37% | 0.367 | S | S | * | . | trans | -124.8 | 115.9 | 173.7 | -73.8 | 175.1 | -177.2 | 165 | 0 | 110.6 | G1353 S1357 E1619 | G1353-K1355 VanDerWaalsContact C-N 3.27Å; G1353-K1355 PolarHBondContact O-N 2.86Å; G1353-K1355 VanDerWaalsContact O-N 3.08Å; K1355-S1357 VanDerWaalsContact C-N 3.35Å; K1355-S1357 PolarHBondContact O-N 2.79Å; K1355-S1357 VanDerWaalsContact O-N 3.11Å; K1355-E1619 IonicContact NZ-OE2 2.73Å; K1355-E1619 PolarHBondContact NZ-OE2 2.92Å | ||
| 1356 | V | 36.7 | Very low | 58.7 | Low | 78 Ų | 78 | 63 Ų | 63 | 47% | 0.473 | 35% | 0.352 | S | S | . | . | trans | -79.6 | 81.7 | 170 | -176.8 | 0 | 0 | 0 | 0 | 108.3 | W1351 R1358 | W1351-V1356 HydrophobicContact CD2-CG2 4.32Å; W1351-V1356 HydrophobicContact CE3-CG2 4.38Å; W1351-V1356 HydrophobicContact CH2-CG2 3.66Å; W1351-V1356 HydrophobicContact CZ2-CG2 3.55Å; W1351-V1356 HydrophobicContact CZ3-CG2 4.08Å; V1356-R1358 HydrophobicContact CG1-CG 4.1Å | ||
| 1357 | S | 43.1 | Very low | 60.9 | Low | 86 Ų | 86 | 61.4 Ų | 61.4 | 60% | 0.601 | 34% | 0.344 | S | S | * | . | trans | -82.7 | 109.5 | 158.7 | 51.2 | 0 | 0 | 0 | 0 | 107.3 | K1355 S1359 | K1355-S1357 VanDerWaalsContact C-N 3.35Å; K1355-S1357 PolarHBondContact O-N 2.79Å; K1355-S1357 VanDerWaalsContact O-N 3.11Å; S1357-S1359 PolarHBondContact O-N 2.85Å | ||
| 1358 | R | 45.3 | Very low | 63.1 | Low | 216 Ų | 216 | 58.7 Ų | 58.7 | 82% | 0.815 | 33% | 0.325 | S | S | * | . | trans | -70.5 | 52.1 | 174 | -74.6 | -178.9 | 170.4 | 169.1 | -1.7 | 111.2 | V1356 | V1356-R1358 HydrophobicContact CG1-CG 4.1Š| ||
| 1359 | S | 54.3 | Low | 65.2 | Low | 59 Ų | 59 | 58.2 Ų | 58.2 | 41% | 0.413 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -86.2 | 147 | 176.6 | 56.6 | 0 | 0 | 0 | 0 | 111.1 | S1357 | S1357-S1359 PolarHBondContact O-N 2.85Š|
| 1360 | Q | 65.9 | Low | 67.1 | Low | 128 Ų | 128 | 57.4 Ų | 57.4 | 60% | 0.598 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 144.9 | 169.7 | -73 | -177.5 | -15.7 | 0 | 0 | 109.6 | E1362 S1624 | Q1360-E1362 PolarHBondContact O-N 3.41Å; Q1360-S1624 PolarHBondContact O-OG 2.83Å |
| 1361 | P | 73.1 | Confident | 69.1 | Low | 30 Ų | 30 | 52.7 Ų | 52.7 | 20% | 0.195 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -55.9 | 128.9 | 176.4 | 20 | -29.6 | 0 | 0 | 0 | 111.3 | L1418 Y1428 S1624 V1626 | P1361-L1418 HydrophobicContact CB-CD2 4.19Å; P1361-L1418 HydrophobicContact CG-CD2 3.74Å; P1361-L1418 WeakPolarHBondContact O-CD2 3.41Å; P1361-Y1428 HydrophobicContact CG-CD2 4.44Å; P1361-Y1428 HydrophobicContact CG-CE2 3.62Å; P1361-S1624 VanDerWaalsContact CA-OG 3.23Å; P1361-S1624 WeakPolarHBondContact CA-OG 3.42Å; P1361-V1626 HydrophobicContact CB-CB 3.97Å; P1361-V1626 HydrophobicContact CB-CG1 4.1Å; P1361-V1626 HydrophobicContact CG-CB 4.13Å; P1361-V1626 HydrophobicContact CG-CG1 4.24Å |
| 1362 | E | 82.8 | Confident | 71.3 | Confident | 70 Ų | 70 | 51 Ų | 51 | 33% | 0.327 | 29% | 0.287 | S | S | . | . | trans | -88.2 | -30.1 | -178.9 | -66.8 | 175.3 | -158.9 | 0 | 0 | 112.1 | Q1360 L1418 H1621 P1623 S1624 | Q1360-E1362 PolarHBondContact O-N 3.41Å; E1362-L1418 PolarHBondContact O-N 2.83Å; E1362-H1621 IonicContact OE1-CE1 3.82Å; E1362-H1621 IonicContact OE1-NE2 3.14Å; E1362-H1621 PolarHBondContact OE1-NE2 2.94Å; E1362-H1621 IonicContact OE2-CD2 3.74Å; E1362-H1621 IonicContact OE2-NE2 3.12Å; E1362-H1621 PolarHBondContact OE2-NE2 3.18Å; E1362-P1623 HydrophobicContact CB-CB 4.01Å; E1362-P1623 WeakPolarHBondContact OE2-CB 3.15Å; E1362-S1624 PolarHBondContact N-O 3.09Å; E1362-S1624 PolarHBondContact N-OG 2.8Å | ||
| 1363 | V | 88.1 | Confident | 73.4 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.018 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 137.1 | -175.4 | 177.7 | 0 | 0 | 0 | 0 | 109.7 | Y1602 P1623 S1624 V1625 V1626 | V1363-Y1602 HydrophobicContact CG1-CD1 4.44Å; V1363-Y1602 HydrophobicContact CG1-CD2 3.88Å; V1363-Y1602 HydrophobicContact CG1-CE2 4.05Å; V1363-Y1602 HydrophobicContact CG1-CG 4.06Å; V1363-Y1602 HydrophobicContact CG2-CD1 3.48Å; V1363-Y1602 VanDerWaalsContact CG2-CD1 3.48Å; V1363-Y1602 HydrophobicContact CG2-CD2 4.38Å; V1363-Y1602 HydrophobicContact CG2-CE1 3.48Å; V1363-Y1602 VanDerWaalsContact CG2-CE1 3.48Å; V1363-Y1602 HydrophobicContact CG2-CE2 4.38Å; V1363-Y1602 HydrophobicContact CG2-CG 3.93Å; V1363-P1623 HydrophobicContact CG2-CB 3.83Å; V1363-P1623 HydrophobicContact CG2-CG 3.98Å; V1363-S1624 PolarHBondContact N-O 3.34Å; V1363-V1625 HydrophobicContact CB-CG2 4.27Å; V1363-V1625 CarbonylContact O-C 3.56Å; V1363-V1625 WeakPolarHBondContact O-CA 3.28Å; V1363-V1626 PolarHBondContact O-N 2.99Å |
| 1364 | E | 91.3 | Very high | 75.6 | Confident | 13 Ų | 13 | 50.4 Ų | 50.4 | 6% | 0.061 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 144.4 | 169.5 | 68.5 | 172.8 | 174.5 | 0 | 0 | 112.3 | L1415 Q1416 L1418 V1626 R1628 | E1364-L1415 WeakPolarHBondContact O-CA 3.47Å; E1364-Q1416 HydrophobicContact CG-CG 3.61Å; E1364-Q1416 PolarHBondContact N-O 3.25Å; E1364-Q1416 PolarHBondContact O-N 2.93Å; E1364-Q1416 PolarHBondContact OE1-NE2 3.02Å; E1364-L1418 HydrophobicContact CB-CB 4.34Å; E1364-L1418 HydrophobicContact CB-CD1 3.93Å; E1364-L1418 HydrophobicContact CG-CD1 4.19Å; E1364-L1418 WeakPolarHBondContact OE2-CD1 3.22Å; E1364-V1626 CarbonylContact C-O 3.5Å; E1364-V1626 WeakPolarHBondContact CA-O 3.44Å; E1364-V1626 HydrophobicContact CB-CG1 3.74Å; E1364-R1628 IonicContact OE1-NH2 3.96Å; E1364-R1628 IonicContact OE2-CZ 3.73Å; E1364-R1628 IonicContact OE2-NE 3.72Å; E1364-R1628 PolarHBondContact OE2-NE 2.94Å; E1364-R1628 IonicContact OE2-NH2 2.73Å; E1364-R1628 PolarHBondContact OE2-NH2 3.14Å |
| 1365 | V | 93.6 | Very high | 78 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 119.9 | 170.8 | -174.9 | 0 | 0 | 0 | 0 | 108.1 | L1367 V1414 L1415 W1579 I1598 V1625 V1626 V1627 R1628 | V1365-L1367 HydrophobicContact CG1-CD2 3.84Å; V1365-L1367 HydrophobicContact CG1-CG 4.16Å; V1365-V1414 CarbonylContact C-O 3.59Å; V1365-V1414 VanDerWaalsContact CA-O 3.27Å; V1365-V1414 WeakPolarHBondContact CA-O 3.29Å; V1365-L1415 HydrophobicContact CG2-CG 4.31Å; V1365-W1579 HydrophobicContact CG1-CH2 4.2Å; V1365-W1579 HydrophobicContact CG1-CZ3 3.78Å; V1365-I1598 HydrophobicContact CG2-CD1 4.25Å; V1365-I1598 HydrophobicContact CG2-CG2 3.72Å; V1365-V1625 HydrophobicContact CG2-CG1 3.6Å; V1365-V1626 PolarHBondContact N-O 3.49Å; V1365-V1627 HydrophobicContact CB-CB 4.41Å; V1365-V1627 HydrophobicContact CB-CG1 4.27Å; V1365-V1627 HydrophobicContact CB-CG2 4.05Å; V1365-V1627 HydrophobicContact CG1-CG1 4.4Å; V1365-V1627 HydrophobicContact CG2-CG2 4.2Å; V1365-V1627 WeakPolarHBondContact O-CA 3.5Å; V1365-R1628 PolarHBondContact O-N 3.26Å |
| 1366 | V | 93.4 | Very high | 80.2 | Confident | 7 Ų | 7 | 46.7 Ų | 46.7 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 118.1 | 174.6 | -177.6 | 0 | 0 | 0 | 0 | 108.6 | A1413 V1414 V1630 I1752 | V1366-A1413 WeakPolarHBondContact O-CA 3.25Å; V1366-V1414 HydrophobicContact CB-CB 4.31Å; V1366-V1414 PolarHBondContact N-O 3.06Å; V1366-V1414 PolarHBondContact O-N 2.6Å; V1366-V1630 HydrophobicContact CG1-CB 4.3Å; V1366-V1630 HydrophobicContact CG1-CG1 3.86Å; V1366-V1630 HydrophobicContact CG1-CG2 3.42Å; V1366-V1630 VanDerWaalsContact CG1-CG2 3.42Å; V1366-I1752 HydrophobicContact CG1-CD1 4.45Å |
| 1367 | L | 95.7 | Very high | 82.5 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 125.1 | 178.1 | -60.2 | -179.7 | 0 | 0 | 0 | 110.1 | V1365 L1411 T1412 A1413 W1579 V1582 Y1583 V1627 R1628 C1629 V1630 | V1365-L1367 HydrophobicContact CG1-CD2 3.84Å; V1365-L1367 HydrophobicContact CG1-CG 4.16Å; L1367-L1411 HydrophobicContact CB-CD1 4.39Å; L1367-T1412 WeakPolarHBondContact CA-O 3.46Å; L1367-A1413 HydrophobicContact CD2-CB 3.42Å; L1367-A1413 VanDerWaalsContact CD2-CB 3.42Å; L1367-W1579 HydrophobicContact CD2-CE3 3.83Å; L1367-W1579 HydrophobicContact CD2-CZ3 4.13Å; L1367-V1582 HydrophobicContact CD1-CG1 4.02Å; L1367-Y1583 HydrophobicContact CB-CD2 4.26Å; L1367-Y1583 HydrophobicContact CD1-CD2 4.45Å; L1367-V1627 HydrophobicContact CD1-CG1 3.63Å; L1367-V1627 HydrophobicContact CG-CG1 4.04Å; L1367-R1628 PolarHBondContact N-O 3.18Å; L1367-C1629 WeakPolarHBondContact O-CA 3.36Å; L1367-V1630 PolarHBondContact O-N 2.88Å |
| 1368 | C | 95.6 | Very high | 84.6 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.007 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 128.3 | -179.5 | 175.6 | 0 | 0 | 0 | 0 | 110.1 | T1412 V1630 M1633 | C1368-T1412 PolarHBondContact N-O 3.19Å; C1368-T1412 PolarHBondContact O-N 2.85Å; C1368-V1630 HydrophobicContact CB-CG2 3.95Å; C1368-M1633 HydrophobicContact CB-CE 3.7Å; C1368-M1633 HydrophobicContact CB-CG 3.72Å; C1368-M1633 HydrophobicContact CB-SD 3.85Å |
| 1369 | T | 95.4 | Very high | 86.6 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | trans | -106 | -4.4 | 179.1 | 47.8 | 0 | 0 | 0 | 0 | 113.3 | S1371 D1382 I1385 T1410 L1411 F1543 Y1583 | T1369-S1371 PolarHBondContact O-N 2.85Å; T1369-S1371 PolarHBondContact O-OG 2.95Å; T1369-D1382 VanDerWaalsContact OG1-CB 3.25Å; T1369-D1382 WeakPolarHBondContact OG1-CB 3.38Å; T1369-I1385 VanDerWaalsContact O-CD1 3.25Å; T1369-I1385 WeakPolarHBondContact O-CD1 3.45Å; T1369-T1410 CarbonylContact C-O 3.52Å; T1369-L1411 HydrophobicContact CG2-CB 4.39Å; T1369-L1411 HydrophobicContact CG2-CD1 3.59Å; T1369-F1543 HydrophobicContact CG2-CD1 3.92Å; T1369-F1543 HydrophobicContact CG2-CD2 3.8Å; T1369-F1543 HydrophobicContact CG2-CE1 3.89Å; T1369-F1543 HydrophobicContact CG2-CE2 3.78Å; T1369-F1543 HydrophobicContact CG2-CG 3.91Å; T1369-F1543 HydrophobicContact CG2-CZ 3.83Å; T1369-Y1583 HydrophobicContact CG2-CD1 4.47Å; T1369-Y1583 HydrophobicContact CG2-CD2 3.99Å; T1369-Y1583 HydrophobicContact CG2-CE1 4.05Å; T1369-Y1583 HydrophobicContact CG2-CE2 3.51Å; T1369-Y1583 HydrophobicContact CG2-CG 4.43Å; T1369-Y1583 PolarHBondContact OG1-OH 3.1Å | ||
| 1370 | A | 93.2 | Very high | 88.4 | Confident | 3 Ų | 3 | 31.1 Ų | 31.1 | 3% | 0.025 | 17% | 0.165 | C | C | . | . | trans | -59.1 | 128.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | I1379 C1380 Y1381 H1631 L1636 | A1370-I1379 HydrophobicContact CB-CG2 3.96Å; A1370-C1380 WeakPolarHBondContact CA-O 3.14Å; A1370-Y1381 HydrophobicContact CB-CD1 4.05Å; A1370-Y1381 HydrophobicContact CB-CE1 4.24Å; A1370-H1631 WeakPolarHBondContact CB-O 3.32Å; A1370-L1636 HydrophobicContact CB-CD2 3.61Å | ||
| 1371 | S | 92.5 | Very high | 89.7 | Confident | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.014 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 130.3 | -170.1 | -60.6 | 0 | 0 | 0 | 0 | 109.9 | T1369 C1380 T1410 | T1369-S1371 PolarHBondContact O-N 2.85Å; T1369-S1371 PolarHBondContact O-OG 2.95Å; S1371-C1380 PolarHBondContact N-O 2.65Å; S1371-C1380 PolarHBondContact O-N 2.88Å; S1371-T1410 PolarHBondContact OG-N 2.82Å; S1371-T1410 PolarHBondContact OG-O 3.31Å; S1371-T1410 VanDerWaalsContact OG-O 3.12Å; S1371-T1410 PolarHBondContact OG-OG1 2.85Å |
| 1372 | R | 89.7 | Confident | 90.6 | Very high | 61 Ų | 61 | 24.5 Ų | 24.5 | 23% | 0.23 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 126 | 175.3 | -166.6 | 172.6 | -67 | -112.3 | -2.5 | 110 | D1377 L1636 D1640 | R1372-D1377 WeakPolarHBondContact CD-O 3.41Å; R1372-D1377 WeakPolarHBondContact CD-OD1 3.33Å; R1372-D1377 VanDerWaalsContact CG-O 3.29Å; R1372-D1377 WeakPolarHBondContact CG-O 3.26Å; R1372-D1377 IonicContact CZ-OD2 3.56Å; R1372-D1377 PolarHBondContact NH1-O 3.34Å; R1372-D1377 VanDerWaalsContact NH1-O 3.16Å; R1372-D1377 IonicContact NH1-OD2 3.52Å; R1372-D1377 PolarHBondContact NH1-OD2 2.7Å; R1372-L1636 PolarHBondContact NH2-O 3.13Å; R1372-L1636 VanDerWaalsContact NH2-O 3.13Å; R1372-D1640 IonicContact CZ-OD1 3.86Å; R1372-D1640 IonicContact NH1-OD1 2.73Å; R1372-D1640 PolarHBondContact NH1-OD1 2.5Å; R1372-D1640 IonicContact NH2-OD1 2.78Å; R1372-D1640 PolarHBondContact NH2-OD1 3.05Å; R1372-D1640 IonicContact NH2-OD2 3.78Å; R1372-D1640 PolarHBondContact NH2-OD2 2.9Å |
| 1373 | C | 90.3 | Very high | 91 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | trans | -69.6 | 123.2 | 176.9 | -179.6 | 0 | 0 | 0 | 0 | 109.4 | N1375 D1377 V1378 C1400 C1403 | C1373-N1375 PolarHBondContact O-N 2.94Å; C1373-N1375 VanDerWaalsContact O-N 3.11Å; C1373-D1377 WeakPolarHBondContact O-CA 3.5Å; C1373-D1377 PolarHBondContact O-N 2.85Å; C1373-V1378 PolarHBondContact N-O 2.88Å; C1373-C1400 HydrophobicContact CB-CB 4.45Å; C1373-C1403 VanDerWaalsContact SG-SG 3.62Å | ||
| 1374 | P | 89.2 | Confident | 91.3 | Very high | 94 Ų | 94 | 22 Ų | 22 | 61% | 0.61 | 12% | 0.119 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -14.7 | -176.4 | 27.8 | -35.8 | 0 | 0 | 0 | 113.7 | F1407 | P1374-F1407 HydrophobicContact CG-CB 4.01Š|
| 1375 | N | 88.9 | Confident | 91.5 | Very high | 97 Ų | 97 | 21.4 Ų | 21.4 | 52% | 0.519 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -41.3 | -177.6 | -177.1 | 77.1 | 0 | 0 | 0 | 113.3 | C1373 C1403 Q1405 | C1373-N1375 PolarHBondContact O-N 2.94Å; C1373-N1375 VanDerWaalsContact O-N 3.11Å; N1375-C1403 PolarHBondContact ND2-SG 2.9Å; N1375-C1403 VanDerWaalsContact ND2-SG 3.38Å; N1375-Q1405 HydrophobicContact CB-CB 4.21Å; N1375-Q1405 HydrophobicContact CB-CG 4.22Å |
| 1376 | C | 86.5 | Confident | 91.6 | Very high | 31 Ų | 31 | 21.6 Ų | 21.6 | 21% | 0.209 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 0.8 | -178.1 | 67.6 | 0 | 0 | 0 | 0 | 114.1 | V1378 C1403 | C1376-V1378 HydrophobicContact CB-CG2 4.5Å; C1376-V1378 PolarHBondContact O-N 3.07Å; C1376-C1403 HydrophobicContact CB-CB 3.67Å |
| 1377 | D | 85.5 | Confident | 91.6 | Very high | 75 Ų | 75 | 22.6 Ų | 22.6 | 40% | 0.401 | 13% | 0.126 | S | C | . | . | trans | 60.3 | 8.8 | 178.8 | -149.1 | 57.4 | 0 | 0 | 0 | 115.7 | R1372 C1373 | R1372-D1377 WeakPolarHBondContact CD-O 3.41Å; R1372-D1377 WeakPolarHBondContact CD-OD1 3.33Å; R1372-D1377 VanDerWaalsContact CG-O 3.29Å; R1372-D1377 WeakPolarHBondContact CG-O 3.26Å; R1372-D1377 IonicContact CZ-OD2 3.56Å; R1372-D1377 PolarHBondContact NH1-O 3.34Å; R1372-D1377 VanDerWaalsContact NH1-O 3.16Å; R1372-D1377 IonicContact NH1-OD2 3.52Å; R1372-D1377 PolarHBondContact NH1-OD2 2.7Å; C1373-D1377 WeakPolarHBondContact O-CA 3.5Å; C1373-D1377 PolarHBondContact O-N 2.85Å | ||
| 1378 | V | 85.8 | Confident | 91.5 | Very high | 19 Ų | 19 | 23.2 Ų | 23.2 | 12% | 0.115 | 13% | 0.133 | C | C | . | . | P | Polyproline II helix | trans | -83 | 137 | 177 | -177.5 | 0 | 0 | 0 | 0 | 110.4 | C1373 C1376 C1380 F1402 H1731 | C1373-V1378 PolarHBondContact N-O 2.88Å; C1376-V1378 HydrophobicContact CB-CG2 4.5Å; C1376-V1378 PolarHBondContact O-N 3.07Å; V1378-C1380 PolarHBondContact O-N 3.43Å; V1378-F1402 HydrophobicContact CB-CD2 3.85Å; V1378-F1402 HydrophobicContact CB-CE2 4.27Å; V1378-F1402 HydrophobicContact CG1-CD2 3.47Å; V1378-F1402 VanDerWaalsContact CG1-CD2 3.47Å; V1378-F1402 HydrophobicContact CG1-CE2 3.44Å; V1378-F1402 VanDerWaalsContact CG1-CE2 3.44Å; V1378-F1402 HydrophobicContact CG1-CG 4.23Å; V1378-F1402 HydrophobicContact CG1-CZ 4.19Å; V1378-H1731 HydrophobicContact CG1-CB 3.88Å |
| 1379 | I | 88.8 | Confident | 91.4 | Very high | 19 Ų | 19 | 23.7 Ų | 23.7 | 10% | 0.097 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 122.1 | 173.6 | -62.2 | 167.5 | 0 | 0 | 0 | 109.6 | A1370 Y1381 L1636 H1637 | A1370-I1379 HydrophobicContact CB-CG2 3.96Å; I1379-Y1381 HydrophobicContact CB-CE2 4.47Å; I1379-Y1381 HydrophobicContact CG2-CD2 4.35Å; I1379-Y1381 HydrophobicContact CG2-CE1 4.46Å; I1379-Y1381 HydrophobicContact CG2-CE2 3.9Å; I1379-L1636 HydrophobicContact CD1-CD2 3.92Å; I1379-L1636 HydrophobicContact CD1-CG 3.9Å; I1379-L1636 HydrophobicContact CG1-CD2 4.26Å; I1379-L1636 HydrophobicContact CG1-CG 4.34Å; I1379-L1636 HydrophobicContact CG2-CD2 3.8Å; I1379-H1637 WeakPolarHBondContact CD1-CE1 3.36Å |
| 1380 | C | 91.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 131.5 | 171.7 | -56.4 | 0 | 0 | 0 | 0 | 109 | A1370 S1371 V1378 E1384 I1385 F1407 | A1370-C1380 WeakPolarHBondContact CA-O 3.14Å; S1371-C1380 PolarHBondContact N-O 2.65Å; S1371-C1380 PolarHBondContact O-N 2.88Å; V1378-C1380 PolarHBondContact O-N 3.43Å; C1380-E1384 WeakPolarHBondContact CA-OE2 3.36Å; C1380-I1385 HydrophobicContact CB-CD1 4.36Å; C1380-I1385 HydrophobicContact CB-CG1 3.93Å; C1380-I1385 WeakPolarHBondContact O-CD1 3.4Å; C1380-F1407 HydrophobicContact CB-CZ 4.15Å |
| 1381 | Y | 92.4 | Very high | 91 | Very high | 15 Ų | 15 | 27 Ų | 27 | 6% | 0.059 | 15% | 0.151 | C | C | . | . | P | Polyproline II helix | trans | -94.2 | 168.6 | -179.7 | -68.8 | -92 | 0 | 0 | 0 | 112.2 | A1370 I1379 N1383 E1384 I1385 H1631 D1632 R1690 F1694 | A1370-Y1381 HydrophobicContact CB-CD1 4.05Å; A1370-Y1381 HydrophobicContact CB-CE1 4.24Å; I1379-Y1381 HydrophobicContact CB-CE2 4.47Å; I1379-Y1381 HydrophobicContact CG2-CD2 4.35Å; I1379-Y1381 HydrophobicContact CG2-CE1 4.46Å; I1379-Y1381 HydrophobicContact CG2-CE2 3.9Å; Y1381-N1383 VanDerWaalsContact C-N 3.28Å; Y1381-N1383 PolarHBondContact O-N 2.96Å; Y1381-N1383 VanDerWaalsContact O-N 3.16Å; Y1381-E1384 PolarHBondContact N-OE2 2.86Å; Y1381-E1384 WeakPolarHBondContact O-CB 3.35Å; Y1381-E1384 PolarHBondContact O-N 2.87Å; Y1381-E1384 VanDerWaalsContact O-N 3.09Å; Y1381-I1385 WeakPolarHBondContact O-CG1 3.41Å; Y1381-I1385 PolarHBondContact O-N 2.84Å; Y1381-H1631 WeakPolarHBondContact CD1-O 3.23Å; Y1381-D1632 HydrophobicContact CE1-CB 4.05Å; Y1381-R1690 HydrophobicContact CD2-CG 4.14Å; Y1381-R1690 VanDerWaalsContact CD2-NE 3.34Å; Y1381-R1690 HydrophobicContact CE2-CB 4.42Å; Y1381-R1690 HydrophobicContact CE2-CG 3.61Å; Y1381-F1694 HydrophobicContact CD1-CZ 4.34Å; Y1381-F1694 HydrophobicContact CE1-CE2 4.05Å; Y1381-F1694 AromaticContact CE1-CZ 3.59Å; Y1381-F1694 HydrophobicContact CE1-CZ 3.59Å; Y1381-F1694 AromaticContact CZ-CZ 3.9Å |
| 1382 | D | 91.6 | Very high | 90.6 | Very high | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.016 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -47.8 | -47.3 | -174.5 | 74.9 | -50.4 | 0 | 0 | 0 | 113.8 | T1369 I1385 M1386 R1587 L1749 | T1369-D1382 VanDerWaalsContact OG1-CB 3.25Å; T1369-D1382 WeakPolarHBondContact OG1-CB 3.38Å; D1382-I1385 PolarHBondContact O-N 2.85Å; D1382-M1386 HydrophobicContact CB-CE 4.31Å; D1382-M1386 WeakPolarHBondContact O-CB 3.33Å; D1382-M1386 WeakPolarHBondContact O-CE 3.18Å; D1382-M1386 VanDerWaalsContact O-CG 3.24Å; D1382-M1386 WeakPolarHBondContact O-CG 3.48Å; D1382-M1386 PolarHBondContact O-N 2.81Å; D1382-R1587 IonicContact OD2-CZ 2.82Å; D1382-R1587 IonicContact OD2-NH1 3.68Å; D1382-R1587 PolarHBondContact OD2-NH1 3.25Å; D1382-R1587 IonicContact OD2-NH2 2.77Å; D1382-R1587 PolarHBondContact OD2-NH2 3.49Å; D1382-L1749 HydrophobicContact CB-CD1 4.17Å; D1382-L1749 VanDerWaalsContact CG-CD1 3.48Å; D1382-L1749 WeakPolarHBondContact OD1-CD1 3.43Å |
| 1383 | N | 92.9 | Very high | 90 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -72.3 | -32.9 | -174.2 | 69.7 | -56.7 | 0 | 0 | 0 | 112.3 | Y1381 A1387 R1690 A1739 R1743 | Y1381-N1383 VanDerWaalsContact C-N 3.28Å; Y1381-N1383 PolarHBondContact O-N 2.96Å; Y1381-N1383 VanDerWaalsContact O-N 3.16Å; N1383-A1387 VanDerWaalsContact O-CB 3.26Å; N1383-A1387 WeakPolarHBondContact O-CB 3.42Å; N1383-A1387 PolarHBondContact O-N 3.38Å; N1383-A1387 VanDerWaalsContact O-N 3.08Å; N1383-R1690 PolarHBondContact OD1-NH2 2.85Å; N1383-A1739 WeakPolarHBondContact CB-O 3.02Å; N1383-A1739 WeakPolarHBondContact ND2-CB 3.14Å; N1383-A1739 PolarHBondContact ND2-O 3.34Å; N1383-A1739 VanDerWaalsContact ND2-O 3.11Å; N1383-R1743 HydrophobicContact CB-CB 4.05Å |
| 1384 | E | 94 | Very high | 89.4 | Confident | 19 Ų | 19 | 32 Ų | 32 | 9% | 0.089 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -72.1 | -41.1 | 172.3 | -73.1 | 154.6 | -163.8 | 0 | 0 | 111.7 | C1380 Y1381 A1387 G1388 P1401 R1690 A1739 | C1380-E1384 WeakPolarHBondContact CA-OE2 3.36Å; Y1381-E1384 PolarHBondContact N-OE2 2.86Å; Y1381-E1384 WeakPolarHBondContact O-CB 3.35Å; Y1381-E1384 PolarHBondContact O-N 2.87Å; Y1381-E1384 VanDerWaalsContact O-N 3.09Å; E1384-A1387 PolarHBondContact O-N 3.48Å; E1384-G1388 PolarHBondContact O-N 2.89Å; E1384-P1401 HydrophobicContact CB-CG 4.08Å; E1384-P1401 HydrophobicContact CG-CG 4.31Å; E1384-R1690 IonicContact OE1-CZ 3.53Å; E1384-R1690 IonicContact OE1-NE 3.18Å; E1384-R1690 IonicContact OE1-NH2 3.02Å; E1384-R1690 PolarHBondContact OE1-NH2 2.94Å; E1384-A1739 HydrophobicContact CG-CB 4.27Å |
| 1385 | I | 95.3 | Very high | 88.9 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.1 | -48.5 | 176.4 | -68.1 | 164.5 | 0 | 0 | 0 | 110.1 | T1369 C1380 Y1381 D1382 A1387 G1388 W1389 A1398 P1409 F1543 | T1369-I1385 VanDerWaalsContact O-CD1 3.25Å; T1369-I1385 WeakPolarHBondContact O-CD1 3.45Å; C1380-I1385 HydrophobicContact CB-CD1 4.36Å; C1380-I1385 HydrophobicContact CB-CG1 3.93Å; C1380-I1385 WeakPolarHBondContact O-CD1 3.4Å; Y1381-I1385 WeakPolarHBondContact O-CG1 3.41Å; Y1381-I1385 PolarHBondContact O-N 2.84Å; D1382-I1385 PolarHBondContact O-N 2.85Å; I1385-A1387 VanDerWaalsContact C-N 3.32Å; I1385-A1387 PolarHBondContact O-N 2.81Å; I1385-G1388 CarbonylContact O-C 3.55Å; I1385-G1388 WeakPolarHBondContact O-CA 3.28Å; I1385-G1388 PolarHBondContact O-N 3.38Å; I1385-W1389 HydrophobicContact CG2-CZ2 4.34Å; I1385-W1389 PolarHBondContact O-N 3.36Å; I1385-A1398 HydrophobicContact CG2-CB 3.99Å; I1385-P1409 HydrophobicContact CD1-CB 3.95Å; I1385-P1409 HydrophobicContact CG1-CB 4.33Å; I1385-P1409 HydrophobicContact CG2-CB 3.84Å; I1385-P1409 HydrophobicContact CG2-CG 3.69Å; I1385-F1543 HydrophobicContact CB-CE1 4.49Å; I1385-F1543 HydrophobicContact CG2-CD1 3.83Å; I1385-F1543 HydrophobicContact CG2-CE1 3.9Å |
| 1386 | M | 95.1 | Very high | 88.5 | Confident | 5 Ų | 5 | 25.4 Ų | 25.4 | 3% | 0.025 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.5 | -39.4 | 177.2 | -72.7 | -172.8 | -70.5 | 0 | 0 | 112.2 | W777 L781 D1382 G1388 W1389 C1742 F1746 | W777-M1386 PolarHBondContact NE1-O 3.27Å; L781-M1386 HydrophobicContact CD1-CB 3.92Å; D1382-M1386 HydrophobicContact CB-CE 4.31Å; D1382-M1386 WeakPolarHBondContact O-CB 3.33Å; D1382-M1386 WeakPolarHBondContact O-CE 3.18Å; D1382-M1386 VanDerWaalsContact O-CG 3.24Å; D1382-M1386 WeakPolarHBondContact O-CG 3.48Å; D1382-M1386 PolarHBondContact O-N 2.81Å; M1386-G1388 VanDerWaalsContact C-N 3.25Å; M1386-G1388 PolarHBondContact O-N 2.95Å; M1386-W1389 HydrophobicContact CB-CE3 4.26Å; M1386-W1389 HydrophobicContact CB-CZ3 4.24Å; M1386-W1389 HydrophobicContact CG-CE3 4.11Å; M1386-W1389 HydrophobicContact CG-CH2 3.83Å; M1386-W1389 HydrophobicContact CG-CZ2 4.46Å; M1386-W1389 HydrophobicContact CG-CZ3 3.62Å; M1386-W1389 PolarHBondContact O-N 2.8Å; M1386-W1389 HydrophobicContact SD-CZ3 4.5Å; M1386-C1742 HydrophobicContact CB-CB 4.13Å; M1386-C1742 HydrophobicContact CE-CB 4.24Å; M1386-F1746 HydrophobicContact CE-CD2 4.14Å; M1386-F1746 HydrophobicContact CE-CE2 4.33Å; M1386-F1746 HydrophobicContact SD-CD2 4.14Å; M1386-F1746 HydrophobicContact SD-CE2 3.76Å |
| 1387 | A | 94 | Very high | 88.6 | Confident | 27 Ų | 27 | 26.1 Ų | 26.1 | 22% | 0.223 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.6 | -25.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | N1383 E1384 I1385 A1738 A1739 | N1383-A1387 VanDerWaalsContact O-CB 3.26Å; N1383-A1387 WeakPolarHBondContact O-CB 3.42Å; N1383-A1387 PolarHBondContact O-N 3.38Å; N1383-A1387 VanDerWaalsContact O-N 3.08Å; E1384-A1387 PolarHBondContact O-N 3.48Å; I1385-A1387 VanDerWaalsContact C-N 3.32Å; I1385-A1387 PolarHBondContact O-N 2.81Å; A1387-A1738 HydrophobicContact CB-CB 3.76Å; A1387-A1739 HydrophobicContact CB-CB 4.3Å |
| 1388 | G | 93.2 | Very high | 89 | Confident | 13 Ų | 13 | 22.6 Ų | 22.6 | 13% | 0.134 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -2.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | E1384 I1385 M1386 R1399 | E1384-G1388 PolarHBondContact O-N 2.89Å; I1385-G1388 CarbonylContact O-C 3.55Å; I1385-G1388 WeakPolarHBondContact O-CA 3.28Å; I1385-G1388 PolarHBondContact O-N 3.38Å; M1386-G1388 VanDerWaalsContact C-N 3.25Å; M1386-G1388 PolarHBondContact O-N 2.95Å; G1388-R1399 WeakPolarHBondContact O-CB 3.42Å; G1388-R1399 PolarHBondContact O-N 3.43Å |
| 1389 | W | 94.7 | Very high | 89.3 | Confident | 11 Ų | 11 | 27.8 Ų | 27.8 | 4% | 0.042 | 15% | 0.149 | C | C | . | . | B | Isolated β-bridge | trans | -69.8 | 151.4 | 177.4 | -78.4 | -25.9 | 0 | 0 | 0 | 112.9 | W777 L781 I1385 M1386 F1543 L1544 N1545 L1546 | W777-W1389 HydrophobicContact CZ2-CB 3.98Å; L781-W1389 HydrophobicContact CD1-CE3 4.08Å; L781-W1389 HydrophobicContact CD1-CZ3 4.33Å; L781-W1389 HydrophobicContact CD2-CE3 3.92Å; L781-W1389 HydrophobicContact CD2-CZ3 4.2Å; I1385-W1389 HydrophobicContact CG2-CZ2 4.34Å; I1385-W1389 PolarHBondContact O-N 3.36Å; M1386-W1389 HydrophobicContact CB-CE3 4.26Å; M1386-W1389 HydrophobicContact CB-CZ3 4.24Å; M1386-W1389 HydrophobicContact CG-CE3 4.11Å; M1386-W1389 HydrophobicContact CG-CH2 3.83Å; M1386-W1389 HydrophobicContact CG-CZ2 4.46Å; M1386-W1389 HydrophobicContact CG-CZ3 3.62Å; M1386-W1389 PolarHBondContact O-N 2.8Å; M1386-W1389 HydrophobicContact SD-CZ3 4.5Å; W1389-F1543 HydrophobicContact CH2-CE1 4Å; W1389-F1543 HydrophobicContact CH2-CE2 4.18Å; W1389-F1543 AromaticContact CH2-CZ 3.66Å; W1389-F1543 HydrophobicContact CH2-CZ 3.66Å; W1389-F1543 HydrophobicContact CZ2-CD1 4.01Å; W1389-F1543 AromaticContact CZ2-CE1 3.61Å; W1389-F1543 HydrophobicContact CZ2-CE1 3.61Å; W1389-F1543 HydrophobicContact CZ2-CE2 4.21Å; W1389-F1543 HydrophobicContact CZ2-CG 4.45Å; W1389-F1543 AromaticContact CZ2-CZ 3.72Å; W1389-F1543 HydrophobicContact CZ2-CZ 3.72Å; W1389-L1544 WeakPolarHBondContact CH2-O 3.32Å; W1389-L1544 VanDerWaalsContact CZ2-O 3.27Å; W1389-L1544 WeakPolarHBondContact CZ2-O 3.18Å; W1389-N1545 HydrophobicContact CD2-CB 3.95Å; W1389-N1545 HydrophobicContact CE3-CB 4.47Å; W1389-N1545 HydrophobicContact CG-CB 4.01Å; W1389-L1546 HydrophobicContact CH2-CG 4.13Å; W1389-L1546 HydrophobicContact CZ3-CB 4.44Å; W1389-L1546 HydrophobicContact CZ3-CD1 4.33Å; W1389-L1546 HydrophobicContact CZ3-CG 3.75Å |
| 1390 | F | 90.3 | Very high | 89.6 | Confident | 58 Ų | 58 | 26.9 Ų | 26.9 | 25% | 0.254 | 14% | 0.144 | S | C | . | . | trans | -92.6 | 148.4 | 176.9 | -59.9 | -81.5 | 0 | 0 | 0 | 111.3 | D1392 D1395 N1397 R1399 K1406 N1545 | F1390-D1392 HydrophobicContact CB-CB 4.36Å; F1390-D1392 PolarHBondContact O-N 3.47Å; F1390-D1395 HydrophobicContact CB-CB 4.5Å; F1390-D1395 VanDerWaalsContact CD2-OD2 3.29Å; F1390-D1395 WeakPolarHBondContact CD2-OD2 3.25Å; F1390-N1397 WeakPolarHBondContact CD2-O 3.18Å; F1390-R1399 HydrophobicContact CE2-CB 4.3Å; F1390-R1399 HydrophobicContact CZ-CB 3.84Å; F1390-R1399 HydrophobicContact CZ-CG 4.49Å; F1390-K1406 HydrophobicContact CE2-CD 3.96Å; F1390-K1406 HydrophobicContact CE2-CG 4.02Å; F1390-K1406 HydrophobicContact CZ-CD 4.09Å; F1390-K1406 VanDerWaalsContact CZ-CE 3.4Å; F1390-K1406 HydrophobicContact CZ-CG 4.02Å; F1390-N1545 PolarHBondContact O-ND2 3.47Å | ||
| 1391 | A | 89.1 | Confident | 89.4 | Confident | 15 Ų | 15 | 28.7 Ų | 28.7 | 12% | 0.124 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -78.9 | 59.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111 | A767 R768 W777 | A767-A1391 HydrophobicContact CB-CB 4.17Å; R768-A1391 HydrophobicContact CB-CB 4.34Å; R768-A1391 HydrophobicContact CG-CB 3.82Å; W777-A1391 HydrophobicContact CH2-CB 4.41Å; W777-A1391 HydrophobicContact CZ3-CB 4.21Å |
| 1392 | D | 83.3 | Confident | 89.3 | Confident | 59 Ų | 59 | 29.4 Ų | 29.4 | 32% | 0.316 | 16% | 0.159 | S | C | . | . | trans | -135.2 | 137.3 | -177.7 | -166.7 | -32.7 | 0 | 0 | 0 | 108.4 | F1390 S1394 D1395 | F1390-D1392 HydrophobicContact CB-CB 4.36Å; F1390-D1392 PolarHBondContact O-N 3.47Å; D1392-S1394 VanDerWaalsContact C-N 3.28Å; D1392-S1394 PolarHBondContact OD1-N 3.38Å; D1392-D1395 HydrophobicContact CB-CB 3.86Å | ||
| 1393 | D | 78.9 | Confident | 89.2 | Confident | 29 Ų | 29 | 31 Ų | 31 | 16% | 0.155 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -88.3 | 1.3 | -179.4 | 78.3 | -13.6 | 0 | 0 | 0 | 113.1 | L764 I1547 K1551 | L764-D1393 HydrophobicContact CD1-CB 4.26Å; D1393-I1547 HydrophobicContact CB-CG2 3.8Å; D1393-K1551 HydrophobicContact CB-CD 3.99Å; D1393-K1551 WeakPolarHBondContact O-CD 3.42Å; D1393-K1551 IonicContact OD1-NZ 3.88Å; D1393-K1551 PolarHBondContact OD1-NZ 3.28Å; D1393-K1551 WeakPolarHBondContact OD2-CD 3.26Å; D1393-K1551 WeakPolarHBondContact OD2-CE 3.29Å; D1393-K1551 IonicContact OD2-NZ 2.83Å; D1393-K1551 PolarHBondContact OD2-NZ 3.36Å |
| 1394 | S | 76.4 | Confident | 89.1 | Confident | 82 Ų | 82 | 36.2 Ų | 36.2 | 57% | 0.573 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -126.6 | -9.6 | -177.2 | -56.6 | 0 | 0 | 0 | 0 | 112.9 | D1392 K1551 | D1392-S1394 VanDerWaalsContact C-N 3.28Å; D1392-S1394 PolarHBondContact OD1-N 3.38Å; S1394-K1551 PolarHBondContact OG-NZ 3.25Å |
| 1395 | D | 78.4 | Confident | 89 | Confident | 18 Ų | 18 | 40.2 Ų | 40.2 | 10% | 0.096 | 21% | 0.212 | C | C | . | . | trans | -92.1 | 117.2 | 175.9 | -161.2 | -9.7 | 0 | 0 | 0 | 111.7 | F1390 D1392 N1397 K1406 V1548 | F1390-D1395 HydrophobicContact CB-CB 4.5Å; F1390-D1395 VanDerWaalsContact CD2-OD2 3.29Å; F1390-D1395 WeakPolarHBondContact CD2-OD2 3.25Å; D1392-D1395 HydrophobicContact CB-CB 3.86Å; D1395-N1397 VanDerWaalsContact OD1-CB 3.28Å; D1395-N1397 WeakPolarHBondContact OD1-CB 3.45Å; D1395-N1397 PolarHBondContact OD1-N 3.1Å; D1395-N1397 PolarHBondContact OD1-ND2 3.26Å; D1395-K1406 IonicContact OD2-NZ 3.33Å; D1395-K1406 PolarHBondContact OD2-NZ 3.06Å; D1395-V1548 WeakPolarHBondContact O-CG2 3.33Å | ||
| 1396 | L | 81.5 | Confident | 88.9 | Confident | 34 Ų | 34 | 44.8 Ų | 44.8 | 18% | 0.178 | 23% | 0.231 | C | C | . | . | trans | -89.5 | -8.7 | 177.7 | -66.1 | 175.5 | 0 | 0 | 0 | 113.4 | W1524 L1544 V1548 | L1396-W1524 HydrophobicContact CD1-CE3 4.47Å; L1396-W1524 HydrophobicContact CD1-CH2 3.51Å; L1396-W1524 HydrophobicContact CD1-CZ3 3.26Å; L1396-L1544 HydrophobicContact CD2-CD2 3.63Å; L1396-V1548 HydrophobicContact CD2-CB 4.14Å; L1396-V1548 HydrophobicContact CD2-CG1 3.57Å; L1396-V1548 HydrophobicContact CD2-CG2 4.25Å | ||
| 1397 | N | 88.8 | Confident | 88.8 | Confident | 46 Ų | 46 | 45 Ų | 45 | 25% | 0.246 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -82 | 148.7 | -174.8 | -58.4 | -72.1 | 0 | 0 | 0 | 111.1 | F1390 D1395 K1406 F1407 V1408 | F1390-N1397 WeakPolarHBondContact CD2-O 3.18Å; D1395-N1397 VanDerWaalsContact OD1-CB 3.28Å; D1395-N1397 WeakPolarHBondContact OD1-CB 3.45Å; D1395-N1397 PolarHBondContact OD1-N 3.1Å; D1395-N1397 PolarHBondContact OD1-ND2 3.26Å; N1397-K1406 HydrophobicContact CB-CB 3.91Å; N1397-K1406 HydrophobicContact CB-CD 4.23Å; N1397-K1406 HydrophobicContact CB-CG 4.38Å; N1397-F1407 CarbonylContact C-O 3.5Å; N1397-F1407 VanDerWaalsContact CA-O 3.31Å; N1397-F1407 WeakPolarHBondContact CA-O 3Å; N1397-V1408 WeakPolarHBondContact OD1-CG2 3.22Å |
| 1398 | A | 92.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 147.2 | 159 | 0 | 0 | 0 | 0 | 0 | 109.1 | I1385 K1406 F1407 P1409 | I1385-A1398 HydrophobicContact CG2-CB 3.99Å; A1398-K1406 WeakPolarHBondContact O-CA 3.48Å; A1398-F1407 HydrophobicContact CB-CE1 4.42Å; A1398-F1407 PolarHBondContact N-O 3.39Å; A1398-F1407 WeakPolarHBondContact O-CD1 3.36Å; A1398-F1407 PolarHBondContact O-N 3.1Å; A1398-P1409 HydrophobicContact CB-CG 4.17Å |
| 1399 | R | 93.5 | Very high | 88.8 | Confident | 128 Ų | 128 | 46.1 Ų | 46.1 | 48% | 0.483 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 120.3 | 167.9 | -166.8 | 177.8 | -177 | -172.6 | -1.8 | 108.9 | G1388 F1390 K1404 | G1388-R1399 WeakPolarHBondContact O-CB 3.42Å; G1388-R1399 PolarHBondContact O-N 3.43Å; F1390-R1399 HydrophobicContact CE2-CB 4.3Å; F1390-R1399 HydrophobicContact CZ-CB 3.84Å; F1390-R1399 HydrophobicContact CZ-CG 4.49Å; R1399-K1404 WeakPolarHBondContact CG-O 3.4Å; R1399-K1404 PolarHBondContact NE-O 3.26Å |
| 1400 | C | 93.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -59.3 | 126.3 | 171.9 | 176.7 | 0 | 0 | 0 | 0 | 109.6 | C1373 F1402 C1403 K1404 Q1405 F1407 | C1373-C1400 HydrophobicContact CB-CB 4.45Å; C1400-F1402 PolarHBondContact O-N 3.43Å; C1400-C1403 VanDerWaalsContact SG-SG 3.65Å; C1400-K1404 WeakPolarHBondContact O-CA 3.27Å; C1400-K1404 PolarHBondContact O-N 3.4Å; C1400-Q1405 WeakPolarHBondContact CB-O 3.17Å; C1400-Q1405 PolarHBondContact N-O 3.5Å; C1400-F1407 HydrophobicContact CB-CD1 4.03Å; C1400-F1407 HydrophobicContact CB-CE1 3.91Å |
| 1401 | P | 88.8 | Confident | 89.1 | Confident | 39 Ų | 39 | 45.1 Ų | 45.1 | 25% | 0.253 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -18 | -178.5 | 31 | -39 | 0 | 0 | 0 | 112.5 | E1384 K1404 | E1384-P1401 HydrophobicContact CB-CG 4.08Å; E1384-P1401 HydrophobicContact CG-CG 4.31Å; P1401-K1404 WeakPolarHBondContact O-CE 3.42Å; P1401-K1404 PolarHBondContact O-NZ 3.28Å |
| 1402 | F | 89.5 | Confident | 89.4 | Confident | 30 Ų | 30 | 45 Ų | 45 | 13% | 0.132 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -72.9 | -176.7 | -44.4 | -63.1 | 0 | 0 | 0 | 110.6 | V1378 C1400 K1404 D1730 H1731 | V1378-F1402 HydrophobicContact CB-CD2 3.85Å; V1378-F1402 HydrophobicContact CB-CE2 4.27Å; V1378-F1402 HydrophobicContact CG1-CD2 3.47Å; V1378-F1402 VanDerWaalsContact CG1-CD2 3.47Å; V1378-F1402 HydrophobicContact CG1-CE2 3.44Å; V1378-F1402 VanDerWaalsContact CG1-CE2 3.44Å; V1378-F1402 HydrophobicContact CG1-CG 4.23Å; V1378-F1402 HydrophobicContact CG1-CZ 4.19Å; C1400-F1402 PolarHBondContact O-N 3.43Å; F1402-K1404 VanDerWaalsContact C-N 3.29Å; F1402-K1404 PolarHBondContact O-N 3.07Å; F1402-D1730 HydrophobicContact CD1-CB 4.1Å; F1402-H1731 HydrophobicContact CD1-CB 3.86Å; F1402-H1731 HydrophobicContact CE1-CB 3.57Å; F1402-H1731 HydrophobicContact CE2-CB 4.42Å; F1402-H1731 HydrophobicContact CG-CB 4.41Å; F1402-H1731 HydrophobicContact CZ-CB 3.88Å |
| 1403 | C | 89.2 | Confident | 89.9 | Confident | 37 Ų | 37 | 42.2 Ų | 42.2 | 25% | 0.25 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -0.8 | -178.6 | 69.3 | 0 | 0 | 0 | 0 | 115.3 | C1373 N1375 C1376 C1400 Q1405 | C1373-C1403 VanDerWaalsContact SG-SG 3.62Å; N1375-C1403 PolarHBondContact ND2-SG 2.9Å; N1375-C1403 VanDerWaalsContact ND2-SG 3.38Å; C1376-C1403 HydrophobicContact CB-CB 3.67Å; C1400-C1403 VanDerWaalsContact SG-SG 3.65Å; C1403-Q1405 PolarHBondContact O-N 2.85Å |
| 1404 | K | 90.9 | Very high | 90.7 | Very high | 110 Ų | 110 | 41 Ų | 41 | 48% | 0.478 | 21% | 0.21 | S | C | . | . | trans | 62.7 | 1.5 | 178.8 | -48.4 | -53.1 | -179.6 | -175.4 | 0 | 116 | R1399 C1400 P1401 F1402 | R1399-K1404 WeakPolarHBondContact CG-O 3.4Å; R1399-K1404 PolarHBondContact NE-O 3.26Å; C1400-K1404 WeakPolarHBondContact O-CA 3.27Å; C1400-K1404 PolarHBondContact O-N 3.4Å; P1401-K1404 WeakPolarHBondContact O-CE 3.42Å; P1401-K1404 PolarHBondContact O-NZ 3.28Å; F1402-K1404 VanDerWaalsContact C-N 3.29Å; F1402-K1404 PolarHBondContact O-N 3.07Å | ||
| 1405 | Q | 92.9 | Very high | 91.5 | Very high | 102 Ų | 102 | 37 Ų | 37 | 48% | 0.477 | 18% | 0.183 | S | C | . | . | trans | -73.9 | 147.9 | 176.2 | -68.2 | -63.5 | -5.4 | 0 | 0 | 112 | N1375 C1400 C1403 | N1375-Q1405 HydrophobicContact CB-CB 4.21Å; N1375-Q1405 HydrophobicContact CB-CG 4.22Å; C1400-Q1405 WeakPolarHBondContact CB-O 3.17Å; C1400-Q1405 PolarHBondContact N-O 3.5Å; C1403-Q1405 PolarHBondContact O-N 2.85Å | ||
| 1406 | K | 92 | Very high | 92.2 | Very high | 97 Ų | 97 | 38.7 Ų | 38.7 | 42% | 0.422 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 136.1 | 173.4 | -68.8 | -166.8 | 179.2 | -158.3 | 0 | 109.9 | F1390 D1395 N1397 A1398 | F1390-K1406 HydrophobicContact CE2-CD 3.96Å; F1390-K1406 HydrophobicContact CE2-CG 4.02Å; F1390-K1406 HydrophobicContact CZ-CD 4.09Å; F1390-K1406 VanDerWaalsContact CZ-CE 3.4Å; F1390-K1406 HydrophobicContact CZ-CG 4.02Å; D1395-K1406 IonicContact OD2-NZ 3.33Å; D1395-K1406 PolarHBondContact OD2-NZ 3.06Å; N1397-K1406 HydrophobicContact CB-CB 3.91Å; N1397-K1406 HydrophobicContact CB-CD 4.23Å; N1397-K1406 HydrophobicContact CB-CG 4.38Å; A1398-K1406 WeakPolarHBondContact O-CA 3.48Å |
| 1407 | F | 93.8 | Very high | 92.5 | Very high | 11 Ų | 11 | 39.1 Ų | 39.1 | 5% | 0.048 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 160.7 | 171.5 | 76.7 | -73.2 | 0 | 0 | 0 | 110.6 | P1374 C1380 N1397 A1398 C1400 P1409 | P1374-F1407 HydrophobicContact CG-CB 4.01Å; C1380-F1407 HydrophobicContact CB-CZ 4.15Å; N1397-F1407 CarbonylContact C-O 3.5Å; N1397-F1407 VanDerWaalsContact CA-O 3.31Å; N1397-F1407 WeakPolarHBondContact CA-O 3Å; A1398-F1407 HydrophobicContact CB-CE1 4.42Å; A1398-F1407 PolarHBondContact N-O 3.39Å; A1398-F1407 WeakPolarHBondContact O-CD1 3.36Å; A1398-F1407 PolarHBondContact O-N 3.1Å; C1400-F1407 HydrophobicContact CB-CD1 4.03Å; C1400-F1407 HydrophobicContact CB-CE1 3.91Å; F1407-P1409 HydrophobicContact CE2-CB 4.1Å; F1407-P1409 HydrophobicContact CZ-CB 4.47Å; F1407-P1409 WeakPolarHBondContact O-CD 3.37Å |
| 1408 | V | 92.1 | Very high | 92.4 | Very high | 62 Ų | 62 | 38.4 Ų | 38.4 | 38% | 0.376 | 19% | 0.19 | S | C | . | . | trans | -90.9 | 113.1 | 175.6 | -179 | 0 | 0 | 0 | 0 | 108.7 | N1397 P1542 | N1397-V1408 WeakPolarHBondContact OD1-CG2 3.22Å; V1408-P1542 HydrophobicContact CG1-CB 4.09Å | ||
| 1409 | P | 94.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -71.7 | 160.4 | 175.9 | 30.4 | -33.7 | 0 | 0 | 0 | 111.2 | I1385 A1398 F1407 F1543 | I1385-P1409 HydrophobicContact CD1-CB 3.95Å; I1385-P1409 HydrophobicContact CG1-CB 4.33Å; I1385-P1409 HydrophobicContact CG2-CB 3.84Å; I1385-P1409 HydrophobicContact CG2-CG 3.69Å; A1398-P1409 HydrophobicContact CB-CG 4.17Å; F1407-P1409 HydrophobicContact CE2-CB 4.1Å; F1407-P1409 HydrophobicContact CZ-CB 4.47Å; F1407-P1409 WeakPolarHBondContact O-CD 3.37Å; P1409-F1543 HydrophobicContact CB-CB 4.2Å; P1409-F1543 HydrophobicContact CB-CD1 4.36Å; P1409-F1543 HydrophobicContact CG-CB 4.19Å; P1409-F1543 HydrophobicContact CG-CD1 4.36Å; P1409-F1543 WeakPolarHBondContact CG-O 3.32Å; P1409-F1543 PolarHBondContact O-N 3.1Å | ||
| 1410 | T | 94.5 | Very high | 90.8 | Very high | 49 Ų | 49 | 46.7 Ų | 46.7 | 30% | 0.301 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 142.7 | -177.8 | 55 | 0 | 0 | 0 | 0 | 111.8 | T1369 S1371 I1540 V1541 | T1369-T1410 CarbonylContact C-O 3.52Å; S1371-T1410 PolarHBondContact OG-N 2.82Å; S1371-T1410 PolarHBondContact OG-O 3.31Å; S1371-T1410 VanDerWaalsContact OG-O 3.12Å; S1371-T1410 PolarHBondContact OG-OG1 2.85Å; T1410-I1540 HydrophobicContact CG2-CG2 4.15Å; T1410-V1541 CarbonylContact C-O 3.57Å; T1410-V1541 WeakPolarHBondContact CA-O 3.46Å |
| 1411 | L | 95.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 121.3 | 167.6 | 167.9 | 64.7 | 0 | 0 | 0 | 107.8 | L1367 T1369 V1541 F1543 W1579 Y1583 | L1367-L1411 HydrophobicContact CB-CD1 4.39Å; T1369-L1411 HydrophobicContact CG2-CB 4.39Å; T1369-L1411 HydrophobicContact CG2-CD1 3.59Å; L1411-V1541 HydrophobicContact CB-CG2 4Å; L1411-V1541 HydrophobicContact CD2-CG2 4.22Å; L1411-V1541 HydrophobicContact CG-CG2 4.22Å; L1411-V1541 PolarHBondContact N-O 3.24Å; L1411-V1541 WeakPolarHBondContact O-CG2 3.47Å; L1411-V1541 PolarHBondContact O-N 3.14Å; L1411-F1543 HydrophobicContact CB-CB 3.93Å; L1411-F1543 HydrophobicContact CB-CD2 4.28Å; L1411-F1543 HydrophobicContact CB-CG 4.42Å; L1411-W1579 VanDerWaalsContact CD2-C 3.49Å; L1411-W1579 HydrophobicContact CD2-CB 3.9Å; L1411-W1579 WeakPolarHBondContact CD2-O 3.27Å; L1411-Y1583 HydrophobicContact CD1-CD2 4.16Å; L1411-Y1583 HydrophobicContact CD1-CG 4.41Å |
| 1412 | T | 95.1 | Very high | 88.6 | Confident | 12 Ų | 12 | 48.3 Ų | 48.3 | 7% | 0.074 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 130.2 | 175.7 | -57.9 | 0 | 0 | 0 | 0 | 110.4 | L1367 C1368 V1414 L1538 F1539 I1540 M1633 | L1367-T1412 WeakPolarHBondContact CA-O 3.46Å; C1368-T1412 PolarHBondContact N-O 3.19Å; C1368-T1412 PolarHBondContact O-N 2.85Å; T1412-V1414 HydrophobicContact CG2-CG2 4.31Å; T1412-L1538 HydrophobicContact CG2-CD1 3.36Å; T1412-L1538 HydrophobicContact CG2-CG 4.45Å; T1412-F1539 CarbonylContact C-O 3.56Å; T1412-F1539 VanDerWaalsContact CA-O 3.29Å; T1412-F1539 WeakPolarHBondContact CA-O 3.35Å; T1412-I1540 HydrophobicContact CG2-CG1 4.12Å; T1412-M1633 HydrophobicContact CG2-CE 3.37Å; T1412-M1633 HydrophobicContact CG2-SD 4.12Å |
| 1413 | A | 95.6 | Very high | 87.4 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.008 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 125.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | V1366 L1367 L1538 F1539 W1579 | V1366-A1413 WeakPolarHBondContact O-CA 3.25Å; L1367-A1413 HydrophobicContact CD2-CB 3.42Å; L1367-A1413 VanDerWaalsContact CD2-CB 3.42Å; A1413-L1538 CarbonylContact O-C 3.55Å; A1413-L1538 WeakPolarHBondContact O-CA 3.3Å; A1413-F1539 HydrophobicContact CB-CB 4.32Å; A1413-F1539 PolarHBondContact N-O 2.96Å; A1413-F1539 PolarHBondContact O-N 3Å; A1413-W1579 HydrophobicContact CB-CD2 3.56Å; A1413-W1579 HydrophobicContact CB-CE3 3.57Å; A1413-W1579 HydrophobicContact CB-CG 4.15Å; A1413-W1579 HydrophobicContact CB-CH2 4.14Å; A1413-W1579 HydrophobicContact CB-CZ2 4.12Å; A1413-W1579 HydrophobicContact CB-CZ3 3.87Å |
| 1414 | V | 93.9 | Very high | 86.5 | Confident | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.012 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 117.1 | 178.4 | -177.6 | 0 | 0 | 0 | 0 | 109 | V1365 V1366 T1412 R1536 L1538 M1633 | V1365-V1414 CarbonylContact C-O 3.59Å; V1365-V1414 VanDerWaalsContact CA-O 3.27Å; V1365-V1414 WeakPolarHBondContact CA-O 3.29Å; V1366-V1414 HydrophobicContact CB-CB 4.31Å; V1366-V1414 PolarHBondContact N-O 3.06Å; V1366-V1414 PolarHBondContact O-N 2.6Å; T1412-V1414 HydrophobicContact CG2-CG2 4.31Å; V1414-R1536 HydrophobicContact CG1-CG 3.88Å; V1414-L1538 HydrophobicContact CG2-CD1 3.59Å; V1414-M1633 HydrophobicContact CG2-SD 3.75Å |
| 1415 | L | 94.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 128.1 | 172 | -64.7 | 65.9 | 0 | 0 | 0 | 108.1 | E1364 V1365 R1536 H1537 F1539 W1579 I1598 F1601 Y1602 | E1364-L1415 WeakPolarHBondContact O-CA 3.47Å; V1365-L1415 HydrophobicContact CG2-CG 4.31Å; L1415-R1536 CarbonylContact O-C 3.6Å; L1415-R1536 VanDerWaalsContact O-CA 3.27Å; L1415-R1536 WeakPolarHBondContact O-CA 3.47Å; L1415-H1537 HydrophobicContact CB-CB 4.32Å; L1415-H1537 PolarHBondContact N-O 2.96Å; L1415-H1537 PolarHBondContact O-N 3.3Å; L1415-F1539 HydrophobicContact CD1-CD2 3.93Å; L1415-F1539 HydrophobicContact CD1-CE2 4.01Å; L1415-W1579 HydrophobicContact CD1-CH2 3.57Å; L1415-W1579 HydrophobicContact CD1-CZ2 3.72Å; L1415-W1579 HydrophobicContact CD2-CH2 4.45Å; L1415-W1579 HydrophobicContact CG-CH2 4.27Å; L1415-I1598 HydrophobicContact CD2-CG2 3.83Å; L1415-I1598 HydrophobicContact CG-CG2 4.27Å; L1415-F1601 HydrophobicContact CD2-CD1 3.86Å; L1415-F1601 HydrophobicContact CD2-CE1 4.12Å; L1415-Y1602 HydrophobicContact CB-CD2 4.09Å; L1415-Y1602 HydrophobicContact CB-CE2 4.38Å; L1415-Y1602 HydrophobicContact CD2-CD2 4.38Å |
| 1416 | Q | 92.4 | Very high | 85 | Confident | 53 Ų | 53 | 51.3 Ų | 51.3 | 25% | 0.248 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 162.5 | 179.2 | 64 | -172.2 | 20.7 | 0 | 0 | 111.9 | E1364 R1536 | E1364-Q1416 HydrophobicContact CG-CG 3.61Å; E1364-Q1416 PolarHBondContact N-O 3.25Å; E1364-Q1416 PolarHBondContact O-N 2.93Å; E1364-Q1416 PolarHBondContact OE1-NE2 3.02Å; Q1416-R1536 HydrophobicContact CB-CB 4.38Å; Q1416-R1536 HydrophobicContact CB-CG 4.27Å |
| 1417 | P | 89 | Confident | 84.4 | Confident | 42 Ų | 42 | 47.2 Ų | 47.2 | 27% | 0.273 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 137.1 | 173.8 | -18.1 | 28.7 | 0 | 0 | 0 | 111.8 | K1419 R1534 K1535 Y1602 | P1417-K1419 PolarHBondContact O-N 3.15Å; P1417-R1534 WeakPolarHBondContact CD-O 3.42Å; P1417-K1535 HydrophobicContact CG-CB 3.96Å; P1417-Y1602 VanDerWaalsContact CD-OH 3.31Å; P1417-Y1602 WeakPolarHBondContact CD-OH 3.41Å; P1417-Y1602 WeakPolarHBondContact CG-OH 3.19Å |
| 1418 | L | 84.9 | Confident | 83.4 | Confident | 31 Ų | 31 | 48 Ų | 48 | 16% | 0.162 | 23% | 0.234 | C | C | . | . | trans | -75.1 | 105.8 | 175.2 | -177.3 | 68.2 | 0 | 0 | 0 | 110.1 | P1361 E1362 E1364 Y1428 V1626 | P1361-L1418 HydrophobicContact CB-CD2 4.19Å; P1361-L1418 HydrophobicContact CG-CD2 3.74Å; P1361-L1418 WeakPolarHBondContact O-CD2 3.41Å; E1362-L1418 PolarHBondContact O-N 2.83Å; E1364-L1418 HydrophobicContact CB-CB 4.34Å; E1364-L1418 HydrophobicContact CB-CD1 3.93Å; E1364-L1418 HydrophobicContact CG-CD1 4.19Å; E1364-L1418 WeakPolarHBondContact OE2-CD1 3.22Å; L1418-Y1428 HydrophobicContact CD2-CE2 4.35Å; L1418-V1626 HydrophobicContact CD1-CG1 4.4Å; L1418-V1626 HydrophobicContact CD2-CG1 4.31Å | ||
| 1419 | K | 81.3 | Confident | 82.1 | Confident | 176 Ų | 176 | 47.7 Ų | 47.7 | 77% | 0.765 | 23% | 0.23 | S | C | * | . | trans | -79.4 | -39 | -178.5 | -68.1 | -176.8 | 179.5 | -179.9 | 0 | 114.1 | P1417 | P1417-K1419 PolarHBondContact O-N 3.15Š| ||
| 1420 | N | 72.8 | Confident | 80.4 | Confident | 126 Ų | 126 | 51.8 Ų | 51.8 | 67% | 0.674 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -147.6 | 138 | -179.4 | -75 | -58.7 | 0 | 0 | 0 | 109.6 | P1422 | N1420-P1422 WeakPolarHBondContact O-CD 3.43Š|
| 1421 | P | 68.5 | Low | 78.2 | Confident | 52 Ų | 52 | 54.4 Ų | 54.4 | 34% | 0.338 | 26% | 0.257 | S | S | . | . | trans | -64.1 | 121.8 | 175.2 | 24.1 | -31.4 | 0 | 0 | 0 | 110.3 | R1423 Y1428 | P1421-R1423 PolarHBondContact O-N 3.29Å; P1421-R1423 VanDerWaalsContact O-N 3.08Å; P1421-Y1428 HydrophobicContact CB-CD1 4.45Å; P1421-Y1428 HydrophobicContact CB-CE1 3.72Å; P1421-Y1428 HydrophobicContact CB-CE2 4.17Å | ||
| 1422 | P | 66.9 | Low | 75.6 | Confident | 21 Ų | 21 | 60 Ų | 60 | 14% | 0.136 | 29% | 0.286 | C | S | . | . | trans | -70.5 | 109.7 | -172 | 24.9 | -31.1 | 0 | 0 | 0 | 110.4 | N1420 Q1424 S1425 Y1428 | N1420-P1422 WeakPolarHBondContact O-CD 3.43Å; P1422-Q1424 PolarHBondContact O-N 3.38Å; P1422-S1425 PolarHBondContact O-N 3.14Å; P1422-Y1428 HydrophobicContact CG-CD2 4.45Å; P1422-Y1428 HydrophobicContact CG-CG 4.35Å | ||
| 1423 | R | 64.8 | Low | 73.1 | Confident | 206 Ų | 206 | 62.1 Ų | 62.1 | 78% | 0.777 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -22.6 | -166.5 | -74.6 | -173.5 | 176.3 | -179.7 | -0.8 | 115.1 | P1421 R1430 | P1421-R1423 PolarHBondContact O-N 3.29Å; P1421-R1423 VanDerWaalsContact O-N 3.08Å; R1423-R1430 PolarHBondContact O-NH2 3.09Å |
| 1424 | Q | 70.9 | Confident | 70.4 | Confident | 95 Ų | 95 | 65.8 Ų | 65.8 | 44% | 0.444 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | 4.8 | -176.7 | -64.8 | -176.1 | -6.1 | 0 | 0 | 113.3 | P1422 W1426 R1702 | P1422-Q1424 PolarHBondContact O-N 3.38Å; Q1424-W1426 PolarHBondContact O-N 3.04Å; Q1424-R1702 WeakPolarHBondContact O-CG 3.09Å; Q1424-R1702 PolarHBondContact O-NE 3Å |
| 1425 | S | 77.9 | Confident | 67.9 | Low | 4 Ų | 4 | 69.5 Ų | 69.5 | 3% | 0.028 | 35% | 0.347 | C | S | . | . | trans | -69.2 | 122.3 | -172.2 | 165.7 | 0 | 0 | 0 | 0 | 113.4 | P1422 Y1427 Y1428 R1628 R1702 D1750 | P1422-S1425 PolarHBondContact O-N 3.14Å; S1425-Y1427 PolarHBondContact O-N 3.16Å; S1425-Y1427 VanDerWaalsContact O-N 3.08Å; S1425-Y1427 PolarHBondContact OG-N 3.2Å; S1425-Y1428 PolarHBondContact O-N 3.3Å; S1425-Y1428 VanDerWaalsContact O-N 3.15Å; S1425-Y1428 PolarHBondContact OG-N 2.71Å; S1425-R1628 WeakPolarHBondContact OG-CD 3.48Å; S1425-R1702 VanDerWaalsContact C-NH2 3.3Å; S1425-R1702 VanDerWaalsContact O-CZ 3.23Å; S1425-R1702 PolarHBondContact O-NH2 3.37Å; S1425-D1750 VanDerWaalsContact CA-OD1 3.31Å; S1425-D1750 WeakPolarHBondContact CA-OD1 3.35Å; S1425-D1750 VanDerWaalsContact CA-OD2 3.25Å; S1425-D1750 WeakPolarHBondContact CA-OD2 3.35Å; S1425-D1750 WeakPolarHBondContact CB-OD2 3.26Å; S1425-D1750 PolarHBondContact OG-OD2 2.95Å | ||
| 1426 | W | 73.6 | Confident | 65.3 | Low | 38 Ų | 38 | 77.1 Ų | 77.1 | 14% | 0.144 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -35.7 | 175.2 | -72.4 | 101.3 | 0 | 0 | 0 | 112.8 | V1339 L1343 Q1424 R1702 P1748 D1750 | V1339-W1426 HydrophobicContact CB-CE3 4.37Å; V1339-W1426 HydrophobicContact CB-CZ3 4.3Å; V1339-W1426 HydrophobicContact CG1-CE3 3.72Å; V1339-W1426 HydrophobicContact CG1-CZ3 4.15Å; L1343-W1426 WeakPolarHBondContact CD1-O 3.32Å; Q1424-W1426 PolarHBondContact O-N 3.04Å; W1426-R1702 HydrophobicContact CD2-CG 4.06Å; W1426-R1702 HydrophobicContact CE3-CG 4.46Å; W1426-R1702 HydrophobicContact CH2-CB 3.9Å; W1426-R1702 HydrophobicContact CH2-CG 4.28Å; W1426-R1702 HydrophobicContact CZ2-CB 3.63Å; W1426-R1702 HydrophobicContact CZ2-CG 3.85Å; W1426-P1748 HydrophobicContact CZ2-CG 4.38Å; W1426-D1750 VanDerWaalsContact CD1-OD1 3.29Å; W1426-D1750 PolarHBondContact N-OD1 3.43Å |
| 1427 | Y | 79.7 | Confident | 62.7 | Low | 11 Ų | 11 | 83.6 Ų | 83.6 | 4% | 0.043 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -2.7 | -173.4 | -54.5 | -74.3 | 0 | 0 | 0 | 115.2 | L1343 S1425 Q1586 V1627 R1628 C1629 I1747 P1748 D1750 | L1343-Y1427 HydrophobicContact CD1-CD1 4.15Å; L1343-Y1427 HydrophobicContact CD2-CD1 3.8Å; L1343-Y1427 HydrophobicContact CD2-CE1 4.22Å; S1425-Y1427 PolarHBondContact O-N 3.16Å; S1425-Y1427 VanDerWaalsContact O-N 3.08Å; S1425-Y1427 PolarHBondContact OG-N 3.2Å; Y1427-Q1586 HydrophobicContact CD1-CG 3.8Å; Y1427-Q1586 HydrophobicContact CE1-CG 3.73Å; Y1427-V1627 WeakPolarHBondContact CB-O 3.17Å; Y1427-R1628 HydrophobicContact CD2-CB 4.4Å; Y1427-C1629 HydrophobicContact CE2-CB 3.94Å; Y1427-C1629 WeakPolarHBondContact CE2-O 3.46Å; Y1427-I1747 HydrophobicContact CE1-CG2 3.81Å; Y1427-P1748 PolarHBondContact OH-O 3.28Å; Y1427-D1750 WeakPolarHBondContact CD2-OD2 3.44Å |
| 1428 | Y | 73.1 | Confident | 60 | Low | 28 Ų | 28 | 88.6 Ų | 88.6 | 11% | 0.11 | 43% | 0.43 | C | S | . | . | trans | -109.9 | 126.5 | 177.7 | -165.9 | -89.6 | 0 | 0 | 0 | 112 | P1361 L1418 P1421 P1422 S1425 V1626 R1702 | P1361-Y1428 HydrophobicContact CG-CD2 4.44Å; P1361-Y1428 HydrophobicContact CG-CE2 3.62Å; L1418-Y1428 HydrophobicContact CD2-CE2 4.35Å; P1421-Y1428 HydrophobicContact CB-CD1 4.45Å; P1421-Y1428 HydrophobicContact CB-CE1 3.72Å; P1421-Y1428 HydrophobicContact CB-CE2 4.17Å; P1422-Y1428 HydrophobicContact CG-CD2 4.45Å; P1422-Y1428 HydrophobicContact CG-CG 4.35Å; S1425-Y1428 PolarHBondContact O-N 3.3Å; S1425-Y1428 VanDerWaalsContact O-N 3.15Å; S1425-Y1428 PolarHBondContact OG-N 2.71Å; Y1428-V1626 HydrophobicContact CD2-CG2 4.29Å; Y1428-R1702 PolarHBondContact O-NH2 3.21Å | ||
| 1429 | N | 64 | Low | 57.2 | Low | 54 Ų | 54 | 92 Ų | 92 | 29% | 0.289 | 46% | 0.456 | S | S | . | . | trans | -105.1 | 119.5 | -172.8 | -134.2 | -39.4 | 0 | 0 | 0 | 113.3 | R1340 N1344 | R1340-N1429 PolarHBondContact NE-OD1 3.06Å; N1344-N1429 PolarHBondContact OD1-ND2 3.21Å | ||
| 1430 | R | 58.9 | Low | 55.2 | Low | 87 Ų | 87 | 88.7 Ų | 88.7 | 33% | 0.328 | 45% | 0.452 | S | S | . | . | trans | -89 | 6.3 | -172.7 | -93.2 | -165.2 | -168.4 | 153.8 | 6.5 | 116.8 | R1423 L1432 D1433 | R1423-R1430 PolarHBondContact O-NH2 3.09Å; R1430-L1432 PolarHBondContact O-N 3.28Å; R1430-D1433 PolarHBondContact O-N 3.26Å | ||
| 1431 | L | 48.8 | Very low | 53.2 | Low | 103 Ų | 103 | 90.1 Ų | 90.1 | 54% | 0.539 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -53.7 | -19 | -167.5 | -78.8 | 168.1 | 0 | 0 | 0 | 115.1 | ||
| 1432 | L | 41.8 | Very low | 51.3 | Low | 117 Ų | 117 | 90.9 Ų | 90.9 | 61% | 0.613 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -78.7 | -36.3 | 174.3 | -78.1 | 141.4 | 0 | 0 | 0 | 114.8 | R1430 | R1430-L1432 PolarHBondContact O-N 3.28Å |
| 1433 | D | 42.4 | Very low | 49.5 | Very low | 57 Ų | 57 | 97.4 Ų | 97.4 | 31% | 0.305 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -80.5 | -36 | -174 | -77.8 | -15.4 | 0 | 0 | 0 | 112.6 | R1430 Q1436 R1437 | R1430-D1433 PolarHBondContact O-N 3.26Å; D1433-Q1436 PolarHBondContact O-N 3.44Å; D1433-R1437 PolarHBondContact O-N 2.74Å |
| 1434 | D | 38.9 | Very low | 47.7 | Very low | 78 Ų | 78 | 97.1 Ų | 97.1 | 42% | 0.417 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -73.5 | -31.3 | -177.3 | -65.9 | -26.7 | 0 | 0 | 0 | 110.9 | Q1436 R1437 | D1434-Q1436 VanDerWaalsContact C-N 3.26Å; D1434-Q1436 PolarHBondContact O-N 3.41Å; D1434-R1437 PolarHBondContact O-N 3.02Å |
| 1435 | A | 41.4 | Very low | 45.7 | Very low | 80 Ų | 80 | 101.9 Ų | 101.9 | 66% | 0.661 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.9 | -22.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1436 | Q | 39 | Very low | 43.2 | Very low | 160 Ų | 160 | 107.9 Ų | 107.9 | 75% | 0.748 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -90.3 | -17 | 178.3 | -80.2 | -173.7 | -29.7 | 0 | 0 | 114 | D1433 D1434 | D1433-Q1436 PolarHBondContact O-N 3.44Å; D1434-Q1436 VanDerWaalsContact C-N 3.26Å; D1434-Q1436 PolarHBondContact O-N 3.41Å |
| 1437 | R | 38.3 | Very low | 40.9 | Very low | 190 Ų | 190 | 111.7 Ų | 111.7 | 72% | 0.717 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -88.2 | -18.3 | -178.2 | -72.6 | -173.8 | -161.4 | -166.8 | 4.2 | 114.8 | D1433 D1434 S1439 | D1433-R1437 PolarHBondContact O-N 2.74Å; D1434-R1437 PolarHBondContact O-N 3.02Å; R1437-S1439 VanDerWaalsContact C-N 3.29Å; R1437-S1439 PolarHBondContact O-N 3.23Å |
| 1438 | D | 32.8 | Very low | 38.2 | Very low | 147 Ų | 147 | 117.3 Ų | 117.3 | 79% | 0.786 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -94 | 42.9 | 178.6 | -73.9 | -17.9 | 0 | 0 | 0 | 112.8 | ||
| 1439 | S | 25.8 | Very low | 36 | Very low | 102 Ų | 102 | 124.8 Ų | 124.8 | 71% | 0.713 | 68% | 0.679 | S | S | * | * | trans | -127.3 | 73 | 166.6 | -177.1 | 0 | 0 | 0 | 0 | 112.6 | R1437 | R1437-S1439 VanDerWaalsContact C-N 3.29Å; R1437-S1439 PolarHBondContact O-N 3.23Å | ||
| 1440 | P | 38.5 | Very low | 34.3 | Very low | 106 Ų | 106 | 127.5 Ų | 127.5 | 69% | 0.688 | 70% | 0.702 | S | S | * | * | trans | -86.1 | 128.5 | 149.4 | 32.5 | -23.5 | 0 | 0 | 0 | 109.7 | ||||
| 1441 | D | 31.9 | Very low | 32.8 | Very low | 157 Ų | 157 | 130.2 Ų | 130.2 | 84% | 0.84 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 57.2 | 112.6 | 161.1 | -67 | -31.5 | 0 | 0 | 0 | 120.4 | ||
| 1442 | G | 28.2 | Very low | 31.8 | Very low | 68 Ų | 68 | 132.3 Ų | 132.3 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | 63.2 | 102.9 | 124.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 1443 | N | 28.2 | Very low | 31.2 | Very low | 158 Ų | 158 | 131.6 Ų | 131.6 | 85% | 0.845 | 74% | 0.739 | S | S | * | * | trans | 60.2 | 97.6 | 154.5 | -65.7 | -20.3 | 0 | 0 | 0 | 116.8 | ||||
| 1444 | K | 27.3 | Very low | 30.5 | Very low | 199 Ų | 199 | 136.7 Ų | 136.7 | 87% | 0.865 | 77% | 0.766 | S | S | * | * | 177.8 | 130.6 | 114.5 | -94.6 | 160 | -175.1 | 178.4 | 0 | 111 | V1446 | K1444-V1446 PolarHBondContact O-N 3.04Š| |||
| 1445 | E | 29.1 | Very low | 30 | Very low | 195 Ų | 195 | 137.3 Ų | 137.3 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | trans | -46.3 | 112.8 | 170.5 | -64.6 | 170 | 124 | 0 | 0 | 112.4 | ||||
| 1446 | V | 25 | Very low | 29.2 | Very low | 130 Ų | 130 | 137 Ų | 137 | 79% | 0.788 | 79% | 0.786 | S | S | * | * | trans | -144.7 | 105.2 | 157.1 | -177.8 | 0 | 0 | 0 | 0 | 110.7 | K1444 | K1444-V1446 PolarHBondContact O-N 3.04Š| ||
| 1447 | C | 25.4 | Very low | 28.5 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 56.5 | 63.6 | 145.9 | -69.3 | 0 | 0 | 0 | 0 | 120.4 | K1449 | C1447-K1449 PolarHBondContact O-N 3.1Š| ||
| 1448 | S | 24 | Very low | 27.8 | Very low | 128 Ų | 128 | 127.8 Ų | 127.8 | 90% | 0.895 | 79% | 0.793 | S | S | * | * | trans | -82.9 | 60.3 | 145.5 | 47.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1449 | K | 26.5 | Very low | 27.4 | Very low | 185 Ų | 185 | 125.5 Ų | 125.5 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -143.5 | 65.9 | 171.5 | -70.7 | -169.2 | -179.6 | 178.7 | 0 | 110.8 | C1447 | C1447-K1449 PolarHBondContact O-N 3.1Š| ||
| 1450 | S | 28.7 | Very low | 27.8 | Very low | 111 Ų | 111 | 126.2 Ų | 126.2 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -159.1 | 60.7 | 165.3 | -155.5 | 0 | 0 | 0 | 0 | 111.8 | ||
| 1451 | L | 27.3 | Very low | 27.4 | Very low | 144 Ų | 144 | 128.7 Ų | 128.7 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -166.3 | -22.4 | 147.5 | -136.2 | 76.1 | 0 | 0 | 0 | 113.1 | S1453 | L1451-S1453 VanDerWaalsContact C-N 3.3Å; L1451-S1453 PolarHBondContact O-N 2.88Å |
| 1452 | D | 27.8 | Very low | 27.1 | Very low | 147 Ų | 147 | 125.2 Ų | 125.2 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | G | 310 helix | trans | -81.8 | -4.3 | -179.9 | -64.5 | -28.5 | 0 | 0 | 0 | 114.2 | L1454 A1455 | D1452-L1454 PolarHBondContact O-N 3.34Å; D1452-A1455 PolarHBondContact O-N 3.16Å |
| 1453 | S | 28.6 | Very low | 27.1 | Very low | 102 Ų | 102 | 129.9 Ų | 129.9 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | G | 310 helix | trans | -73.8 | -0.5 | 175.2 | -33.7 | 0 | 0 | 0 | 0 | 114.1 | L1451 | L1451-S1453 VanDerWaalsContact C-N 3.3Å; L1451-S1453 PolarHBondContact O-N 2.88Å |
| 1454 | L | 28.3 | Very low | 27 | Very low | 165 Ų | 165 | 130.7 Ų | 130.7 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | G | 310 helix | trans | -92.8 | -1.5 | 173.6 | -80.2 | 163.8 | 0 | 0 | 0 | 113.3 | D1452 | D1452-L1454 PolarHBondContact O-N 3.34Š|
| 1455 | A | 27.9 | Very low | 26.8 | Very low | 90 Ų | 90 | 132 Ų | 132 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -134.1 | 88 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | D1452 | D1452-A1455 PolarHBondContact O-N 3.16Š|
| 1456 | G | 24.2 | Very low | 26.6 | Very low | 75 Ų | 75 | 128.9 Ų | 128.9 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | 154.8 | 58.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1457 | G | 24.5 | Very low | 26.5 | Very low | 82 Ų | 82 | 127.2 Ų | 127.2 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | trans | -107.7 | 58.6 | 154.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | S1459 | G1457-S1459 PolarHBondContact O-N 3.46Š| ||
| 1458 | G | 24.1 | Very low | 26.4 | Very low | 74 Ų | 74 | 129 Ų | 129 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | trans | -65.2 | 101.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | P1460 | G1458-P1460 WeakPolarHBondContact O-CD 3.46Š| ||
| 1459 | S | 24.6 | Very low | 26.4 | Very low | 99 Ų | 99 | 127.9 Ų | 127.9 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | trans | -67 | 117.2 | 163.5 | -171.4 | 0 | 0 | 0 | 0 | 106.5 | G1457 D1461 | G1457-S1459 PolarHBondContact O-N 3.46Å; S1459-D1461 VanDerWaalsContact C-N 3.26Å; S1459-D1461 PolarHBondContact O-N 2.82Å | ||
| 1460 | P | 33.3 | Very low | 26.4 | Very low | 116 Ų | 116 | 124.9 Ų | 124.9 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -79.1 | 87.3 | 173.1 | 32 | -25.4 | 0 | 0 | 0 | 106.1 | G1458 | G1458-P1460 WeakPolarHBondContact O-CD 3.46Š|
| 1461 | D | 30.3 | Very low | 26.1 | Very low | 158 Ų | 158 | 129 Ų | 129 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | trans | 176.9 | 72.5 | 157.7 | -92.2 | -18.7 | 0 | 0 | 0 | 107.8 | S1459 | S1459-D1461 VanDerWaalsContact C-N 3.26Å; S1459-D1461 PolarHBondContact O-N 2.82Å | ||
| 1462 | A | 26.7 | Very low | 26 | Very low | 85 Ų | 85 | 129.7 Ų | 129.7 | 70% | 0.702 | 79% | 0.785 | S | S | * | * | trans | -158.2 | 49.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110 | Q1464 | A1462-Q1464 PolarHBondContact O-N 2.99Š| ||
| 1463 | D | 26.6 | Very low | 25.9 | Very low | 166 Ų | 166 | 125.5 Ų | 125.5 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | trans | -71 | 75.2 | 154.2 | -95.5 | -22.9 | 0 | 0 | 0 | 108 | ||||
| 1464 | Q | 26.2 | Very low | 25.8 | Very low | 174 Ų | 174 | 126.2 Ų | 126.2 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | -152.6 | 78.2 | 158.3 | -103.9 | 171.9 | 28.9 | 0 | 0 | 106 | A1462 V1466 | A1462-Q1464 PolarHBondContact O-N 2.99Å; Q1464-V1466 VanDerWaalsContact C-N 3.26Å; Q1464-V1466 PolarHBondContact O-N 2.92Å | ||
| 1465 | R | 24.5 | Very low | 25.7 | Very low | 228 Ų | 228 | 127 Ų | 127 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | -58.7 | 94.1 | 164.5 | -78.2 | 179 | 175.2 | 166.3 | -1.3 | 107.9 | S1467 | R1465-S1467 PolarHBondContact O-N 2.64Š| ||
| 1466 | V | 23.5 | Very low | 25.5 | Very low | 128 Ų | 128 | 130.2 Ų | 130.2 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | -70 | 83.4 | 153.5 | -179.1 | 0 | 0 | 0 | 0 | 105.4 | Q1464 L1468 | Q1464-V1466 VanDerWaalsContact C-N 3.26Å; Q1464-V1466 PolarHBondContact O-N 2.92Å; V1466-L1468 VanDerWaalsContact C-N 3.33Å; V1466-L1468 PolarHBondContact O-N 3.06Å | ||
| 1467 | S | 23.7 | Very low | 25.5 | Very low | 96 Ų | 96 | 129.8 Ų | 129.8 | 67% | 0.671 | 78% | 0.781 | S | S | * | * | trans | -62 | 101.2 | 165.5 | -73.3 | 0 | 0 | 0 | 0 | 107.1 | R1465 S1469 | R1465-S1467 PolarHBondContact O-N 2.64Å; S1467-S1469 VanDerWaalsContact C-N 3.28Å; S1467-S1469 PolarHBondContact O-N 2.95Å | ||
| 1468 | L | 23.4 | Very low | 25.6 | Very low | 157 Ų | 157 | 132 Ų | 132 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -55 | 98.4 | 159 | -81.4 | 153.4 | 0 | 0 | 0 | 106.8 | V1466 V1470 | V1466-L1468 VanDerWaalsContact C-N 3.33Å; V1466-L1468 PolarHBondContact O-N 3.06Å; L1468-V1470 PolarHBondContact O-N 2.8Å | ||
| 1469 | S | 23.6 | Very low | 25.6 | Very low | 103 Ų | 103 | 134.6 Ų | 134.6 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | trans | -65.1 | 87.4 | 173.7 | 43 | 0 | 0 | 0 | 0 | 108.9 | S1467 F1471 | S1467-S1469 VanDerWaalsContact C-N 3.28Å; S1467-S1469 PolarHBondContact O-N 2.95Å; S1469-F1471 PolarHBondContact O-N 3.34Å | ||
| 1470 | V | 26.2 | Very low | 25.5 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 74% | 0.739 | 79% | 0.792 | S | S | * | * | trans | -60.3 | 115.8 | 154.5 | 178.5 | 0 | 0 | 0 | 0 | 105.5 | L1468 D1472 | L1468-V1470 PolarHBondContact O-N 2.8Å; V1470-D1472 PolarHBondContact O-N 3.49Å | ||
| 1471 | F | 23.9 | Very low | 25.1 | Very low | 199 Ų | 199 | 146.1 Ų | 146.1 | 87% | 0.873 | 80% | 0.795 | S | S | * | * | trans | -60.6 | 95.1 | 178.5 | -102.9 | -99.4 | 0 | 0 | 0 | 109.9 | S1469 G1473 | S1469-F1471 PolarHBondContact O-N 3.34Å; F1471-G1473 PolarHBondContact O-N 3.4Å | ||
| 1472 | D | 24.8 | Very low | 24.8 | Very low | 157 Ų | 157 | 150.2 Ų | 150.2 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | trans | -76 | 80.9 | 161 | -80.7 | -31.6 | 0 | 0 | 0 | 108.6 | V1470 | V1470-D1472 PolarHBondContact O-N 3.49Š| ||
| 1473 | G | 25.6 | Very low | 24.7 | Very low | 59 Ų | 59 | 158 Ų | 158 | 61% | 0.608 | 81% | 0.81 | S | S | * | * | trans | -76 | 121.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | F1471 L1475 | F1471-G1473 PolarHBondContact O-N 3.4Å; G1473-L1475 PolarHBondContact O-N 3.3Å | ||
| 1474 | P | 26.3 | Very low | 24.5 | Very low | 117 Ų | 117 | 162 Ų | 162 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | trans | -70.6 | 133.4 | -168.8 | 28 | -34.2 | 0 | 0 | 0 | 111.8 | I1476 | P1474-I1476 PolarHBondContact O-N 2.91Š| ||
| 1475 | L | 25.2 | Very low | 24.5 | Very low | 183 Ų | 183 | 157.3 Ų | 157.3 | 96% | 0.958 | 81% | 0.81 | S | S | * | * | trans | -53.1 | 95.1 | 173.6 | -72.5 | 156.6 | 0 | 0 | 0 | 111.1 | G1473 G1477 | G1473-L1475 PolarHBondContact O-N 3.3Å; L1475-G1477 PolarHBondContact O-N 3.36Å | ||
| 1476 | I | 24.2 | Very low | 24.6 | Very low | 156 Ų | 156 | 152.3 Ų | 152.3 | 80% | 0.8 | 81% | 0.81 | S | S | * | * | trans | -69.3 | 114.8 | 168.2 | -66.9 | 174.5 | 0 | 0 | 0 | 107.9 | P1474 S1478 | P1474-I1476 PolarHBondContact O-N 2.91Å; I1476-S1478 PolarHBondContact O-N 2.93Å; I1476-S1478 VanDerWaalsContact O-N 3.15Å | ||
| 1477 | G | 24.7 | Very low | 24.7 | Very low | 66 Ų | 66 | 157.5 Ų | 157.5 | 68% | 0.68 | 82% | 0.816 | S | S | * | * | trans | -50.5 | 113 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1475 N1479 | L1475-G1477 PolarHBondContact O-N 3.36Å; G1477-N1479 PolarHBondContact O-N 3.14Å | ||
| 1478 | S | 26 | Very low | 24.7 | Very low | 128 Ų | 128 | 162.3 Ų | 162.3 | 90% | 0.895 | 83% | 0.825 | S | S | * | * | trans | -79.8 | 104.7 | 170.4 | -80.3 | 0 | 0 | 0 | 0 | 110.6 | I1476 | I1476-S1478 PolarHBondContact O-N 2.93Å; I1476-S1478 VanDerWaalsContact O-N 3.15Å | ||
| 1479 | N | 25 | Very low | 24.9 | Very low | 129 Ų | 129 | 160.7 Ų | 160.7 | 69% | 0.69 | 82% | 0.824 | S | S | * | * | trans | -16.5 | 123.5 | 166 | -77.1 | -41.4 | 0 | 0 | 0 | 117.7 | G1477 Y1481 | G1477-N1479 PolarHBondContact O-N 3.14Å; N1479-Y1481 HydrophobicContact CB-CD2 3.84Å; N1479-Y1481 HydrophobicContact CB-CE2 3.83Å; N1479-Y1481 PolarHBondContact O-N 2.99Å | ||
| 1480 | R | 22.4 | Very low | 25 | Very low | 250 Ų | 250 | 163.3 Ų | 163.3 | 94% | 0.943 | 83% | 0.83 | S | S | * | * | trans | -57.8 | 94.3 | 158.7 | -66.9 | 176.1 | -179.5 | 174.5 | -0.2 | 110.5 | ||||
| 1481 | Y | 24.7 | Very low | 25.3 | Very low | 208 Ų | 208 | 162.6 Ų | 162.6 | 82% | 0.816 | 84% | 0.836 | S | S | * | * | trans | -95.7 | 112.1 | 164.8 | -89.3 | -84.3 | 0 | 0 | 0 | 111.3 | N1479 | N1479-Y1481 HydrophobicContact CB-CD2 3.84Å; N1479-Y1481 HydrophobicContact CB-CE2 3.83Å; N1479-Y1481 PolarHBondContact O-N 2.99Å | ||
| 1482 | R | 23.9 | Very low | 25.4 | Very low | 244 Ų | 244 | 157.2 Ų | 157.2 | 92% | 0.921 | 83% | 0.829 | S | S | * | * | trans | -56.2 | 136.4 | 178.7 | -93.4 | 174.7 | 166.2 | 165 | -4.8 | 112.3 | R1484 | R1482-R1484 PolarHBondContact O-N 3.29Š| ||
| 1483 | R | 23.6 | Very low | 25.4 | Very low | 249 Ų | 249 | 157.4 Ų | 157.4 | 94% | 0.94 | 83% | 0.83 | S | S | * | * | trans | -42.1 | 126.2 | 165.3 | -66.9 | 175.1 | 176.5 | 176.6 | -1.9 | 112.1 | ||||
| 1484 | R | 23.8 | Very low | 25.3 | Very low | 250 Ų | 250 | 166 Ų | 166 | 94% | 0.943 | 84% | 0.844 | S | S | * | * | trans | -143.4 | 116.3 | 158 | -128.7 | -178.2 | -171.4 | -159.5 | 2.2 | 111.5 | R1482 | R1482-R1484 PolarHBondContact O-N 3.29Š| ||
| 1485 | G | 26.3 | Very low | 25.2 | Very low | 74 Ų | 74 | 168.4 Ų | 168.4 | 76% | 0.763 | 85% | 0.85 | S | S | * | * | trans | 55.2 | 94.4 | 144 | 0 | 0 | 0 | 0 | 0 | 118.9 | R1487 | G1485-R1487 PolarHBondContact O-N 2.95Š| ||
| 1486 | S | 25.4 | Very low | 25.1 | Very low | 123 Ų | 123 | 164.1 Ų | 164.1 | 86% | 0.86 | 84% | 0.835 | S | S | * | * | trans | -59.8 | 112.6 | 160.8 | 180 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1487 | R | 25.5 | Very low | 25.2 | Very low | 238 Ų | 238 | 163.9 Ų | 163.9 | 90% | 0.898 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 127.6 | 158.3 | -90.1 | -176.6 | 171.8 | -179.9 | -2.9 | 108 | G1485 | G1485-R1487 PolarHBondContact O-N 2.95Š|
| 1488 | K | 24.9 | Very low | 25.5 | Very low | 197 Ų | 197 | 166.2 Ų | 166.2 | 86% | 0.857 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 125.5 | 180 | -65.5 | 173.7 | 175.8 | 178.1 | 0 | 110.8 | ||
| 1489 | P | 27.1 | Very low | 25.5 | Very low | 123 Ų | 123 | 168.5 Ų | 168.5 | 80% | 0.799 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 144.2 | 168.1 | 23.6 | -12.4 | 0 | 0 | 0 | 111.2 | ||
| 1490 | N | 26.6 | Very low | 25.5 | Very low | 158 Ų | 158 | 171.1 Ų | 171.1 | 85% | 0.845 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 153.5 | -175.1 | -76.4 | -22.7 | 0 | 0 | 0 | 113.5 | A1492 | N1490-A1492 VanDerWaalsContact C-N 3.33Å; N1490-A1492 PolarHBondContact O-N 3.14Å; N1490-A1492 VanDerWaalsContact O-N 3.07Å |
| 1491 | A | 30.6 | Very low | 25.5 | Very low | 106 Ų | 106 | 168.3 Ų | 168.3 | 88% | 0.876 | 83% | 0.834 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | 30.8 | -160.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 1492 | A | 27.1 | Very low | 25.6 | Very low | 87 Ų | 87 | 169 Ų | 169 | 72% | 0.719 | 84% | 0.835 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | -19.5 | -176 | 0 | 0 | 0 | 0 | 0 | 116.1 | N1490 R1494 | N1490-A1492 VanDerWaalsContact C-N 3.33Å; N1490-A1492 PolarHBondContact O-N 3.14Å; N1490-A1492 VanDerWaalsContact O-N 3.07Å; A1492-R1494 PolarHBondContact O-N 2.98Å |
| 1493 | D | 24.4 | Very low | 25.6 | Very low | 161 Ų | 161 | 162 Ų | 162 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | trans | -102.2 | 53.9 | -172.1 | -68.4 | -28.8 | 0 | 0 | 0 | 114.7 | L1495 | D1493-L1495 PolarHBondContact O-N 2.98Š| ||
| 1494 | R | 24 | Very low | 25.7 | Very low | 239 Ų | 239 | 158.4 Ų | 158.4 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | trans | -94 | 63.4 | 169.9 | -77.4 | -169.2 | 175.1 | -176.9 | 2 | 111.9 | A1492 | A1492-R1494 PolarHBondContact O-N 2.98Š| ||
| 1495 | L | 23 | Very low | 25.7 | Very low | 168 Ų | 168 | 155.6 Ų | 155.6 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | trans | -139.2 | 84.8 | 171.1 | -73.2 | 171.8 | 0 | 0 | 0 | 111.6 | D1493 | D1493-L1495 PolarHBondContact O-N 2.98Š| ||
| 1496 | S | 24.3 | Very low | 25.5 | Very low | 92 Ų | 92 | 157.5 Ų | 157.5 | 64% | 0.643 | 81% | 0.805 | S | S | * | * | trans | 160 | 108.1 | 139.2 | 51.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1497 | L | 24.9 | Very low | 25.6 | Very low | 151 Ų | 151 | 156 Ų | 156 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | -151.1 | 101.2 | 155.7 | -102.4 | 169.5 | 0 | 0 | 0 | 106.9 | W6 L1499 | W6-L1497 HydrophobicContact CH2-CD2 3.85Å; W6-L1497 HydrophobicContact CH2-CG 4.17Å; L1497-L1499 PolarHBondContact O-N 2.81Å | ||
| 1498 | P | 30.9 | Very low | 25.6 | Very low | 115 Ų | 115 | 152 Ų | 152 | 75% | 0.747 | 80% | 0.796 | S | S | * | * | trans | -89 | 102.5 | 179.6 | 32.6 | -26.9 | 0 | 0 | 0 | 109.5 | ||||
| 1499 | L | 27.8 | Very low | 25.6 | Very low | 176 Ų | 176 | 148.6 Ų | 148.6 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | trans | -165.4 | 28.4 | 151.3 | -107.9 | 162 | 0 | 0 | 0 | 111.6 | L1497 | L1497-L1499 PolarHBondContact O-N 2.81Š| ||
| 1500 | K | 23.6 | Very low | 25.6 | Very low | 185 Ų | 185 | 147.9 Ų | 147.9 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -114.2 | 111 | 166.7 | -83.4 | -173.4 | 177.4 | 178.6 | 0 | 109.9 | ||
| 1501 | R | 24 | Very low | 25.6 | Very low | 191 Ų | 191 | 152 Ų | 152 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | trans | 55.8 | 97.2 | 142.6 | -66.5 | 176.5 | 177.1 | 167 | -4.5 | 114.6 | ||||
| 1502 | R | 24.7 | Very low | 25.4 | Very low | 223 Ų | 223 | 154.7 Ų | 154.7 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | -47.8 | 155.2 | 127.4 | -83.6 | -173.6 | 179.3 | -169.7 | -2 | 107.4 | |||||
| 1503 | L | 25.9 | Very low | 25.4 | Very low | 95 Ų | 95 | 159.3 Ų | 159.3 | 50% | 0.497 | 81% | 0.806 | S | S | . | * | trans | 97.8 | 114.8 | 174.7 | -54.8 | -174.8 | 0 | 0 | 0 | 111.2 | P1521 | L1503-P1521 HydrophobicContact CD1-CB 4.13Å; L1503-P1521 HydrophobicContact CD1-CG 3.83Å | ||
| 1504 | F | 25.5 | Very low | 25.6 | Very low | 175 Ų | 175 | 159.1 Ų | 159.1 | 77% | 0.768 | 81% | 0.805 | S | S | * | * | cis | -166.6 | 154.4 | 8.8 | -85.6 | -71.7 | 0 | 0 | 0 | 107.7 | S1506 | F1504-S1506 PolarHBondContact O-N 2.84Š| ||
| 1505 | H | 22.7 | Very low | 25.6 | Very low | 190 Ų | 190 | 158.6 Ų | 158.6 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | trans | -54.8 | 122.9 | 157.1 | -82.5 | -79.3 | 0 | 0 | 0 | 109 | A1507 | H1505-A1507 PolarHBondContact O-N 2.77Š| ||
| 1506 | S | 23.1 | Very low | 26.1 | Very low | 115 Ų | 115 | 157.3 Ų | 157.3 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -65 | 98.7 | 166.3 | -171.8 | 0 | 0 | 0 | 0 | 107.5 | F1504 | F1504-S1506 PolarHBondContact O-N 2.84Š| ||
| 1507 | A | 26.7 | Very low | 26.2 | Very low | 90 Ų | 90 | 157.6 Ų | 157.6 | 74% | 0.744 | 81% | 0.807 | S | S | * | * | trans | -94 | 118.8 | 159.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | H1505 S1509 | H1505-A1507 PolarHBondContact O-N 2.77Å; A1507-S1509 PolarHBondContact O-N 2.97Å | ||
| 1508 | D | 25.9 | Very low | 26.4 | Very low | 154 Ų | 154 | 156.1 Ų | 156.1 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | trans | -43.9 | 111.9 | -173.7 | -70.5 | -45 | 0 | 0 | 0 | 113.5 | S1510 | D1508-S1510 PolarHBondContact O-N 2.88Š| ||
| 1509 | S | 25.6 | Very low | 26.2 | Very low | 126 Ų | 126 | 157.6 Ų | 157.6 | 88% | 0.881 | 81% | 0.81 | S | S | * | * | trans | -86.1 | 92.4 | 171.3 | 66.3 | 0 | 0 | 0 | 0 | 109.9 | A1507 | A1507-S1509 PolarHBondContact O-N 2.97Š| ||
| 1510 | S | 26.7 | Very low | 26.3 | Very low | 109 Ų | 109 | 156 Ų | 156 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | -103.4 | 122 | 156 | 68.4 | 0 | 0 | 0 | 0 | 109.4 | D1508 | D1508-S1510 PolarHBondContact O-N 2.88Š| ||
| 1511 | R | 25.8 | Very low | 26.5 | Very low | 243 Ų | 243 | 150.2 Ų | 150.2 | 92% | 0.917 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 47.7 | 97.8 | 158.5 | -96.5 | 175.5 | 165.6 | 177 | -3.5 | 118.6 | ||
| 1512 | N | 27.2 | Very low | 26.8 | Very low | 164 Ų | 164 | 144.2 Ų | 144.2 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | -174.1 | 103.6 | 118 | -123.4 | -9.6 | 0 | 0 | 0 | 110.1 | N1514 | N1512-N1514 PolarHBondContact O-N 3.02Š| |||
| 1513 | E | 27.2 | Very low | 27.3 | Very low | 183 Ų | 183 | 139.4 Ų | 139.4 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | trans | -73 | 113.2 | 166.5 | -69.1 | -176 | 155.1 | 0 | 0 | 108.3 | ||||
| 1514 | N | 28.5 | Very low | 28.6 | Very low | 157 Ų | 157 | 143.4 Ų | 143.4 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | trans | 161.5 | 75.5 | 146.9 | -82 | -27.8 | 0 | 0 | 0 | 110.6 | N1512 | N1512-N1514 PolarHBondContact O-N 3.02Š| ||
| 1515 | R | 24 | Very low | 30.2 | Very low | 228 Ų | 228 | 143.6 Ų | 143.6 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | -160.3 | 125.3 | 152.6 | -111.8 | 176 | -174.9 | -172.7 | 1.5 | 108.8 | S1517 | R1515-S1517 PolarHBondContact O-N 3.05Å; R1515-S1517 VanDerWaalsContact O-N 3.11Å | ||
| 1516 | P | 32.4 | Very low | 32.3 | Very low | 142 Ų | 142 | 137.1 Ų | 137.1 | 92% | 0.922 | 76% | 0.757 | S | S | * | * | trans | -80.6 | 99.1 | -177.3 | 31.8 | -29.8 | 0 | 0 | 0 | 108.7 | ||||
| 1517 | S | 26.6 | Very low | 34.8 | Very low | 98 Ų | 98 | 134.7 Ų | 134.7 | 69% | 0.685 | 74% | 0.739 | S | S | * | * | trans | -136 | 131.8 | 173 | 52.5 | 0 | 0 | 0 | 0 | 111.9 | R1515 | R1515-S1517 PolarHBondContact O-N 3.05Å; R1515-S1517 VanDerWaalsContact O-N 3.11Å | ||
| 1518 | S | 28.5 | Very low | 37.6 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 83% | 0.832 | 73% | 0.727 | S | S | * | * | trans | 85.5 | 103.6 | 164.7 | 78.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1519 | L | 28.4 | Very low | 40.4 | Very low | 146 Ų | 146 | 129.3 Ų | 129.3 | 76% | 0.764 | 71% | 0.708 | S | S | * | * | trans | -60.9 | 139.3 | 167.7 | -75.2 | 151 | 0 | 0 | 0 | 111.3 | ||||
| 1520 | N | 28.7 | Very low | 43.2 | Very low | 144 Ų | 144 | 127.5 Ų | 127.5 | 77% | 0.77 | 69% | 0.688 | S | S | * | * | trans | -62.7 | 136.3 | -169.3 | -130.3 | -29.9 | 0 | 0 | 0 | 114.6 | A1522 | N1520-A1522 PolarHBondContact O-N 3.32Š| ||
| 1521 | P | 28.6 | Very low | 46 | Very low | 62 Ų | 62 | 124.9 Ų | 124.9 | 40% | 0.403 | 67% | 0.665 | S | S | . | * | S | Bend | trans | -74.5 | 19.6 | -177.1 | -12.3 | 27.6 | 0 | 0 | 0 | 116.5 | L1503 W1524 | L1503-P1521 HydrophobicContact CD1-CB 4.13Å; L1503-P1521 HydrophobicContact CD1-CG 3.83Å; P1521-W1524 VanDerWaalsContact O-CD1 3.28Å |
| 1522 | A | 29.9 | Very low | 48.6 | Very low | 66 Ų | 66 | 116.5 Ų | 116.5 | 55% | 0.545 | 65% | 0.649 | S | S | . | * | trans | -92.3 | 2.7 | -165.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | N1520 | N1520-A1522 PolarHBondContact O-N 3.32Š| ||
| 1523 | C | 36 | Very low | 51 | Low | 121 Ų | 121 | 116.4 Ų | 116.4 | 82% | 0.818 | 65% | 0.648 | S | S | * | * | trans | -102.5 | 15.5 | -166.5 | -143.4 | 0 | 0 | 0 | 0 | 117.4 | K1525 | C1523-K1525 VanDerWaalsContact C-N 3.26Å; C1523-K1525 PolarHBondContact O-N 3.36Å; C1523-K1525 VanDerWaalsContact O-N 3.1Å | ||
| 1524 | W | 52.5 | Low | 53.6 | Low | 180 Ų | 180 | 115.6 Ų | 115.6 | 68% | 0.682 | 64% | 0.637 | S | S | * | * | trans | -82.2 | 27.9 | -175 | -56.7 | 84.7 | 0 | 0 | 0 | 115.8 | L1396 P1521 | L1396-W1524 HydrophobicContact CD1-CE3 4.47Å; L1396-W1524 HydrophobicContact CD1-CH2 3.51Å; L1396-W1524 HydrophobicContact CD1-CZ3 3.26Å; P1521-W1524 VanDerWaalsContact O-CD1 3.28Å | ||
| 1525 | K | 59.3 | Low | 56.4 | Low | 178 Ų | 178 | 112.7 Ų | 112.7 | 77% | 0.774 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 126.7 | -174.6 | -72.8 | -176.6 | -179.9 | 177.6 | 0 | 111 | C1523 S1527 | C1523-K1525 VanDerWaalsContact C-N 3.26Å; C1523-K1525 PolarHBondContact O-N 3.36Å; C1523-K1525 VanDerWaalsContact O-N 3.1Å; K1525-S1527 PolarHBondContact O-N 3.33Å; K1525-S1527 VanDerWaalsContact O-N 3.15Å |
| 1526 | V | 67.4 | Low | 59.5 | Low | 55 Ų | 55 | 103.8 Ų | 103.8 | 33% | 0.333 | 58% | 0.583 | S | S | . | * | P | Polyproline II helix | trans | -56.8 | 116.8 | 157.3 | 177.8 | 0 | 0 | 0 | 0 | 106.5 | V1541 P1575 I1576 | V1526-V1541 HydrophobicContact CG1-CG1 4.18Å; V1526-V1541 HydrophobicContact CG2-CG1 4.34Å; V1526-P1575 HydrophobicContact CG1-CB 4.42Å; V1526-P1575 HydrophobicContact CG1-CG 4.07Å; V1526-P1575 HydrophobicContact CG2-CG 3.85Å; V1526-I1576 HydrophobicContact CG2-CD1 4.1Å; V1526-I1576 HydrophobicContact CG2-CG1 3.79Å |
| 1527 | S | 75.9 | Confident | 62.4 | Low | 63 Ų | 63 | 97.2 Ų | 97.2 | 44% | 0.441 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 126.5 | 172.1 | -174.3 | 0 | 0 | 0 | 0 | 107.9 | K1525 F1539 I1540 | K1525-S1527 PolarHBondContact O-N 3.33Å; K1525-S1527 VanDerWaalsContact O-N 3.15Å; S1527-F1539 CarbonylContact O-C 3.12Å; S1527-F1539 WeakPolarHBondContact O-CA 3.49Å; S1527-I1540 PolarHBondContact N-O 2.62Å; S1527-I1540 PolarHBondContact O-N 3.23Å |
| 1528 | S | 83.5 | Confident | 65.5 | Low | 70 Ų | 70 | 94.2 Ų | 94.2 | 49% | 0.49 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 132.3 | 175.8 | 64.8 | 0 | 0 | 0 | 0 | 109.8 | L1538 | S1528-L1538 VanDerWaalsContact CA-O 3.23Å; S1528-L1538 WeakPolarHBondContact CA-O 3.3Å |
| 1529 | S | 84.7 | Confident | 68.6 | Low | 61 Ų | 61 | 89.2 Ų | 89.2 | 43% | 0.427 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 141 | 175.2 | 67.3 | 0 | 0 | 0 | 0 | 111 | L1538 | S1529-L1538 PolarHBondContact N-O 2.8Å; S1529-L1538 VanDerWaalsContact N-O 3.08Å; S1529-L1538 PolarHBondContact O-N 2.76Å; S1529-L1538 WeakPolarHBondContact OG-CB 3.13Å; S1529-L1538 WeakPolarHBondContact OG-CD2 3.48Å |
| 1530 | I | 85.2 | Confident | 71.6 | Confident | 89 Ų | 89 | 84.8 Ų | 84.8 | 46% | 0.456 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 125.3 | -179.5 | -54 | -176.2 | 0 | 0 | 0 | 108.2 | H1537 K1605 F1606 | I1530-H1537 VanDerWaalsContact CG1-CD2 3.46Å; I1530-H1537 WeakPolarHBondContact CG1-CD2 3.37Å; I1530-K1605 HydrophobicContact CD1-CD 4.39Å; I1530-F1606 HydrophobicContact CG2-CE1 3.9Å; I1530-F1606 HydrophobicContact CG2-CZ 3.86Å |
| 1531 | D | 85.6 | Confident | 74.8 | Confident | 53 Ų | 53 | 78 Ų | 78 | 28% | 0.283 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 93.3 | 170 | 176.1 | -12.4 | 0 | 0 | 0 | 106.7 | D1533 R1534 K1535 R1536 | D1531-D1533 VanDerWaalsContact C-N 3.32Å; D1531-D1533 PolarHBondContact O-N 3.42Å; D1531-D1533 PolarHBondContact OD1-N 3.07Å; D1531-R1534 PolarHBondContact O-N 3.13Å; D1531-R1534 PolarHBondContact OD1-N 3.05Å; D1531-R1534 VanDerWaalsContact OD1-N 3.12Å; D1531-R1534 WeakPolarHBondContact OD2-CD 3.43Å; D1531-R1534 WeakPolarHBondContact OD2-CG 3.5Å; D1531-R1534 IonicContact OD2-NE 3.02Å; D1531-K1535 PolarHBondContact O-N 3.01Å; D1531-K1535 VanDerWaalsContact O-N 3.09Å; D1531-R1536 HydrophobicContact CB-CB 4.2Å; D1531-R1536 PolarHBondContact N-O 2.88Å; D1531-R1536 PolarHBondContact O-N 2.93Å |
| 1532 | A | 79.9 | Confident | 77.9 | Confident | 68 Ų | 68 | 76.1 Ų | 76.1 | 56% | 0.562 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -37.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R1534 K1535 | A1532-R1534 VanDerWaalsContact C-N 3.32Å; A1532-R1534 PolarHBondContact O-N 3.4Å; A1532-K1535 PolarHBondContact O-N 3.29Å |
| 1533 | D | 78.8 | Confident | 81 | Confident | 161 Ų | 161 | 73 Ų | 73 | 86% | 0.861 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -39.9 | -179.2 | -63.2 | -18.8 | 0 | 0 | 0 | 111.5 | D1531 K1535 | D1531-D1533 VanDerWaalsContact C-N 3.32Å; D1531-D1533 PolarHBondContact O-N 3.42Å; D1531-D1533 PolarHBondContact OD1-N 3.07Å; D1533-K1535 VanDerWaalsContact C-N 3.31Å |
| 1534 | R | 82 | Confident | 83.7 | Confident | 167 Ų | 167 | 67.9 Ų | 67.9 | 63% | 0.63 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | 1.3 | 175.8 | -60.1 | -170.8 | -175.4 | -179.8 | -0 | 113.5 | P1417 D1531 A1532 R1536 | P1417-R1534 WeakPolarHBondContact CD-O 3.42Å; D1531-R1534 PolarHBondContact O-N 3.13Å; D1531-R1534 PolarHBondContact OD1-N 3.05Å; D1531-R1534 VanDerWaalsContact OD1-N 3.12Å; D1531-R1534 WeakPolarHBondContact OD2-CD 3.43Å; D1531-R1534 WeakPolarHBondContact OD2-CG 3.5Å; D1531-R1534 IonicContact OD2-NE 3.02Å; A1532-R1534 VanDerWaalsContact C-N 3.32Å; A1532-R1534 PolarHBondContact O-N 3.4Å; R1534-R1536 HydrophobicContact CB-CB 3.99Å; R1534-R1536 PolarHBondContact O-N 3.2Å |
| 1535 | K | 86.1 | Confident | 85.6 | Confident | 95 Ų | 95 | 59.3 Ų | 59.3 | 41% | 0.413 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.6 | 41.2 | -168.6 | -58.8 | -175.1 | 178.7 | -173.9 | 0 | 111.7 | P1417 D1531 A1532 D1533 Y1602 F1606 | P1417-K1535 HydrophobicContact CG-CB 3.96Å; D1531-K1535 PolarHBondContact O-N 3.01Å; D1531-K1535 VanDerWaalsContact O-N 3.09Å; A1532-K1535 PolarHBondContact O-N 3.29Å; D1533-K1535 VanDerWaalsContact C-N 3.31Å; K1535-Y1602 WeakPolarHBondContact CB-OH 3.45Å; K1535-Y1602 WeakPolarHBondContact O-CE2 3.48Å; K1535-Y1602 PolarHBondContact O-OH 2.67Å; K1535-F1606 VanDerWaalsContact C-CZ 3.45Å; K1535-F1606 HydrophobicContact CB-CD1 4.05Å; K1535-F1606 HydrophobicContact CB-CD2 4.49Å; K1535-F1606 HydrophobicContact CB-CE1 4.32Å; K1535-F1606 HydrophobicContact CB-CG 4.14Å; K1535-F1606 HydrophobicContact CG-CD1 4.25Å; K1535-F1606 WeakPolarHBondContact O-CE2 2.93Å |
| 1536 | R | 90.1 | Very high | 87.3 | Confident | 41 Ų | 41 | 51.1 Ų | 51.1 | 16% | 0.155 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 132 | -172.3 | -179.8 | -177.7 | -174.2 | -152.3 | 0.6 | 110.2 | V1414 L1415 Q1416 D1531 R1534 D1635 | V1414-R1536 HydrophobicContact CG1-CG 3.88Å; L1415-R1536 CarbonylContact O-C 3.6Å; L1415-R1536 VanDerWaalsContact O-CA 3.27Å; L1415-R1536 WeakPolarHBondContact O-CA 3.47Å; Q1416-R1536 HydrophobicContact CB-CB 4.38Å; Q1416-R1536 HydrophobicContact CB-CG 4.27Å; D1531-R1536 HydrophobicContact CB-CB 4.2Å; D1531-R1536 PolarHBondContact N-O 2.88Å; D1531-R1536 PolarHBondContact O-N 2.93Å; R1534-R1536 HydrophobicContact CB-CB 3.99Å; R1534-R1536 PolarHBondContact O-N 3.2Å; R1536-D1635 IonicContact CZ-OD2 2.88Å; R1536-D1635 IonicContact NH1-OD2 2.65Å; R1536-D1635 PolarHBondContact NH1-OD2 3.23Å; R1536-D1635 VanDerWaalsContact NH1-OD2 3.16Å; R1536-D1635 IonicContact NH2-OD2 3.26Å; R1536-D1635 PolarHBondContact NH2-OD2 3.01Å |
| 1537 | H | 92.1 | Very high | 88.4 | Confident | 5 Ų | 5 | 48.5 Ų | 48.5 | 2% | 0.023 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 124.9 | 175.4 | -162.7 | -51.8 | 0 | 0 | 0 | 110.1 | L1415 I1530 F1539 F1601 F1606 | L1415-H1537 HydrophobicContact CB-CB 4.32Å; L1415-H1537 PolarHBondContact N-O 2.96Å; L1415-H1537 PolarHBondContact O-N 3.3Å; I1530-H1537 VanDerWaalsContact CG1-CD2 3.46Å; I1530-H1537 WeakPolarHBondContact CG1-CD2 3.37Å; H1537-F1539 AromaticContact CE1-CE1 3.66Å; H1537-F1539 AromaticContact CE1-CE2 3.47Å; H1537-F1539 VanDerWaalsContact CE1-CE2 3.47Å; H1537-F1539 WeakPolarHBondContact CE1-CE2 3.4Å; H1537-F1539 AromaticContact CE1-CZ 3.22Å; H1537-F1539 WeakPolarHBondContact CE1-CZ 3.5Å; H1537-F1539 AromaticContact ND1-CD2 3.72Å; H1537-F1539 AromaticContact ND1-CE2 3.28Å; H1537-F1539 VanDerWaalsContact ND1-CE2 3.28Å; H1537-F1539 WeakPolarHBondContact ND1-CE2 3.17Å; H1537-F1539 AromaticContact ND1-CZ 3.58Å; H1537-F1539 AromaticContact NE2-CZ 3.91Å; H1537-F1601 AromaticContact CD2-CE1 3.87Å; H1537-F1601 AromaticContact CD2-CZ 3.93Å; H1537-F1601 AromaticContact NE2-CZ 3.67Å; H1537-F1606 HydrophobicContact CB-CE2 4.15Å; H1537-F1606 HydrophobicContact CB-CZ 4.28Å |
| 1538 | L | 91.8 | Very high | 89.2 | Confident | 34 Ų | 34 | 45.9 Ų | 45.9 | 18% | 0.178 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 137.7 | -179.5 | -179 | 71.4 | 0 | 0 | 0 | 109.9 | T1412 A1413 V1414 S1528 S1529 I1540 | T1412-L1538 HydrophobicContact CG2-CD1 3.36Å; T1412-L1538 HydrophobicContact CG2-CG 4.45Å; A1413-L1538 CarbonylContact O-C 3.55Å; A1413-L1538 WeakPolarHBondContact O-CA 3.3Å; V1414-L1538 HydrophobicContact CG2-CD1 3.59Å; S1528-L1538 VanDerWaalsContact CA-O 3.23Å; S1528-L1538 WeakPolarHBondContact CA-O 3.3Å; S1529-L1538 PolarHBondContact N-O 2.8Å; S1529-L1538 VanDerWaalsContact N-O 3.08Å; S1529-L1538 PolarHBondContact O-N 2.76Å; S1529-L1538 WeakPolarHBondContact OG-CB 3.13Å; S1529-L1538 WeakPolarHBondContact OG-CD2 3.48Å; L1538-I1540 HydrophobicContact CD2-CD1 4.21Å; L1538-I1540 HydrophobicContact CD2-CG1 4.33Å; L1538-I1540 HydrophobicContact CG-CG1 4.28Å |
| 1539 | F | 93.4 | Very high | 89.7 | Confident | 14 Ų | 14 | 42.5 Ų | 42.5 | 6% | 0.061 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 133.4 | 165.3 | -65.9 | -88.4 | 0 | 0 | 0 | 109.3 | T1412 A1413 L1415 S1527 H1537 L1571 W1579 F1601 | T1412-F1539 CarbonylContact C-O 3.56Å; T1412-F1539 VanDerWaalsContact CA-O 3.29Å; T1412-F1539 WeakPolarHBondContact CA-O 3.35Å; A1413-F1539 HydrophobicContact CB-CB 4.32Å; A1413-F1539 PolarHBondContact N-O 2.96Å; A1413-F1539 PolarHBondContact O-N 3Å; L1415-F1539 HydrophobicContact CD1-CD2 3.93Å; L1415-F1539 HydrophobicContact CD1-CE2 4.01Å; S1527-F1539 CarbonylContact O-C 3.12Å; S1527-F1539 WeakPolarHBondContact O-CA 3.49Å; H1537-F1539 AromaticContact CE1-CE1 3.66Å; H1537-F1539 AromaticContact CE1-CE2 3.47Å; H1537-F1539 VanDerWaalsContact CE1-CE2 3.47Å; H1537-F1539 WeakPolarHBondContact CE1-CE2 3.4Å; H1537-F1539 AromaticContact CE1-CZ 3.22Å; H1537-F1539 WeakPolarHBondContact CE1-CZ 3.5Å; H1537-F1539 AromaticContact ND1-CD2 3.72Å; H1537-F1539 AromaticContact ND1-CE2 3.28Å; H1537-F1539 VanDerWaalsContact ND1-CE2 3.28Å; H1537-F1539 WeakPolarHBondContact ND1-CE2 3.17Å; H1537-F1539 AromaticContact ND1-CZ 3.58Å; H1537-F1539 AromaticContact NE2-CZ 3.91Å; F1539-L1571 HydrophobicContact CE1-CD2 4.46Å; F1539-L1571 HydrophobicContact CZ-CD2 3.94Å; F1539-W1579 AromaticContact CD1-NE1 3.86Å; F1539-W1579 AromaticContact CD2-CE2 3.79Å; F1539-W1579 AromaticContact CD2-CZ2 3.62Å; F1539-W1579 HydrophobicContact CD2-CZ2 3.62Å; F1539-W1579 AromaticContact CD2-NE1 3.59Å; F1539-W1579 AromaticContact CE2-CZ2 3.79Å; F1539-W1579 HydrophobicContact CE2-CZ2 3.79Å; F1539-W1579 HydrophobicContact CG-CZ2 4.37Å; F1539-W1579 AromaticContact CG-NE1 3.42Å; F1539-F1601 AromaticContact CE2-CE1 3.92Å; F1539-F1601 HydrophobicContact CE2-CE1 3.92Å; F1539-F1601 HydrophobicContact CE2-CZ 4.18Å; F1539-F1601 AromaticContact CZ-CE1 3.82Å; F1539-F1601 HydrophobicContact CZ-CE1 3.82Å; F1539-F1601 HydrophobicContact CZ-CE2 4.45Å; F1539-F1601 AromaticContact CZ-CZ 3.6Å; F1539-F1601 HydrophobicContact CZ-CZ 3.6Å |
| 1540 | I | 93.1 | Very high | 90 | Very high | 53 Ų | 53 | 39.8 Ų | 39.8 | 27% | 0.272 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 115.9 | 168.6 | -53.8 | 174 | 0 | 0 | 0 | 106.6 | T1410 T1412 S1527 L1538 | T1410-I1540 HydrophobicContact CG2-CG2 4.15Å; T1412-I1540 HydrophobicContact CG2-CG1 4.12Å; S1527-I1540 PolarHBondContact N-O 2.62Å; S1527-I1540 PolarHBondContact O-N 3.23Å; L1538-I1540 HydrophobicContact CD2-CD1 4.21Å; L1538-I1540 HydrophobicContact CD2-CG1 4.33Å; L1538-I1540 HydrophobicContact CG-CG1 4.28Å |
| 1541 | V | 94.5 | Very high | 90 | Very high | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.018 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 160.2 | 178.5 | -60.4 | 0 | 0 | 0 | 0 | 109.8 | T1410 L1411 V1526 F1543 P1575 I1576 W1579 | T1410-V1541 CarbonylContact C-O 3.57Å; T1410-V1541 WeakPolarHBondContact CA-O 3.46Å; L1411-V1541 HydrophobicContact CB-CG2 4Å; L1411-V1541 HydrophobicContact CD2-CG2 4.22Å; L1411-V1541 HydrophobicContact CG-CG2 4.22Å; L1411-V1541 PolarHBondContact N-O 3.24Å; L1411-V1541 WeakPolarHBondContact O-CG2 3.47Å; L1411-V1541 PolarHBondContact O-N 3.14Å; V1526-V1541 HydrophobicContact CG1-CG1 4.18Å; V1526-V1541 HydrophobicContact CG2-CG1 4.34Å; V1541-F1543 PolarHBondContact O-N 2.99Å; V1541-P1575 HydrophobicContact CG1-CB 4.49Å; V1541-I1576 HydrophobicContact CB-CG1 4.23Å; V1541-I1576 HydrophobicContact CG1-CG1 4.27Å; V1541-W1579 HydrophobicContact CG2-CB 4.03Å |
| 1542 | P | 93.9 | Very high | 90.2 | Very high | 21 Ų | 21 | 40 Ų | 40 | 14% | 0.136 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 137.4 | 169 | -24.5 | 35.3 | 0 | 0 | 0 | 111.6 | V1408 L1544 I1576 N1580 | V1408-P1542 HydrophobicContact CG1-CB 4.09Å; P1542-L1544 HydrophobicContact CB-CD2 4.02Å; P1542-L1544 PolarHBondContact O-N 2.83Å; P1542-I1576 HydrophobicContact CG-CD1 4.39Å; P1542-N1580 PolarHBondContact O-ND2 3.19Å |
| 1543 | F | 95 | Very high | 90.7 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.009 | 17% | 0.17 | C | C | . | . | trans | -86.7 | 106.7 | 170.7 | -178.8 | -141.7 | 0 | 0 | 0 | 108.8 | T1369 I1385 W1389 P1409 L1411 V1541 N1580 Y1583 | T1369-F1543 HydrophobicContact CG2-CD1 3.92Å; T1369-F1543 HydrophobicContact CG2-CD2 3.8Å; T1369-F1543 HydrophobicContact CG2-CE1 3.89Å; T1369-F1543 HydrophobicContact CG2-CE2 3.78Å; T1369-F1543 HydrophobicContact CG2-CG 3.91Å; T1369-F1543 HydrophobicContact CG2-CZ 3.83Å; I1385-F1543 HydrophobicContact CB-CE1 4.49Å; I1385-F1543 HydrophobicContact CG2-CD1 3.83Å; I1385-F1543 HydrophobicContact CG2-CE1 3.9Å; W1389-F1543 HydrophobicContact CH2-CE1 4Å; W1389-F1543 HydrophobicContact CH2-CE2 4.18Å; W1389-F1543 AromaticContact CH2-CZ 3.66Å; W1389-F1543 HydrophobicContact CH2-CZ 3.66Å; W1389-F1543 HydrophobicContact CZ2-CD1 4.01Å; W1389-F1543 AromaticContact CZ2-CE1 3.61Å; W1389-F1543 HydrophobicContact CZ2-CE1 3.61Å; W1389-F1543 HydrophobicContact CZ2-CE2 4.21Å; W1389-F1543 HydrophobicContact CZ2-CG 4.45Å; W1389-F1543 AromaticContact CZ2-CZ 3.72Å; W1389-F1543 HydrophobicContact CZ2-CZ 3.72Å; P1409-F1543 HydrophobicContact CB-CB 4.2Å; P1409-F1543 HydrophobicContact CB-CD1 4.36Å; P1409-F1543 HydrophobicContact CG-CB 4.19Å; P1409-F1543 HydrophobicContact CG-CD1 4.36Å; P1409-F1543 WeakPolarHBondContact CG-O 3.32Å; P1409-F1543 PolarHBondContact O-N 3.1Å; L1411-F1543 HydrophobicContact CB-CB 3.93Å; L1411-F1543 HydrophobicContact CB-CD2 4.28Å; L1411-F1543 HydrophobicContact CB-CG 4.42Å; V1541-F1543 PolarHBondContact O-N 2.99Å; F1543-N1580 WeakPolarHBondContact CD2-OD1 3.26Å; F1543-Y1583 AromaticContact CE2-CD1 3.83Å; F1543-Y1583 HydrophobicContact CE2-CD1 3.83Å; F1543-Y1583 AromaticContact CE2-CE1 3.65Å; F1543-Y1583 HydrophobicContact CE2-CE1 3.65Å; F1543-Y1583 HydrophobicContact CZ-CD1 4.37Å; F1543-Y1583 AromaticContact CZ-CE1 3.72Å; F1543-Y1583 HydrophobicContact CZ-CE1 3.72Å | ||
| 1544 | L | 93.5 | Very high | 90.9 | Very high | 13 Ų | 13 | 29.7 Ų | 29.7 | 7% | 0.068 | 13% | 0.132 | C | C | . | . | trans | -84.6 | 138.7 | -168.3 | -59.6 | -178.1 | 0 | 0 | 0 | 111.4 | W1389 L1396 P1542 L1546 L1549 I1576 N1580 | W1389-L1544 WeakPolarHBondContact CH2-O 3.32Å; W1389-L1544 VanDerWaalsContact CZ2-O 3.27Å; W1389-L1544 WeakPolarHBondContact CZ2-O 3.18Å; L1396-L1544 HydrophobicContact CD2-CD2 3.63Å; P1542-L1544 HydrophobicContact CB-CD2 4.02Å; P1542-L1544 PolarHBondContact O-N 2.83Å; L1544-L1546 PolarHBondContact O-N 2.88Å; L1544-L1549 HydrophobicContact CB-CB 4.15Å; L1544-L1549 HydrophobicContact CD1-CD1 4.01Å; L1544-I1576 HydrophobicContact CD1-CG2 3.69Å; L1544-I1576 HydrophobicContact CD2-CG2 4.27Å; L1544-I1576 HydrophobicContact CG-CG2 4.04Å; L1544-N1580 PolarHBondContact N-OD1 3.36Å | ||
| 1545 | N | 92.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -53.5 | 132.9 | 163.3 | -179.6 | -15.5 | 0 | 0 | 0 | 109.7 | W1389 F1390 I1547 V1548 L1549 | W1389-N1545 HydrophobicContact CD2-CB 3.95Å; W1389-N1545 HydrophobicContact CE3-CB 4.47Å; W1389-N1545 HydrophobicContact CG-CB 4.01Å; F1390-N1545 PolarHBondContact O-ND2 3.47Å; N1545-I1547 PolarHBondContact O-N 2.77Å; N1545-I1547 VanDerWaalsContact O-N 3.14Å; N1545-I1547 PolarHBondContact OD1-N 2.83Å; N1545-I1547 VanDerWaalsContact OD1-N 3.07Å; N1545-V1548 HydrophobicContact CB-CB 4.49Å; N1545-V1548 HydrophobicContact CB-CG2 4.07Å; N1545-V1548 PolarHBondContact O-N 3.46Å; N1545-L1549 PolarHBondContact O-N 2.88Å | ||
| 1546 | L | 94 | Very high | 90.6 | Very high | 6 Ų | 6 | 21.4 Ų | 21.4 | 3% | 0.031 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59 | -27.8 | -177.3 | -63.2 | -178.9 | 0 | 0 | 0 | 113.2 | L781 A785 L788 W1389 L1544 L1549 R1550 V1584 F1746 | L781-L1546 HydrophobicContact CB-CD1 4.11Å; L781-L1546 HydrophobicContact CD2-CB 4.41Å; L781-L1546 HydrophobicContact CD2-CD1 4.28Å; L781-L1546 VanDerWaalsContact O-CD1 3.27Å; L781-L1546 WeakPolarHBondContact O-CD1 3.49Å; A785-L1546 HydrophobicContact CB-CD1 4.21Å; L788-L1546 HydrophobicContact CD1-CD2 4.01Å; W1389-L1546 HydrophobicContact CH2-CG 4.13Å; W1389-L1546 HydrophobicContact CZ3-CB 4.44Å; W1389-L1546 HydrophobicContact CZ3-CD1 4.33Å; W1389-L1546 HydrophobicContact CZ3-CG 3.75Å; L1544-L1546 PolarHBondContact O-N 2.88Å; L1546-L1549 HydrophobicContact CD2-CD2 4.11Å; L1546-R1550 VanDerWaalsContact O-CB 3.25Å; L1546-R1550 WeakPolarHBondContact O-CB 3.43Å; L1546-R1550 PolarHBondContact O-N 2.89Å; L1546-V1584 HydrophobicContact CD2-CG2 3.5Å; L1546-V1584 VanDerWaalsContact CD2-CG2 3.5Å; L1546-F1746 HydrophobicContact CD1-CZ 4.44Å |
| 1547 | I | 92.1 | Very high | 90 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.2 | -46.1 | 175.3 | -53.1 | -177.9 | 0 | 0 | 0 | 110.6 | L764 A767 W777 Y784 D1393 N1545 K1551 | L764-I1547 HydrophobicContact CD1-CG2 4.23Å; A767-I1547 HydrophobicContact CB-CD1 3.94Å; W777-I1547 HydrophobicContact CH2-CD1 3.91Å; W777-I1547 HydrophobicContact CZ3-CD1 4.35Å; Y784-I1547 HydrophobicContact CD1-CB 4.42Å; Y784-I1547 HydrophobicContact CD1-CG1 4.05Å; Y784-I1547 HydrophobicContact CE1-CB 3.86Å; Y784-I1547 HydrophobicContact CE1-CD1 4.49Å; Y784-I1547 HydrophobicContact CE1-CG1 3.53Å; Y784-I1547 HydrophobicContact CE1-CG2 3.92Å; D1393-I1547 HydrophobicContact CB-CG2 3.8Å; N1545-I1547 PolarHBondContact O-N 2.77Å; N1545-I1547 VanDerWaalsContact O-N 3.14Å; N1545-I1547 PolarHBondContact OD1-N 2.83Å; N1545-I1547 VanDerWaalsContact OD1-N 3.07Å; I1547-K1551 PolarHBondContact O-N 2.94Å |
| 1548 | V | 91.5 | Very high | 88.9 | Confident | 7 Ų | 7 | 23.3 Ų | 23.3 | 4% | 0.042 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -70.2 | -45.4 | 178.6 | -174.6 | 0 | 0 | 0 | 0 | 110.7 | D1395 L1396 N1545 R1550 K1551 E1552 | D1395-V1548 WeakPolarHBondContact O-CG2 3.33Å; L1396-V1548 HydrophobicContact CD2-CB 4.14Å; L1396-V1548 HydrophobicContact CD2-CG1 3.57Å; L1396-V1548 HydrophobicContact CD2-CG2 4.25Å; N1545-V1548 HydrophobicContact CB-CB 4.49Å; N1545-V1548 HydrophobicContact CB-CG2 4.07Å; N1545-V1548 PolarHBondContact O-N 3.46Å; V1548-R1550 PolarHBondContact O-N 2.6Å; V1548-K1551 PolarHBondContact O-N 3.03Å; V1548-K1551 VanDerWaalsContact O-N 3.11Å; V1548-E1552 HydrophobicContact CG1-CG 4.27Å; V1548-E1552 WeakPolarHBondContact O-CG 3.46Å; V1548-E1552 PolarHBondContact O-N 3.31Å |
| 1549 | L | 94.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -54.9 | -41.5 | 177.6 | 179.3 | 61.2 | 0 | 0 | 0 | 111.6 | L788 L1544 N1545 L1546 L1553 L1577 N1580 L1581 V1584 | L788-L1549 HydrophobicContact CD1-CD2 3.72Å; L788-L1549 HydrophobicContact CD1-CG 4.1Å; L788-L1549 HydrophobicContact CD2-CD2 4.49Å; L788-L1549 HydrophobicContact CD2-CG 4.08Å; L1544-L1549 HydrophobicContact CB-CB 4.15Å; L1544-L1549 HydrophobicContact CD1-CD1 4.01Å; N1545-L1549 PolarHBondContact O-N 2.88Å; L1546-L1549 HydrophobicContact CD2-CD2 4.11Å; L1549-L1553 WeakPolarHBondContact O-CB 3.46Å; L1549-L1553 PolarHBondContact O-N 2.73Å; L1549-L1577 HydrophobicContact CD1-CD2 3.72Å; L1549-N1580 HydrophobicContact CD1-CB 3.82Å; L1549-N1580 HydrophobicContact CD2-CB 3.87Å; L1549-L1581 HydrophobicContact CD1-CD2 4.46Å; L1549-L1581 HydrophobicContact CD2-CD2 4.37Å; L1549-L1581 HydrophobicContact CG-CD2 4.44Å; L1549-V1584 HydrophobicContact CD2-CG2 4.18Å |
| 1550 | R | 91.1 | Very high | 86.5 | Confident | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.015 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.3 | -48.5 | 176.2 | -177.2 | -164.3 | 70.3 | -176.2 | -5.4 | 112.2 | R755 Y784 L788 I791 L1546 V1548 E1552 L1553 E1554 | R755-R1550 VanDerWaalsContact NH1-CZ 3.31Å; R755-R1550 VanDerWaalsContact NH1-NE 3.1Å; Y784-R1550 HydrophobicContact CD1-CB 4.4Å; Y784-R1550 PolarHBondContact OH-NH1 2.7Å; Y784-R1550 VanDerWaalsContact OH-NH1 3.12Å; Y784-R1550 PolarHBondContact OH-NH2 2.9Å; L788-R1550 HydrophobicContact CD2-CB 3.89Å; L788-R1550 HydrophobicContact CD2-CG 4.38Å; L788-R1550 HydrophobicContact CG-CB 4.32Å; I791-R1550 HydrophobicContact CD1-CG 4.15Å; L1546-R1550 VanDerWaalsContact O-CB 3.25Å; L1546-R1550 WeakPolarHBondContact O-CB 3.43Å; L1546-R1550 PolarHBondContact O-N 2.89Å; V1548-R1550 PolarHBondContact O-N 2.6Å; R1550-E1552 VanDerWaalsContact C-N 3.32Å; R1550-E1552 PolarHBondContact O-N 3.02Å; R1550-L1553 PolarHBondContact O-N 2.69Å; R1550-E1554 VanDerWaalsContact CG-OE1 3.24Å; R1550-E1554 WeakPolarHBondContact CG-OE1 3.32Å; R1550-E1554 IonicContact NE-OE1 3.69Å; R1550-E1554 WeakPolarHBondContact O-CB 3.19Å; R1550-E1554 WeakPolarHBondContact O-CG 3.47Å; R1550-E1554 PolarHBondContact O-N 2.88Å |
| 1551 | K | 86 | Confident | 85.5 | Confident | 58 Ų | 58 | 27 Ų | 27 | 25% | 0.252 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -58 | -45.2 | 177.8 | 178.3 | 179.7 | -177.6 | 169.4 | 0 | 111.6 | D1393 S1394 I1547 V1548 E1554 N1555 | D1393-K1551 HydrophobicContact CB-CD 3.99Å; D1393-K1551 WeakPolarHBondContact O-CD 3.42Å; D1393-K1551 IonicContact OD1-NZ 3.88Å; D1393-K1551 PolarHBondContact OD1-NZ 3.28Å; D1393-K1551 WeakPolarHBondContact OD2-CD 3.26Å; D1393-K1551 WeakPolarHBondContact OD2-CE 3.29Å; D1393-K1551 IonicContact OD2-NZ 2.83Å; D1393-K1551 PolarHBondContact OD2-NZ 3.36Å; S1394-K1551 PolarHBondContact OG-NZ 3.25Å; I1547-K1551 PolarHBondContact O-N 2.94Å; V1548-K1551 PolarHBondContact O-N 3.03Å; V1548-K1551 VanDerWaalsContact O-N 3.11Å; K1551-E1554 PolarHBondContact O-N 2.92Å; K1551-N1555 WeakPolarHBondContact O-CB 3.48Å; K1551-N1555 PolarHBondContact O-N 2.77Å; K1551-N1555 PolarHBondContact O-ND2 3.42Å |
| 1552 | E | 88.2 | Confident | 84.7 | Confident | 88 Ų | 88 | 28.7 Ų | 28.7 | 41% | 0.411 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -65.9 | -39.6 | 178.3 | -67.5 | -60.5 | 131.8 | 0 | 0 | 112.4 | V1548 R1550 M1556 L1577 | V1548-E1552 HydrophobicContact CG1-CG 4.27Å; V1548-E1552 WeakPolarHBondContact O-CG 3.46Å; V1548-E1552 PolarHBondContact O-N 3.31Å; R1550-E1552 VanDerWaalsContact C-N 3.32Å; R1550-E1552 PolarHBondContact O-N 3.02Å; E1552-M1556 WeakPolarHBondContact O-CB 3.44Å; E1552-M1556 PolarHBondContact O-N 2.86Å; E1552-L1577 HydrophobicContact CB-CD2 3.81Å |
| 1553 | L | 90.4 | Very high | 83.9 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.7 | -44.1 | 174.7 | -178.5 | 62.5 | 0 | 0 | 0 | 111.7 | L788 I791 L1549 R1550 M1556 V1557 L1565 L1581 | L788-L1553 HydrophobicContact CD2-CB 4.31Å; L788-L1553 HydrophobicContact CD2-CD2 3.69Å; I791-L1553 HydrophobicContact CB-CD2 3.91Å; I791-L1553 HydrophobicContact CG2-CD2 3.59Å; I791-L1553 HydrophobicContact CG2-CG 3.73Å; L1549-L1553 WeakPolarHBondContact O-CB 3.46Å; L1549-L1553 PolarHBondContact O-N 2.73Å; R1550-L1553 PolarHBondContact O-N 2.69Å; L1553-M1556 HydrophobicContact CD1-CE 3.89Å; L1553-M1556 PolarHBondContact O-N 2.82Å; L1553-V1557 HydrophobicContact CD1-CG2 4.28Å; L1553-V1557 WeakPolarHBondContact O-CG2 3.39Å; L1553-V1557 PolarHBondContact O-N 3.09Å; L1553-L1565 HydrophobicContact CD1-CD1 4.28Å; L1553-L1565 HydrophobicContact CD1-CD2 4.01Å; L1553-L1581 HydrophobicContact CD1-CD1 4.12Å; L1553-L1581 HydrophobicContact CD2-CD2 3.99Å |
| 1554 | E | 84.5 | Confident | 83.3 | Confident | 13 Ų | 13 | 31.5 Ų | 31.5 | 6% | 0.061 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.2 | -49.2 | 177.1 | -76.5 | 168.3 | -168 | 0 | 0 | 111.3 | R755 I791 R1550 K1551 M1556 V1557 I1558 | R755-E1554 IonicContact CZ-OE1 3.54Å; R755-E1554 VanDerWaalsContact NH1-CD 3.3Å; R755-E1554 IonicContact NH1-OE1 3.44Å; R755-E1554 PolarHBondContact NH1-OE1 3.09Å; R755-E1554 IonicContact NH1-OE2 3.88Å; R755-E1554 PolarHBondContact NH1-OE2 2.8Å; R755-E1554 IonicContact NH2-OE1 3.21Å; I791-E1554 HydrophobicContact CD1-CG 3.8Å; I791-E1554 WeakPolarHBondContact CD1-OE1 3.48Å; R1550-E1554 VanDerWaalsContact CG-OE1 3.24Å; R1550-E1554 WeakPolarHBondContact CG-OE1 3.32Å; R1550-E1554 IonicContact NE-OE1 3.69Å; R1550-E1554 WeakPolarHBondContact O-CB 3.19Å; R1550-E1554 WeakPolarHBondContact O-CG 3.47Å; R1550-E1554 PolarHBondContact O-N 2.88Å; K1551-E1554 PolarHBondContact O-N 2.92Å; E1554-M1556 VanDerWaalsContact C-N 3.26Å; E1554-M1556 PolarHBondContact O-N 2.69Å; E1554-V1557 PolarHBondContact O-N 2.93Å; E1554-I1558 WeakPolarHBondContact O-CB 3.43Å; E1554-I1558 WeakPolarHBondContact O-CD1 3.34Å; E1554-I1558 WeakPolarHBondContact O-CG1 3.27Å; E1554-I1558 PolarHBondContact O-N 3.49Å |
| 1555 | N | 79.6 | Confident | 83.1 | Confident | 80 Ų | 80 | 30.9 Ų | 30.9 | 43% | 0.428 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -56.6 | -42.7 | 177.1 | -72.6 | -20.7 | 0 | 0 | 0 | 111.5 | K1551 I1558 S1559 | K1551-N1555 WeakPolarHBondContact O-CB 3.48Å; K1551-N1555 PolarHBondContact O-N 2.77Å; K1551-N1555 PolarHBondContact O-ND2 3.42Å; N1555-I1558 PolarHBondContact O-N 3.28Å; N1555-S1559 WeakPolarHBondContact O-CB 3.41Å; N1555-S1559 PolarHBondContact O-N 3.01Å; N1555-S1559 PolarHBondContact O-OG 3.23Å; N1555-S1559 VanDerWaalsContact O-OG 3.09Å |
| 1556 | M | 80.7 | Confident | 82.9 | Confident | 8 Ų | 8 | 33.2 Ų | 33.2 | 4% | 0.039 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.3 | -43 | 178.5 | -172.6 | -176.8 | 77 | 0 | 0 | 112.6 | E1552 L1553 E1554 I1558 S1559 D1560 L1565 F1570 K1574 L1577 | E1552-M1556 WeakPolarHBondContact O-CB 3.44Å; E1552-M1556 PolarHBondContact O-N 2.86Å; L1553-M1556 HydrophobicContact CD1-CE 3.89Å; L1553-M1556 PolarHBondContact O-N 2.82Å; E1554-M1556 VanDerWaalsContact C-N 3.26Å; E1554-M1556 PolarHBondContact O-N 2.69Å; M1556-I1558 VanDerWaalsContact C-N 3.26Å; M1556-I1558 PolarHBondContact O-N 3.15Å; M1556-S1559 PolarHBondContact O-N 2.85Å; M1556-S1559 PolarHBondContact O-OG 2.93Å; M1556-D1560 HydrophobicContact CG-CB 4.34Å; M1556-D1560 WeakPolarHBondContact O-CA 3.43Å; M1556-D1560 WeakPolarHBondContact O-CB 3.3Å; M1556-D1560 PolarHBondContact O-N 2.67Å; M1556-L1565 HydrophobicContact CE-CD2 3.28Å; M1556-L1565 HydrophobicContact CE-CG 4.06Å; M1556-F1570 HydrophobicContact CE-CE2 3.58Å; M1556-F1570 HydrophobicContact CE-CZ 3.84Å; M1556-F1570 HydrophobicContact SD-CE2 3.72Å; M1556-F1570 HydrophobicContact SD-CZ 4.43Å; M1556-K1574 HydrophobicContact SD-CG 4.25Å; M1556-L1577 HydrophobicContact CE-CD1 4.34Å; M1556-L1577 HydrophobicContact SD-CD1 3.64Å |
| 1557 | V | 78.6 | Confident | 82.5 | Confident | 11 Ų | 11 | 35.2 Ų | 35.2 | 7% | 0.067 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.6 | -33.4 | 176.5 | 172.3 | 0 | 0 | 0 | 0 | 111 | A753 I791 L1553 E1554 G1561 D1562 L1565 | A753-V1557 HydrophobicContact CB-CG1 4.48Å; I791-V1557 HydrophobicContact CG2-CG2 4.1Å; L1553-V1557 HydrophobicContact CD1-CG2 4.28Å; L1553-V1557 WeakPolarHBondContact O-CG2 3.39Å; L1553-V1557 PolarHBondContact O-N 3.09Å; E1554-V1557 PolarHBondContact O-N 2.93Å; V1557-G1561 CarbonylContact O-C 3.54Å; V1557-G1561 WeakPolarHBondContact O-CA 3.41Å; V1557-G1561 PolarHBondContact O-N 3.14Å; V1557-G1561 VanDerWaalsContact O-N 3.14Å; V1557-D1562 HydrophobicContact CG1-CB 4.48Å; V1557-L1565 HydrophobicContact CG2-CD1 3.99Å |
| 1558 | I | 68.1 | Low | 82.1 | Confident | 74 Ų | 74 | 40.2 Ų | 40.2 | 38% | 0.379 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -72.3 | -42.4 | 176.2 | -66.9 | 162.1 | 0 | 0 | 0 | 111.4 | K754 E1554 N1555 M1556 | K754-I1558 HydrophobicContact CB-CD1 3.93Å; K754-I1558 HydrophobicContact CB-CG1 3.96Å; K754-I1558 HydrophobicContact CD-CD1 4.16Å; K754-I1558 HydrophobicContact CD-CG1 4.24Å; K754-I1558 HydrophobicContact CG-CD1 3.66Å; K754-I1558 HydrophobicContact CG-CG1 4.05Å; E1554-I1558 WeakPolarHBondContact O-CB 3.43Å; E1554-I1558 WeakPolarHBondContact O-CD1 3.34Å; E1554-I1558 WeakPolarHBondContact O-CG1 3.27Å; E1554-I1558 PolarHBondContact O-N 3.49Å; N1555-I1558 PolarHBondContact O-N 3.28Å; M1556-I1558 VanDerWaalsContact C-N 3.26Å; M1556-I1558 PolarHBondContact O-N 3.15Å |
| 1559 | S | 65.6 | Low | 81.9 | Confident | 70 Ų | 70 | 42.7 Ų | 42.7 | 49% | 0.49 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -81.8 | -45 | -176.5 | 68.2 | 0 | 0 | 0 | 0 | 113.4 | N1555 M1556 | N1555-S1559 WeakPolarHBondContact O-CB 3.41Å; N1555-S1559 PolarHBondContact O-N 3.01Å; N1555-S1559 PolarHBondContact O-OG 3.23Å; N1555-S1559 VanDerWaalsContact O-OG 3.09Å; M1556-S1559 PolarHBondContact O-N 2.85Å; M1556-S1559 PolarHBondContact O-OG 2.93Å |
| 1560 | D | 68.8 | Low | 81.8 | Confident | 83 Ų | 83 | 43 Ų | 43 | 44% | 0.444 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -105.4 | -7.7 | -169 | -53.8 | -5.9 | 0 | 0 | 0 | 111.8 | M1556 | M1556-D1560 HydrophobicContact CG-CB 4.34Å; M1556-D1560 WeakPolarHBondContact O-CA 3.43Å; M1556-D1560 WeakPolarHBondContact O-CB 3.3Å; M1556-D1560 PolarHBondContact O-N 2.67Å |
| 1561 | G | 72 | Confident | 81.8 | Confident | 27 Ų | 27 | 42.9 Ų | 42.9 | 28% | 0.278 | 24% | 0.243 | S | C | . | . | trans | 75.8 | 166.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V1557 A1563 S1564 | V1557-G1561 CarbonylContact O-C 3.54Å; V1557-G1561 WeakPolarHBondContact O-CA 3.41Å; V1557-G1561 PolarHBondContact O-N 3.14Å; V1557-G1561 VanDerWaalsContact O-N 3.14Å; G1561-A1563 PolarHBondContact O-N 3.42Å; G1561-S1564 WeakPolarHBondContact O-CB 3.39Å; G1561-S1564 PolarHBondContact O-N 2.87Å; G1561-S1564 PolarHBondContact O-OG 3.11Å | ||
| 1562 | D | 79.1 | Confident | 81.9 | Confident | 38 Ų | 38 | 44 Ų | 44 | 20% | 0.203 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -70.1 | -17.9 | 176.1 | 70 | -27.5 | 0 | 0 | 0 | 113 | P794 K798 V1557 S1564 L1565 | P794-D1562 HydrophobicContact CB-CB 4.5Å; K798-D1562 WeakPolarHBondContact CE-OD2 3.06Å; K798-D1562 IonicContact NZ-OD1 3.64Å; K798-D1562 PolarHBondContact NZ-OD1 3.12Å; K798-D1562 IonicContact NZ-OD2 2.74Å; K798-D1562 PolarHBondContact NZ-OD2 3.43Å; V1557-D1562 HydrophobicContact CG1-CB 4.48Å; D1562-S1564 PolarHBondContact O-N 2.85Å; D1562-L1565 WeakPolarHBondContact O-CB 3.41Å; D1562-L1565 PolarHBondContact O-N 2.78Å |
| 1563 | A | 77.4 | Confident | 81.9 | Confident | 60 Ų | 60 | 46.6 Ų | 46.6 | 50% | 0.496 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -59.1 | -28.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G1561 L1565 V1566 D1567 | G1561-A1563 PolarHBondContact O-N 3.42Å; A1563-L1565 PolarHBondContact O-N 2.76Å; A1563-V1566 PolarHBondContact O-N 2.69Å; A1563-D1567 PolarHBondContact O-N 2.93Å; A1563-D1567 VanDerWaalsContact O-N 3.15Å |
| 1564 | S | 82.1 | Confident | 81.9 | Confident | 21 Ų | 21 | 50.9 Ų | 50.9 | 15% | 0.147 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -59.8 | -28 | 174.1 | 67.4 | 0 | 0 | 0 | 0 | 113.3 | G1561 D1562 | G1561-S1564 WeakPolarHBondContact O-CB 3.39Å; G1561-S1564 PolarHBondContact O-N 2.87Å; G1561-S1564 PolarHBondContact O-OG 3.11Å; D1562-S1564 PolarHBondContact O-N 2.85Å |
| 1565 | L | 88.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -84.7 | -13.5 | 176.2 | -62 | 176.6 | 0 | 0 | 0 | 112.8 | A795 L1553 M1556 V1557 D1562 A1563 F1570 H1593 F1594 | A795-L1565 HydrophobicContact CB-CB 3.5Å; A795-L1565 HydrophobicContact CB-CD1 4.08Å; A795-L1565 HydrophobicContact CB-CG 4.43Å; L1553-L1565 HydrophobicContact CD1-CD1 4.28Å; L1553-L1565 HydrophobicContact CD1-CD2 4.01Å; M1556-L1565 HydrophobicContact CE-CD2 3.28Å; M1556-L1565 HydrophobicContact CE-CG 4.06Å; V1557-L1565 HydrophobicContact CG2-CD1 3.99Å; D1562-L1565 WeakPolarHBondContact O-CB 3.41Å; D1562-L1565 PolarHBondContact O-N 2.78Å; A1563-L1565 PolarHBondContact O-N 2.76Å; L1565-F1570 HydrophobicContact CD2-CD1 4.36Å; L1565-F1570 HydrophobicContact CD2-CE1 3.75Å; L1565-F1570 HydrophobicContact CD2-CE2 4.07Å; L1565-F1570 HydrophobicContact CD2-CZ 3.59Å; L1565-H1593 PolarHBondContact O-NE2 3.18Å; L1565-F1594 HydrophobicContact CD2-CZ 4.19Å |
| 1566 | V | 88 | Confident | 83 | Confident | 49 Ų | 49 | 49.9 Ų | 49.9 | 30% | 0.297 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -16.6 | 175.8 | -173.4 | 0 | 0 | 0 | 0 | 111 | A795 K798 A1563 E1568 F1597 | A795-V1566 HydrophobicContact CB-CG2 3.81Å; K798-V1566 HydrophobicContact CB-CG2 4.2Å; K798-V1566 HydrophobicContact CD-CG2 4.46Å; A1563-V1566 PolarHBondContact O-N 2.69Å; V1566-E1568 PolarHBondContact O-N 3.08Å; V1566-F1597 VanDerWaalsContact O-CZ 3.23Å; V1566-F1597 WeakPolarHBondContact O-CZ 3.34Å |
| 1567 | D | 86.7 | Confident | 83.6 | Confident | 48 Ų | 48 | 50.2 Ų | 50.2 | 26% | 0.257 | 27% | 0.271 | S | S | . | . | trans | -63 | 123.2 | 176.5 | -164.8 | -32.1 | 0 | 0 | 0 | 111.3 | A1563 D1569 F1570 R1573 F1597 | A1563-D1567 PolarHBondContact O-N 2.93Å; A1563-D1567 VanDerWaalsContact O-N 3.15Å; D1567-D1569 PolarHBondContact O-N 2.74Å; D1567-D1569 WeakPolarHBondContact OD1-CB 3.19Å; D1567-D1569 PolarHBondContact OD1-N 2.93Å; D1567-F1570 WeakPolarHBondContact O-CB 3.37Å; D1567-F1570 PolarHBondContact O-N 2.96Å; D1567-R1573 IonicContact OD1-CZ 2.85Å; D1567-R1573 IonicContact OD1-NH2 3.95Å; D1567-R1573 PolarHBondContact OD1-NH2 2.82Å; D1567-R1573 IonicContact OD2-CZ 3.94Å; D1567-R1573 IonicContact OD2-NE 3.97Å; D1567-R1573 IonicContact OD2-NH1 2.87Å; D1567-R1573 PolarHBondContact OD2-NH1 2.86Å; D1567-R1573 IonicContact OD2-NH2 2.7Å; D1567-R1573 PolarHBondContact OD2-NH2 2.87Å; D1567-F1597 WeakPolarHBondContact O-CE2 3.28Å | ||
| 1568 | E | 84.2 | Confident | 84.5 | Confident | 105 Ų | 105 | 49.7 Ų | 49.7 | 49% | 0.491 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -25.5 | -179.6 | -60.4 | -170.8 | 173.2 | 0 | 0 | 112.5 | V1566 F1570 F1597 K1600 | V1566-E1568 PolarHBondContact O-N 3.08Å; E1568-F1570 PolarHBondContact O-N 3.4Å; E1568-F1597 HydrophobicContact CG-CD1 4.29Å; E1568-F1597 HydrophobicContact CG-CE1 4.01Å; E1568-K1600 IonicContact OE1-NZ 2.79Å; E1568-K1600 PolarHBondContact OE1-NZ 3.38Å; E1568-K1600 IonicContact OE2-NZ 3.78Å |
| 1569 | D | 86.8 | Confident | 85.9 | Confident | 60 Ų | 60 | 46.2 Ų | 46.2 | 32% | 0.321 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | 2.1 | 175.2 | -65.8 | -33.7 | 0 | 0 | 0 | 112.6 | D1567 L1571 E1572 R1573 | D1567-D1569 PolarHBondContact O-N 2.74Å; D1567-D1569 WeakPolarHBondContact OD1-CB 3.19Å; D1567-D1569 PolarHBondContact OD1-N 2.93Å; D1569-L1571 PolarHBondContact O-N 3.15Å; D1569-E1572 WeakPolarHBondContact O-CA 3.11Å; D1569-E1572 PolarHBondContact O-N 3.22Å; D1569-R1573 HydrophobicContact CB-CG 4.18Å; D1569-R1573 WeakPolarHBondContact O-CG 3.25Å; D1569-R1573 PolarHBondContact O-N 3.33Å; D1569-R1573 IonicContact OD2-CZ 2.72Å; D1569-R1573 IonicContact OD2-NE 3.47Å; D1569-R1573 IonicContact OD2-NH2 3.22Å; D1569-R1573 PolarHBondContact OD2-NH2 3.22Å |
| 1570 | F | 91.1 | Very high | 87.4 | Confident | 5 Ų | 5 | 42.9 Ų | 42.9 | 2% | 0.022 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -54.5 | -38.5 | -177.7 | 178 | -127.5 | 0 | 0 | 0 | 112.5 | M1556 L1565 D1567 E1568 E1572 R1573 K1574 L1577 F1578 L1581 F1594 | M1556-F1570 HydrophobicContact CE-CE2 3.58Å; M1556-F1570 HydrophobicContact CE-CZ 3.84Å; M1556-F1570 HydrophobicContact SD-CE2 3.72Å; M1556-F1570 HydrophobicContact SD-CZ 4.43Å; L1565-F1570 HydrophobicContact CD2-CD1 4.36Å; L1565-F1570 HydrophobicContact CD2-CE1 3.75Å; L1565-F1570 HydrophobicContact CD2-CE2 4.07Å; L1565-F1570 HydrophobicContact CD2-CZ 3.59Å; D1567-F1570 WeakPolarHBondContact O-CB 3.37Å; D1567-F1570 PolarHBondContact O-N 2.96Å; E1568-F1570 PolarHBondContact O-N 3.4Å; F1570-E1572 PolarHBondContact O-N 3.35Å; F1570-R1573 PolarHBondContact O-N 3.27Å; F1570-K1574 HydrophobicContact CD2-CB 4.02Å; F1570-K1574 HydrophobicContact CD2-CG 4.31Å; F1570-K1574 HydrophobicContact CE2-CB 3.67Å; F1570-K1574 HydrophobicContact CE2-CG 4.07Å; F1570-K1574 HydrophobicContact CZ-CB 4.5Å; F1570-K1574 PolarHBondContact O-N 3.19Å; F1570-L1577 HydrophobicContact CZ-CB 4.15Å; F1570-F1578 AromaticContact CD1-CD2 3.59Å; F1570-F1578 HydrophobicContact CD1-CD2 3.59Å; F1570-F1578 HydrophobicContact CD1-CE2 4.35Å; F1570-F1578 HydrophobicContact CE1-CB 4.27Å; F1570-F1578 AromaticContact CE1-CD2 3.92Å; F1570-F1578 HydrophobicContact CE1-CD2 3.92Å; F1570-F1578 HydrophobicContact CG-CD2 4.43Å; F1570-L1581 HydrophobicContact CE1-CD1 4.4Å; F1570-L1581 HydrophobicContact CZ-CD1 4.38Å; F1570-F1594 AromaticContact CD1-CE1 3.86Å; F1570-F1594 HydrophobicContact CD1-CE1 3.86Å; F1570-F1594 HydrophobicContact CD1-CZ 4.02Å; F1570-F1594 HydrophobicContact CE1-CE1 4.01Å; F1570-F1594 HydrophobicContact CE1-CE2 4.23Å; F1570-F1594 AromaticContact CE1-CZ 3.66Å; F1570-F1594 HydrophobicContact CE1-CZ 3.66Å |
| 1571 | L | 91.3 | Very high | 88.7 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.2 | -46.6 | 172.7 | -178.3 | 162.6 | 0 | 0 | 0 | 111.7 | F1539 D1569 P1575 F1578 W1579 I1598 F1601 | F1539-L1571 HydrophobicContact CE1-CD2 4.46Å; F1539-L1571 HydrophobicContact CZ-CD2 3.94Å; D1569-L1571 PolarHBondContact O-N 3.15Å; L1571-P1575 VanDerWaalsContact O-CA 3.26Å; L1571-P1575 WeakPolarHBondContact O-CA 3.48Å; L1571-P1575 WeakPolarHBondContact O-CB 3.42Å; L1571-P1575 WeakPolarHBondContact O-CD 3.47Å; L1571-F1578 HydrophobicContact CB-CD1 4.07Å; L1571-F1578 HydrophobicContact CB-CD2 3.89Å; L1571-F1578 HydrophobicContact CB-CE1 4.14Å; L1571-F1578 HydrophobicContact CB-CE2 3.96Å; L1571-F1578 HydrophobicContact CB-CG 3.96Å; L1571-F1578 HydrophobicContact CB-CZ 4.09Å; L1571-F1578 HydrophobicContact CD1-CD1 4.03Å; L1571-F1578 HydrophobicContact CD1-CE1 3.54Å; L1571-F1578 HydrophobicContact CD1-CZ 3.85Å; L1571-F1578 HydrophobicContact CG-CD1 3.82Å; L1571-F1578 HydrophobicContact CG-CE1 3.87Å; L1571-F1578 HydrophobicContact CG-CG 4.19Å; L1571-F1578 HydrophobicContact CG-CZ 4.26Å; L1571-W1579 HydrophobicContact CD1-CH2 4.45Å; L1571-W1579 HydrophobicContact CD1-CZ2 4.01Å; L1571-W1579 HydrophobicContact CG-CZ2 4.47Å; L1571-I1598 HydrophobicContact CD1-CG1 4.36Å; L1571-F1601 HydrophobicContact CD1-CB 4.18Å; L1571-F1601 HydrophobicContact CD1-CD1 4.34Å; L1571-F1601 HydrophobicContact CD1-CD2 4.5Å; L1571-F1601 HydrophobicContact CD1-CG 4.08Å; L1571-F1601 HydrophobicContact CD2-CD1 4.44Å; L1571-F1601 HydrophobicContact CD2-CD2 3.78Å; L1571-F1601 HydrophobicContact CD2-CE1 4.48Å; L1571-F1601 HydrophobicContact CD2-CE2 3.81Å; L1571-F1601 HydrophobicContact CD2-CG 4.11Å; L1571-F1601 HydrophobicContact CD2-CZ 4.18Å |
| 1572 | E | 89.5 | Confident | 89.9 | Confident | 83 Ų | 83 | 37.8 Ų | 37.8 | 39% | 0.388 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -74.1 | -36.2 | -177 | -65.7 | -174.7 | -167 | 0 | 0 | 111.9 | D1569 F1570 F1601 K1604 | D1569-E1572 WeakPolarHBondContact O-CA 3.11Å; D1569-E1572 PolarHBondContact O-N 3.22Å; F1570-E1572 PolarHBondContact O-N 3.35Å; E1572-F1601 HydrophobicContact CG-CD2 3.97Å; E1572-F1601 HydrophobicContact CG-CE2 3.84Å; E1572-F1601 WeakPolarHBondContact OE1-CD2 3.34Å; E1572-K1604 VanDerWaalsContact CD-NZ 3.34Å; E1572-K1604 IonicContact OE1-NZ 3.79Å; E1572-K1604 PolarHBondContact OE1-NZ 3.45Å; E1572-K1604 IonicContact OE2-NZ 3.92Å; E1572-K1604 PolarHBondContact OE2-NZ 3.4Å |
| 1573 | R | 87 | Confident | 90.7 | Very high | 141 Ų | 141 | 36.3 Ų | 36.3 | 53% | 0.532 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -80.2 | -37.8 | -176.9 | -65.7 | -176.9 | -162.7 | 165.9 | 19.3 | 113.3 | D1567 D1569 F1570 | D1567-R1573 IonicContact OD1-CZ 2.85Å; D1567-R1573 IonicContact OD1-NH2 3.95Å; D1567-R1573 PolarHBondContact OD1-NH2 2.82Å; D1567-R1573 IonicContact OD2-CZ 3.94Å; D1567-R1573 IonicContact OD2-NE 3.97Å; D1567-R1573 IonicContact OD2-NH1 2.87Å; D1567-R1573 PolarHBondContact OD2-NH1 2.86Å; D1567-R1573 IonicContact OD2-NH2 2.7Å; D1567-R1573 PolarHBondContact OD2-NH2 2.87Å; D1569-R1573 HydrophobicContact CB-CG 4.18Å; D1569-R1573 WeakPolarHBondContact O-CG 3.25Å; D1569-R1573 PolarHBondContact O-N 3.33Å; D1569-R1573 IonicContact OD2-CZ 2.72Å; D1569-R1573 IonicContact OD2-NE 3.47Å; D1569-R1573 IonicContact OD2-NH2 3.22Å; D1569-R1573 PolarHBondContact OD2-NH2 3.22Å; F1570-R1573 PolarHBondContact O-N 3.27Å |
| 1574 | K | 90.4 | Very high | 91.6 | Very high | 91 Ų | 91 | 33.7 Ų | 33.7 | 40% | 0.396 | 16% | 0.163 | S | C | . | . | trans | -135.1 | 57.8 | -174.4 | -59.7 | -78.3 | -173.8 | 158.3 | 0 | 111.3 | M1556 F1570 I1576 L1577 F1578 | M1556-K1574 HydrophobicContact SD-CG 4.25Å; F1570-K1574 HydrophobicContact CD2-CB 4.02Å; F1570-K1574 HydrophobicContact CD2-CG 4.31Å; F1570-K1574 HydrophobicContact CE2-CB 3.67Å; F1570-K1574 HydrophobicContact CE2-CG 4.07Å; F1570-K1574 HydrophobicContact CZ-CB 4.5Å; F1570-K1574 PolarHBondContact O-N 3.19Å; K1574-I1576 VanDerWaalsContact C-N 3.25Å; K1574-I1576 PolarHBondContact O-N 3.1Å; K1574-I1576 VanDerWaalsContact O-N 3.14Å; K1574-L1577 HydrophobicContact CB-CB 4.44Å; K1574-L1577 HydrophobicContact CB-CD1 4.46Å; K1574-L1577 PolarHBondContact O-N 3.14Å; K1574-L1577 VanDerWaalsContact O-N 3.16Å; K1574-F1578 PolarHBondContact O-N 2.73Å | ||
| 1575 | P | 93.4 | Very high | 92.1 | Very high | 20 Ų | 20 | 32.7 Ų | 32.7 | 13% | 0.13 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.7 | -31.6 | -172.9 | 23.6 | -35.6 | 0 | 0 | 0 | 113.8 | V1526 V1541 L1571 W1579 | V1526-P1575 HydrophobicContact CG1-CB 4.42Å; V1526-P1575 HydrophobicContact CG1-CG 4.07Å; V1526-P1575 HydrophobicContact CG2-CG 3.85Å; V1541-P1575 HydrophobicContact CG1-CB 4.49Å; L1571-P1575 VanDerWaalsContact O-CA 3.26Å; L1571-P1575 WeakPolarHBondContact O-CA 3.48Å; L1571-P1575 WeakPolarHBondContact O-CB 3.42Å; L1571-P1575 WeakPolarHBondContact O-CD 3.47Å; P1575-W1579 PolarHBondContact O-N 3.25Å; P1575-W1579 VanDerWaalsContact O-N 3.07Å |
| 1576 | I | 93.4 | Very high | 92.3 | Very high | 52 Ų | 52 | 33.1 Ų | 33.1 | 27% | 0.267 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -63.9 | -50 | 178.6 | -55.3 | 178.4 | 0 | 0 | 0 | 110.3 | V1526 V1541 P1542 L1544 K1574 N1580 | V1526-I1576 HydrophobicContact CG2-CD1 4.1Å; V1526-I1576 HydrophobicContact CG2-CG1 3.79Å; V1541-I1576 HydrophobicContact CB-CG1 4.23Å; V1541-I1576 HydrophobicContact CG1-CG1 4.27Å; P1542-I1576 HydrophobicContact CG-CD1 4.39Å; L1544-I1576 HydrophobicContact CD1-CG2 3.69Å; L1544-I1576 HydrophobicContact CD2-CG2 4.27Å; L1544-I1576 HydrophobicContact CG-CG2 4.04Å; K1574-I1576 VanDerWaalsContact C-N 3.25Å; K1574-I1576 PolarHBondContact O-N 3.1Å; K1574-I1576 VanDerWaalsContact O-N 3.14Å; I1576-N1580 WeakPolarHBondContact O-CB 3.2Å; I1576-N1580 PolarHBondContact O-N 2.87Å; I1576-N1580 PolarHBondContact O-ND2 2.86Å |
| 1577 | L | 94.2 | Very high | 92.5 | Very high | 15 Ų | 15 | 31 Ų | 31 | 8% | 0.079 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.1 | -46.8 | 177.4 | -68.5 | 177.2 | 0 | 0 | 0 | 110.6 | L1549 E1552 M1556 F1570 K1574 W1579 N1580 L1581 | L1549-L1577 HydrophobicContact CD1-CD2 3.72Å; E1552-L1577 HydrophobicContact CB-CD2 3.81Å; M1556-L1577 HydrophobicContact CE-CD1 4.34Å; M1556-L1577 HydrophobicContact SD-CD1 3.64Å; F1570-L1577 HydrophobicContact CZ-CB 4.15Å; K1574-L1577 HydrophobicContact CB-CB 4.44Å; K1574-L1577 HydrophobicContact CB-CD1 4.46Å; K1574-L1577 PolarHBondContact O-N 3.14Å; K1574-L1577 VanDerWaalsContact O-N 3.16Å; L1577-W1579 PolarHBondContact O-N 3.46Å; L1577-N1580 PolarHBondContact O-N 3.31Å; L1577-L1581 WeakPolarHBondContact O-CB 3.26Å; L1577-L1581 WeakPolarHBondContact O-CG 3.46Å; L1577-L1581 PolarHBondContact O-N 2.99Å |
| 1578 | F | 97 | Very high | 92.6 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -52.8 | -56.8 | -178.3 | -175.6 | -89.8 | 0 | 0 | 0 | 112.4 | F1570 L1571 K1574 N1580 L1581 V1582 F1594 F1597 I1598 | F1570-F1578 AromaticContact CD1-CD2 3.59Å; F1570-F1578 HydrophobicContact CD1-CD2 3.59Å; F1570-F1578 HydrophobicContact CD1-CE2 4.35Å; F1570-F1578 HydrophobicContact CE1-CB 4.27Å; F1570-F1578 AromaticContact CE1-CD2 3.92Å; F1570-F1578 HydrophobicContact CE1-CD2 3.92Å; F1570-F1578 HydrophobicContact CG-CD2 4.43Å; L1571-F1578 HydrophobicContact CB-CD1 4.07Å; L1571-F1578 HydrophobicContact CB-CD2 3.89Å; L1571-F1578 HydrophobicContact CB-CE1 4.14Å; L1571-F1578 HydrophobicContact CB-CE2 3.96Å; L1571-F1578 HydrophobicContact CB-CG 3.96Å; L1571-F1578 HydrophobicContact CB-CZ 4.09Å; L1571-F1578 HydrophobicContact CD1-CD1 4.03Å; L1571-F1578 HydrophobicContact CD1-CE1 3.54Å; L1571-F1578 HydrophobicContact CD1-CZ 3.85Å; L1571-F1578 HydrophobicContact CG-CD1 3.82Å; L1571-F1578 HydrophobicContact CG-CE1 3.87Å; L1571-F1578 HydrophobicContact CG-CG 4.19Å; L1571-F1578 HydrophobicContact CG-CZ 4.26Å; K1574-F1578 PolarHBondContact O-N 2.73Å; F1578-N1580 PolarHBondContact O-N 3.07Å; F1578-L1581 PolarHBondContact O-N 2.8Å; F1578-V1582 HydrophobicContact CD1-CG2 4.19Å; F1578-V1582 HydrophobicContact CE1-CG2 3.8Å; F1578-V1582 HydrophobicContact CZ-CG2 4.03Å; F1578-V1582 WeakPolarHBondContact O-CG2 3.18Å; F1578-V1582 PolarHBondContact O-N 2.98Å; F1578-F1594 HydrophobicContact CD2-CG 4.45Å; F1578-F1594 HydrophobicContact CE2-CB 3.78Å; F1578-F1594 HydrophobicContact CE2-CD1 4.12Å; F1578-F1594 HydrophobicContact CE2-CD2 4.44Å; F1578-F1594 AromaticContact CE2-CG 3.88Å; F1578-F1594 HydrophobicContact CE2-CG 3.88Å; F1578-F1594 HydrophobicContact CZ-CB 3.91Å; F1578-F1594 HydrophobicContact CZ-CG 4.47Å; F1578-F1597 HydrophobicContact CE2-CB 4.37Å; F1578-F1597 HydrophobicContact CE2-CD2 4.25Å; F1578-F1597 HydrophobicContact CZ-CB 4.46Å; F1578-I1598 HydrophobicContact CE1-CD1 4.12Å; F1578-I1598 HydrophobicContact CE1-CG1 3.84Å; F1578-I1598 HydrophobicContact CZ-CD1 4.25Å; F1578-I1598 HydrophobicContact CZ-CG1 3.75Å |
| 1579 | W | 97.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -68.8 | -37.7 | -174.8 | -71.8 | 119.2 | 0 | 0 | 0 | 113.1 | V1365 L1367 L1411 A1413 L1415 F1539 V1541 L1571 P1575 L1577 L1581 V1582 Y1583 I1598 | V1365-W1579 HydrophobicContact CG1-CH2 4.2Å; V1365-W1579 HydrophobicContact CG1-CZ3 3.78Å; L1367-W1579 HydrophobicContact CD2-CE3 3.83Å; L1367-W1579 HydrophobicContact CD2-CZ3 4.13Å; L1411-W1579 VanDerWaalsContact CD2-C 3.49Å; L1411-W1579 HydrophobicContact CD2-CB 3.9Å; L1411-W1579 WeakPolarHBondContact CD2-O 3.27Å; A1413-W1579 HydrophobicContact CB-CD2 3.56Å; A1413-W1579 HydrophobicContact CB-CE3 3.57Å; A1413-W1579 HydrophobicContact CB-CG 4.15Å; A1413-W1579 HydrophobicContact CB-CH2 4.14Å; A1413-W1579 HydrophobicContact CB-CZ2 4.12Å; A1413-W1579 HydrophobicContact CB-CZ3 3.87Å; L1415-W1579 HydrophobicContact CD1-CH2 3.57Å; L1415-W1579 HydrophobicContact CD1-CZ2 3.72Å; L1415-W1579 HydrophobicContact CD2-CH2 4.45Å; L1415-W1579 HydrophobicContact CG-CH2 4.27Å; F1539-W1579 AromaticContact CD1-NE1 3.86Å; F1539-W1579 AromaticContact CD2-CE2 3.79Å; F1539-W1579 AromaticContact CD2-CZ2 3.62Å; F1539-W1579 HydrophobicContact CD2-CZ2 3.62Å; F1539-W1579 AromaticContact CD2-NE1 3.59Å; F1539-W1579 AromaticContact CE2-CZ2 3.79Å; F1539-W1579 HydrophobicContact CE2-CZ2 3.79Å; F1539-W1579 HydrophobicContact CG-CZ2 4.37Å; F1539-W1579 AromaticContact CG-NE1 3.42Å; V1541-W1579 HydrophobicContact CG2-CB 4.03Å; L1571-W1579 HydrophobicContact CD1-CH2 4.45Å; L1571-W1579 HydrophobicContact CD1-CZ2 4.01Å; L1571-W1579 HydrophobicContact CG-CZ2 4.47Å; P1575-W1579 PolarHBondContact O-N 3.25Å; P1575-W1579 VanDerWaalsContact O-N 3.07Å; L1577-W1579 PolarHBondContact O-N 3.46Å; W1579-L1581 VanDerWaalsContact C-N 3.34Å; W1579-V1582 PolarHBondContact O-N 3.11Å; W1579-Y1583 WeakPolarHBondContact O-CB 2.95Å; W1579-Y1583 PolarHBondContact O-N 3.41Å; W1579-I1598 HydrophobicContact CH2-CD1 4.07Å; W1579-I1598 HydrophobicContact CH2-CG1 4.18Å; W1579-I1598 HydrophobicContact CZ3-CD1 3.89Å; W1579-I1598 HydrophobicContact CZ3-CG1 4.45Å |
| 1580 | N | 97 | Very high | 92.8 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.3 | -41.1 | 175.2 | -81.6 | -85.6 | 0 | 0 | 0 | 111.4 | P1542 F1543 L1544 L1549 I1576 L1577 F1578 Y1583 V1584 | P1542-N1580 PolarHBondContact O-ND2 3.19Å; F1543-N1580 WeakPolarHBondContact CD2-OD1 3.26Å; L1544-N1580 PolarHBondContact N-OD1 3.36Å; L1549-N1580 HydrophobicContact CD1-CB 3.82Å; L1549-N1580 HydrophobicContact CD2-CB 3.87Å; I1576-N1580 WeakPolarHBondContact O-CB 3.2Å; I1576-N1580 PolarHBondContact O-N 2.87Å; I1576-N1580 PolarHBondContact O-ND2 2.86Å; L1577-N1580 PolarHBondContact O-N 3.31Å; F1578-N1580 PolarHBondContact O-N 3.07Å; N1580-Y1583 PolarHBondContact O-N 2.94Å; N1580-V1584 VanDerWaalsContact O-CG2 3.29Å; N1580-V1584 WeakPolarHBondContact O-CG2 3.39Å; N1580-V1584 PolarHBondContact O-N 2.9Å |
| 1581 | L | 97.4 | Very high | 92.7 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66.2 | -45.3 | 176.7 | -68 | 169.8 | 0 | 0 | 0 | 112.2 | L788 L1549 L1553 F1570 L1577 F1578 W1579 Y1583 V1584 F1585 F1594 | L788-L1581 HydrophobicContact CB-CD2 4.5Å; L788-L1581 HydrophobicContact CD2-CD2 4.1Å; L1549-L1581 HydrophobicContact CD1-CD2 4.46Å; L1549-L1581 HydrophobicContact CD2-CD2 4.37Å; L1549-L1581 HydrophobicContact CG-CD2 4.44Å; L1553-L1581 HydrophobicContact CD1-CD1 4.12Å; L1553-L1581 HydrophobicContact CD2-CD2 3.99Å; F1570-L1581 HydrophobicContact CE1-CD1 4.4Å; F1570-L1581 HydrophobicContact CZ-CD1 4.38Å; L1577-L1581 WeakPolarHBondContact O-CB 3.26Å; L1577-L1581 WeakPolarHBondContact O-CG 3.46Å; L1577-L1581 PolarHBondContact O-N 2.99Å; F1578-L1581 PolarHBondContact O-N 2.8Å; W1579-L1581 VanDerWaalsContact C-N 3.34Å; L1581-Y1583 VanDerWaalsContact C-N 3.29Å; L1581-Y1583 PolarHBondContact O-N 2.96Å; L1581-V1584 PolarHBondContact O-N 3.01Å; L1581-F1585 HydrophobicContact CB-CE2 4.03Å; L1581-F1585 HydrophobicContact CB-CZ 4.16Å; L1581-F1585 HydrophobicContact CD2-CE1 4.3Å; L1581-F1585 HydrophobicContact CD2-CZ 3.91Å; L1581-F1585 WeakPolarHBondContact O-CB 3.41Å; L1581-F1585 WeakPolarHBondContact O-CD2 3.39Å; L1581-F1585 WeakPolarHBondContact O-CG 3.38Å; L1581-F1585 PolarHBondContact O-N 3.33Å; L1581-F1594 HydrophobicContact CB-CE2 3.99Å; L1581-F1594 HydrophobicContact CD1-CE2 4Å; L1581-F1594 HydrophobicContact CD1-CZ 4.41Å |
| 1582 | V | 96 | Very high | 92.7 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.006 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58.2 | -44.1 | 176.1 | 175.2 | 0 | 0 | 0 | 0 | 110.6 | L1367 F1578 W1579 Q1586 F1594 I1595 I1598 V1627 | L1367-V1582 HydrophobicContact CD1-CG1 4.02Å; F1578-V1582 HydrophobicContact CD1-CG2 4.19Å; F1578-V1582 HydrophobicContact CE1-CG2 3.8Å; F1578-V1582 HydrophobicContact CZ-CG2 4.03Å; F1578-V1582 WeakPolarHBondContact O-CG2 3.18Å; F1578-V1582 PolarHBondContact O-N 2.98Å; W1579-V1582 PolarHBondContact O-N 3.11Å; V1582-Q1586 VanDerWaalsContact O-CB 3.27Å; V1582-Q1586 WeakPolarHBondContact O-CB 3.47Å; V1582-Q1586 PolarHBondContact O-N 3.44Å; V1582-F1594 HydrophobicContact CG2-CB 3.93Å; V1582-F1594 HydrophobicContact CG2-CD2 4.05Å; V1582-F1594 HydrophobicContact CG2-CG 4.47Å; V1582-I1595 HydrophobicContact CG1-CD1 4.42Å; V1582-I1598 HydrophobicContact CG1-CD1 4.45Å; V1582-V1627 HydrophobicContact CG1-CG1 4.16Å |
| 1583 | Y | 96.2 | Very high | 92.7 | Very high | 7 Ų | 7 | 17.2 Ų | 17.2 | 3% | 0.027 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -58.4 | -50.6 | 175.7 | 174.6 | -95.8 | 0 | 0 | 0 | 112 | L1367 T1369 L1411 F1543 W1579 N1580 L1581 Q1586 R1587 C1629 | L1367-Y1583 HydrophobicContact CB-CD2 4.26Å; L1367-Y1583 HydrophobicContact CD1-CD2 4.45Å; T1369-Y1583 HydrophobicContact CG2-CD1 4.47Å; T1369-Y1583 HydrophobicContact CG2-CD2 3.99Å; T1369-Y1583 HydrophobicContact CG2-CE1 4.05Å; T1369-Y1583 HydrophobicContact CG2-CE2 3.51Å; T1369-Y1583 HydrophobicContact CG2-CG 4.43Å; T1369-Y1583 PolarHBondContact OG1-OH 3.1Å; L1411-Y1583 HydrophobicContact CD1-CD2 4.16Å; L1411-Y1583 HydrophobicContact CD1-CG 4.41Å; F1543-Y1583 AromaticContact CE2-CD1 3.83Å; F1543-Y1583 HydrophobicContact CE2-CD1 3.83Å; F1543-Y1583 AromaticContact CE2-CE1 3.65Å; F1543-Y1583 HydrophobicContact CE2-CE1 3.65Å; F1543-Y1583 HydrophobicContact CZ-CD1 4.37Å; F1543-Y1583 AromaticContact CZ-CE1 3.72Å; F1543-Y1583 HydrophobicContact CZ-CE1 3.72Å; W1579-Y1583 WeakPolarHBondContact O-CB 2.95Å; W1579-Y1583 PolarHBondContact O-N 3.41Å; N1580-Y1583 PolarHBondContact O-N 2.94Å; L1581-Y1583 VanDerWaalsContact C-N 3.29Å; L1581-Y1583 PolarHBondContact O-N 2.96Å; Y1583-Q1586 PolarHBondContact O-N 3.21Å; Y1583-R1587 HydrophobicContact CD1-CG 4.37Å; Y1583-R1587 HydrophobicContact CD2-CG 4.46Å; Y1583-R1587 HydrophobicContact CE1-CG 4Å; Y1583-R1587 HydrophobicContact CE2-CG 4.1Å; Y1583-R1587 WeakPolarHBondContact O-CG 3.41Å; Y1583-R1587 PolarHBondContact O-N 2.82Å; Y1583-R1587 PolarHBondContact OH-NH1 2.87Å; Y1583-C1629 HydrophobicContact CE2-CB 4.36Å |
| 1584 | V | 95.4 | Very high | 93 | Very high | 6 Ų | 6 | 10.5 Ų | 10.5 | 4% | 0.036 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -62.1 | -47.1 | -178.9 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | A785 L788 L1546 L1549 N1580 L1581 Q1586 R1587 L1588 | A785-V1584 HydrophobicContact CB-CG1 3.67Å; L788-V1584 HydrophobicContact CD1-CG1 4.34Å; L1546-V1584 HydrophobicContact CD2-CG2 3.5Å; L1546-V1584 VanDerWaalsContact CD2-CG2 3.5Å; L1549-V1584 HydrophobicContact CD2-CG2 4.18Å; N1580-V1584 VanDerWaalsContact O-CG2 3.29Å; N1580-V1584 WeakPolarHBondContact O-CG2 3.39Å; N1580-V1584 PolarHBondContact O-N 2.9Å; L1581-V1584 PolarHBondContact O-N 3.01Å; V1584-Q1586 VanDerWaalsContact C-N 3.31Å; V1584-Q1586 PolarHBondContact O-N 3.35Å; V1584-R1587 PolarHBondContact O-N 3.44Å; V1584-L1588 HydrophobicContact CG1-CD1 4.28Å; V1584-L1588 WeakPolarHBondContact O-CG 3.4Å; V1584-L1588 PolarHBondContact O-N 2.84Å |
| 1585 | F | 94.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -65.1 | -37.1 | -178.7 | -59.9 | -16.9 | 0 | 0 | 0 | 111.9 | L788 W789 H792 L1581 L1588 G1589 A1590 T1592 F1594 | L788-F1585 HydrophobicContact CB-CE1 4.25Å; W789-F1585 VanDerWaalsContact CA-CE1 3.46Å; W789-F1585 HydrophobicContact CB-CD1 4.02Å; W789-F1585 HydrophobicContact CB-CE1 3.78Å; W789-F1585 AromaticContact CD1-CD1 3.82Å; W789-F1585 HydrophobicContact CG-CD1 4.35Å; W789-F1585 HydrophobicContact CG-CE1 4.35Å; H792-F1585 HydrophobicContact CB-CE2 3.99Å; H792-F1585 HydrophobicContact CB-CZ 3.67Å; H792-F1585 AromaticContact CD2-CE2 3.96Å; H792-F1585 AromaticContact CG-CE2 3.67Å; H792-F1585 AromaticContact CG-CZ 3.89Å; H792-F1585 AromaticContact ND1-CE2 3.82Å; L1581-F1585 HydrophobicContact CB-CE2 4.03Å; L1581-F1585 HydrophobicContact CB-CZ 4.16Å; L1581-F1585 HydrophobicContact CD2-CE1 4.3Å; L1581-F1585 HydrophobicContact CD2-CZ 3.91Å; L1581-F1585 WeakPolarHBondContact O-CB 3.41Å; L1581-F1585 WeakPolarHBondContact O-CD2 3.39Å; L1581-F1585 WeakPolarHBondContact O-CG 3.38Å; L1581-F1585 PolarHBondContact O-N 3.33Å; F1585-L1588 CarbonylContact O-C 3.54Å; F1585-L1588 PolarHBondContact O-N 3.02Å; F1585-G1589 PolarHBondContact O-N 2.92Å; F1585-A1590 PolarHBondContact O-N 2.85Å; F1585-T1592 HydrophobicContact CB-CG2 4.42Å; F1585-T1592 HydrophobicContact CD2-CG2 4.13Å; F1585-F1594 HydrophobicContact CD2-CD2 4.43Å; F1585-F1594 HydrophobicContact CE2-CD2 4.22Å; F1585-F1594 AromaticContact CE2-CE2 3.86Å; F1585-F1594 HydrophobicContact CE2-CE2 3.86Å |
| 1586 | Q | 91.5 | Very high | 92.6 | Very high | 8 Ų | 8 | 7.2 Ų | 7.2 | 4% | 0.037 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -67 | -40.8 | 174.4 | -165.7 | 66.2 | 7.1 | 0 | 0 | 111.8 | Y1427 V1582 Y1583 V1584 L1588 G1589 V1627 | Y1427-Q1586 HydrophobicContact CD1-CG 3.8Å; Y1427-Q1586 HydrophobicContact CE1-CG 3.73Å; V1582-Q1586 VanDerWaalsContact O-CB 3.27Å; V1582-Q1586 WeakPolarHBondContact O-CB 3.47Å; V1582-Q1586 PolarHBondContact O-N 3.44Å; Y1583-Q1586 PolarHBondContact O-N 3.21Å; V1584-Q1586 VanDerWaalsContact C-N 3.31Å; V1584-Q1586 PolarHBondContact O-N 3.35Å; Q1586-L1588 PolarHBondContact O-N 2.75Å; Q1586-G1589 PolarHBondContact O-N 2.83Å; Q1586-G1589 VanDerWaalsContact O-N 3.1Å; Q1586-V1627 HydrophobicContact CG-CB 4.39Å; Q1586-V1627 HydrophobicContact CG-CG1 4.11Å; Q1586-V1627 PolarHBondContact NE2-O 2.84Å |
| 1587 | R | 92.1 | Very high | 92.5 | Very high | 5 Ų | 5 | 5.3 Ų | 5.3 | 2% | 0.019 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -66.4 | -23.9 | 173.9 | -70.7 | -63.3 | -65 | -93.4 | 4.7 | 113.5 | D1382 Y1583 V1584 F1746 I1747 L1749 | D1382-R1587 IonicContact OD2-CZ 2.82Å; D1382-R1587 IonicContact OD2-NH1 3.68Å; D1382-R1587 PolarHBondContact OD2-NH1 3.25Å; D1382-R1587 IonicContact OD2-NH2 2.77Å; D1382-R1587 PolarHBondContact OD2-NH2 3.49Å; Y1583-R1587 HydrophobicContact CD1-CG 4.37Å; Y1583-R1587 HydrophobicContact CD2-CG 4.46Å; Y1583-R1587 HydrophobicContact CE1-CG 4Å; Y1583-R1587 HydrophobicContact CE2-CG 4.1Å; Y1583-R1587 WeakPolarHBondContact O-CG 3.41Å; Y1583-R1587 PolarHBondContact O-N 2.82Å; Y1583-R1587 PolarHBondContact OH-NH1 2.87Å; V1584-R1587 PolarHBondContact O-N 3.44Å; R1587-F1746 HydrophobicContact CB-CB 4.37Å; R1587-F1746 HydrophobicContact CB-CD1 4.21Å; R1587-I1747 PolarHBondContact NE-O 3.06Å; R1587-I1747 PolarHBondContact NH2-O 3.27Å; R1587-I1747 WeakPolarHBondContact O-CB 3.46Å; R1587-I1747 WeakPolarHBondContact O-CG1 3.2Å; R1587-I1747 PolarHBondContact O-N 3.23Å; R1587-L1749 VanDerWaalsContact NH1-CD2 3.3Å |
| 1588 | L | 89.3 | Confident | 92.4 | Very high | 4 Ų | 4 | 4.6 Ų | 4.6 | 2% | 0.021 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -87.9 | -11 | 171.4 | -71.7 | -179.8 | 0 | 0 | 0 | 114.1 | L782 A785 Y786 W789 M1342 V1584 F1585 Q1586 A1590 F1746 | L782-L1588 HydrophobicContact CD1-CD2 3.71Å; A785-L1588 HydrophobicContact CB-CD1 3.87Å; A785-L1588 HydrophobicContact CB-CD2 4Å; A785-L1588 HydrophobicContact CB-CG 4.12Å; A785-L1588 WeakPolarHBondContact O-CD1 3.4Å; Y786-L1588 HydrophobicContact CD1-CD1 4.14Å; Y786-L1588 HydrophobicContact CD1-CD2 4.27Å; Y786-L1588 HydrophobicContact CE1-CD1 4.46Å; Y786-L1588 HydrophobicContact CE1-CD2 3.99Å; Y786-L1588 HydrophobicContact CE2-CD2 4.4Å; W789-L1588 HydrophobicContact CB-CD1 4.45Å; M1342-L1588 WeakPolarHBondContact CE-O 3.28Å; V1584-L1588 HydrophobicContact CG1-CD1 4.28Å; V1584-L1588 WeakPolarHBondContact O-CG 3.4Å; V1584-L1588 PolarHBondContact O-N 2.84Å; F1585-L1588 CarbonylContact O-C 3.54Å; F1585-L1588 PolarHBondContact O-N 3.02Å; Q1586-L1588 PolarHBondContact O-N 2.75Å; L1588-A1590 HydrophobicContact CB-CB 4.07Å; L1588-A1590 PolarHBondContact O-N 3.48Å; L1588-F1746 HydrophobicContact CD2-CD1 4.23Å; L1588-F1746 HydrophobicContact CD2-CE1 4.12Å |
| 1589 | G | 86.4 | Confident | 92 | Very high | 2 Ų | 2 | 4.7 Ų | 4.7 | 2% | 0.021 | 3% | 0.027 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 39.7 | -169.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F1585 Q1586 | F1585-G1589 PolarHBondContact O-N 2.92Å; Q1586-G1589 PolarHBondContact O-N 2.83Å; Q1586-G1589 VanDerWaalsContact O-N 3.1Å |
| 1590 | A | 89 | Confident | 91.6 | Very high | 3 Ų | 3 | 8.1 Ų | 8.1 | 3% | 0.025 | 4% | 0.042 | C | C | . | . | trans | -103.1 | 139.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | W789 I813 F1585 L1588 | W789-A1590 VanDerWaalsContact CD1-CB 3.42Å; W789-A1590 HydrophobicContact CD2-CB 4.16Å; W789-A1590 HydrophobicContact CG-CB 3.86Å; I813-A1590 HydrophobicContact CD1-CB 4.1Å; F1585-A1590 PolarHBondContact O-N 2.85Å; L1588-A1590 HydrophobicContact CB-CB 4.07Å; L1588-A1590 PolarHBondContact O-N 3.48Å | ||
| 1591 | P | 88.2 | Confident | 91.4 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 4% | 0.044 | C | C | . | . | trans | -71.4 | 151.3 | -175.6 | 30.9 | -35.2 | 0 | 0 | 0 | 111.6 | W789 F796 | W789-P1591 HydrophobicContact CZ2-CG 4.06Å; W789-P1591 PolarHBondContact NE1-O 3.31Å; F796-P1591 HydrophobicContact CE1-CB 4.36Å; F796-P1591 HydrophobicContact CE1-CG 4.05Å; F796-P1591 HydrophobicContact CE2-CB 4.38Å; F796-P1591 HydrophobicContact CZ-CB 3.79Å; F796-P1591 HydrophobicContact CZ-CG 3.99Å | ||
| 1592 | T | 90.6 | Very high | 91 | Very high | 3 Ų | 3 | 9.5 Ų | 9.5 | 2% | 0.018 | 5% | 0.047 | C | C | . | . | trans | -158 | 141.9 | 178.7 | 179.9 | 0 | 0 | 0 | 0 | 112.2 | H792 N1349 F1585 F1594 I1595 | H792-T1592 PolarHBondContact CE1-OG1 2.98Å; H792-T1592 PolarHBondContact NE2-OG1 3.28Å; N1349-T1592 PolarHBondContact OD1-N 3.15Å; N1349-T1592 PolarHBondContact OD1-O 3.37Å; F1585-T1592 HydrophobicContact CB-CG2 4.42Å; F1585-T1592 HydrophobicContact CD2-CG2 4.13Å; T1592-F1594 HydrophobicContact CG2-CB 4.33Å; T1592-F1594 PolarHBondContact O-N 2.94Å; T1592-F1594 WeakPolarHBondContact OG1-CD2 3.22Å; T1592-F1594 WeakPolarHBondContact OG1-CG 3.21Å; T1592-F1594 PolarHBondContact OG1-N 3.49Å; T1592-I1595 HydrophobicContact CG2-CD1 4.25Å; T1592-I1595 HydrophobicContact CG2-CG1 4.08Å | ||
| 1593 | H | 90.1 | Very high | 90.6 | Very high | 1 Ų | 1 | 10.9 Ų | 10.9 | 1% | 0.005 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -11.8 | 176.4 | 64.2 | -70.5 | 0 | 0 | 0 | 113.6 | H792 F796 S799 V1352 L1565 I1595 S1596 F1597 | H792-H1593 AromaticContact CD2-CE1 3.8Å; H792-H1593 AromaticContact CE1-CE1 3.82Å; H792-H1593 AromaticContact CE1-ND1 3.5Å; H792-H1593 PolarHBondContact CE1-ND1 3.33Å; H792-H1593 AromaticContact NE2-CE1 3.01Å; H792-H1593 PolarHBondContact NE2-CE1 2.68Å; H792-H1593 AromaticContact NE2-ND1 3.09Å; H792-H1593 PolarHBondContact NE2-ND1 3.23Å; F796-H1593 HydrophobicContact CD2-CB 4.22Å; F796-H1593 AromaticContact CD2-ND1 3.89Å; S799-H1593 WeakPolarHBondContact OG-CB 3.31Å; V1352-H1593 HydrophobicContact CG2-CB 4.32Å; L1565-H1593 PolarHBondContact O-NE2 3.18Å; H1593-I1595 PolarHBondContact O-N 3.34Å; H1593-I1595 VanDerWaalsContact O-N 3.11Å; H1593-S1596 WeakPolarHBondContact O-CB 3.41Å; H1593-S1596 PolarHBondContact O-N 2.93Å; H1593-S1596 PolarHBondContact O-OG 3.23Å; H1593-F1597 AromaticContact CD2-CE2 3.86Å; H1593-F1597 AromaticContact CD2-CZ 3.45Å; H1593-F1597 VanDerWaalsContact CD2-CZ 3.45Å; H1593-F1597 WeakPolarHBondContact CD2-CZ 3.35Å; H1593-F1597 AromaticContact NE2-CE2 3.98Å; H1593-F1597 AromaticContact NE2-CZ 3.87Å |
| 1594 | F | 93.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -58 | -25.5 | 177.2 | -65.3 | -19.1 | 0 | 0 | 0 | 113.3 | H792 L1565 F1570 F1578 L1581 V1582 F1585 T1592 S1596 F1597 I1598 | H792-F1594 AromaticContact CD2-CE1 3.87Å; H792-F1594 AromaticContact CD2-CE2 3.7Å; H792-F1594 AromaticContact CD2-CZ 3.32Å; H792-F1594 WeakPolarHBondContact CD2-CZ 3.42Å; H792-F1594 AromaticContact NE2-CE1 3.7Å; H792-F1594 AromaticContact NE2-CE2 3.82Å; H792-F1594 AromaticContact NE2-CZ 3.55Å; L1565-F1594 HydrophobicContact CD2-CZ 4.19Å; F1570-F1594 AromaticContact CD1-CE1 3.86Å; F1570-F1594 HydrophobicContact CD1-CE1 3.86Å; F1570-F1594 HydrophobicContact CD1-CZ 4.02Å; F1570-F1594 HydrophobicContact CE1-CE1 4.01Å; F1570-F1594 HydrophobicContact CE1-CE2 4.23Å; F1570-F1594 AromaticContact CE1-CZ 3.66Å; F1570-F1594 HydrophobicContact CE1-CZ 3.66Å; F1578-F1594 HydrophobicContact CD2-CG 4.45Å; F1578-F1594 HydrophobicContact CE2-CB 3.78Å; F1578-F1594 HydrophobicContact CE2-CD1 4.12Å; F1578-F1594 HydrophobicContact CE2-CD2 4.44Å; F1578-F1594 AromaticContact CE2-CG 3.88Å; F1578-F1594 HydrophobicContact CE2-CG 3.88Å; F1578-F1594 HydrophobicContact CZ-CB 3.91Å; F1578-F1594 HydrophobicContact CZ-CG 4.47Å; L1581-F1594 HydrophobicContact CB-CE2 3.99Å; L1581-F1594 HydrophobicContact CD1-CE2 4Å; L1581-F1594 HydrophobicContact CD1-CZ 4.41Å; V1582-F1594 HydrophobicContact CG2-CB 3.93Å; V1582-F1594 HydrophobicContact CG2-CD2 4.05Å; V1582-F1594 HydrophobicContact CG2-CG 4.47Å; F1585-F1594 HydrophobicContact CD2-CD2 4.43Å; F1585-F1594 HydrophobicContact CE2-CD2 4.22Å; F1585-F1594 AromaticContact CE2-CE2 3.86Å; F1585-F1594 HydrophobicContact CE2-CE2 3.86Å; T1592-F1594 HydrophobicContact CG2-CB 4.33Å; T1592-F1594 PolarHBondContact O-N 2.94Å; T1592-F1594 WeakPolarHBondContact OG1-CD2 3.22Å; T1592-F1594 WeakPolarHBondContact OG1-CG 3.21Å; T1592-F1594 PolarHBondContact OG1-N 3.49Å; F1594-S1596 VanDerWaalsContact C-N 3.25Å; F1594-S1596 PolarHBondContact O-N 2.56Å; F1594-F1597 HydrophobicContact CD1-CD2 4.08Å; F1594-F1597 HydrophobicContact CD1-CE2 4.11Å; F1594-F1597 HydrophobicContact CE1-CE2 4.47Å; F1594-F1597 WeakPolarHBondContact O-CB 3.28Å; F1594-F1597 PolarHBondContact O-N 3.39Å; F1594-F1597 VanDerWaalsContact O-N 3.16Å; F1594-I1598 WeakPolarHBondContact O-CG1 2.84Å; F1594-I1598 PolarHBondContact O-N 2.89Å |
| 1595 | I | 89.7 | Confident | 89.9 | Confident | 17 Ų | 17 | 20.1 Ų | 20.1 | 9% | 0.087 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.4 | -38.1 | 175.4 | -54.6 | -47.8 | 0 | 0 | 0 | 111.3 | V1582 T1592 H1593 F1597 I1598 G1599 V1625 V1627 | V1582-I1595 HydrophobicContact CG1-CD1 4.42Å; T1592-I1595 HydrophobicContact CG2-CD1 4.25Å; T1592-I1595 HydrophobicContact CG2-CG1 4.08Å; H1593-I1595 PolarHBondContact O-N 3.34Å; H1593-I1595 VanDerWaalsContact O-N 3.11Å; I1595-F1597 VanDerWaalsContact C-N 3.33Å; I1595-F1597 PolarHBondContact O-N 3.07Å; I1595-I1598 HydrophobicContact CD1-CD1 4.38Å; I1595-I1598 WeakPolarHBondContact O-CB 3.33Å; I1595-I1598 PolarHBondContact O-N 2.9Å; I1595-G1599 PolarHBondContact O-N 3.21Å; I1595-V1625 HydrophobicContact CG2-CB 3.82Å; I1595-V1625 HydrophobicContact CG2-CG1 4.21Å; I1595-V1627 HydrophobicContact CD1-CG2 3.5Å |
| 1596 | S | 85.3 | Confident | 89.6 | Confident | 26 Ų | 26 | 21.4 Ų | 21.4 | 18% | 0.182 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.5 | -35.9 | 177.3 | 74.5 | 0 | 0 | 0 | 0 | 112.2 | H1593 F1594 I1598 G1599 K1600 | H1593-S1596 WeakPolarHBondContact O-CB 3.41Å; H1593-S1596 PolarHBondContact O-N 2.93Å; H1593-S1596 PolarHBondContact O-OG 3.23Å; F1594-S1596 VanDerWaalsContact C-N 3.25Å; F1594-S1596 PolarHBondContact O-N 2.56Å; S1596-I1598 VanDerWaalsContact C-N 3.29Å; S1596-I1598 PolarHBondContact O-N 3.47Å; S1596-G1599 PolarHBondContact O-N 2.9Å; S1596-K1600 WeakPolarHBondContact O-CG 3.3Å; S1596-K1600 PolarHBondContact O-N 3.23Å |
| 1597 | F | 91.4 | Very high | 89 | Confident | 12 Ų | 12 | 25.4 Ų | 25.4 | 5% | 0.053 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.2 | -35.8 | 177.2 | -62.8 | -6.6 | 0 | 0 | 0 | 111.1 | V1566 D1567 E1568 F1578 H1593 F1594 I1595 K1600 F1601 | V1566-F1597 VanDerWaalsContact O-CZ 3.23Å; V1566-F1597 WeakPolarHBondContact O-CZ 3.34Å; D1567-F1597 WeakPolarHBondContact O-CE2 3.28Å; E1568-F1597 HydrophobicContact CG-CD1 4.29Å; E1568-F1597 HydrophobicContact CG-CE1 4.01Å; F1578-F1597 HydrophobicContact CE2-CB 4.37Å; F1578-F1597 HydrophobicContact CE2-CD2 4.25Å; F1578-F1597 HydrophobicContact CZ-CB 4.46Å; H1593-F1597 AromaticContact CD2-CE2 3.86Å; H1593-F1597 AromaticContact CD2-CZ 3.45Å; H1593-F1597 VanDerWaalsContact CD2-CZ 3.45Å; H1593-F1597 WeakPolarHBondContact CD2-CZ 3.35Å; H1593-F1597 AromaticContact NE2-CE2 3.98Å; H1593-F1597 AromaticContact NE2-CZ 3.87Å; F1594-F1597 HydrophobicContact CD1-CD2 4.08Å; F1594-F1597 HydrophobicContact CD1-CE2 4.11Å; F1594-F1597 HydrophobicContact CE1-CE2 4.47Å; F1594-F1597 WeakPolarHBondContact O-CB 3.28Å; F1594-F1597 PolarHBondContact O-N 3.39Å; F1594-F1597 VanDerWaalsContact O-N 3.16Å; I1595-F1597 VanDerWaalsContact C-N 3.33Å; I1595-F1597 PolarHBondContact O-N 3.07Å; F1597-K1600 PolarHBondContact O-N 2.83Å; F1597-F1601 WeakPolarHBondContact O-CB 3.49Å; F1597-F1601 PolarHBondContact O-N 3.18Å |
| 1598 | I | 92.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.1 | -44.6 | 174.3 | -60.3 | 170 | 0 | 0 | 0 | 110.5 | V1365 L1415 L1571 F1578 W1579 V1582 F1594 I1595 S1596 F1601 Y1602 V1625 | V1365-I1598 HydrophobicContact CG2-CD1 4.25Å; V1365-I1598 HydrophobicContact CG2-CG2 3.72Å; L1415-I1598 HydrophobicContact CD2-CG2 3.83Å; L1415-I1598 HydrophobicContact CG-CG2 4.27Å; L1571-I1598 HydrophobicContact CD1-CG1 4.36Å; F1578-I1598 HydrophobicContact CE1-CD1 4.12Å; F1578-I1598 HydrophobicContact CE1-CG1 3.84Å; F1578-I1598 HydrophobicContact CZ-CD1 4.25Å; F1578-I1598 HydrophobicContact CZ-CG1 3.75Å; W1579-I1598 HydrophobicContact CH2-CD1 4.07Å; W1579-I1598 HydrophobicContact CH2-CG1 4.18Å; W1579-I1598 HydrophobicContact CZ3-CD1 3.89Å; W1579-I1598 HydrophobicContact CZ3-CG1 4.45Å; V1582-I1598 HydrophobicContact CG1-CD1 4.45Å; F1594-I1598 WeakPolarHBondContact O-CG1 2.84Å; F1594-I1598 PolarHBondContact O-N 2.89Å; I1595-I1598 HydrophobicContact CD1-CD1 4.38Å; I1595-I1598 WeakPolarHBondContact O-CB 3.33Å; I1595-I1598 PolarHBondContact O-N 2.9Å; S1596-I1598 VanDerWaalsContact C-N 3.29Å; S1596-I1598 PolarHBondContact O-N 3.47Å; I1598-F1601 PolarHBondContact O-N 3.39Å; I1598-Y1602 WeakPolarHBondContact O-CB 3.4Å; I1598-Y1602 PolarHBondContact O-N 2.83Å; I1598-V1625 HydrophobicContact CB-CG1 4.42Å; I1598-V1625 HydrophobicContact CB-CG2 4.47Å; I1598-V1625 HydrophobicContact CG2-CG1 4.04Å; I1598-V1625 HydrophobicContact CG2-CG2 4.3Å |
| 1599 | G | 89.2 | Confident | 86.8 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.6 | -46.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | I1595 S1596 Y1602 A1603 P1623 | I1595-G1599 PolarHBondContact O-N 3.21Å; S1596-G1599 PolarHBondContact O-N 2.9Å; G1599-Y1602 PolarHBondContact O-N 3.12Å; G1599-A1603 PolarHBondContact O-N 3.12Å; G1599-P1623 WeakPolarHBondContact O-CD 3.41Å |
| 1600 | K | 89.3 | Confident | 85.3 | Confident | 73 Ų | 73 | 46.3 Ų | 46.3 | 32% | 0.317 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.9 | -45.1 | 176.1 | -70 | 178 | 178.3 | 177.9 | 0 | 112.4 | E1568 S1596 F1597 Y1602 A1603 K1604 V1622 | E1568-K1600 IonicContact OE1-NZ 2.79Å; E1568-K1600 PolarHBondContact OE1-NZ 3.38Å; E1568-K1600 IonicContact OE2-NZ 3.78Å; S1596-K1600 WeakPolarHBondContact O-CG 3.3Å; S1596-K1600 PolarHBondContact O-N 3.23Å; F1597-K1600 PolarHBondContact O-N 2.83Å; K1600-Y1602 VanDerWaalsContact C-N 3.3Å; K1600-Y1602 PolarHBondContact O-N 3.35Å; K1600-A1603 PolarHBondContact O-N 2.84Å; K1600-K1604 WeakPolarHBondContact O-CB 3.14Å; K1600-K1604 PolarHBondContact O-N 3.08Å; K1600-V1622 HydrophobicContact CG-CG1 3.9Å; K1600-V1622 HydrophobicContact CG-CG2 3.93Å |
| 1601 | F | 91.4 | Very high | 83.7 | Confident | 14 Ų | 14 | 52 Ų | 52 | 6% | 0.061 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.1 | -43.8 | 175.8 | 175.1 | -94.4 | 0 | 0 | 0 | 111.2 | L1415 H1537 F1539 L1571 E1572 F1597 I1598 K1604 K1605 | L1415-F1601 HydrophobicContact CD2-CD1 3.86Å; L1415-F1601 HydrophobicContact CD2-CE1 4.12Å; H1537-F1601 AromaticContact CD2-CE1 3.87Å; H1537-F1601 AromaticContact CD2-CZ 3.93Å; H1537-F1601 AromaticContact NE2-CZ 3.67Å; F1539-F1601 AromaticContact CE2-CE1 3.92Å; F1539-F1601 HydrophobicContact CE2-CE1 3.92Å; F1539-F1601 HydrophobicContact CE2-CZ 4.18Å; F1539-F1601 AromaticContact CZ-CE1 3.82Å; F1539-F1601 HydrophobicContact CZ-CE1 3.82Å; F1539-F1601 HydrophobicContact CZ-CE2 4.45Å; F1539-F1601 AromaticContact CZ-CZ 3.6Å; F1539-F1601 HydrophobicContact CZ-CZ 3.6Å; L1571-F1601 HydrophobicContact CD1-CB 4.18Å; L1571-F1601 HydrophobicContact CD1-CD1 4.34Å; L1571-F1601 HydrophobicContact CD1-CD2 4.5Å; L1571-F1601 HydrophobicContact CD1-CG 4.08Å; L1571-F1601 HydrophobicContact CD2-CD1 4.44Å; L1571-F1601 HydrophobicContact CD2-CD2 3.78Å; L1571-F1601 HydrophobicContact CD2-CE1 4.48Å; L1571-F1601 HydrophobicContact CD2-CE2 3.81Å; L1571-F1601 HydrophobicContact CD2-CG 4.11Å; L1571-F1601 HydrophobicContact CD2-CZ 4.18Å; E1572-F1601 HydrophobicContact CG-CD2 3.97Å; E1572-F1601 HydrophobicContact CG-CE2 3.84Å; E1572-F1601 WeakPolarHBondContact OE1-CD2 3.34Å; F1597-F1601 WeakPolarHBondContact O-CB 3.49Å; F1597-F1601 PolarHBondContact O-N 3.18Å; I1598-F1601 PolarHBondContact O-N 3.39Å; F1601-K1604 WeakPolarHBondContact O-CB 3.1Å; F1601-K1604 PolarHBondContact O-N 3.4Å; F1601-K1605 HydrophobicContact CD1-CG 4.3Å; F1601-K1605 HydrophobicContact CE1-CG 3.8Å; F1601-K1605 HydrophobicContact CE2-CD 4.47Å; F1601-K1605 HydrophobicContact CE2-CG 4.07Å; F1601-K1605 HydrophobicContact CZ-CD 4.19Å; F1601-K1605 VanDerWaalsContact CZ-CE 3.46Å; F1601-K1605 HydrophobicContact CZ-CG 3.67Å; F1601-K1605 WeakPolarHBondContact O-CG 3.33Å; F1601-K1605 PolarHBondContact O-N 3.05Å |
| 1602 | Y | 90.1 | Very high | 81.9 | Confident | 16 Ų | 16 | 60.3 Ų | 60.3 | 6% | 0.063 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.4 | -46.5 | 178.5 | -170.1 | -88.7 | 0 | 0 | 0 | 111.7 | V1363 L1415 P1417 K1535 I1598 G1599 K1600 K1604 K1605 F1606 P1623 | V1363-Y1602 HydrophobicContact CG1-CD1 4.44Å; V1363-Y1602 HydrophobicContact CG1-CD2 3.88Å; V1363-Y1602 HydrophobicContact CG1-CE2 4.05Å; V1363-Y1602 HydrophobicContact CG1-CG 4.06Å; V1363-Y1602 HydrophobicContact CG2-CD1 3.48Å; V1363-Y1602 VanDerWaalsContact CG2-CD1 3.48Å; V1363-Y1602 HydrophobicContact CG2-CD2 4.38Å; V1363-Y1602 HydrophobicContact CG2-CE1 3.48Å; V1363-Y1602 VanDerWaalsContact CG2-CE1 3.48Å; V1363-Y1602 HydrophobicContact CG2-CE2 4.38Å; V1363-Y1602 HydrophobicContact CG2-CG 3.93Å; L1415-Y1602 HydrophobicContact CB-CD2 4.09Å; L1415-Y1602 HydrophobicContact CB-CE2 4.38Å; L1415-Y1602 HydrophobicContact CD2-CD2 4.38Å; P1417-Y1602 VanDerWaalsContact CD-OH 3.31Å; P1417-Y1602 WeakPolarHBondContact CD-OH 3.41Å; P1417-Y1602 WeakPolarHBondContact CG-OH 3.19Å; K1535-Y1602 WeakPolarHBondContact CB-OH 3.45Å; K1535-Y1602 WeakPolarHBondContact O-CE2 3.48Å; K1535-Y1602 PolarHBondContact O-OH 2.67Å; I1598-Y1602 WeakPolarHBondContact O-CB 3.4Å; I1598-Y1602 PolarHBondContact O-N 2.83Å; G1599-Y1602 PolarHBondContact O-N 3.12Å; K1600-Y1602 VanDerWaalsContact C-N 3.3Å; K1600-Y1602 PolarHBondContact O-N 3.35Å; Y1602-K1604 VanDerWaalsContact C-N 3.28Å; Y1602-K1604 PolarHBondContact O-N 3.22Å; Y1602-K1605 PolarHBondContact O-N 3.2Å; Y1602-K1605 VanDerWaalsContact O-N 3.1Å; Y1602-F1606 HydrophobicContact CD1-CD2 4.24Å; Y1602-F1606 AromaticContact CD2-CD2 3.7Å; Y1602-F1606 HydrophobicContact CD2-CD2 3.7Å; Y1602-F1606 AromaticContact CD2-CE2 3.96Å; Y1602-F1606 HydrophobicContact CD2-CE2 3.96Å; Y1602-F1606 HydrophobicContact CE1-CB 4.25Å; Y1602-F1606 HydrophobicContact CE1-CD2 4.02Å; Y1602-F1606 AromaticContact CE2-CD2 3.44Å; Y1602-F1606 HydrophobicContact CE2-CD2 3.44Å; Y1602-F1606 VanDerWaalsContact CE2-CD2 3.44Å; Y1602-F1606 AromaticContact CE2-CE2 3.65Å; Y1602-F1606 HydrophobicContact CE2-CE2 3.65Å; Y1602-F1606 HydrophobicContact CG-CD2 4.11Å; Y1602-F1606 AromaticContact CZ-CD2 3.63Å; Y1602-F1606 PolarHBondContact O-N 3.34Å; Y1602-P1623 HydrophobicContact CD1-CG 4.2Å |
| 1603 | A | 88.2 | Confident | 80.1 | Confident | 30 Ų | 30 | 64 Ų | 64 | 25% | 0.248 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.1 | -36.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | G1599 K1600 F1606 P1607 | G1599-A1603 PolarHBondContact O-N 3.12Å; K1600-A1603 PolarHBondContact O-N 2.84Å; A1603-F1606 CarbonylContact O-C 3.58Å; A1603-P1607 WeakPolarHBondContact O-CA 3.35Å |
| 1604 | K | 88.6 | Confident | 78 | Confident | 121 Ų | 121 | 67.8 Ų | 67.8 | 53% | 0.526 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.9 | -35.4 | 174.5 | -178.5 | -175.8 | 176.4 | -169.9 | 0 | 112.5 | E1572 K1600 F1601 Y1602 | E1572-K1604 VanDerWaalsContact CD-NZ 3.34Å; E1572-K1604 IonicContact OE1-NZ 3.79Å; E1572-K1604 PolarHBondContact OE1-NZ 3.45Å; E1572-K1604 IonicContact OE2-NZ 3.92Å; E1572-K1604 PolarHBondContact OE2-NZ 3.4Å; K1600-K1604 WeakPolarHBondContact O-CB 3.14Å; K1600-K1604 PolarHBondContact O-N 3.08Å; F1601-K1604 WeakPolarHBondContact O-CB 3.1Å; F1601-K1604 PolarHBondContact O-N 3.4Å; Y1602-K1604 VanDerWaalsContact C-N 3.28Å; Y1602-K1604 PolarHBondContact O-N 3.22Å |
| 1605 | K | 87.6 | Confident | 75.3 | Confident | 87 Ų | 87 | 74.1 Ų | 74.1 | 38% | 0.378 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -84.5 | -34.2 | -179.2 | -70.9 | -63.9 | -175.2 | -177.7 | 0 | 113.5 | I1530 F1601 Y1602 | I1530-K1605 HydrophobicContact CD1-CD 4.39Å; F1601-K1605 HydrophobicContact CD1-CG 4.3Å; F1601-K1605 HydrophobicContact CE1-CG 3.8Å; F1601-K1605 HydrophobicContact CE2-CD 4.47Å; F1601-K1605 HydrophobicContact CE2-CG 4.07Å; F1601-K1605 HydrophobicContact CZ-CD 4.19Å; F1601-K1605 VanDerWaalsContact CZ-CE 3.46Å; F1601-K1605 HydrophobicContact CZ-CG 3.67Å; F1601-K1605 WeakPolarHBondContact O-CG 3.33Å; F1601-K1605 PolarHBondContact O-N 3.05Å; Y1602-K1605 PolarHBondContact O-N 3.2Å; Y1602-K1605 VanDerWaalsContact O-N 3.1Å |
| 1606 | F | 88.6 | Confident | 73.1 | Confident | 26 Ų | 26 | 81.2 Ų | 81.2 | 11% | 0.114 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -128.4 | 72.2 | -178.3 | -53.5 | -69.3 | 0 | 0 | 0 | 109.6 | I1530 K1535 H1537 Y1602 A1603 | I1530-F1606 HydrophobicContact CG2-CE1 3.9Å; I1530-F1606 HydrophobicContact CG2-CZ 3.86Å; K1535-F1606 VanDerWaalsContact C-CZ 3.45Å; K1535-F1606 HydrophobicContact CB-CD1 4.05Å; K1535-F1606 HydrophobicContact CB-CD2 4.49Å; K1535-F1606 HydrophobicContact CB-CE1 4.32Å; K1535-F1606 HydrophobicContact CB-CG 4.14Å; K1535-F1606 HydrophobicContact CG-CD1 4.25Å; K1535-F1606 WeakPolarHBondContact O-CE2 2.93Å; H1537-F1606 HydrophobicContact CB-CE2 4.15Å; H1537-F1606 HydrophobicContact CB-CZ 4.28Å; Y1602-F1606 HydrophobicContact CD1-CD2 4.24Å; Y1602-F1606 AromaticContact CD2-CD2 3.7Å; Y1602-F1606 HydrophobicContact CD2-CD2 3.7Å; Y1602-F1606 AromaticContact CD2-CE2 3.96Å; Y1602-F1606 HydrophobicContact CD2-CE2 3.96Å; Y1602-F1606 HydrophobicContact CE1-CB 4.25Å; Y1602-F1606 HydrophobicContact CE1-CD2 4.02Å; Y1602-F1606 AromaticContact CE2-CD2 3.44Å; Y1602-F1606 HydrophobicContact CE2-CD2 3.44Å; Y1602-F1606 VanDerWaalsContact CE2-CD2 3.44Å; Y1602-F1606 AromaticContact CE2-CE2 3.65Å; Y1602-F1606 HydrophobicContact CE2-CE2 3.65Å; Y1602-F1606 HydrophobicContact CG-CD2 4.11Å; Y1602-F1606 AromaticContact CZ-CD2 3.63Å; Y1602-F1606 PolarHBondContact O-N 3.34Å; A1603-F1606 CarbonylContact O-C 3.58Å |
| 1607 | P | 78.6 | Confident | 71.1 | Confident | 92 Ų | 92 | 89.8 Ų | 89.8 | 60% | 0.597 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 143.3 | 180 | 23.1 | -32.1 | 0 | 0 | 0 | 111.3 | A1603 | A1603-P1607 WeakPolarHBondContact O-CA 3.35Š|
| 1608 | F | 69.6 | Low | 69.1 | Low | 163 Ų | 163 | 95.9 Ų | 95.9 | 72% | 0.715 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -72 | 134.1 | 174.5 | -141.2 | -92.6 | 0 | 0 | 0 | 109.1 | P1610 | F1608-P1610 WeakPolarHBondContact O-CD 3.39Š|
| 1609 | E | 64.9 | Low | 67.2 | Low | 169 Ų | 169 | 103.1 Ų | 103.1 | 79% | 0.79 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 121.8 | 170.6 | -73.8 | 178.7 | 174.9 | 0 | 0 | 107.9 | T1611 | E1609-T1611 PolarHBondContact O-N 3.48Š|
| 1610 | P | 56.2 | Low | 65.8 | Low | 118 Ų | 118 | 112.4 Ų | 112.4 | 77% | 0.766 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 120.4 | 178.3 | 24 | -30.2 | 0 | 0 | 0 | 109.2 | F1608 D1612 | F1608-P1610 WeakPolarHBondContact O-CD 3.39Å; P1610-D1612 PolarHBondContact O-N 2.98Å |
| 1611 | T | 55.3 | Low | 65.1 | Low | 123 Ų | 123 | 114.2 Ų | 114.2 | 76% | 0.755 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 120.9 | 165.1 | 30.6 | 0 | 0 | 0 | 0 | 108.5 | E1609 G1613 | E1609-T1611 PolarHBondContact O-N 3.48Å; T1611-G1613 PolarHBondContact O-N 2.82Å; T1611-G1613 VanDerWaalsContact O-N 3.11Å |
| 1612 | D | 50.3 | Low | 64.3 | Low | 175 Ų | 175 | 116.5 Ų | 116.5 | 94% | 0.936 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -42.6 | 112.8 | -179.2 | -75 | -36.1 | 0 | 0 | 0 | 112.1 | P1610 | P1610-D1612 PolarHBondContact O-N 2.98Š|
| 1613 | G | 53.3 | Low | 64 | Low | 80 Ų | 80 | 116.2 Ų | 116.2 | 83% | 0.825 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 154 | -14.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 120.5 | T1611 | T1611-G1613 PolarHBondContact O-N 2.82Å; T1611-G1613 VanDerWaalsContact O-N 3.11Å |
| 1614 | S | 44.4 | Very low | 63.7 | Low | 80 Ų | 80 | 116.1 Ų | 116.1 | 56% | 0.559 | 62% | 0.617 | S | S | * | * | trans | -110.6 | 104.4 | 179.4 | 51.6 | 0 | 0 | 0 | 0 | 112.6 | E1616 | S1614-E1616 PolarHBondContact O-N 3.23Š| ||
| 1615 | C | 37.4 | Very low | 63.6 | Low | 133 Ų | 133 | 111.5 Ų | 111.5 | 90% | 0.899 | 60% | 0.599 | S | S | * | * | trans | -93.1 | 73.5 | 169.4 | -73 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1616 | E | 43.6 | Very low | 63.6 | Low | 167 Ų | 167 | 108.1 Ų | 108.1 | 78% | 0.78 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -139 | 152.3 | 156.6 | -69.8 | -164 | 166.7 | 0 | 0 | 107.8 | S1614 E1618 | S1614-E1616 PolarHBondContact O-N 3.23Å; E1616-E1618 PolarHBondContact O-N 2.79Å |
| 1617 | E | 43.9 | Very low | 63.7 | Low | 205 Ų | 205 | 107.1 Ų | 107.1 | 96% | 0.958 | 58% | 0.582 | S | S | * | * | trans | -64.8 | 71 | -179.8 | -65.2 | -178.9 | 153.9 | 0 | 0 | 110.3 | E1619 | E1617-E1619 PolarHBondContact O-N 2.68Š| ||
| 1618 | E | 48.2 | Very low | 64.2 | Low | 141 Ų | 141 | 103.3 Ų | 103.3 | 66% | 0.659 | 56% | 0.556 | S | S | * | * | trans | -69.9 | 122.2 | -175.9 | -74.8 | -166.9 | 175.8 | 0 | 0 | 109.9 | E1616 K1620 | E1616-E1618 PolarHBondContact O-N 2.79Å; E1618-K1620 PolarHBondContact O-N 2.65Å | ||
| 1619 | E | 53.5 | Low | 65.3 | Low | 151 Ų | 151 | 95.6 Ų | 95.6 | 71% | 0.706 | 52% | 0.522 | S | S | * | . | trans | -43.6 | 122.4 | 167.5 | -68.6 | 178.5 | 137.9 | 0 | 0 | 109.4 | K1355 E1617 H1621 | K1355-E1619 IonicContact NZ-OE2 2.73Å; K1355-E1619 PolarHBondContact NZ-OE2 2.92Å; E1617-E1619 PolarHBondContact O-N 2.68Å; E1619-H1621 PolarHBondContact O-N 3.37Å | ||
| 1620 | K | 58.6 | Low | 66.6 | Low | 197 Ų | 197 | 87.5 Ų | 87.5 | 86% | 0.857 | 48% | 0.484 | S | S | * | . | trans | -47.9 | 111.5 | 179.4 | -72.7 | 178.7 | 179 | 174.9 | 0 | 110.5 | E1618 V1622 | E1618-K1620 PolarHBondContact O-N 2.65Å; K1620-V1622 PolarHBondContact O-N 3.28Å | ||
| 1621 | H | 73.8 | Confident | 68.1 | Low | 111 Ų | 111 | 82.3 Ų | 82.3 | 51% | 0.514 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 120.7 | 176.8 | -179.1 | 61.6 | 0 | 0 | 0 | 110.5 | E1362 E1619 | E1362-H1621 IonicContact OE1-CE1 3.82Å; E1362-H1621 IonicContact OE1-NE2 3.14Å; E1362-H1621 PolarHBondContact OE1-NE2 2.94Å; E1362-H1621 IonicContact OE2-CD2 3.74Å; E1362-H1621 IonicContact OE2-NE2 3.12Å; E1362-H1621 PolarHBondContact OE2-NE2 3.18Å; E1619-H1621 PolarHBondContact O-N 3.37Å |
| 1622 | V | 76.4 | Confident | 69.5 | Low | 61 Ų | 61 | 76.5 Ų | 76.5 | 37% | 0.37 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -100.2 | 116.2 | 176 | -179.9 | 0 | 0 | 0 | 0 | 107.9 | K1600 K1620 | K1600-V1622 HydrophobicContact CG-CG1 3.9Å; K1600-V1622 HydrophobicContact CG-CG2 3.93Å; K1620-V1622 PolarHBondContact O-N 3.28Å |
| 1623 | P | 82.2 | Confident | 71.1 | Confident | 10 Ų | 10 | 69 Ų | 69 | 7% | 0.065 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 143 | -177 | 27.5 | -34.6 | 0 | 0 | 0 | 111.1 | E1362 V1363 G1599 Y1602 | E1362-P1623 HydrophobicContact CB-CB 4.01Å; E1362-P1623 WeakPolarHBondContact OE2-CB 3.15Å; V1363-P1623 HydrophobicContact CG2-CB 3.83Å; V1363-P1623 HydrophobicContact CG2-CG 3.98Å; G1599-P1623 WeakPolarHBondContact O-CD 3.41Å; Y1602-P1623 HydrophobicContact CD1-CG 4.2Å |
| 1624 | S | 81.7 | Confident | 72.2 | Confident | 28 Ų | 28 | 67.6 Ų | 67.6 | 20% | 0.196 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 136.5 | 172.8 | 46.5 | 0 | 0 | 0 | 0 | 110.7 | Q1360 P1361 E1362 V1363 | Q1360-S1624 PolarHBondContact O-OG 2.83Å; P1361-S1624 VanDerWaalsContact CA-OG 3.23Å; P1361-S1624 WeakPolarHBondContact CA-OG 3.42Å; E1362-S1624 PolarHBondContact N-O 3.09Å; E1362-S1624 PolarHBondContact N-OG 2.8Å; V1363-S1624 PolarHBondContact N-O 3.34Å |
| 1625 | V | 87.3 | Confident | 73.8 | Confident | 25 Ų | 25 | 66.6 Ų | 66.6 | 15% | 0.152 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 133.2 | -171.1 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | V1363 V1365 I1595 I1598 V1627 | V1363-V1625 HydrophobicContact CB-CG2 4.27Å; V1363-V1625 CarbonylContact O-C 3.56Å; V1363-V1625 WeakPolarHBondContact O-CA 3.28Å; V1365-V1625 HydrophobicContact CG2-CG1 3.6Å; I1595-V1625 HydrophobicContact CG2-CB 3.82Å; I1595-V1625 HydrophobicContact CG2-CG1 4.21Å; I1598-V1625 HydrophobicContact CB-CG1 4.42Å; I1598-V1625 HydrophobicContact CB-CG2 4.47Å; I1598-V1625 HydrophobicContact CG2-CG1 4.04Å; I1598-V1625 HydrophobicContact CG2-CG2 4.3Å; V1625-V1627 HydrophobicContact CG1-CG2 4.32Å |
| 1626 | V | 87.4 | Confident | 75.8 | Confident | 15 Ų | 15 | 62.1 Ų | 62.1 | 9% | 0.091 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 134.9 | 166.6 | 66.1 | 0 | 0 | 0 | 0 | 110.9 | P1361 V1363 E1364 V1365 L1418 Y1428 | P1361-V1626 HydrophobicContact CB-CB 3.97Å; P1361-V1626 HydrophobicContact CB-CG1 4.1Å; P1361-V1626 HydrophobicContact CG-CB 4.13Å; P1361-V1626 HydrophobicContact CG-CG1 4.24Å; V1363-V1626 PolarHBondContact O-N 2.99Å; E1364-V1626 CarbonylContact C-O 3.5Å; E1364-V1626 WeakPolarHBondContact CA-O 3.44Å; E1364-V1626 HydrophobicContact CB-CG1 3.74Å; V1365-V1626 PolarHBondContact N-O 3.49Å; L1418-V1626 HydrophobicContact CD1-CG1 4.4Å; L1418-V1626 HydrophobicContact CD2-CG1 4.31Å; Y1428-V1626 HydrophobicContact CD2-CG2 4.29Å |
| 1627 | V | 90.3 | Very high | 77.5 | Confident | 5 Ų | 5 | 54.3 Ų | 54.3 | 3% | 0.03 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 126.2 | 177.7 | -174.8 | 0 | 0 | 0 | 0 | 110.2 | V1365 L1367 Y1427 V1582 Q1586 I1595 V1625 | V1365-V1627 HydrophobicContact CB-CB 4.41Å; V1365-V1627 HydrophobicContact CB-CG1 4.27Å; V1365-V1627 HydrophobicContact CB-CG2 4.05Å; V1365-V1627 HydrophobicContact CG1-CG1 4.4Å; V1365-V1627 HydrophobicContact CG2-CG2 4.2Å; V1365-V1627 WeakPolarHBondContact O-CA 3.5Å; L1367-V1627 HydrophobicContact CD1-CG1 3.63Å; L1367-V1627 HydrophobicContact CG-CG1 4.04Å; Y1427-V1627 WeakPolarHBondContact CB-O 3.17Å; V1582-V1627 HydrophobicContact CG1-CG1 4.16Å; Q1586-V1627 HydrophobicContact CG-CB 4.39Å; Q1586-V1627 HydrophobicContact CG-CG1 4.11Å; Q1586-V1627 PolarHBondContact NE2-O 2.84Å; I1595-V1627 HydrophobicContact CD1-CG2 3.5Å; V1625-V1627 HydrophobicContact CG1-CG2 4.32Å |
| 1628 | R | 90.3 | Very high | 78.8 | Confident | 13 Ų | 13 | 52.4 Ų | 52.4 | 5% | 0.049 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 132 | 175.4 | -62.7 | -165.3 | -73.6 | 144 | -4 | 110.2 | E1364 V1365 L1367 S1425 Y1427 V1630 | E1364-R1628 IonicContact OE1-NH2 3.96Å; E1364-R1628 IonicContact OE2-CZ 3.73Å; E1364-R1628 IonicContact OE2-NE 3.72Å; E1364-R1628 PolarHBondContact OE2-NE 2.94Å; E1364-R1628 IonicContact OE2-NH2 2.73Å; E1364-R1628 PolarHBondContact OE2-NH2 3.14Å; V1365-R1628 PolarHBondContact O-N 3.26Å; L1367-R1628 PolarHBondContact N-O 3.18Å; S1425-R1628 WeakPolarHBondContact OG-CD 3.48Å; Y1427-R1628 HydrophobicContact CD2-CB 4.4Å; R1628-V1630 HydrophobicContact CB-CG1 4.43Å |
| 1629 | C | 93.3 | Very high | 79.9 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 124.2 | 167.2 | -57.6 | 0 | 0 | 0 | 0 | 108.1 | L1367 Y1427 Y1583 L1749 D1750 | L1367-C1629 WeakPolarHBondContact O-CA 3.36Å; Y1427-C1629 HydrophobicContact CE2-CB 3.94Å; Y1427-C1629 WeakPolarHBondContact CE2-O 3.46Å; Y1583-C1629 HydrophobicContact CE2-CB 4.36Å; C1629-L1749 HydrophobicContact CB-CD2 3.34Å; C1629-D1750 PolarHBondContact O-N 3.37Å |
| 1630 | V | 91.2 | Very high | 80.7 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 157.2 | -175.3 | -60.8 | 0 | 0 | 0 | 0 | 111.6 | V1366 L1367 C1368 R1628 D1632 M1633 D1750 I1752 | V1366-V1630 HydrophobicContact CG1-CB 4.3Å; V1366-V1630 HydrophobicContact CG1-CG1 3.86Å; V1366-V1630 HydrophobicContact CG1-CG2 3.42Å; V1366-V1630 VanDerWaalsContact CG1-CG2 3.42Å; L1367-V1630 PolarHBondContact O-N 2.88Å; C1368-V1630 HydrophobicContact CB-CG2 3.95Å; R1628-V1630 HydrophobicContact CB-CG1 4.43Å; V1630-D1632 WeakPolarHBondContact CG2-O 3.49Å; V1630-M1633 HydrophobicContact CG2-CG 4.39Å; V1630-D1750 CarbonylContact C-O 3.6Å; V1630-D1750 VanDerWaalsContact CA-O 3.22Å; V1630-D1750 WeakPolarHBondContact CA-O 3.1Å; V1630-D1750 HydrophobicContact CG1-CB 4.1Å; V1630-I1752 HydrophobicContact CB-CG1 4.02Å; V1630-I1752 HydrophobicContact CG1-CG1 3.93Å; V1630-I1752 HydrophobicContact CG2-CD1 4.24Å; V1630-I1752 HydrophobicContact CG2-CG1 4.07Å |
| 1631 | H | 87.4 | Confident | 81 | Confident | 9 Ų | 9 | 42.7 Ų | 42.7 | 4% | 0.042 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -64 | -46.7 | 176.8 | -82.1 | -72 | 0 | 0 | 0 | 113 | A1370 Y1381 F1694 D1750 | A1370-H1631 WeakPolarHBondContact CB-O 3.32Å; Y1381-H1631 WeakPolarHBondContact CD1-O 3.23Å; H1631-F1694 HydrophobicContact CB-CE1 3.73Å; H1631-F1694 HydrophobicContact CB-CZ 3.73Å; H1631-F1694 AromaticContact CD2-CE1 3.96Å; H1631-F1694 AromaticContact CG-CE1 3.62Å; H1631-F1694 AromaticContact ND1-CE1 3.96Å; H1631-D1750 PolarHBondContact N-O 3.09Å |
| 1632 | D | 85.8 | Confident | 80.5 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -154.5 | 177 | -175 | 53.1 | 2.6 | 0 | 0 | 0 | 111 | Y1381 V1630 L1636 H1637 Y1646 F1694 I1752 | Y1381-D1632 HydrophobicContact CE1-CB 4.05Å; V1630-D1632 WeakPolarHBondContact CG2-O 3.49Å; D1632-L1636 HydrophobicContact CB-CD2 4.41Å; D1632-H1637 IonicContact OD2-NE2 2.81Å; D1632-H1637 PolarHBondContact OD2-NE2 3.16Å; D1632-Y1646 PolarHBondContact OD1-OH 2.89Å; D1632-Y1646 PolarHBondContact OD2-OH 3.07Å; D1632-F1694 VanDerWaalsContact OD2-CE2 3.26Å; D1632-F1694 WeakPolarHBondContact OD2-CE2 3.28Å; D1632-I1752 WeakPolarHBondContact O-CD1 3.4Å; D1632-I1752 WeakPolarHBondContact O-CG1 3.38Å | ||
| 1633 | M | 83.2 | Confident | 80.1 | Confident | 17 Ų | 17 | 43.4 Ų | 43.4 | 8% | 0.084 | 23% | 0.229 | C | C | . | . | trans | -132.4 | 151.6 | 174.6 | -58.7 | 176.9 | -68.4 | 0 | 0 | 111.5 | C1368 T1412 V1414 V1630 D1635 L1636 I1752 | C1368-M1633 HydrophobicContact CB-CE 3.7Å; C1368-M1633 HydrophobicContact CB-CG 3.72Å; C1368-M1633 HydrophobicContact CB-SD 3.85Å; T1412-M1633 HydrophobicContact CG2-CE 3.37Å; T1412-M1633 HydrophobicContact CG2-SD 4.12Å; V1414-M1633 HydrophobicContact CG2-SD 3.75Å; V1630-M1633 HydrophobicContact CG2-CG 4.39Å; M1633-D1635 PolarHBondContact O-N 2.74Å; M1633-D1635 VanDerWaalsContact O-N 3.13Å; M1633-L1636 VanDerWaalsContact O-CB 3.28Å; M1633-L1636 WeakPolarHBondContact O-CB 3.47Å; M1633-L1636 PolarHBondContact O-N 3.1Å; M1633-I1752 HydrophobicContact CB-CD1 4.03Å; M1633-I1752 HydrophobicContact CG-CD1 3.89Å | ||
| 1634 | A | 77 | Confident | 79.4 | Confident | 52 Ų | 52 | 43 Ų | 43 | 43% | 0.43 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -52.1 | -37.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1636 H1637 F1647 | A1634-L1636 VanDerWaalsContact C-N 3.25Å; A1634-L1636 PolarHBondContact O-N 2.99Å; A1634-H1637 PolarHBondContact O-N 2.99Å; A1634-F1647 VanDerWaalsContact CA-CE1 3.45Å; A1634-F1647 HydrophobicContact CB-CD1 4.36Å; A1634-F1647 HydrophobicContact CB-CE1 3.43Å; A1634-F1647 VanDerWaalsContact CB-CE1 3.43Å; A1634-F1647 HydrophobicContact CB-CZ 3.95Å |
| 1635 | D | 77.8 | Confident | 78.7 | Confident | 59 Ų | 59 | 42.1 Ų | 42.1 | 32% | 0.316 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -67.2 | -24.2 | -179.2 | -69.1 | -42.1 | 0 | 0 | 0 | 112.5 | R1536 M1633 H1637 R1638 | R1536-D1635 IonicContact CZ-OD2 2.88Å; R1536-D1635 IonicContact NH1-OD2 2.65Å; R1536-D1635 PolarHBondContact NH1-OD2 3.23Å; R1536-D1635 VanDerWaalsContact NH1-OD2 3.16Å; R1536-D1635 IonicContact NH2-OD2 3.26Å; R1536-D1635 PolarHBondContact NH2-OD2 3.01Å; M1633-D1635 PolarHBondContact O-N 2.74Å; M1633-D1635 VanDerWaalsContact O-N 3.13Å; D1635-H1637 VanDerWaalsContact C-N 3.27Å; D1635-H1637 PolarHBondContact O-N 2.78Å; D1635-R1638 PolarHBondContact O-N 3.41Å; D1635-R1638 IonicContact OD1-CZ 2.86Å; D1635-R1638 IonicContact OD1-NE 2.68Å; D1635-R1638 IonicContact OD1-NH2 3.21Å; D1635-R1638 PolarHBondContact OD1-NH2 3.48Å |
| 1636 | L | 79.5 | Confident | 77.7 | Confident | 38 Ų | 38 | 41.3 Ų | 41.3 | 20% | 0.199 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -72 | -22.2 | 178 | -171.7 | 64.7 | 0 | 0 | 0 | 113 | A1370 R1372 I1379 D1632 M1633 A1634 | A1370-L1636 HydrophobicContact CB-CD2 3.61Å; R1372-L1636 PolarHBondContact NH2-O 3.13Å; R1372-L1636 VanDerWaalsContact NH2-O 3.13Å; I1379-L1636 HydrophobicContact CD1-CD2 3.92Å; I1379-L1636 HydrophobicContact CD1-CG 3.9Å; I1379-L1636 HydrophobicContact CG1-CD2 4.26Å; I1379-L1636 HydrophobicContact CG1-CG 4.34Å; I1379-L1636 HydrophobicContact CG2-CD2 3.8Å; D1632-L1636 HydrophobicContact CB-CD2 4.41Å; M1633-L1636 VanDerWaalsContact O-CB 3.28Å; M1633-L1636 WeakPolarHBondContact O-CB 3.47Å; M1633-L1636 PolarHBondContact O-N 3.1Å; A1634-L1636 VanDerWaalsContact C-N 3.25Å; A1634-L1636 PolarHBondContact O-N 2.99Å |
| 1637 | H | 78.4 | Confident | 76.7 | Confident | 3 Ų | 3 | 42.3 Ų | 42.3 | 1% | 0.014 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -106.4 | 13.7 | -178.6 | -60.6 | -71.5 | 0 | 0 | 0 | 112.8 | I1379 D1632 A1634 D1635 D1639 D1640 F1647 | I1379-H1637 WeakPolarHBondContact CD1-CE1 3.36Å; D1632-H1637 IonicContact OD2-NE2 2.81Å; D1632-H1637 PolarHBondContact OD2-NE2 3.16Å; A1634-H1637 PolarHBondContact O-N 2.99Å; D1635-H1637 VanDerWaalsContact C-N 3.27Å; D1635-H1637 PolarHBondContact O-N 2.78Å; H1637-D1639 VanDerWaalsContact C-N 3.3Å; H1637-D1639 PolarHBondContact O-N 3.32Å; H1637-D1640 WeakPolarHBondContact CA-OD2 3.19Å; H1637-D1640 IonicContact CE1-OD2 2.75Å; H1637-D1640 IonicContact CG-OD2 3.89Å; H1637-D1640 IonicContact ND1-OD2 3.69Å; H1637-D1640 PolarHBondContact ND1-OD2 3.14Å; H1637-D1640 PolarHBondContact O-N 2.89Å; H1637-F1647 AromaticContact CD2-CE2 3.61Å |
| 1638 | R | 71.7 | Confident | 75.4 | Confident | 166 Ų | 166 | 45 Ų | 45 | 63% | 0.626 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -63.9 | -39.6 | -175.3 | -172.5 | 179.6 | -74.7 | -173.4 | 1 | 111.9 | D1635 | D1635-R1638 PolarHBondContact O-N 3.41Å; D1635-R1638 IonicContact OD1-CZ 2.86Å; D1635-R1638 IonicContact OD1-NE 2.68Å; D1635-R1638 IonicContact OD1-NH2 3.21Å; D1635-R1638 PolarHBondContact OD1-NH2 3.48Å |
| 1639 | D | 70.9 | Confident | 73.9 | Confident | 148 Ų | 148 | 45 Ų | 45 | 79% | 0.791 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -95 | -0 | -177 | -54.2 | -36.4 | 0 | 0 | 0 | 112.5 | H1637 | H1637-D1639 VanDerWaalsContact C-N 3.3Å; H1637-D1639 PolarHBondContact O-N 3.32Å |
| 1640 | D | 70.8 | Confident | 72 | Confident | 24 Ų | 24 | 49 Ų | 49 | 13% | 0.128 | 27% | 0.266 | C | S | . | . | trans | -72 | 128.9 | 175.5 | -74.5 | -30 | 0 | 0 | 0 | 109.8 | R1372 H1637 I1642 | R1372-D1640 IonicContact CZ-OD1 3.86Å; R1372-D1640 IonicContact NH1-OD1 2.73Å; R1372-D1640 PolarHBondContact NH1-OD1 2.5Å; R1372-D1640 IonicContact NH2-OD1 2.78Å; R1372-D1640 PolarHBondContact NH2-OD1 3.05Å; R1372-D1640 IonicContact NH2-OD2 3.78Å; R1372-D1640 PolarHBondContact NH2-OD2 2.9Å; H1637-D1640 WeakPolarHBondContact CA-OD2 3.19Å; H1637-D1640 IonicContact CE1-OD2 2.75Å; H1637-D1640 IonicContact CG-OD2 3.89Å; H1637-D1640 IonicContact ND1-OD2 3.69Å; H1637-D1640 PolarHBondContact ND1-OD2 3.14Å; H1637-D1640 PolarHBondContact O-N 2.89Å; D1640-I1642 PolarHBondContact O-N 3.11Å; D1640-I1642 VanDerWaalsContact O-N 3.16Å | ||
| 1641 | P | 65.4 | Low | 70 | Confident | 113 Ų | 113 | 57.2 Ų | 57.2 | 73% | 0.734 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -62.4 | -25.6 | 179.9 | 23.1 | -32 | 0 | 0 | 0 | 112.4 | ||
| 1642 | I | 62 | Low | 68.1 | Low | 59 Ų | 59 | 59.6 Ų | 59.6 | 30% | 0.303 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -130.7 | 122.9 | 176.5 | -56.9 | 174.1 | 0 | 0 | 0 | 107.2 | D1640 C1686 | D1640-I1642 PolarHBondContact O-N 3.11Å; D1640-I1642 VanDerWaalsContact O-N 3.16Å; I1642-C1686 PolarHBondContact O-SG 3.15Å; I1642-C1686 VanDerWaalsContact O-SG 3.34Å |
| 1643 | K | 68.5 | Low | 66.3 | Low | 127 Ų | 127 | 71.6 Ų | 71.6 | 55% | 0.552 | 37% | 0.367 | S | S | * | . | trans | -80.3 | 150.9 | 177.9 | -66.2 | -177.6 | -179.5 | 178.3 | 0 | 110.7 | ||||
| 1644 | P | 67.9 | Low | 64.7 | Low | 3 Ų | 3 | 73 Ų | 73 | 2% | 0.019 | 38% | 0.378 | C | S | . | . | trans | -54.9 | 141.9 | 175.1 | -23.1 | 29.9 | 0 | 0 | 0 | 112.3 | Y1646 F1647 D1691 | P1644-Y1646 HydrophobicContact CB-CD1 3.67Å; P1644-Y1646 HydrophobicContact CB-CE1 3.46Å; P1644-Y1646 VanDerWaalsContact CB-CE1 3.46Å; P1644-Y1646 HydrophobicContact CG-CE1 4.15Å; P1644-Y1646 PolarHBondContact O-N 3.16Å; P1644-Y1646 VanDerWaalsContact O-N 3.11Å; P1644-F1647 HydrophobicContact CB-CD2 3.85Å; P1644-F1647 HydrophobicContact CB-CE2 4.26Å; P1644-F1647 HydrophobicContact CG-CD2 3.84Å; P1644-F1647 HydrophobicContact CG-CE2 3.91Å; P1644-F1647 WeakPolarHBondContact O-CB 3.47Å; P1644-F1647 PolarHBondContact O-N 2.69Å; P1644-D1691 VanDerWaalsContact CA-OD1 3.26Å; P1644-D1691 WeakPolarHBondContact CA-OD1 3.29Å; P1644-D1691 VanDerWaalsContact CB-OD1 3.28Å; P1644-D1691 WeakPolarHBondContact CB-OD1 3.38Å | ||
| 1645 | A | 66.1 | Low | 63.4 | Low | 8 Ų | 8 | 79.2 Ų | 79.2 | 7% | 0.066 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.3 | -28.2 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114 | F1647 S1648 L1665 D1691 L1695 | A1645-F1647 VanDerWaalsContact C-N 3.26Å; A1645-F1647 PolarHBondContact O-N 2.82Å; A1645-S1648 PolarHBondContact O-N 3.21Å; A1645-S1648 PolarHBondContact O-OG 3.4Å; A1645-L1665 HydrophobicContact CB-CB 4.49Å; A1645-L1665 HydrophobicContact CB-CD1 3.52Å; A1645-D1691 PolarHBondContact N-OD1 2.93Å; A1645-D1691 VanDerWaalsContact N-OD1 3.11Å; A1645-L1695 HydrophobicContact CB-CD1 4.24Å; A1645-L1695 HydrophobicContact CB-CD2 4.45Å |
| 1646 | Y | 68 | Low | 62 | Low | 9 Ų | 9 | 84.9 Ų | 84.9 | 4% | 0.035 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -69.4 | -21.5 | 178.1 | 79.1 | -90.2 | 0 | 0 | 0 | 112.9 | D1632 P1644 L1649 S1650 F1694 I1751 | D1632-Y1646 PolarHBondContact OD1-OH 2.89Å; D1632-Y1646 PolarHBondContact OD2-OH 3.07Å; P1644-Y1646 HydrophobicContact CB-CD1 3.67Å; P1644-Y1646 HydrophobicContact CB-CE1 3.46Å; P1644-Y1646 VanDerWaalsContact CB-CE1 3.46Å; P1644-Y1646 HydrophobicContact CG-CE1 4.15Å; P1644-Y1646 PolarHBondContact O-N 3.16Å; P1644-Y1646 VanDerWaalsContact O-N 3.11Å; Y1646-L1649 WeakPolarHBondContact O-CB 3.21Å; Y1646-L1649 PolarHBondContact O-N 3.04Å; Y1646-S1650 PolarHBondContact O-N 3.14Å; Y1646-S1650 VanDerWaalsContact O-N 3.12Å; Y1646-F1694 HydrophobicContact CD1-CB 3.66Å; Y1646-F1694 AromaticContact CD1-CD2 3.81Å; Y1646-F1694 HydrophobicContact CD1-CD2 3.81Å; Y1646-F1694 HydrophobicContact CD1-CG 4.2Å; Y1646-F1694 HydrophobicContact CE1-CB 4.11Å; Y1646-F1694 AromaticContact CE1-CD2 3.42Å; Y1646-F1694 HydrophobicContact CE1-CD2 3.42Å; Y1646-F1694 VanDerWaalsContact CE1-CD2 3.42Å; Y1646-F1694 HydrophobicContact CE1-CE2 4.19Å; Y1646-F1694 HydrophobicContact CE1-CG 4.15Å; Y1646-F1694 HydrophobicContact CG-CB 4.12Å; Y1646-I1751 HydrophobicContact CD2-CG2 4.2Å; Y1646-I1751 HydrophobicContact CE2-CG2 4.08Å |
| 1647 | F | 65.3 | Low | 60.9 | Low | 35 Ų | 35 | 85.5 Ų | 85.5 | 15% | 0.154 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -65 | -43 | 173.5 | -83.9 | -78.3 | 0 | 0 | 0 | 112 | A1634 H1637 P1644 A1645 L1649 S1650 | A1634-F1647 VanDerWaalsContact CA-CE1 3.45Å; A1634-F1647 HydrophobicContact CB-CD1 4.36Å; A1634-F1647 HydrophobicContact CB-CE1 3.43Å; A1634-F1647 VanDerWaalsContact CB-CE1 3.43Å; A1634-F1647 HydrophobicContact CB-CZ 3.95Å; H1637-F1647 AromaticContact CD2-CE2 3.61Å; P1644-F1647 HydrophobicContact CB-CD2 3.85Å; P1644-F1647 HydrophobicContact CB-CE2 4.26Å; P1644-F1647 HydrophobicContact CG-CD2 3.84Å; P1644-F1647 HydrophobicContact CG-CE2 3.91Å; P1644-F1647 WeakPolarHBondContact O-CB 3.47Å; P1644-F1647 PolarHBondContact O-N 2.69Å; A1645-F1647 VanDerWaalsContact C-N 3.26Å; A1645-F1647 PolarHBondContact O-N 2.82Å; F1647-L1649 PolarHBondContact O-N 3.48Å; F1647-S1650 WeakPolarHBondContact O-CB 3.45Å; F1647-S1650 PolarHBondContact O-N 2.83Å; F1647-S1650 PolarHBondContact O-OG 3.22Å |
| 1648 | S | 62.8 | Low | 59.7 | Low | 63 Ų | 63 | 86.9 Ų | 86.9 | 44% | 0.441 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.4 | -33.1 | 174.7 | 15.4 | 0 | 0 | 0 | 0 | 112.2 | A1645 | A1645-S1648 PolarHBondContact O-N 3.21Å; A1645-S1648 PolarHBondContact O-OG 3.4Å |
| 1649 | L | 58.3 | Low | 58.8 | Low | 13 Ų | 13 | 89.4 Ų | 89.4 | 7% | 0.068 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -72.7 | -30.7 | 176.6 | -81 | 176.5 | 0 | 0 | 0 | 113.5 | Y1646 F1647 M1651 V1652 A1661 L1695 W1698 | Y1646-L1649 WeakPolarHBondContact O-CB 3.21Å; Y1646-L1649 PolarHBondContact O-N 3.04Å; F1647-L1649 PolarHBondContact O-N 3.48Å; L1649-M1651 PolarHBondContact O-N 3.42Å; L1649-M1651 VanDerWaalsContact O-N 3.09Å; L1649-V1652 PolarHBondContact O-N 2.94Å; L1649-A1661 HydrophobicContact CD1-CB 3.65Å; L1649-A1661 HydrophobicContact CD2-CB 3.54Å; L1649-A1661 HydrophobicContact CG-CB 3.65Å; L1649-L1695 HydrophobicContact CD1-CD2 3.29Å; L1649-L1695 HydrophobicContact CG-CD2 4.48Å; L1649-W1698 HydrophobicContact CB-CZ2 4.29Å; L1649-W1698 HydrophobicContact CD1-CE3 4.1Å; L1649-W1698 HydrophobicContact CD1-CH2 4.49Å; L1649-W1698 HydrophobicContact CD1-CZ3 4.09Å; L1649-W1698 HydrophobicContact CD2-CH2 4.42Å |
| 1650 | S | 53.1 | Low | 58.2 | Low | 83 Ų | 83 | 87.6 Ų | 87.6 | 58% | 0.58 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -57.7 | -24.5 | 176.5 | 76.2 | 0 | 0 | 0 | 0 | 113 | Y1646 F1647 | Y1646-S1650 PolarHBondContact O-N 3.14Å; Y1646-S1650 VanDerWaalsContact O-N 3.12Å; F1647-S1650 WeakPolarHBondContact O-CB 3.45Å; F1647-S1650 PolarHBondContact O-N 2.83Å; F1647-S1650 PolarHBondContact O-OG 3.22Å |
| 1651 | M | 50.4 | Low | 57.5 | Low | 173 Ų | 173 | 87 Ų | 87 | 85% | 0.852 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -17.7 | 174.2 | -75.3 | -177 | 173.1 | 0 | 0 | 114.1 | L1649 | L1649-M1651 PolarHBondContact O-N 3.42Å; L1649-M1651 VanDerWaalsContact O-N 3.09Å |
| 1652 | V | 46.3 | Very low | 57.1 | Low | 58 Ų | 58 | 82.6 Ų | 82.6 | 35% | 0.352 | 40% | 0.396 | S | S | . | . | trans | -113.6 | 96.4 | -172.1 | -173.7 | 0 | 0 | 0 | 0 | 110.2 | L1649 S1654 | L1649-V1652 PolarHBondContact O-N 2.94Å; V1652-S1654 PolarHBondContact O-N 2.88Å | ||
| 1653 | R | 48.9 | Very low | 57 | Low | 253 Ų | 253 | 85 Ų | 85 | 96% | 0.955 | 41% | 0.406 | S | S | * | . | trans | -63.4 | -1.7 | -176.3 | -75.8 | -178.6 | 172.9 | 172.1 | -2 | 116.3 | ||||
| 1654 | S | 50.4 | Low | 56.6 | Low | 47 Ų | 47 | 81.8 Ų | 81.8 | 33% | 0.329 | 40% | 0.397 | S | S | . | . | trans | -98 | 123.7 | -172 | 168.4 | 0 | 0 | 0 | 0 | 112.7 | V1652 Q1656 | V1652-S1654 PolarHBondContact O-N 2.88Å; S1654-Q1656 PolarHBondContact O-N 2.84Å; S1654-Q1656 PolarHBondContact OG-N 3.09Å | ||
| 1655 | K | 48 | Very low | 56.2 | Low | 181 Ų | 181 | 82 Ų | 82 | 79% | 0.787 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -61.6 | -18.5 | 173.4 | -75 | -173.5 | 175.8 | -174.1 | 0 | 113.9 | N1657 | K1655-N1657 VanDerWaalsContact C-N 3.31Å; K1655-N1657 PolarHBondContact O-N 2.94Å |
| 1656 | Q | 48.5 | Very low | 55.8 | Low | 178 Ų | 178 | 82.3 Ų | 82.3 | 83% | 0.832 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -77.8 | -7 | -172.8 | -80 | 178.7 | -26.4 | 0 | 0 | 114.8 | S1654 | S1654-Q1656 PolarHBondContact O-N 2.84Å; S1654-Q1656 PolarHBondContact OG-N 3.09Å |
| 1657 | N | 57.1 | Low | 55.3 | Low | 52 Ų | 52 | 85 Ų | 85 | 28% | 0.278 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -105.7 | 16.3 | -170.4 | -74 | -10.2 | 0 | 0 | 0 | 115.6 | K1655 R1659 M1660 A1661 | K1655-N1657 VanDerWaalsContact C-N 3.31Å; K1655-N1657 PolarHBondContact O-N 2.94Å; N1657-R1659 VanDerWaalsContact C-N 3.27Å; N1657-R1659 PolarHBondContact O-N 3.07Å; N1657-M1660 HydrophobicContact CB-CB 4.19Å; N1657-M1660 WeakPolarHBondContact O-CA 3.43Å; N1657-M1660 VanDerWaalsContact O-CB 3.23Å; N1657-M1660 WeakPolarHBondContact O-CB 3.49Å; N1657-M1660 PolarHBondContact O-N 3.43Å; N1657-A1661 PolarHBondContact O-N 3.03Å |
| 1658 | M | 52.5 | Low | 54.9 | Low | 31 Ų | 31 | 86.5 Ų | 86.5 | 15% | 0.153 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -57.3 | -38.2 | 177.5 | 179.2 | 179.2 | -92.8 | 0 | 0 | 113 | F1310 M1660 A1661 L1662 H1699 | F1310-M1658 HydrophobicContact CD1-SD 3.63Å; F1310-M1658 HydrophobicContact CD2-SD 4.23Å; F1310-M1658 HydrophobicContact CE1-CE 3.68Å; F1310-M1658 HydrophobicContact CE1-SD 3.15Å; F1310-M1658 WeakPolarHBondContact CE1-SD 3.3Å; F1310-M1658 HydrophobicContact CE2-SD 3.85Å; F1310-M1658 HydrophobicContact CG-SD 4.17Å; F1310-M1658 HydrophobicContact CZ-CE 3.73Å; F1310-M1658 HydrophobicContact CZ-CG 4.47Å; F1310-M1658 HydrophobicContact CZ-SD 3.29Å; F1310-M1658 WeakPolarHBondContact CZ-SD 3.32Å; M1658-M1660 PolarHBondContact O-N 3.14Å; M1658-A1661 PolarHBondContact O-N 3.13Å; M1658-L1662 HydrophobicContact CG-CD1 4.08Å; M1658-L1662 HydrophobicContact CG-CG 4.42Å; M1658-L1662 WeakPolarHBondContact O-CB 3.32Å; M1658-L1662 WeakPolarHBondContact O-CG 3.42Å; M1658-L1662 PolarHBondContact O-N 3.49Å; M1658-H1699 HydrophobicContact CE-CB 3.29Å; M1658-H1699 WeakPolarHBondContact CE-ND1 3.21Å |
| 1659 | R | 54.6 | Low | 54.6 | Low | 219 Ų | 219 | 84.2 Ų | 84.2 | 83% | 0.826 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -57.1 | -39.1 | 171.7 | -81.2 | -174.9 | 178.8 | 154.8 | 1.7 | 112 | N1657 Q1663 | N1657-R1659 VanDerWaalsContact C-N 3.27Å; N1657-R1659 PolarHBondContact O-N 3.07Å; R1659-Q1663 WeakPolarHBondContact O-CB 3.43Å; R1659-Q1663 PolarHBondContact O-N 3.08Å |
| 1660 | M | 57 | Low | 54 | Low | 110 Ų | 110 | 89.1 Ų | 89.1 | 54% | 0.542 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -68.4 | -42 | 178.9 | -157.7 | -176 | -76.6 | 0 | 0 | 110.9 | N1657 M1658 Q1663 V1664 | N1657-M1660 HydrophobicContact CB-CB 4.19Å; N1657-M1660 WeakPolarHBondContact O-CA 3.43Å; N1657-M1660 VanDerWaalsContact O-CB 3.23Å; N1657-M1660 WeakPolarHBondContact O-CB 3.49Å; N1657-M1660 PolarHBondContact O-N 3.43Å; M1658-M1660 PolarHBondContact O-N 3.14Å; M1660-Q1663 CarbonylContact O-C 3.5Å; M1660-Q1663 PolarHBondContact O-N 2.81Å; M1660-V1664 VanDerWaalsContact O-CG2 3.31Å; M1660-V1664 WeakPolarHBondContact O-CG2 3.47Å; M1660-V1664 PolarHBondContact O-N 2.82Å |
| 1661 | A | 56.5 | Low | 53.7 | Low | 11 Ų | 11 | 89 Ų | 89 | 9% | 0.091 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -65.5 | -41.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | L1649 N1657 M1658 Q1663 V1664 L1665 | L1649-A1661 HydrophobicContact CD1-CB 3.65Å; L1649-A1661 HydrophobicContact CD2-CB 3.54Å; L1649-A1661 HydrophobicContact CG-CB 3.65Å; N1657-A1661 PolarHBondContact O-N 3.03Å; M1658-A1661 PolarHBondContact O-N 3.13Å; A1661-Q1663 VanDerWaalsContact C-N 3.29Å; A1661-Q1663 PolarHBondContact O-N 3.44Å; A1661-V1664 PolarHBondContact O-N 2.92Å; A1661-L1665 WeakPolarHBondContact O-CB 3.42Å; A1661-L1665 PolarHBondContact O-N 2.77Å |
| 1662 | L | 56.8 | Low | 53.5 | Low | 21 Ų | 21 | 82.4 Ų | 82.4 | 11% | 0.11 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.5 | -37.7 | 172 | -72.4 | 171.8 | 0 | 0 | 0 | 111.5 | T1306 F1310 M1658 L1665 M1666 L1695 | T1306-L1662 HydrophobicContact CG2-CD1 4.1Å; T1306-L1662 HydrophobicContact CG2-CD2 3.37Å; T1306-L1662 HydrophobicContact CG2-CG 4.24Å; F1310-L1662 HydrophobicContact CD2-CD1 3.85Å; F1310-L1662 HydrophobicContact CE2-CD1 3.73Å; M1658-L1662 HydrophobicContact CG-CD1 4.08Å; M1658-L1662 HydrophobicContact CG-CG 4.42Å; M1658-L1662 WeakPolarHBondContact O-CB 3.32Å; M1658-L1662 WeakPolarHBondContact O-CG 3.42Å; M1658-L1662 PolarHBondContact O-N 3.49Å; L1662-L1665 PolarHBondContact O-N 2.68Å; L1662-M1666 WeakPolarHBondContact O-CB 3.37Å; L1662-M1666 WeakPolarHBondContact O-CG 2.82Å; L1662-M1666 PolarHBondContact O-N 3.29Å; L1662-L1695 HydrophobicContact CD2-CD1 4.42Å |
| 1663 | Q | 59.4 | Low | 53.3 | Low | 109 Ų | 109 | 82.7 Ų | 82.7 | 51% | 0.509 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -69.6 | -35.8 | 176.1 | -170.1 | 167.6 | 3.7 | 0 | 0 | 112 | R1659 M1660 A1661 N1667 | R1659-Q1663 WeakPolarHBondContact O-CB 3.43Å; R1659-Q1663 PolarHBondContact O-N 3.08Å; M1660-Q1663 CarbonylContact O-C 3.5Å; M1660-Q1663 PolarHBondContact O-N 2.81Å; A1661-Q1663 VanDerWaalsContact C-N 3.29Å; A1661-Q1663 PolarHBondContact O-N 3.44Å; Q1663-N1667 WeakPolarHBondContact O-CB 3.33Å; Q1663-N1667 PolarHBondContact O-N 3.21Å; Q1663-N1667 PolarHBondContact O-ND2 2.91Å |
| 1664 | V | 61.4 | Low | 52.9 | Low | 60 Ų | 60 | 79.8 Ų | 79.8 | 36% | 0.364 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.2 | -49.6 | 170.4 | 170 | 0 | 0 | 0 | 0 | 110 | M1660 A1661 M1666 N1667 D1668 | M1660-V1664 VanDerWaalsContact O-CG2 3.31Å; M1660-V1664 WeakPolarHBondContact O-CG2 3.47Å; M1660-V1664 PolarHBondContact O-N 2.82Å; A1661-V1664 PolarHBondContact O-N 2.92Å; V1664-M1666 PolarHBondContact O-N 3.21Å; V1664-N1667 PolarHBondContact O-N 3.08Å; V1664-N1667 VanDerWaalsContact O-N 3.13Å; V1664-D1668 WeakPolarHBondContact O-CB 3.34Å; V1664-D1668 PolarHBondContact O-N 2.94Å |
| 1665 | L | 60 | Low | 52.4 | Low | 8 Ų | 8 | 88.9 Ų | 88.9 | 4% | 0.042 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -54.8 | -52.1 | 174.4 | -170.4 | 91.3 | 0 | 0 | 0 | 110.4 | A1645 A1661 L1662 N1667 D1668 H1669 D1691 L1692 | A1645-L1665 HydrophobicContact CB-CB 4.49Å; A1645-L1665 HydrophobicContact CB-CD1 3.52Å; A1661-L1665 WeakPolarHBondContact O-CB 3.42Å; A1661-L1665 PolarHBondContact O-N 2.77Å; L1662-L1665 PolarHBondContact O-N 2.68Å; L1665-N1667 VanDerWaalsContact C-N 3.32Å; L1665-N1667 PolarHBondContact O-N 3.44Å; L1665-D1668 PolarHBondContact O-N 2.99Å; L1665-H1669 WeakPolarHBondContact O-CB 3.46Å; L1665-H1669 PolarHBondContact O-CD2 2.89Å; L1665-H1669 PolarHBondContact O-N 3.19Å; L1665-D1691 HydrophobicContact CD1-CB 3.95Å; L1665-L1692 HydrophobicContact CD2-CD2 4.02Å |
| 1666 | M | 56 | Low | 51.7 | Low | 14 Ų | 14 | 82.4 Ų | 82.4 | 7% | 0.069 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.1 | -39.8 | 177.6 | -73.8 | 178.7 | 73.7 | 0 | 0 | 112.5 | F1303 L1662 V1664 R1670 | F1303-M1666 HydrophobicContact CB-CE 4.15Å; F1303-M1666 HydrophobicContact CD2-CE 3.45Å; F1303-M1666 VanDerWaalsContact CD2-CE 3.45Å; F1303-M1666 HydrophobicContact CD2-SD 3.78Å; F1303-M1666 HydrophobicContact CE2-CE 4.17Å; F1303-M1666 HydrophobicContact CE2-SD 4.38Å; F1303-M1666 HydrophobicContact CG-CE 4.16Å; L1662-M1666 WeakPolarHBondContact O-CB 3.37Å; L1662-M1666 WeakPolarHBondContact O-CG 2.82Å; L1662-M1666 PolarHBondContact O-N 3.29Å; V1664-M1666 PolarHBondContact O-N 3.21Å; M1666-R1670 WeakPolarHBondContact O-CB 3.01Å; M1666-R1670 WeakPolarHBondContact O-CD 3.41Å; M1666-R1670 WeakPolarHBondContact O-CG 3.5Å; M1666-R1670 PolarHBondContact O-N 2.94Å |
| 1667 | N | 59 | Low | 51.3 | Low | 67 Ų | 67 | 77.3 Ų | 77.3 | 36% | 0.358 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -71.1 | -40 | 179.8 | -74.6 | -14.6 | 0 | 0 | 0 | 112.1 | Q1663 V1664 L1665 R1670 T1671 | Q1663-N1667 WeakPolarHBondContact O-CB 3.33Å; Q1663-N1667 PolarHBondContact O-N 3.21Å; Q1663-N1667 PolarHBondContact O-ND2 2.91Å; V1664-N1667 PolarHBondContact O-N 3.08Å; V1664-N1667 VanDerWaalsContact O-N 3.13Å; L1665-N1667 VanDerWaalsContact C-N 3.32Å; L1665-N1667 PolarHBondContact O-N 3.44Å; N1667-R1670 PolarHBondContact O-N 3.04Å; N1667-R1670 PolarHBondContact OD1-NH1 3.32Å; N1667-T1671 WeakPolarHBondContact O-CG2 3.25Å; N1667-T1671 PolarHBondContact O-N 2.77Å; N1667-T1671 PolarHBondContact O-OG1 3.13Å; N1667-T1671 VanDerWaalsContact O-OG1 3.11Å |
| 1668 | D | 56.9 | Low | 50.7 | Low | 65 Ų | 65 | 81.6 Ų | 81.6 | 35% | 0.348 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 173.1 | -83.3 | 2.3 | 0 | 0 | 0 | 110.3 | V1664 L1665 T1671 R1672 | V1664-D1668 WeakPolarHBondContact O-CB 3.34Å; V1664-D1668 PolarHBondContact O-N 2.94Å; L1665-D1668 PolarHBondContact O-N 2.99Å; D1668-T1671 PolarHBondContact O-N 3.47Å; D1668-T1671 PolarHBondContact O-OG1 3.23Å; D1668-T1671 VanDerWaalsContact O-OG1 3.06Å; D1668-R1672 WeakPolarHBondContact O-CG 3.4Å; D1668-R1672 PolarHBondContact O-N 2.86Å |
| 1669 | H | 56 | Low | 50.1 | Low | 16 Ų | 16 | 85.8 Ų | 85.8 | 7% | 0.074 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -67.6 | -34 | 174.2 | -80.1 | -91.3 | 0 | 0 | 0 | 113.2 | L1302 L1665 R1672 M1688 | L1302-H1669 HydrophobicContact CD1-CB 4.16Å; L1665-H1669 WeakPolarHBondContact O-CB 3.46Å; L1665-H1669 PolarHBondContact O-CD2 2.89Å; L1665-H1669 PolarHBondContact O-N 3.19Å; H1669-R1672 PolarHBondContact CE1-NH1 2.89Å; H1669-R1672 PolarHBondContact ND1-NH1 3.36Å; H1669-R1672 PolarHBondContact NE2-NH2 2.9Å; H1669-R1672 PolarHBondContact O-N 3.13Å; H1669-M1688 WeakPolarHBondContact CE1-CG 3.27Å |
| 1670 | R | 44.7 | Very low | 49.3 | Very low | 115 Ų | 115 | 77.6 Ų | 77.6 | 43% | 0.434 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67.6 | -30.8 | 176.2 | -82.2 | 168 | 176.5 | 176 | -3.4 | 113.4 | L1299 M1666 N1667 | L1299-R1670 HydrophobicContact CD1-CG 4.11Å; L1299-R1670 HydrophobicContact CD2-CG 3.45Å; L1299-R1670 VanDerWaalsContact CD2-CG 3.45Å; L1299-R1670 HydrophobicContact CG-CG 4.44Å; M1666-R1670 WeakPolarHBondContact O-CB 3.01Å; M1666-R1670 WeakPolarHBondContact O-CD 3.41Å; M1666-R1670 WeakPolarHBondContact O-CG 3.5Å; M1666-R1670 PolarHBondContact O-N 2.94Å; N1667-R1670 PolarHBondContact O-N 3.04Å; N1667-R1670 PolarHBondContact OD1-NH1 3.32Å |
| 1671 | T | 46.6 | Very low | 48.6 | Very low | 82 Ų | 82 | 80 Ų | 80 | 50% | 0.503 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -84.7 | -14.7 | -178.9 | 53.4 | 0 | 0 | 0 | 0 | 113 | N1667 D1668 K1674 | N1667-T1671 WeakPolarHBondContact O-CG2 3.25Å; N1667-T1671 PolarHBondContact O-N 2.77Å; N1667-T1671 PolarHBondContact O-OG1 3.13Å; N1667-T1671 VanDerWaalsContact O-OG1 3.11Å; D1668-T1671 PolarHBondContact O-N 3.47Å; D1668-T1671 PolarHBondContact O-OG1 3.23Å; D1668-T1671 VanDerWaalsContact O-OG1 3.06Å; T1671-K1674 PolarHBondContact O-N 2.72Å |
| 1672 | R | 48.1 | Very low | 47.9 | Very low | 34 Ų | 34 | 83.8 Ų | 83.8 | 13% | 0.128 | 44% | 0.442 | C | S | . | . | S | Bend | trans | -58.7 | -47.5 | -178.9 | -79.4 | 176.8 | -167.3 | -178.7 | 7.5 | 115.2 | D1668 H1669 K1674 L1676 H1685 | D1668-R1672 WeakPolarHBondContact O-CG 3.4Å; D1668-R1672 PolarHBondContact O-N 2.86Å; H1669-R1672 PolarHBondContact CE1-NH1 2.89Å; H1669-R1672 PolarHBondContact ND1-NH1 3.36Å; H1669-R1672 PolarHBondContact NE2-NH2 2.9Å; H1669-R1672 PolarHBondContact O-N 3.13Å; R1672-K1674 VanDerWaalsContact C-N 3.32Å; R1672-K1674 PolarHBondContact O-N 2.83Å; R1672-L1676 WeakPolarHBondContact O-CD1 3.27Å; R1672-H1685 VanDerWaalsContact CZ-CB 3.41Å; R1672-H1685 PolarHBondContact NH1-CD2 2.89Å; R1672-H1685 PolarHBondContact NH1-ND1 2.96Å; R1672-H1685 VanDerWaalsContact NH1-ND1 3.17Å; R1672-H1685 PolarHBondContact NH1-NE2 2.91Å |
| 1673 | P | 41.1 | Very low | 47.1 | Very low | 63 Ų | 63 | 86.8 Ų | 86.8 | 41% | 0.409 | 46% | 0.463 | S | S | . | . | G | 310 helix | trans | -69.1 | -28.4 | -177.1 | -17.9 | 30.1 | 0 | 0 | 0 | 113.5 | V1295 R1675 L1676 | V1295-P1673 HydrophobicContact CG1-CG 4.4Å; V1295-P1673 HydrophobicContact CG2-CG 4.48Å; P1673-R1675 VanDerWaalsContact C-N 3.26Å; P1673-R1675 PolarHBondContact O-N 2.85Å; P1673-L1676 PolarHBondContact O-N 2.68Å |
| 1674 | K | 40.1 | Very low | 46.6 | Very low | 193 Ų | 193 | 84.8 Ų | 84.8 | 84% | 0.839 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -74.7 | -9.2 | -171.6 | -74.2 | -172.2 | 176.8 | -177.1 | 0 | 114.7 | T1671 R1672 | T1671-K1674 PolarHBondContact O-N 2.72Å; R1672-K1674 VanDerWaalsContact C-N 3.32Å; R1672-K1674 PolarHBondContact O-N 2.83Å |
| 1675 | R | 40.7 | Very low | 46.3 | Very low | 237 Ų | 237 | 83.3 Ų | 83.3 | 89% | 0.894 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -104.8 | 4.8 | 178.6 | -72 | -170 | -178.3 | -164.1 | 2 | 114.1 | P1673 | P1673-R1675 VanDerWaalsContact C-N 3.26Å; P1673-R1675 PolarHBondContact O-N 2.85Å |
| 1676 | L | 33.2 | Very low | 46.5 | Very low | 45 Ų | 45 | 83.8 Ų | 83.8 | 24% | 0.236 | 45% | 0.452 | C | S | . | . | trans | -105.4 | 121.3 | -174 | -80.4 | 152.6 | 0 | 0 | 0 | 111.5 | R1672 P1673 A1680 L1682 P1683 | R1672-L1676 WeakPolarHBondContact O-CD1 3.27Å; P1673-L1676 PolarHBondContact O-N 2.68Å; L1676-A1680 HydrophobicContact CD2-CB 4.26Å; L1676-L1682 HydrophobicContact CD1-CB 4.49Å; L1676-L1682 HydrophobicContact CD1-CD1 4.27Å; L1676-L1682 HydrophobicContact CD1-CG 3.8Å; L1676-P1683 HydrophobicContact CD2-CG 4.19Å | ||
| 1677 | S | 39.5 | Very low | 47.4 | Very low | 71 Ų | 71 | 84 Ų | 84 | 50% | 0.497 | 46% | 0.455 | S | S | . | . | trans | -66.1 | 148.8 | 166.1 | 50.8 | 0 | 0 | 0 | 0 | 109.8 | S1679 A1680 | S1677-S1679 PolarHBondContact O-N 2.82Å; S1677-A1680 PolarHBondContact O-N 3.22Å; S1677-A1680 VanDerWaalsContact O-N 3.16Å | ||
| 1678 | P | 43.8 | Very low | 48.1 | Very low | 142 Ų | 142 | 81.1 Ų | 81.1 | 92% | 0.922 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -7.7 | -169 | -20.7 | 31.8 | 0 | 0 | 0 | 115.7 | ||
| 1679 | S | 39.8 | Very low | 49.4 | Very low | 119 Ų | 119 | 78.2 Ų | 78.2 | 83% | 0.832 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.3 | 10.1 | -177 | 57.4 | 0 | 0 | 0 | 0 | 114.1 | S1677 | S1677-S1679 PolarHBondContact O-N 2.82Š|
| 1680 | A | 38.4 | Very low | 50.8 | Low | 48 Ų | 48 | 77.7 Ų | 77.7 | 40% | 0.397 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -111 | 122.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1676 S1677 L1682 | L1676-A1680 HydrophobicContact CD2-CB 4.26Å; S1677-A1680 PolarHBondContact O-N 3.22Å; S1677-A1680 VanDerWaalsContact O-N 3.16Å; A1680-L1682 PolarHBondContact O-N 3.05Å |
| 1681 | N | 42.7 | Very low | 52.4 | Low | 160 Ų | 160 | 72.5 Ų | 72.5 | 86% | 0.856 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -46.1 | 135.7 | 168.9 | -70.3 | -28.2 | 0 | 0 | 0 | 110.2 | ||
| 1682 | L | 41 | Very low | 54.1 | Low | 90 Ų | 90 | 69.2 Ų | 69.2 | 47% | 0.471 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -46.1 | 130.9 | 173.6 | -97.2 | 83 | 0 | 0 | 0 | 109.2 | L1676 A1680 T1684 | L1676-L1682 HydrophobicContact CD1-CB 4.49Å; L1676-L1682 HydrophobicContact CD1-CD1 4.27Å; L1676-L1682 HydrophobicContact CD1-CG 3.8Å; A1680-L1682 PolarHBondContact O-N 3.05Å; L1682-T1684 PolarHBondContact O-N 2.81Å |
| 1683 | P | 41.4 | Very low | 55.8 | Low | 84 Ų | 84 | 67.6 Ų | 67.6 | 55% | 0.545 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 137.6 | 174.6 | -14.4 | 29.1 | 0 | 0 | 0 | 108 | L1676 H1685 | L1676-P1683 HydrophobicContact CD2-CG 4.19Å; P1683-H1685 PolarHBondContact O-N 2.75Å; P1683-H1685 VanDerWaalsContact O-N 3.09Å |
| 1684 | T | 47.1 | Very low | 57.9 | Low | 68 Ų | 68 | 64.7 Ų | 64.7 | 42% | 0.417 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -49.2 | 117 | 175.5 | 38.9 | 0 | 0 | 0 | 0 | 109.7 | L1682 | L1682-T1684 PolarHBondContact O-N 2.81Š|
| 1685 | H | 57.1 | Low | 59.7 | Low | 29 Ų | 29 | 56.1 Ų | 56.1 | 13% | 0.134 | 32% | 0.319 | C | S | . | . | trans | -115.1 | 162.5 | 179.9 | 60.6 | -126 | 0 | 0 | 0 | 111 | R1672 P1683 H1731 D1732 | R1672-H1685 VanDerWaalsContact CZ-CB 3.41Å; R1672-H1685 PolarHBondContact NH1-CD2 2.89Å; R1672-H1685 PolarHBondContact NH1-ND1 2.96Å; R1672-H1685 VanDerWaalsContact NH1-ND1 3.17Å; R1672-H1685 PolarHBondContact NH1-NE2 2.91Å; P1683-H1685 PolarHBondContact O-N 2.75Å; P1683-H1685 VanDerWaalsContact O-N 3.09Å; H1685-H1731 AromaticContact CD2-NE2 3.45Å; H1685-H1731 PolarHBondContact CD2-NE2 3.06Å; H1685-H1731 AromaticContact NE2-NE2 3.54Å; H1685-H1731 PolarHBondContact O-NE2 3.47Å; H1685-D1732 IonicContact CD2-OD2 3.68Å; H1685-D1732 IonicContact CE1-OD2 3.98Å; H1685-D1732 IonicContact NE2-OD1 3.58Å; H1685-D1732 IonicContact NE2-OD2 2.65Å; H1685-D1732 PolarHBondContact NE2-OD2 3.01Å | ||
| 1686 | C | 62.4 | Low | 61.4 | Low | 18 Ų | 18 | 45.1 Ų | 45.1 | 12% | 0.122 | 28% | 0.278 | C | S | . | . | trans | -63.5 | 135.6 | 172.9 | -61.8 | 0 | 0 | 0 | 0 | 110.8 | I1642 M1688 | I1642-C1686 PolarHBondContact O-SG 3.15Å; I1642-C1686 VanDerWaalsContact O-SG 3.34Å; C1686-M1688 PolarHBondContact O-N 3.37Å | ||
| 1687 | S | 75 | Confident | 63.6 | Low | 19 Ų | 19 | 43.8 Ų | 43.8 | 13% | 0.133 | 27% | 0.272 | C | S | . | . | trans | -55.4 | 123.1 | 179.8 | 166.3 | 0 | 0 | 0 | 0 | 111.9 | Y1689 R1690 D1691 H1731 D1732 | S1687-Y1689 VanDerWaalsContact C-N 3.26Å; S1687-Y1689 PolarHBondContact O-N 2.8Å; S1687-Y1689 PolarHBondContact OG-N 2.86Å; S1687-R1690 PolarHBondContact O-N 2.93Å; S1687-R1690 VanDerWaalsContact O-N 3.11Å; S1687-R1690 PolarHBondContact OG-N 2.73Å; S1687-D1691 PolarHBondContact O-N 3.05Å; S1687-H1731 VanDerWaalsContact CB-O 3.28Å; S1687-H1731 WeakPolarHBondContact CB-O 3.32Å; S1687-H1731 PolarHBondContact OG-O 2.86Å; S1687-D1732 WeakPolarHBondContact CA-OD1 3.47Å | ||
| 1688 | M | 74.5 | Confident | 65.3 | Low | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.025 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.6 | -42.4 | 174.9 | -76.3 | -176.4 | 17.1 | 0 | 0 | 111.8 | F1301 L1302 H1669 C1686 R1690 D1691 L1692 D1732 | F1301-M1688 HydrophobicContact CD1-CE 4.34Å; F1301-M1688 HydrophobicContact CE1-CE 3.88Å; L1302-M1688 HydrophobicContact CD1-SD 4.46Å; L1302-M1688 HydrophobicContact CD2-CE 3.61Å; L1302-M1688 HydrophobicContact CD2-SD 4.2Å; L1302-M1688 HydrophobicContact CG-CE 4.14Å; H1669-M1688 WeakPolarHBondContact CE1-CG 3.27Å; C1686-M1688 PolarHBondContact O-N 3.37Å; M1688-R1690 VanDerWaalsContact C-N 3.33Å; M1688-R1690 PolarHBondContact O-N 3.47Å; M1688-D1691 PolarHBondContact O-N 2.92Å; M1688-L1692 WeakPolarHBondContact O-CB 3.46Å; M1688-L1692 WeakPolarHBondContact O-CG 3.49Å; M1688-L1692 PolarHBondContact O-N 3.14Å; M1688-D1732 HydrophobicContact CB-CB 4.46Å; M1688-D1732 WeakPolarHBondContact CB-OD1 3.39Å; M1688-D1732 PolarHBondContact N-OD1 3.33Å |
| 1689 | Y | 83.5 | Confident | 66.5 | Low | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57 | -49 | 176.1 | 168.6 | -102.7 | 0 | 0 | 0 | 110.7 | S1687 L1693 F1709 E1710 Y1713 P1735 | S1687-Y1689 VanDerWaalsContact C-N 3.26Å; S1687-Y1689 PolarHBondContact O-N 2.8Å; S1687-Y1689 PolarHBondContact OG-N 2.86Å; Y1689-L1693 HydrophobicContact CE1-CD2 4.14Å; Y1689-L1693 VanDerWaalsContact O-CB 3.25Å; Y1689-L1693 WeakPolarHBondContact O-CB 3.25Å; Y1689-L1693 PolarHBondContact O-N 3.27Å; Y1689-F1709 HydrophobicContact CD2-CE1 4.04Å; Y1689-F1709 HydrophobicContact CE2-CD1 4.29Å; Y1689-F1709 AromaticContact CE2-CE1 3.62Å; Y1689-F1709 HydrophobicContact CE2-CE1 3.62Å; Y1689-E1710 HydrophobicContact CE2-CG 4.28Å; Y1689-E1710 WeakPolarHBondContact OH-CG 3.32Å; Y1689-E1710 PolarHBondContact OH-OE1 2.8Å; Y1689-Y1713 AromaticContact CD2-CD1 3.72Å; Y1689-Y1713 HydrophobicContact CD2-CD1 3.72Å; Y1689-Y1713 HydrophobicContact CD2-CD2 4.09Å; Y1689-Y1713 AromaticContact CD2-CE1 3.84Å; Y1689-Y1713 HydrophobicContact CD2-CE1 3.84Å; Y1689-Y1713 HydrophobicContact CD2-CE2 4.2Å; Y1689-Y1713 AromaticContact CD2-CG 3.86Å; Y1689-Y1713 HydrophobicContact CD2-CG 3.86Å; Y1689-Y1713 HydrophobicContact CE2-CD1 4.43Å; Y1689-Y1713 HydrophobicContact CE2-CG 4.44Å; Y1689-Y1713 HydrophobicContact CG-CE1 4.34Å; Y1689-Y1713 PolarHBondContact N-OH 3.42Å; Y1689-P1735 HydrophobicContact CE1-CG 4.17Å; Y1689-P1735 HydrophobicContact CE2-CG 4.11Å |
| 1690 | R | 85.6 | Confident | 68 | Low | 5 Ų | 5 | 37.9 Ų | 37.9 | 2% | 0.019 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.8 | -42.1 | -178.9 | -66.2 | -69.2 | 178.7 | 173.3 | 0.5 | 112.4 | Y1381 N1383 E1384 S1687 M1688 L1692 L1693 F1694 | Y1381-R1690 HydrophobicContact CD2-CG 4.14Å; Y1381-R1690 VanDerWaalsContact CD2-NE 3.34Å; Y1381-R1690 HydrophobicContact CE2-CB 4.42Å; Y1381-R1690 HydrophobicContact CE2-CG 3.61Å; N1383-R1690 PolarHBondContact OD1-NH2 2.85Å; E1384-R1690 IonicContact OE1-CZ 3.53Å; E1384-R1690 IonicContact OE1-NE 3.18Å; E1384-R1690 IonicContact OE1-NH2 3.02Å; E1384-R1690 PolarHBondContact OE1-NH2 2.94Å; S1687-R1690 PolarHBondContact O-N 2.93Å; S1687-R1690 VanDerWaalsContact O-N 3.11Å; S1687-R1690 PolarHBondContact OG-N 2.73Å; M1688-R1690 VanDerWaalsContact C-N 3.33Å; M1688-R1690 PolarHBondContact O-N 3.47Å; R1690-L1692 PolarHBondContact O-N 3.35Å; R1690-L1693 PolarHBondContact O-N 2.84Å; R1690-F1694 HydrophobicContact CB-CD2 4.44Å; R1690-F1694 HydrophobicContact CB-CE2 4.07Å; R1690-F1694 HydrophobicContact CB-CZ 4.33Å; R1690-F1694 WeakPolarHBondContact O-CB 3.16Å; R1690-F1694 VanDerWaalsContact O-CD2 3.29Å; R1690-F1694 WeakPolarHBondContact O-CD2 3.48Å; R1690-F1694 WeakPolarHBondContact O-CG 3.48Å; R1690-F1694 PolarHBondContact O-N 3.18Å |
| 1691 | D | 79 | Confident | 69.5 | Low | 7 Ų | 7 | 35.9 Ų | 35.9 | 4% | 0.037 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.6 | -48.4 | 175.8 | -90.9 | -30.2 | 0 | 0 | 0 | 111.3 | P1644 A1645 L1665 S1687 M1688 F1694 L1695 | P1644-D1691 VanDerWaalsContact CA-OD1 3.26Å; P1644-D1691 WeakPolarHBondContact CA-OD1 3.29Å; P1644-D1691 VanDerWaalsContact CB-OD1 3.28Å; P1644-D1691 WeakPolarHBondContact CB-OD1 3.38Å; A1645-D1691 PolarHBondContact N-OD1 2.93Å; A1645-D1691 VanDerWaalsContact N-OD1 3.11Å; L1665-D1691 HydrophobicContact CD1-CB 3.95Å; S1687-D1691 PolarHBondContact O-N 3.05Å; M1688-D1691 PolarHBondContact O-N 2.92Å; D1691-F1694 PolarHBondContact O-N 2.59Å; D1691-L1695 WeakPolarHBondContact O-CB 3.27Å; D1691-L1695 WeakPolarHBondContact O-CG 3.49Å; D1691-L1695 PolarHBondContact O-N 3.03Å |
| 1692 | L | 82.2 | Confident | 70.8 | Confident | 12 Ų | 12 | 31.8 Ų | 31.8 | 6% | 0.063 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.8 | -41.9 | 178.3 | -72.1 | 172 | 0 | 0 | 0 | 112.2 | I1305 T1306 L1665 M1688 R1690 F1694 L1695 A1696 F1709 Y1713 | I1305-L1692 HydrophobicContact CG2-CD1 4.41Å; T1306-L1692 HydrophobicContact CG2-CD2 4.29Å; L1665-L1692 HydrophobicContact CD2-CD2 4.02Å; M1688-L1692 WeakPolarHBondContact O-CB 3.46Å; M1688-L1692 WeakPolarHBondContact O-CG 3.49Å; M1688-L1692 PolarHBondContact O-N 3.14Å; R1690-L1692 PolarHBondContact O-N 3.35Å; L1692-F1694 VanDerWaalsContact C-N 3.34Å; L1692-F1694 PolarHBondContact O-N 3Å; L1692-L1695 PolarHBondContact O-N 3.17Å; L1692-A1696 WeakPolarHBondContact O-CB 3.29Å; L1692-A1696 PolarHBondContact O-N 3.2Å; L1692-F1709 HydrophobicContact CB-CE2 4.09Å; L1692-F1709 HydrophobicContact CB-CZ 3.81Å; L1692-Y1713 HydrophobicContact CD1-CD2 4.4Å; L1692-Y1713 HydrophobicContact CD1-CE2 4Å |
| 1693 | L | 83.9 | Confident | 72.3 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.7 | -45.5 | 176.5 | 175.8 | 61.7 | 0 | 0 | 0 | 110.8 | Y1689 R1690 A1696 L1697 L1704 I1706 F1709 | Y1689-L1693 HydrophobicContact CE1-CD2 4.14Å; Y1689-L1693 VanDerWaalsContact O-CB 3.25Å; Y1689-L1693 WeakPolarHBondContact O-CB 3.25Å; Y1689-L1693 PolarHBondContact O-N 3.27Å; R1690-L1693 PolarHBondContact O-N 2.84Å; L1693-A1696 PolarHBondContact O-N 2.94Å; L1693-L1697 HydrophobicContact CD1-CD1 4.06Å; L1693-L1697 HydrophobicContact CD1-CG 4.22Å; L1693-L1697 HydrophobicContact CG-CD1 3.99Å; L1693-L1697 WeakPolarHBondContact O-CB 3.03Å; L1693-L1697 WeakPolarHBondContact O-CG 3.24Å; L1693-L1697 PolarHBondContact O-N 3.02Å; L1693-L1704 HydrophobicContact CD1-CD2 4.28Å; L1693-I1706 HydrophobicContact CD1-CG2 3.94Å; L1693-F1709 HydrophobicContact CB-CD1 4.4Å; L1693-F1709 HydrophobicContact CB-CE1 3.66Å; L1693-F1709 HydrophobicContact CB-CZ 3.87Å; L1693-F1709 HydrophobicContact CD1-CD1 3.72Å; L1693-F1709 HydrophobicContact CD1-CE1 3.87Å; L1693-F1709 HydrophobicContact CD1-CG 4.29Å; L1693-F1709 HydrophobicContact CG-CE1 4.31Å; L1693-F1709 VanDerWaalsContact N-CZ 3.33Å |
| 1694 | F | 84.4 | Confident | 73.8 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70.4 | -36.7 | -178.4 | -64 | -19.8 | 0 | 0 | 0 | 112.5 | Y1381 H1631 D1632 Y1646 R1690 D1691 L1692 A1696 L1697 W1698 I1751 | Y1381-F1694 HydrophobicContact CD1-CZ 4.34Å; Y1381-F1694 HydrophobicContact CE1-CE2 4.05Å; Y1381-F1694 AromaticContact CE1-CZ 3.59Å; Y1381-F1694 HydrophobicContact CE1-CZ 3.59Å; Y1381-F1694 AromaticContact CZ-CZ 3.9Å; H1631-F1694 HydrophobicContact CB-CE1 3.73Å; H1631-F1694 HydrophobicContact CB-CZ 3.73Å; H1631-F1694 AromaticContact CD2-CE1 3.96Å; H1631-F1694 AromaticContact CG-CE1 3.62Å; H1631-F1694 AromaticContact ND1-CE1 3.96Å; D1632-F1694 VanDerWaalsContact OD2-CE2 3.26Å; D1632-F1694 WeakPolarHBondContact OD2-CE2 3.28Å; Y1646-F1694 HydrophobicContact CD1-CB 3.66Å; Y1646-F1694 AromaticContact CD1-CD2 3.81Å; Y1646-F1694 HydrophobicContact CD1-CD2 3.81Å; Y1646-F1694 HydrophobicContact CD1-CG 4.2Å; Y1646-F1694 HydrophobicContact CE1-CB 4.11Å; Y1646-F1694 AromaticContact CE1-CD2 3.42Å; Y1646-F1694 HydrophobicContact CE1-CD2 3.42Å; Y1646-F1694 VanDerWaalsContact CE1-CD2 3.42Å; Y1646-F1694 HydrophobicContact CE1-CE2 4.19Å; Y1646-F1694 HydrophobicContact CE1-CG 4.15Å; Y1646-F1694 HydrophobicContact CG-CB 4.12Å; R1690-F1694 HydrophobicContact CB-CD2 4.44Å; R1690-F1694 HydrophobicContact CB-CE2 4.07Å; R1690-F1694 HydrophobicContact CB-CZ 4.33Å; R1690-F1694 WeakPolarHBondContact O-CB 3.16Å; R1690-F1694 VanDerWaalsContact O-CD2 3.29Å; R1690-F1694 WeakPolarHBondContact O-CD2 3.48Å; R1690-F1694 WeakPolarHBondContact O-CG 3.48Å; R1690-F1694 PolarHBondContact O-N 3.18Å; D1691-F1694 PolarHBondContact O-N 2.59Å; L1692-F1694 VanDerWaalsContact C-N 3.34Å; L1692-F1694 PolarHBondContact O-N 3Å; F1694-A1696 VanDerWaalsContact C-N 3.35Å; F1694-L1697 HydrophobicContact CD1-CD1 4.37Å; F1694-L1697 PolarHBondContact O-N 2.8Å; F1694-W1698 WeakPolarHBondContact O-CB 3.3Å; F1694-W1698 PolarHBondContact O-N 3.5Å; F1694-I1751 HydrophobicContact CB-CD1 3.83Å; F1694-I1751 HydrophobicContact CD1-CD1 3.81Å; F1694-I1751 HydrophobicContact CD1-CG1 4.41Å; F1694-I1751 HydrophobicContact CG-CD1 4.09Å; F1694-I1751 WeakPolarHBondContact O-CD1 3.45Å |
| 1695 | L | 77.8 | Confident | 75.2 | Confident | 14 Ų | 14 | 30 Ų | 30 | 7% | 0.073 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.6 | -42.9 | 170.4 | -72.5 | 172.9 | 0 | 0 | 0 | 111.8 | A1645 L1649 L1662 D1691 L1692 W1698 H1699 | A1645-L1695 HydrophobicContact CB-CD1 4.24Å; A1645-L1695 HydrophobicContact CB-CD2 4.45Å; L1649-L1695 HydrophobicContact CD1-CD2 3.29Å; L1649-L1695 HydrophobicContact CG-CD2 4.48Å; L1662-L1695 HydrophobicContact CD2-CD1 4.42Å; D1691-L1695 WeakPolarHBondContact O-CB 3.27Å; D1691-L1695 WeakPolarHBondContact O-CG 3.49Å; D1691-L1695 PolarHBondContact O-N 3.03Å; L1692-L1695 PolarHBondContact O-N 3.17Å; L1695-W1698 PolarHBondContact O-N 2.81Å; L1695-H1699 WeakPolarHBondContact O-CB 3.47Å; L1695-H1699 PolarHBondContact O-N 3.24Å; L1695-H1699 VanDerWaalsContact O-N 3.08Å |
| 1696 | A | 77.6 | Confident | 76.3 | Confident | 5 Ų | 5 | 29.6 Ų | 29.6 | 4% | 0.041 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.7 | -47.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1692 L1693 F1694 W1698 H1699 F1700 L1704 F1709 | L1692-A1696 WeakPolarHBondContact O-CB 3.29Å; L1692-A1696 PolarHBondContact O-N 3.2Å; L1693-A1696 PolarHBondContact O-N 2.94Å; F1694-A1696 VanDerWaalsContact C-N 3.35Å; A1696-W1698 VanDerWaalsContact C-N 3.35Å; A1696-W1698 PolarHBondContact O-N 3.15Å; A1696-H1699 PolarHBondContact O-N 2.98Å; A1696-F1700 HydrophobicContact CB-CD2 4.3Å; A1696-F1700 WeakPolarHBondContact O-CB 3.45Å; A1696-F1700 VanDerWaalsContact O-CD2 3.25Å; A1696-F1700 WeakPolarHBondContact O-CD2 3.37Å; A1696-F1700 PolarHBondContact O-N 2.74Å; A1696-L1704 HydrophobicContact CB-CD1 4.01Å; A1696-L1704 HydrophobicContact CB-CD2 3.64Å; A1696-L1704 HydrophobicContact CB-CG 4.49Å; A1696-F1709 HydrophobicContact CB-CD2 4.18Å; A1696-F1709 HydrophobicContact CB-CE2 4.31Å |
| 1697 | L | 78.1 | Confident | 77 | Confident | 18 Ų | 18 | 31.9 Ų | 31.9 | 9% | 0.094 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.4 | -39 | 177.4 | -80.6 | 171.5 | 0 | 0 | 0 | 111.9 | L1693 F1694 H1699 G1701 L1704 I1706 I1751 | L1693-L1697 HydrophobicContact CD1-CD1 4.06Å; L1693-L1697 HydrophobicContact CD1-CG 4.22Å; L1693-L1697 HydrophobicContact CG-CD1 3.99Å; L1693-L1697 WeakPolarHBondContact O-CB 3.03Å; L1693-L1697 WeakPolarHBondContact O-CG 3.24Å; L1693-L1697 PolarHBondContact O-N 3.02Å; F1694-L1697 HydrophobicContact CD1-CD1 4.37Å; F1694-L1697 PolarHBondContact O-N 2.8Å; L1697-H1699 VanDerWaalsContact C-N 3.33Å; L1697-H1699 PolarHBondContact O-N 3.47Å; L1697-G1701 WeakPolarHBondContact O-CA 3.42Å; L1697-G1701 PolarHBondContact O-N 2.73Å; L1697-L1704 HydrophobicContact CB-CD2 4.38Å; L1697-L1704 HydrophobicContact CD2-CB 4.25Å; L1697-L1704 HydrophobicContact CD2-CD2 3.73Å; L1697-L1704 HydrophobicContact CG-CD2 3.69Å; L1697-I1706 HydrophobicContact CD2-CD1 4.15Å; L1697-I1706 HydrophobicContact CD2-CG1 4.17Å; L1697-I1751 HydrophobicContact CB-CD1 3.23Å; L1697-I1751 HydrophobicContact CB-CG1 4.15Å; L1697-I1751 HydrophobicContact CD1-CD1 3.76Å; L1697-I1751 HydrophobicContact CD1-CG1 4.19Å; L1697-I1751 HydrophobicContact CG-CD1 4.13Å |
| 1698 | W | 75.1 | Confident | 77.1 | Confident | 74 Ų | 74 | 34.7 Ų | 34.7 | 28% | 0.28 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -62.4 | -40.2 | 175.4 | 178.3 | 88.3 | 0 | 0 | 0 | 112.1 | L1649 F1694 L1695 A1696 | L1649-W1698 HydrophobicContact CB-CZ2 4.29Å; L1649-W1698 HydrophobicContact CD1-CE3 4.1Å; L1649-W1698 HydrophobicContact CD1-CH2 4.49Å; L1649-W1698 HydrophobicContact CD1-CZ3 4.09Å; L1649-W1698 HydrophobicContact CD2-CH2 4.42Å; F1694-W1698 WeakPolarHBondContact O-CB 3.3Å; F1694-W1698 PolarHBondContact O-N 3.5Å; L1695-W1698 PolarHBondContact O-N 2.81Å; A1696-W1698 VanDerWaalsContact C-N 3.35Å; A1696-W1698 PolarHBondContact O-N 3.15Å |
| 1699 | H | 70.6 | Confident | 77.5 | Confident | 66 Ų | 66 | 34.7 Ų | 34.7 | 31% | 0.306 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -79.2 | -52.8 | -177.4 | -173.3 | 73.5 | 0 | 0 | 0 | 113.4 | M1658 L1695 A1696 L1697 | M1658-H1699 HydrophobicContact CE-CB 3.29Å; M1658-H1699 WeakPolarHBondContact CE-ND1 3.21Å; L1695-H1699 WeakPolarHBondContact O-CB 3.47Å; L1695-H1699 PolarHBondContact O-N 3.24Å; L1695-H1699 VanDerWaalsContact O-N 3.08Å; A1696-H1699 PolarHBondContact O-N 2.98Å; L1697-H1699 VanDerWaalsContact C-N 3.33Å; L1697-H1699 PolarHBondContact O-N 3.47Å |
| 1700 | F | 70.6 | Confident | 77.5 | Confident | 68 Ų | 68 | 34.9 Ų | 34.9 | 30% | 0.298 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -85.3 | -18.3 | -175.3 | -63.5 | -71.4 | 0 | 0 | 0 | 112 | F1309 F1310 A1696 N1703 L1704 | F1309-F1700 HydrophobicContact CD1-CE2 4.18Å; F1309-F1700 HydrophobicContact CD1-CZ 4.48Å; F1309-F1700 HydrophobicContact CE1-CE2 4.07Å; F1310-F1700 HydrophobicContact CD1-CZ 4.35Å; F1310-F1700 AromaticContact CE1-CE2 3.85Å; F1310-F1700 HydrophobicContact CE1-CE2 3.85Å; F1310-F1700 AromaticContact CE1-CZ 3.78Å; F1310-F1700 HydrophobicContact CE1-CZ 3.78Å; F1310-F1700 HydrophobicContact CZ-CE2 4.41Å; A1696-F1700 HydrophobicContact CB-CD2 4.3Å; A1696-F1700 WeakPolarHBondContact O-CB 3.45Å; A1696-F1700 VanDerWaalsContact O-CD2 3.25Å; A1696-F1700 WeakPolarHBondContact O-CD2 3.37Å; A1696-F1700 PolarHBondContact O-N 2.74Å; F1700-N1703 WeakPolarHBondContact O-CB 3.3Å; F1700-N1703 PolarHBondContact O-N 2.76Å; F1700-N1703 VanDerWaalsContact O-N 3.13Å; F1700-L1704 HydrophobicContact CB-CB 3.88Å; F1700-L1704 HydrophobicContact CB-CD1 4.35Å; F1700-L1704 HydrophobicContact CD2-CD1 3.83Å; F1700-L1704 HydrophobicContact CG-CD1 4.32Å |
| 1701 | G | 70.6 | Confident | 77.2 | Confident | 6 Ų | 6 | 37.2 Ų | 37.2 | 6% | 0.062 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | 57.6 | -138.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1697 N1703 L1704 | L1697-G1701 WeakPolarHBondContact O-CA 3.42Å; L1697-G1701 PolarHBondContact O-N 2.73Å; G1701-N1703 PolarHBondContact O-N 2.91Å; G1701-N1703 VanDerWaalsContact O-N 3.08Å; G1701-L1704 PolarHBondContact O-N 2.86Å; G1701-L1704 VanDerWaalsContact O-N 3.13Å |
| 1702 | R | 70.2 | Confident | 77.1 | Confident | 74 Ų | 74 | 41.8 Ų | 41.8 | 28% | 0.279 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -64.5 | -10.1 | 177 | -52.6 | -170.8 | -162.1 | 160.3 | 10.5 | 114.4 | Q1424 S1425 W1426 Y1428 L1704 | Q1424-R1702 WeakPolarHBondContact O-CG 3.09Å; Q1424-R1702 PolarHBondContact O-NE 3Å; S1425-R1702 VanDerWaalsContact C-NH2 3.3Å; S1425-R1702 VanDerWaalsContact O-CZ 3.23Å; S1425-R1702 PolarHBondContact O-NH2 3.37Å; W1426-R1702 HydrophobicContact CD2-CG 4.06Å; W1426-R1702 HydrophobicContact CE3-CG 4.46Å; W1426-R1702 HydrophobicContact CH2-CB 3.9Å; W1426-R1702 HydrophobicContact CH2-CG 4.28Å; W1426-R1702 HydrophobicContact CZ2-CB 3.63Å; W1426-R1702 HydrophobicContact CZ2-CG 3.85Å; Y1428-R1702 PolarHBondContact O-NH2 3.21Å; R1702-L1704 VanDerWaalsContact C-N 3.32Å |
| 1703 | N | 71 | Confident | 77.2 | Confident | 138 Ų | 138 | 41.4 Ų | 41.4 | 74% | 0.738 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -85.3 | -7.2 | 177.3 | -60.6 | -20.4 | 0 | 0 | 0 | 112.2 | F1700 G1701 S1705 | F1700-N1703 WeakPolarHBondContact O-CB 3.3Å; F1700-N1703 PolarHBondContact O-N 2.76Å; F1700-N1703 VanDerWaalsContact O-N 3.13Å; G1701-N1703 PolarHBondContact O-N 2.91Å; G1701-N1703 VanDerWaalsContact O-N 3.08Å; N1703-S1705 PolarHBondContact O-N 3.14Å |
| 1704 | L | 73.5 | Confident | 77.2 | Confident | 22 Ų | 22 | 46.6 Ų | 46.6 | 12% | 0.115 | 23% | 0.231 | C | C | . | . | trans | -71 | 120.6 | 173.2 | -173.2 | 67 | 0 | 0 | 0 | 110.3 | F1309 L1693 A1696 L1697 F1700 G1701 R1702 I1706 | F1309-L1704 HydrophobicContact CE1-CD1 4.42Å; L1693-L1704 HydrophobicContact CD1-CD2 4.28Å; A1696-L1704 HydrophobicContact CB-CD1 4.01Å; A1696-L1704 HydrophobicContact CB-CD2 3.64Å; A1696-L1704 HydrophobicContact CB-CG 4.49Å; L1697-L1704 HydrophobicContact CB-CD2 4.38Å; L1697-L1704 HydrophobicContact CD2-CB 4.25Å; L1697-L1704 HydrophobicContact CD2-CD2 3.73Å; L1697-L1704 HydrophobicContact CG-CD2 3.69Å; F1700-L1704 HydrophobicContact CB-CB 3.88Å; F1700-L1704 HydrophobicContact CB-CD1 4.35Å; F1700-L1704 HydrophobicContact CD2-CD1 3.83Å; F1700-L1704 HydrophobicContact CG-CD1 4.32Å; G1701-L1704 PolarHBondContact O-N 2.86Å; G1701-L1704 VanDerWaalsContact O-N 3.13Å; R1702-L1704 VanDerWaalsContact C-N 3.32Å; L1704-I1706 HydrophobicContact CD2-CG1 4.33Å; L1704-I1706 PolarHBondContact O-N 2.69Å | ||
| 1705 | S | 76.5 | Confident | 76.9 | Confident | 43 Ų | 43 | 52.2 Ų | 52.2 | 30% | 0.301 | 26% | 0.255 | S | S | . | . | trans | -75.4 | 100.4 | 159.7 | 177 | 0 | 0 | 0 | 0 | 108.6 | N1703 E1707 D1708 F1709 | N1703-S1705 PolarHBondContact O-N 3.14Å; S1705-E1707 PolarHBondContact O-N 3.11Å; S1705-D1708 WeakPolarHBondContact CB-OD2 3.47Å; S1705-D1708 PolarHBondContact O-N 3.16Å; S1705-D1708 PolarHBondContact OG-N 2.9Å; S1705-D1708 PolarHBondContact OG-OD2 3.43Å; S1705-F1709 PolarHBondContact O-N 2.77Å | ||
| 1706 | I | 80.6 | Confident | 76.9 | Confident | 21 Ų | 21 | 52.2 Ų | 52.2 | 11% | 0.108 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.2 | -29.8 | 177.3 | -57 | 173.3 | 0 | 0 | 0 | 110.2 | L1693 L1697 L1704 F1709 E1710 | L1693-I1706 HydrophobicContact CD1-CG2 3.94Å; L1697-I1706 HydrophobicContact CD2-CD1 4.15Å; L1697-I1706 HydrophobicContact CD2-CG1 4.17Å; L1704-I1706 HydrophobicContact CD2-CG1 4.33Å; L1704-I1706 PolarHBondContact O-N 2.69Å; I1706-F1709 WeakPolarHBondContact O-CB 3.48Å; I1706-F1709 PolarHBondContact O-N 2.95Å; I1706-E1710 HydrophobicContact CG2-CG 4.3Å; I1706-E1710 WeakPolarHBondContact O-CB 3.39Å; I1706-E1710 WeakPolarHBondContact O-CG 3.42Å; I1706-E1710 PolarHBondContact O-N 3.1Å |
| 1707 | E | 76.1 | Confident | 77.1 | Confident | 66 Ų | 66 | 53.2 Ų | 53.2 | 31% | 0.308 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.9 | -45.3 | 177.7 | -55.1 | -170.7 | 167.1 | 0 | 0 | 111.9 | S1705 F1709 E1710 A1711 R1744 | S1705-E1707 PolarHBondContact O-N 3.11Å; E1707-F1709 VanDerWaalsContact C-N 3.27Å; E1707-F1709 PolarHBondContact O-N 3.03Å; E1707-E1710 PolarHBondContact O-N 3.24Å; E1707-A1711 WeakPolarHBondContact O-CB 3.43Å; E1707-A1711 PolarHBondContact O-N 3.34Å; E1707-R1744 WeakPolarHBondContact OE1-CD 3.32Å; E1707-R1744 IonicContact OE1-CZ 3.16Å; E1707-R1744 IonicContact OE1-NE 3.87Å; E1707-R1744 PolarHBondContact OE1-NE 3.42Å; E1707-R1744 IonicContact OE1-NH1 3.9Å; E1707-R1744 PolarHBondContact OE1-NH1 2.95Å; E1707-R1744 IonicContact OE1-NH2 3.91Å; E1707-R1744 IonicContact OE2-CZ 2.97Å; E1707-R1744 IonicContact OE2-NH1 2.66Å; E1707-R1744 IonicContact OE2-NH2 3.62Å |
| 1708 | D | 76.9 | Confident | 77.2 | Confident | 78 Ų | 78 | 55.3 Ų | 55.3 | 42% | 0.417 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.9 | -36.4 | 175.3 | -64.5 | -35.4 | 0 | 0 | 0 | 110.8 | S1705 R1712 | S1705-D1708 WeakPolarHBondContact CB-OD2 3.47Å; S1705-D1708 PolarHBondContact O-N 3.16Å; S1705-D1708 PolarHBondContact OG-N 2.9Å; S1705-D1708 PolarHBondContact OG-OD2 3.43Å; D1708-R1712 VanDerWaalsContact O-CB 3.31Å; D1708-R1712 WeakPolarHBondContact O-CB 3.49Å; D1708-R1712 WeakPolarHBondContact O-CD 3.28Å; D1708-R1712 WeakPolarHBondContact O-CG 3.49Å; D1708-R1712 PolarHBondContact O-N 3.11Å; D1708-R1712 VanDerWaalsContact O-N 3.08Å |
| 1709 | F | 83.2 | Confident | 77.4 | Confident | 6 Ų | 6 | 58.2 Ų | 58.2 | 3% | 0.026 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.1 | -50.6 | 173.1 | 173.7 | -89.3 | 0 | 0 | 0 | 111.7 | F1309 Y1689 L1692 L1693 A1696 S1705 I1706 E1707 R1712 Y1713 | F1309-F1709 AromaticContact CE2-CD2 3.88Å; F1309-F1709 HydrophobicContact CE2-CD2 3.88Å; F1309-F1709 HydrophobicContact CZ-CB 4.18Å; F1309-F1709 AromaticContact CZ-CD2 3.78Å; F1309-F1709 HydrophobicContact CZ-CD2 3.78Å; F1309-F1709 HydrophobicContact CZ-CG 4.48Å; Y1689-F1709 HydrophobicContact CD2-CE1 4.04Å; Y1689-F1709 HydrophobicContact CE2-CD1 4.29Å; Y1689-F1709 AromaticContact CE2-CE1 3.62Å; Y1689-F1709 HydrophobicContact CE2-CE1 3.62Å; L1692-F1709 HydrophobicContact CB-CE2 4.09Å; L1692-F1709 HydrophobicContact CB-CZ 3.81Å; L1693-F1709 HydrophobicContact CB-CD1 4.4Å; L1693-F1709 HydrophobicContact CB-CE1 3.66Å; L1693-F1709 HydrophobicContact CB-CZ 3.87Å; L1693-F1709 HydrophobicContact CD1-CD1 3.72Å; L1693-F1709 HydrophobicContact CD1-CE1 3.87Å; L1693-F1709 HydrophobicContact CD1-CG 4.29Å; L1693-F1709 HydrophobicContact CG-CE1 4.31Å; L1693-F1709 VanDerWaalsContact N-CZ 3.33Å; A1696-F1709 HydrophobicContact CB-CD2 4.18Å; A1696-F1709 HydrophobicContact CB-CE2 4.31Å; S1705-F1709 PolarHBondContact O-N 2.77Å; I1706-F1709 WeakPolarHBondContact O-CB 3.48Å; I1706-F1709 PolarHBondContact O-N 2.95Å; E1707-F1709 VanDerWaalsContact C-N 3.27Å; E1707-F1709 PolarHBondContact O-N 3.03Å; F1709-R1712 PolarHBondContact O-N 2.95Å; F1709-Y1713 HydrophobicContact CZ-CD2 4.42Å; F1709-Y1713 WeakPolarHBondContact O-CB 3.49Å; F1709-Y1713 PolarHBondContact O-N 2.94Å |
| 1710 | E | 83.7 | Confident | 77.6 | Confident | 8 Ų | 8 | 55.6 Ų | 55.6 | 4% | 0.037 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.6 | -47.3 | -180 | -78.3 | 170.9 | 176 | 0 | 0 | 111.7 | Y1689 I1706 E1707 R1712 Y1713 E1714 P1735 R1743 | Y1689-E1710 HydrophobicContact CE2-CG 4.28Å; Y1689-E1710 WeakPolarHBondContact OH-CG 3.32Å; Y1689-E1710 PolarHBondContact OH-OE1 2.8Å; I1706-E1710 HydrophobicContact CG2-CG 4.3Å; I1706-E1710 WeakPolarHBondContact O-CB 3.39Å; I1706-E1710 WeakPolarHBondContact O-CG 3.42Å; I1706-E1710 PolarHBondContact O-N 3.1Å; E1707-E1710 PolarHBondContact O-N 3.24Å; E1710-R1712 VanDerWaalsContact C-N 3.27Å; E1710-R1712 PolarHBondContact O-N 2.92Å; E1710-Y1713 PolarHBondContact O-N 3.39Å; E1710-Y1713 VanDerWaalsContact O-N 3.15Å; E1710-E1714 WeakPolarHBondContact O-CB 3.22Å; E1710-E1714 PolarHBondContact O-N 3Å; E1710-P1735 HydrophobicContact CG-CG 4.39Å; E1710-R1743 IonicContact OE1-CZ 2.88Å; E1710-R1743 VanDerWaalsContact OE1-CZ 3.26Å; E1710-R1743 IonicContact OE1-NE 3.98Å; E1710-R1743 PolarHBondContact OE1-NE 2.84Å; E1710-R1743 IonicContact OE1-NH2 3.21Å; E1710-R1743 PolarHBondContact OE1-NH2 2.82Å; E1710-R1743 IonicContact OE2-CZ 2.75Å; E1710-R1743 IonicContact OE2-NE 3.2Å; E1710-R1743 IonicContact OE2-NH2 2.87Å; E1710-R1743 PolarHBondContact OE2-NH2 3.36Å |
| 1711 | A | 78.6 | Confident | 77.7 | Confident | 54 Ų | 54 | 53.5 Ų | 53.5 | 45% | 0.446 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.1 | -37.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | E1707 K1715 | E1707-A1711 WeakPolarHBondContact O-CB 3.43Å; E1707-A1711 PolarHBondContact O-N 3.34Å; A1711-K1715 WeakPolarHBondContact O-CB 3.45Å; A1711-K1715 PolarHBondContact O-N 3.05Å |
| 1712 | R | 78.6 | Confident | 77.8 | Confident | 102 Ų | 102 | 58.8 Ų | 58.8 | 39% | 0.385 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -70.9 | -40.3 | 175 | -71.4 | 174.6 | -175.1 | 163.4 | 2.6 | 112 | W1308 F1309 D1708 F1709 E1710 K1715 A1716 | W1308-R1712 HydrophobicContact CZ3-CG 4.07Å; F1309-R1712 HydrophobicContact CE2-CB 4.33Å; D1708-R1712 VanDerWaalsContact O-CB 3.31Å; D1708-R1712 WeakPolarHBondContact O-CB 3.49Å; D1708-R1712 WeakPolarHBondContact O-CD 3.28Å; D1708-R1712 WeakPolarHBondContact O-CG 3.49Å; D1708-R1712 PolarHBondContact O-N 3.11Å; D1708-R1712 VanDerWaalsContact O-N 3.08Å; F1709-R1712 PolarHBondContact O-N 2.95Å; E1710-R1712 VanDerWaalsContact C-N 3.27Å; E1710-R1712 PolarHBondContact O-N 2.92Å; R1712-K1715 PolarHBondContact O-N 2.77Å; R1712-A1716 VanDerWaalsContact O-CB 3.26Å; R1712-A1716 WeakPolarHBondContact O-CB 3.22Å; R1712-A1716 PolarHBondContact O-N 3.09Å |
| 1713 | Y | 83.4 | Confident | 77.8 | Confident | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.016 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.3 | -46.1 | 176.4 | -170.6 | -89.5 | 0 | 0 | 0 | 110.9 | I1305 Y1689 L1692 F1709 E1710 A1716 F1717 D1732 P1734 | I1305-Y1713 HydrophobicContact CD1-CD2 4.46Å; Y1689-Y1713 AromaticContact CD2-CD1 3.72Å; Y1689-Y1713 HydrophobicContact CD2-CD1 3.72Å; Y1689-Y1713 HydrophobicContact CD2-CD2 4.09Å; Y1689-Y1713 AromaticContact CD2-CE1 3.84Å; Y1689-Y1713 HydrophobicContact CD2-CE1 3.84Å; Y1689-Y1713 HydrophobicContact CD2-CE2 4.2Å; Y1689-Y1713 AromaticContact CD2-CG 3.86Å; Y1689-Y1713 HydrophobicContact CD2-CG 3.86Å; Y1689-Y1713 HydrophobicContact CE2-CD1 4.43Å; Y1689-Y1713 HydrophobicContact CE2-CG 4.44Å; Y1689-Y1713 HydrophobicContact CG-CE1 4.34Å; Y1689-Y1713 PolarHBondContact N-OH 3.42Å; L1692-Y1713 HydrophobicContact CD1-CD2 4.4Å; L1692-Y1713 HydrophobicContact CD1-CE2 4Å; F1709-Y1713 HydrophobicContact CZ-CD2 4.42Å; F1709-Y1713 WeakPolarHBondContact O-CB 3.49Å; F1709-Y1713 PolarHBondContact O-N 2.94Å; E1710-Y1713 PolarHBondContact O-N 3.39Å; E1710-Y1713 VanDerWaalsContact O-N 3.15Å; Y1713-A1716 PolarHBondContact O-N 3.32Å; Y1713-F1717 VanDerWaalsContact O-CB 3.26Å; Y1713-F1717 WeakPolarHBondContact O-CB 3.28Å; Y1713-F1717 PolarHBondContact O-N 2.81Å; Y1713-D1732 PolarHBondContact OH-O 2.8Å; Y1713-P1734 HydrophobicContact CD1-CB 4.26Å; Y1713-P1734 HydrophobicContact CD1-CG 4Å; Y1713-P1734 HydrophobicContact CE1-CG 4.16Å |
| 1714 | E | 83.5 | Confident | 77.8 | Confident | 111 Ų | 111 | 52.7 Ų | 52.7 | 52% | 0.519 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.6 | -48 | 176.3 | -175.9 | 174.7 | -158.8 | 0 | 0 | 111.8 | E1710 A1716 F1717 G1718 P1734 | E1710-E1714 WeakPolarHBondContact O-CB 3.22Å; E1710-E1714 PolarHBondContact O-N 3Å; E1714-A1716 VanDerWaalsContact C-N 3.33Å; E1714-A1716 PolarHBondContact O-N 3.01Å; E1714-F1717 PolarHBondContact O-N 3.3Å; E1714-F1717 VanDerWaalsContact O-N 3.16Å; E1714-G1718 PolarHBondContact O-N 3.22Å; E1714-P1734 HydrophobicContact CB-CB 4.31Å; E1714-P1734 HydrophobicContact CB-CG 4.28Å; E1714-P1734 HydrophobicContact CG-CB 4.49Å; E1714-P1734 HydrophobicContact CG-CG 4.38Å |
| 1715 | K | 79.6 | Confident | 77.6 | Confident | 118 Ų | 118 | 53.3 Ų | 53.3 | 51% | 0.513 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.2 | -47.7 | 176.3 | -178.1 | 179.6 | -177.8 | 179.2 | 0 | 111.4 | A1711 R1712 F1717 G1718 L1719 | A1711-K1715 WeakPolarHBondContact O-CB 3.45Å; A1711-K1715 PolarHBondContact O-N 3.05Å; R1712-K1715 PolarHBondContact O-N 2.77Å; K1715-F1717 VanDerWaalsContact C-N 3.31Å; K1715-F1717 PolarHBondContact O-N 2.68Å; K1715-G1718 PolarHBondContact O-N 2.89Å; K1715-L1719 PolarHBondContact O-N 3.39Å |
| 1716 | A | 77.6 | Confident | 77.4 | Confident | 15 Ų | 15 | 56 Ų | 56 | 12% | 0.124 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110 | F1301 I1305 R1712 Y1713 E1714 G1718 L1719 | F1301-A1716 HydrophobicContact CD2-CB 4.16Å; F1301-A1716 WeakPolarHBondContact CD2-O 3.39Å; F1301-A1716 HydrophobicContact CE2-CB 3.54Å; F1301-A1716 WeakPolarHBondContact CE2-O 3.4Å; F1301-A1716 HydrophobicContact CZ-CB 4.45Å; I1305-A1716 HydrophobicContact CD1-CB 3.63Å; I1305-A1716 HydrophobicContact CG1-CB 3.42Å; I1305-A1716 VanDerWaalsContact CG1-CB 3.42Å; R1712-A1716 VanDerWaalsContact O-CB 3.26Å; R1712-A1716 WeakPolarHBondContact O-CB 3.22Å; R1712-A1716 PolarHBondContact O-N 3.09Å; Y1713-A1716 PolarHBondContact O-N 3.32Å; E1714-A1716 VanDerWaalsContact C-N 3.33Å; E1714-A1716 PolarHBondContact O-N 3.01Å; A1716-G1718 PolarHBondContact O-N 2.83Å; A1716-L1719 WeakPolarHBondContact O-CA 3.33Å; A1716-L1719 VanDerWaalsContact O-CB 3.28Å; A1716-L1719 WeakPolarHBondContact O-CB 3.43Å; A1716-L1719 PolarHBondContact O-N 3.24Å |
| 1717 | F | 80.8 | Confident | 77 | Confident | 25 Ų | 25 | 60 Ų | 60 | 11% | 0.11 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.1 | -37.7 | -179.2 | -178.4 | -88.6 | 0 | 0 | 0 | 110.3 | F1301 Y1713 E1714 K1715 L1719 L1720 V1725 L1728 Y1733 P1734 | F1301-F1717 HydrophobicContact CE2-CB 4.46Å; F1301-F1717 VanDerWaalsContact CE2-N 3.34Å; F1301-F1717 HydrophobicContact CZ-CB 4.29Å; Y1713-F1717 VanDerWaalsContact O-CB 3.26Å; Y1713-F1717 WeakPolarHBondContact O-CB 3.28Å; Y1713-F1717 PolarHBondContact O-N 2.81Å; E1714-F1717 PolarHBondContact O-N 3.3Å; E1714-F1717 VanDerWaalsContact O-N 3.16Å; K1715-F1717 VanDerWaalsContact C-N 3.31Å; K1715-F1717 PolarHBondContact O-N 2.68Å; F1717-L1719 PolarHBondContact O-N 3.08Å; F1717-L1720 HydrophobicContact CD2-CD1 3.69Å; F1717-L1720 HydrophobicContact CE2-CD1 4Å; F1717-L1720 HydrophobicContact CG-CD1 4.2Å; F1717-L1720 WeakPolarHBondContact O-CB 3.4Å; F1717-L1720 WeakPolarHBondContact O-CG 3.36Å; F1717-L1720 PolarHBondContact O-N 3.49Å; F1717-V1725 HydrophobicContact CE1-CG1 4.26Å; F1717-V1725 HydrophobicContact CZ-CG1 4.04Å; F1717-L1728 HydrophobicContact CE2-CD1 4.01Å; F1717-Y1733 HydrophobicContact CE1-CD1 4.03Å; F1717-Y1733 HydrophobicContact CE1-CE1 4.28Å; F1717-Y1733 HydrophobicContact CE1-CG 4.45Å; F1717-Y1733 HydrophobicContact CE2-CD1 4.37Å; F1717-Y1733 HydrophobicContact CE2-CD2 4.08Å; F1717-Y1733 HydrophobicContact CE2-CE2 4.42Å; F1717-Y1733 HydrophobicContact CE2-CG 4.04Å; F1717-Y1733 AromaticContact CZ-CD1 3.5Å; F1717-Y1733 HydrophobicContact CZ-CD1 3.5Å; F1717-Y1733 AromaticContact CZ-CD2 3.91Å; F1717-Y1733 HydrophobicContact CZ-CD2 3.91Å; F1717-Y1733 AromaticContact CZ-CE1 3.69Å; F1717-Y1733 HydrophobicContact CZ-CE1 3.69Å; F1717-Y1733 HydrophobicContact CZ-CE2 4.06Å; F1717-Y1733 AromaticContact CZ-CG 3.62Å; F1717-Y1733 HydrophobicContact CZ-CG 3.62Å; F1717-Y1733 AromaticContact CZ-CZ 3.97Å; F1717-P1734 HydrophobicContact CB-CG 3.88Å; F1717-P1734 HydrophobicContact CD1-CG 3.93Å; F1717-P1734 HydrophobicContact CD2-CG 4.39Å; F1717-P1734 HydrophobicContact CG-CG 3.82Å |
| 1718 | G | 79.7 | Confident | 76.8 | Confident | 63 Ų | 63 | 57.6 Ų | 57.6 | 65% | 0.649 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -15.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | E1714 K1715 A1716 L1720 | E1714-G1718 PolarHBondContact O-N 3.22Å; K1715-G1718 PolarHBondContact O-N 2.89Å; A1716-G1718 PolarHBondContact O-N 2.83Å; G1718-L1720 VanDerWaalsContact C-N 3.32Å |
| 1719 | L | 79.6 | Confident | 76.7 | Confident | 135 Ų | 135 | 55.4 Ų | 55.4 | 71% | 0.707 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -9.7 | 172.1 | -59.4 | 174 | 0 | 0 | 0 | 112.7 | K1715 A1716 F1717 G1721 | K1715-L1719 PolarHBondContact O-N 3.39Å; A1716-L1719 WeakPolarHBondContact O-CA 3.33Å; A1716-L1719 VanDerWaalsContact O-CB 3.28Å; A1716-L1719 WeakPolarHBondContact O-CB 3.43Å; A1716-L1719 PolarHBondContact O-N 3.24Å; F1717-L1719 PolarHBondContact O-N 3.08Å; L1719-G1721 PolarHBondContact O-N 3.29Å |
| 1720 | L | 74.3 | Confident | 76.5 | Confident | 10 Ų | 10 | 59.5 Ų | 59.5 | 5% | 0.052 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -68.8 | 127.2 | 174 | -66.3 | 170.5 | 0 | 0 | 0 | 109.5 | L1298 F1301 F1717 G1718 V1724 V1725 L1728 | L1298-L1720 HydrophobicContact CD1-CD2 4.45Å; F1301-L1720 HydrophobicContact CB-CD2 3.53Å; F1301-L1720 HydrophobicContact CD1-CD1 4.21Å; F1301-L1720 HydrophobicContact CD1-CD2 3.88Å; F1301-L1720 HydrophobicContact CD1-CG 4.35Å; F1301-L1720 HydrophobicContact CD2-CD1 4.33Å; F1301-L1720 HydrophobicContact CD2-CD2 3.79Å; F1301-L1720 HydrophobicContact CD2-CG 3.87Å; F1301-L1720 HydrophobicContact CE1-CD1 4.04Å; F1301-L1720 HydrophobicContact CE2-CD1 4.22Å; F1301-L1720 HydrophobicContact CE2-CD2 4.48Å; F1301-L1720 HydrophobicContact CE2-CG 4.14Å; F1301-L1720 HydrophobicContact CG-CD1 4.33Å; F1301-L1720 HydrophobicContact CG-CD2 3.45Å; F1301-L1720 VanDerWaalsContact CG-CD2 3.45Å; F1301-L1720 HydrophobicContact CG-CG 3.99Å; F1301-L1720 HydrophobicContact CZ-CD1 4.04Å; F1301-L1720 HydrophobicContact CZ-CG 4.44Å; F1717-L1720 HydrophobicContact CD2-CD1 3.69Å; F1717-L1720 HydrophobicContact CE2-CD1 4Å; F1717-L1720 HydrophobicContact CG-CD1 4.2Å; F1717-L1720 WeakPolarHBondContact O-CB 3.4Å; F1717-L1720 WeakPolarHBondContact O-CG 3.36Å; F1717-L1720 PolarHBondContact O-N 3.49Å; G1718-L1720 VanDerWaalsContact C-N 3.32Å; L1720-V1724 HydrophobicContact CD2-CG1 4.15Å; L1720-V1725 HydrophobicContact CB-CG2 3.81Å; L1720-L1728 HydrophobicContact CD1-CD1 3.57Å |
| 1721 | G | 74.2 | Confident | 76.3 | Confident | 24 Ų | 24 | 60 Ų | 60 | 25% | 0.247 | 35% | 0.348 | C | S | . | . | trans | -61.2 | 152.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1719 S1723 V1724 V1725 | L1719-G1721 PolarHBondContact O-N 3.29Å; G1721-S1723 PolarHBondContact O-N 3.11Å; G1721-V1724 PolarHBondContact O-N 3Å; G1721-V1725 PolarHBondContact O-N 3.31Å | ||
| 1722 | P | 72.9 | Confident | 76.5 | Confident | 118 Ų | 118 | 57.5 Ų | 57.5 | 77% | 0.766 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -15.4 | -177.9 | 23.3 | -33 | 0 | 0 | 0 | 114 | P1726 | P1722-P1726 WeakPolarHBondContact O-CD 3.15Å; P1722-P1726 WeakPolarHBondContact O-CG 3.28Å |
| 1723 | S | 69.5 | Low | 76.9 | Confident | 80 Ų | 80 | 55.8 Ų | 55.8 | 56% | 0.559 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -18.1 | 172.4 | 58.4 | 0 | 0 | 0 | 0 | 114.3 | G1721 K1727 | G1721-S1723 PolarHBondContact O-N 3.11Å; S1723-K1727 WeakPolarHBondContact O-CE 3.33Å |
| 1724 | V | 70.1 | Confident | 77 | Confident | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.024 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -41.5 | -177.6 | -175.3 | 0 | 0 | 0 | 0 | 111.1 | T1297 L1298 L1720 G1721 K1727 L1728 | T1297-V1724 HydrophobicContact CG2-CG2 4.15Å; L1298-V1724 HydrophobicContact CD1-CG1 3.86Å; L1720-V1724 HydrophobicContact CD2-CG1 4.15Å; G1721-V1724 PolarHBondContact O-N 3Å; V1724-K1727 WeakPolarHBondContact O-CB 3.37Å; V1724-K1727 PolarHBondContact O-N 3.16Å; V1724-L1728 PolarHBondContact O-N 2.79Å |
| 1725 | V | 70.6 | Confident | 77.2 | Confident | 35 Ų | 35 | 52.7 Ų | 52.7 | 21% | 0.212 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -53.4 | -49.9 | -175 | 175.7 | 0 | 0 | 0 | 0 | 112.6 | F1717 L1720 G1721 K1727 L1728 Y1733 | F1717-V1725 HydrophobicContact CE1-CG1 4.26Å; F1717-V1725 HydrophobicContact CZ-CG1 4.04Å; L1720-V1725 HydrophobicContact CB-CG2 3.81Å; G1721-V1725 PolarHBondContact O-N 3.31Å; V1725-K1727 PolarHBondContact O-N 2.95Å; V1725-K1727 VanDerWaalsContact O-N 3.13Å; V1725-L1728 PolarHBondContact O-N 2.91Å; V1725-L1728 VanDerWaalsContact O-N 3.09Å; V1725-Y1733 HydrophobicContact CG1-CE1 4.04Å; V1725-Y1733 WeakPolarHBondContact CG1-OH 3.05Å; V1725-Y1733 PolarHBondContact O-OH 3.11Å |
| 1726 | P | 71.7 | Confident | 77.6 | Confident | 100 Ų | 100 | 50.2 Ų | 50.2 | 65% | 0.649 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -66.5 | -16.3 | -179.9 | -19.6 | 33.2 | 0 | 0 | 0 | 114.6 | P1722 | P1722-P1726 WeakPolarHBondContact O-CD 3.15Å; P1722-P1726 WeakPolarHBondContact O-CG 3.28Å |
| 1727 | K | 72.3 | Confident | 78 | Confident | 103 Ų | 103 | 54 Ų | 54 | 45% | 0.448 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -86.1 | -13.4 | 177.8 | -59.8 | -174.5 | -177.1 | -177.8 | 0 | 112.4 | D1291 S1723 V1724 V1725 | D1291-K1727 IonicContact OD1-NZ 2.68Å; D1291-K1727 PolarHBondContact OD1-NZ 3.34Å; S1723-K1727 WeakPolarHBondContact O-CE 3.33Å; V1724-K1727 WeakPolarHBondContact O-CB 3.37Å; V1724-K1727 PolarHBondContact O-N 3.16Å; V1725-K1727 PolarHBondContact O-N 2.95Å; V1725-K1727 VanDerWaalsContact O-N 3.13Å |
| 1728 | L | 71.4 | Confident | 78.4 | Confident | 16 Ų | 16 | 53.9 Ų | 53.9 | 8% | 0.084 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -82.5 | 138.2 | 177 | -79.6 | 168.4 | 0 | 0 | 0 | 111.1 | L1298 F1717 L1720 V1724 V1725 D1732 Y1733 | L1298-L1728 HydrophobicContact CD1-CD1 3.91Å; L1298-L1728 HydrophobicContact CD1-CD2 3.67Å; L1298-L1728 HydrophobicContact CD1-CG 4.03Å; F1717-L1728 HydrophobicContact CE2-CD1 4.01Å; L1720-L1728 HydrophobicContact CD1-CD1 3.57Å; V1724-L1728 PolarHBondContact O-N 2.79Å; V1725-L1728 PolarHBondContact O-N 2.91Å; V1725-L1728 VanDerWaalsContact O-N 3.09Å; L1728-D1732 HydrophobicContact CD2-CB 4.4Å; L1728-Y1733 HydrophobicContact CB-CE2 3.9Å; L1728-Y1733 WeakPolarHBondContact O-CE2 3.47Å |
| 1729 | P | 75.4 | Confident | 78.9 | Confident | 32 Ų | 32 | 50.9 Ų | 50.9 | 21% | 0.208 | 30% | 0.295 | C | S | . | . | trans | -62.2 | 143.3 | 169.6 | -21.4 | 33.2 | 0 | 0 | 0 | 112.1 | H1731 D1732 Y1733 | P1729-H1731 WeakPolarHBondContact CB-CE1 3.12Å; P1729-H1731 PolarHBondContact O-N 3.46Å; P1729-D1732 WeakPolarHBondContact O-CB 3.33Å; P1729-D1732 PolarHBondContact O-N 3.47Å; P1729-Y1733 VanDerWaalsContact O-CD2 3.31Å; P1729-Y1733 WeakPolarHBondContact O-CD2 3.5Å | ||
| 1730 | D | 78.9 | Confident | 79.4 | Confident | 92 Ų | 92 | 45.3 Ų | 45.3 | 49% | 0.492 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -52.9 | -28.2 | -179.4 | -67.6 | -5.5 | 0 | 0 | 0 | 114.4 | F1402 D1732 Y1733 | F1402-D1730 HydrophobicContact CD1-CB 4.1Å; D1730-D1732 VanDerWaalsContact C-N 3.27Å; D1730-D1732 PolarHBondContact O-N 3.49Å; D1730-Y1733 WeakPolarHBondContact O-CB 3.21Å; D1730-Y1733 PolarHBondContact O-N 3.3Å |
| 1731 | H | 80.2 | Confident | 80 | Confident | 19 Ų | 19 | 44.9 Ų | 44.9 | 9% | 0.088 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -78.5 | -6.1 | 180 | 60.5 | -98.4 | 0 | 0 | 0 | 114.2 | V1378 F1402 H1685 S1687 P1729 | V1378-H1731 HydrophobicContact CG1-CB 3.88Å; F1402-H1731 HydrophobicContact CD1-CB 3.86Å; F1402-H1731 HydrophobicContact CE1-CB 3.57Å; F1402-H1731 HydrophobicContact CE2-CB 4.42Å; F1402-H1731 HydrophobicContact CG-CB 4.41Å; F1402-H1731 HydrophobicContact CZ-CB 3.88Å; H1685-H1731 AromaticContact CD2-NE2 3.45Å; H1685-H1731 PolarHBondContact CD2-NE2 3.06Å; H1685-H1731 AromaticContact NE2-NE2 3.54Å; H1685-H1731 PolarHBondContact O-NE2 3.47Å; S1687-H1731 VanDerWaalsContact CB-O 3.28Å; S1687-H1731 WeakPolarHBondContact CB-O 3.32Å; S1687-H1731 PolarHBondContact OG-O 2.86Å; P1729-H1731 WeakPolarHBondContact CB-CE1 3.12Å; P1729-H1731 PolarHBondContact O-N 3.46Å |
| 1732 | D | 83 | Confident | 80.8 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -92.2 | -4.6 | 170 | -69 | -31 | 0 | 0 | 0 | 112.5 | H1685 S1687 M1688 Y1713 L1728 P1729 D1730 | H1685-D1732 IonicContact CD2-OD2 3.68Å; H1685-D1732 IonicContact CE1-OD2 3.98Å; H1685-D1732 IonicContact NE2-OD1 3.58Å; H1685-D1732 IonicContact NE2-OD2 2.65Å; H1685-D1732 PolarHBondContact NE2-OD2 3.01Å; S1687-D1732 WeakPolarHBondContact CA-OD1 3.47Å; M1688-D1732 HydrophobicContact CB-CB 4.46Å; M1688-D1732 WeakPolarHBondContact CB-OD1 3.39Å; M1688-D1732 PolarHBondContact N-OD1 3.33Å; Y1713-D1732 PolarHBondContact OH-O 2.8Å; L1728-D1732 HydrophobicContact CD2-CB 4.4Å; P1729-D1732 WeakPolarHBondContact O-CB 3.33Å; P1729-D1732 PolarHBondContact O-N 3.47Å; D1730-D1732 VanDerWaalsContact C-N 3.27Å; D1730-D1732 PolarHBondContact O-N 3.49Å |
| 1733 | Y | 86.1 | Confident | 81.6 | Confident | 66 Ų | 66 | 39.4 Ų | 39.4 | 26% | 0.259 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -75.1 | 158.3 | 180 | -74.3 | -132.3 | 0 | 0 | 0 | 110.1 | F1717 V1725 L1728 P1729 D1730 | F1717-Y1733 HydrophobicContact CE1-CD1 4.03Å; F1717-Y1733 HydrophobicContact CE1-CE1 4.28Å; F1717-Y1733 HydrophobicContact CE1-CG 4.45Å; F1717-Y1733 HydrophobicContact CE2-CD1 4.37Å; F1717-Y1733 HydrophobicContact CE2-CD2 4.08Å; F1717-Y1733 HydrophobicContact CE2-CE2 4.42Å; F1717-Y1733 HydrophobicContact CE2-CG 4.04Å; F1717-Y1733 AromaticContact CZ-CD1 3.5Å; F1717-Y1733 HydrophobicContact CZ-CD1 3.5Å; F1717-Y1733 AromaticContact CZ-CD2 3.91Å; F1717-Y1733 HydrophobicContact CZ-CD2 3.91Å; F1717-Y1733 AromaticContact CZ-CE1 3.69Å; F1717-Y1733 HydrophobicContact CZ-CE1 3.69Å; F1717-Y1733 HydrophobicContact CZ-CE2 4.06Å; F1717-Y1733 AromaticContact CZ-CG 3.62Å; F1717-Y1733 HydrophobicContact CZ-CG 3.62Å; F1717-Y1733 AromaticContact CZ-CZ 3.97Å; V1725-Y1733 HydrophobicContact CG1-CE1 4.04Å; V1725-Y1733 WeakPolarHBondContact CG1-OH 3.05Å; V1725-Y1733 PolarHBondContact O-OH 3.11Å; L1728-Y1733 HydrophobicContact CB-CE2 3.9Å; L1728-Y1733 WeakPolarHBondContact O-CE2 3.47Å; P1729-Y1733 VanDerWaalsContact O-CD2 3.31Å; P1729-Y1733 WeakPolarHBondContact O-CD2 3.5Å; D1730-Y1733 WeakPolarHBondContact O-CB 3.21Å; D1730-Y1733 PolarHBondContact O-N 3.3Å |
| 1734 | P | 85.4 | Confident | 82.3 | Confident | 32 Ų | 32 | 37.3 Ų | 37.3 | 21% | 0.208 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -53.7 | 143.7 | 168.8 | -22.3 | 32.5 | 0 | 0 | 0 | 110.8 | Y1713 E1714 F1717 | Y1713-P1734 HydrophobicContact CD1-CB 4.26Å; Y1713-P1734 HydrophobicContact CD1-CG 4Å; Y1713-P1734 HydrophobicContact CE1-CG 4.16Å; E1714-P1734 HydrophobicContact CB-CB 4.31Å; E1714-P1734 HydrophobicContact CB-CG 4.28Å; E1714-P1734 HydrophobicContact CG-CB 4.49Å; E1714-P1734 HydrophobicContact CG-CG 4.38Å; F1717-P1734 HydrophobicContact CB-CG 3.88Å; F1717-P1734 HydrophobicContact CD1-CG 3.93Å; F1717-P1734 HydrophobicContact CD2-CG 4.39Å; F1717-P1734 HydrophobicContact CG-CG 3.82Å |
| 1735 | P | 87.6 | Confident | 83.1 | Confident | 18 Ų | 18 | 37.4 Ų | 37.4 | 12% | 0.117 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -60.5 | 148.2 | 179.3 | 26 | -34.9 | 0 | 0 | 0 | 111.1 | Y1689 E1710 A1739 I1740 | Y1689-P1735 HydrophobicContact CE1-CG 4.17Å; Y1689-P1735 HydrophobicContact CE2-CG 4.11Å; E1710-P1735 HydrophobicContact CG-CG 4.39Å; P1735-A1739 HydrophobicContact CB-CB 4.44Å; P1735-I1740 HydrophobicContact CB-CG1 4.14Å; P1735-I1740 HydrophobicContact CG-CD1 4.07Å; P1735-I1740 HydrophobicContact CG-CG1 3.79Å |
| 1736 | S | 88 | Confident | 83.9 | Confident | 66 Ų | 66 | 36.2 Ų | 36.2 | 46% | 0.462 | 19% | 0.192 | S | C | . | . | P | Polyproline II helix | trans | -63.4 | 151.8 | 177.9 | 74.1 | 0 | 0 | 0 | 0 | 111.6 | A1738 A1739 I1740 | S1736-A1738 PolarHBondContact O-N 3.07Å; S1736-A1738 VanDerWaalsContact O-N 3.14Å; S1736-A1739 WeakPolarHBondContact O-CA 3.37Å; S1736-A1739 WeakPolarHBondContact O-CB 3.46Å; S1736-A1739 PolarHBondContact O-N 3.5Å; S1736-A1739 WeakPolarHBondContact OG-CB 3.13Å; S1736-A1739 PolarHBondContact OG-N 3.01Å; S1736-I1740 WeakPolarHBondContact O-CG1 3.3Å; S1736-I1740 PolarHBondContact O-N 2.97Å |
| 1737 | K | 86.3 | Confident | 84.7 | Confident | 96 Ų | 96 | 31.5 Ų | 31.5 | 42% | 0.417 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -52.6 | -37.5 | 175.6 | -68.1 | 177.8 | 176.8 | 172.1 | 0 | 112.6 | A774 E1324 L1325 I1740 A1741 | A774-K1737 HydrophobicContact CB-CB 4.18Å; E1324-K1737 IonicContact OE1-NZ 2.78Å; E1324-K1737 PolarHBondContact OE1-NZ 3.07Å; E1324-K1737 VanDerWaalsContact OE1-NZ 3.16Å; E1324-K1737 IonicContact OE2-NZ 3.88Å; E1324-K1737 PolarHBondContact OE2-NZ 3.06Å; L1325-K1737 HydrophobicContact CD1-CB 4.28Å; K1737-I1740 PolarHBondContact O-N 3Å; K1737-A1741 WeakPolarHBondContact O-CB 3.5Å; K1737-A1741 PolarHBondContact O-N 3.48Å |
| 1738 | A | 88.7 | Confident | 85.3 | Confident | 22 Ų | 22 | 28 Ų | 28 | 18% | 0.182 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65 | -43.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A774 A1387 S1736 A1741 C1742 | A774-A1738 HydrophobicContact CB-CB 3.81Å; A1387-A1738 HydrophobicContact CB-CB 3.76Å; S1736-A1738 PolarHBondContact O-N 3.07Å; S1736-A1738 VanDerWaalsContact O-N 3.14Å; A1738-A1741 PolarHBondContact O-N 3.44Å; A1738-C1742 WeakPolarHBondContact O-CB 3.2Å; A1738-C1742 PolarHBondContact O-N 3.4Å; A1738-C1742 PolarHBondContact O-SG 3.13Å |
| 1739 | A | 90.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.7 | -37 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | N1383 E1384 A1387 P1735 S1736 R1743 | N1383-A1739 WeakPolarHBondContact CB-O 3.02Å; N1383-A1739 WeakPolarHBondContact ND2-CB 3.14Å; N1383-A1739 PolarHBondContact ND2-O 3.34Å; N1383-A1739 VanDerWaalsContact ND2-O 3.11Å; E1384-A1739 HydrophobicContact CG-CB 4.27Å; A1387-A1739 HydrophobicContact CB-CB 4.3Å; P1735-A1739 HydrophobicContact CB-CB 4.44Å; S1736-A1739 WeakPolarHBondContact O-CA 3.37Å; S1736-A1739 WeakPolarHBondContact O-CB 3.46Å; S1736-A1739 PolarHBondContact O-N 3.5Å; S1736-A1739 WeakPolarHBondContact OG-CB 3.13Å; S1736-A1739 PolarHBondContact OG-N 3.01Å; A1739-R1743 PolarHBondContact O-N 3.07Å; A1739-R1743 VanDerWaalsContact O-N 3.15Å |
| 1740 | I | 89.2 | Confident | 86.6 | Confident | 18 Ų | 18 | 26.3 Ų | 26.3 | 9% | 0.092 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.4 | -47.6 | 173.4 | -63.2 | 170.9 | 0 | 0 | 0 | 110.3 | L1325 P1735 S1736 K1737 C1742 R1743 R1744 | L1325-I1740 HydrophobicContact CD1-CB 4.32Å; L1325-I1740 HydrophobicContact CD1-CG2 4.11Å; P1735-I1740 HydrophobicContact CB-CG1 4.14Å; P1735-I1740 HydrophobicContact CG-CD1 4.07Å; P1735-I1740 HydrophobicContact CG-CG1 3.79Å; S1736-I1740 WeakPolarHBondContact O-CG1 3.3Å; S1736-I1740 PolarHBondContact O-N 2.97Å; K1737-I1740 PolarHBondContact O-N 3Å; I1740-C1742 PolarHBondContact O-N 3.24Å; I1740-R1743 WeakPolarHBondContact O-CB 3.4Å; I1740-R1743 PolarHBondContact O-N 2.93Å; I1740-R1743 VanDerWaalsContact O-N 3.17Å; I1740-R1744 HydrophobicContact CG2-CG 4.45Å; I1740-R1744 WeakPolarHBondContact O-CG 3.49Å; I1740-R1744 PolarHBondContact O-N 2.8Å; I1740-R1744 VanDerWaalsContact O-N 3.11Å |
| 1741 | A | 88.3 | Confident | 86.6 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.3 | -46.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A778 L1325 F1332 K1737 A1738 R1743 R1744 V1745 | A778-A1741 VanDerWaalsContact CB-C 3.46Å; A778-A1741 HydrophobicContact CB-CB 3.65Å; L1325-A1741 HydrophobicContact CD2-CB 4.13Å; F1332-A1741 HydrophobicContact CZ-CB 4.47Å; K1737-A1741 WeakPolarHBondContact O-CB 3.5Å; K1737-A1741 PolarHBondContact O-N 3.48Å; A1738-A1741 PolarHBondContact O-N 3.44Å; A1741-R1743 VanDerWaalsContact C-N 3.26Å; A1741-R1743 PolarHBondContact O-N 3.11Å; A1741-R1744 PolarHBondContact O-N 3.07Å; A1741-V1745 PolarHBondContact O-N 2.99Å |
| 1742 | C | 90.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.7 | -33.3 | 176.2 | -71.7 | 0 | 0 | 0 | 0 | 112.6 | M1386 A1738 I1740 V1745 F1746 | M1386-C1742 HydrophobicContact CB-CB 4.13Å; M1386-C1742 HydrophobicContact CE-CB 4.24Å; A1738-C1742 WeakPolarHBondContact O-CB 3.2Å; A1738-C1742 PolarHBondContact O-N 3.4Å; A1738-C1742 PolarHBondContact O-SG 3.13Å; I1740-C1742 PolarHBondContact O-N 3.24Å; C1742-V1745 WeakPolarHBondContact O-CG2 3.31Å; C1742-F1746 WeakPolarHBondContact O-CD2 3.43Å |
| 1743 | R | 88.8 | Confident | 86.3 | Confident | 27 Ų | 27 | 28.7 Ų | 28.7 | 10% | 0.102 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68 | -42.7 | 175.6 | -175.5 | -178.3 | 65.5 | 68.8 | 1.4 | 111.8 | N1383 E1710 A1739 I1740 A1741 | N1383-R1743 HydrophobicContact CB-CB 4.05Å; E1710-R1743 IonicContact OE1-CZ 2.88Å; E1710-R1743 VanDerWaalsContact OE1-CZ 3.26Å; E1710-R1743 IonicContact OE1-NE 3.98Å; E1710-R1743 PolarHBondContact OE1-NE 2.84Å; E1710-R1743 IonicContact OE1-NH2 3.21Å; E1710-R1743 PolarHBondContact OE1-NH2 2.82Å; E1710-R1743 IonicContact OE2-CZ 2.75Å; E1710-R1743 IonicContact OE2-NE 3.2Å; E1710-R1743 IonicContact OE2-NH2 2.87Å; E1710-R1743 PolarHBondContact OE2-NH2 3.36Å; A1739-R1743 PolarHBondContact O-N 3.07Å; A1739-R1743 VanDerWaalsContact O-N 3.15Å; I1740-R1743 WeakPolarHBondContact O-CB 3.4Å; I1740-R1743 PolarHBondContact O-N 2.93Å; I1740-R1743 VanDerWaalsContact O-N 3.17Å; A1741-R1743 VanDerWaalsContact C-N 3.26Å; A1741-R1743 PolarHBondContact O-N 3.11Å |
| 1744 | R | 85.3 | Confident | 86.3 | Confident | 37 Ų | 37 | 26.7 Ų | 26.7 | 14% | 0.14 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -73.6 | -24.8 | -171.3 | -69.8 | -176.4 | -173.9 | -157 | 0.4 | 114.5 | F1332 E1707 I1740 A1741 | F1332-R1744 HydrophobicContact CB-CB 4.5Å; F1332-R1744 HydrophobicContact CD1-CB 3.3Å; F1332-R1744 HydrophobicContact CD1-CG 4.42Å; F1332-R1744 HydrophobicContact CE1-CB 3.64Å; F1332-R1744 HydrophobicContact CG-CB 4.13Å; E1707-R1744 WeakPolarHBondContact OE1-CD 3.32Å; E1707-R1744 IonicContact OE1-CZ 3.16Å; E1707-R1744 IonicContact OE1-NE 3.87Å; E1707-R1744 PolarHBondContact OE1-NE 3.42Å; E1707-R1744 IonicContact OE1-NH1 3.9Å; E1707-R1744 PolarHBondContact OE1-NH1 2.95Å; E1707-R1744 IonicContact OE1-NH2 3.91Å; E1707-R1744 IonicContact OE2-CZ 2.97Å; E1707-R1744 IonicContact OE2-NH1 2.66Å; E1707-R1744 IonicContact OE2-NH2 3.62Å; I1740-R1744 HydrophobicContact CG2-CG 4.45Å; I1740-R1744 WeakPolarHBondContact O-CG 3.49Å; I1740-R1744 PolarHBondContact O-N 2.8Å; I1740-R1744 VanDerWaalsContact O-N 3.11Å; A1741-R1744 PolarHBondContact O-N 3.07Å |
| 1745 | V | 85.9 | Confident | 86.3 | Confident | 5 Ų | 5 | 26.4 Ų | 26.4 | 3% | 0.03 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -16.9 | -178.8 | -68.2 | 0 | 0 | 0 | 0 | 114.4 | A778 L782 F1332 A1741 C1742 | A778-V1745 HydrophobicContact CB-CG1 4.19Å; A778-V1745 HydrophobicContact CB-CG2 4.24Å; L782-V1745 HydrophobicContact CB-CB 4.17Å; L782-V1745 HydrophobicContact CB-CG2 4.32Å; L782-V1745 HydrophobicContact CD2-CB 3.99Å; L782-V1745 HydrophobicContact CD2-CG1 4.33Å; L782-V1745 HydrophobicContact CG-CB 4.43Å; F1332-V1745 HydrophobicContact CD1-CG1 3.92Å; F1332-V1745 HydrophobicContact CE1-CG1 3.57Å; A1741-V1745 PolarHBondContact O-N 2.99Å; C1742-V1745 WeakPolarHBondContact O-CG2 3.31Å |
| 1746 | F | 89 | Confident | 86.3 | Confident | 11 Ų | 11 | 26.9 Ų | 26.9 | 5% | 0.048 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -113.3 | 161.4 | -178.1 | -66.3 | -68.3 | 0 | 0 | 0 | 112 | L782 A785 M1386 L1546 R1587 L1588 C1742 | L782-F1746 HydrophobicContact CB-CZ 4.48Å; L782-F1746 HydrophobicContact CD1-CD1 4.08Å; L782-F1746 HydrophobicContact CD1-CE1 3.77Å; L782-F1746 HydrophobicContact CD1-CZ 4.38Å; A785-F1746 HydrophobicContact CB-CE1 3.82Å; A785-F1746 HydrophobicContact CB-CZ 4.25Å; M1386-F1746 HydrophobicContact CE-CD2 4.14Å; M1386-F1746 HydrophobicContact CE-CE2 4.33Å; M1386-F1746 HydrophobicContact SD-CD2 4.14Å; M1386-F1746 HydrophobicContact SD-CE2 3.76Å; L1546-F1746 HydrophobicContact CD1-CZ 4.44Å; R1587-F1746 HydrophobicContact CB-CB 4.37Å; R1587-F1746 HydrophobicContact CB-CD1 4.21Å; L1588-F1746 HydrophobicContact CD2-CD1 4.23Å; L1588-F1746 HydrophobicContact CD2-CE1 4.12Å; C1742-F1746 WeakPolarHBondContact O-CD2 3.43Å |
| 1747 | I | 87 | Confident | 86.2 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | P | Polyproline II helix | trans | -57.2 | 136.2 | 172.3 | -66 | 177.3 | 0 | 0 | 0 | 109.5 | V1339 M1342 L1343 Y1427 R1587 | V1339-I1747 HydrophobicContact CG1-CD1 4.37Å; V1339-I1747 HydrophobicContact CG1-CG1 4.31Å; V1339-I1747 HydrophobicContact CG1-CG2 3.93Å; M1342-I1747 HydrophobicContact CE-CD1 3.82Å; M1342-I1747 HydrophobicContact CE-CG1 3.98Å; M1342-I1747 HydrophobicContact SD-CD1 3.93Å; M1342-I1747 HydrophobicContact SD-CG1 4.01Å; L1343-I1747 HydrophobicContact CD1-CD1 4.39Å; L1343-I1747 HydrophobicContact CD2-CD1 3.88Å; L1343-I1747 HydrophobicContact CG-CD1 4.05Å; Y1427-I1747 HydrophobicContact CE1-CG2 3.81Å; R1587-I1747 PolarHBondContact NE-O 3.06Å; R1587-I1747 PolarHBondContact NH2-O 3.27Å; R1587-I1747 WeakPolarHBondContact O-CB 3.46Å; R1587-I1747 WeakPolarHBondContact O-CG1 3.2Å; R1587-I1747 PolarHBondContact O-N 3.23Å |
| 1748 | P | 85.7 | Confident | 86.2 | Confident | 29 Ų | 29 | 19.7 Ų | 19.7 | 19% | 0.188 | 10% | 0.102 | C | C | . | . | P | Polyproline II helix | trans | -60.4 | 146.7 | 179.2 | -23.6 | 33.5 | 0 | 0 | 0 | 113.2 | W1426 Y1427 | W1426-P1748 HydrophobicContact CZ2-CG 4.38Å; Y1427-P1748 PolarHBondContact OH-O 3.28Å |
| 1749 | L | 88.8 | Confident | 86 | Confident | 7 Ų | 7 | 19.5 Ų | 19.5 | 4% | 0.037 | 10% | 0.097 | C | C | . | . | P | Polyproline II helix | trans | -75.3 | 151.4 | 173.2 | -64.5 | 177 | 0 | 0 | 0 | 111.1 | D1382 R1587 C1629 | D1382-L1749 HydrophobicContact CB-CD1 4.17Å; D1382-L1749 VanDerWaalsContact CG-CD1 3.48Å; D1382-L1749 WeakPolarHBondContact OD1-CD1 3.43Å; R1587-L1749 VanDerWaalsContact NH1-CD2 3.3Å; C1629-L1749 HydrophobicContact CB-CD2 3.34Å |
| 1750 | D | 85.3 | Confident | 85.6 | Confident | 6 Ų | 6 | 21 Ų | 21 | 3% | 0.032 | 10% | 0.104 | C | C | . | . | B | Isolated β-bridge | trans | -82.2 | 161.6 | 170.2 | -77.1 | -20.1 | 0 | 0 | 0 | 111.6 | S1425 W1426 Y1427 C1629 V1630 H1631 | S1425-D1750 VanDerWaalsContact CA-OD1 3.31Å; S1425-D1750 WeakPolarHBondContact CA-OD1 3.35Å; S1425-D1750 VanDerWaalsContact CA-OD2 3.25Å; S1425-D1750 WeakPolarHBondContact CA-OD2 3.35Å; S1425-D1750 WeakPolarHBondContact CB-OD2 3.26Å; S1425-D1750 PolarHBondContact OG-OD2 2.95Å; W1426-D1750 VanDerWaalsContact CD1-OD1 3.29Å; W1426-D1750 PolarHBondContact N-OD1 3.43Å; Y1427-D1750 WeakPolarHBondContact CD2-OD2 3.44Å; C1629-D1750 PolarHBondContact O-N 3.37Å; V1630-D1750 CarbonylContact C-O 3.6Å; V1630-D1750 VanDerWaalsContact CA-O 3.22Å; V1630-D1750 WeakPolarHBondContact CA-O 3.1Å; V1630-D1750 HydrophobicContact CG1-CB 4.1Å; H1631-D1750 PolarHBondContact N-O 3.09Å |
| 1751 | I | 78.1 | Confident | 85.3 | Confident | 30 Ų | 30 | 21.3 Ų | 21.3 | 15% | 0.154 | 11% | 0.105 | C | C | . | . | P | Polyproline II helix | trans | -97.6 | 145.1 | 159.1 | -62.7 | -173.3 | 0 | 0 | 0 | 107.6 | Y1646 F1694 L1697 | Y1646-I1751 HydrophobicContact CD2-CG2 4.2Å; Y1646-I1751 HydrophobicContact CE2-CG2 4.08Å; F1694-I1751 HydrophobicContact CB-CD1 3.83Å; F1694-I1751 HydrophobicContact CD1-CD1 3.81Å; F1694-I1751 HydrophobicContact CD1-CG1 4.41Å; F1694-I1751 HydrophobicContact CG-CD1 4.09Å; F1694-I1751 WeakPolarHBondContact O-CD1 3.45Å; L1697-I1751 HydrophobicContact CB-CD1 3.23Å; L1697-I1751 HydrophobicContact CB-CG1 4.15Å; L1697-I1751 HydrophobicContact CD1-CD1 3.76Å; L1697-I1751 HydrophobicContact CD1-CG1 4.19Å; L1697-I1751 HydrophobicContact CG-CD1 4.13Å |
| 1752 | I | 71.2 | Confident | 85.1 | Confident | 102 Ų | 102 | 23.2 Ų | 23.2 | 52% | 0.523 | 11% | 0.114 | S | C | . | . | trans | -59.9 | 0 | -178.1 | -73.2 | -169.7 | 0 | 0 | 0 | 112.9 | V1366 V1630 D1632 M1633 | V1366-I1752 HydrophobicContact CG1-CD1 4.45Å; V1630-I1752 HydrophobicContact CB-CG1 4.02Å; V1630-I1752 HydrophobicContact CG1-CG1 3.93Å; V1630-I1752 HydrophobicContact CG2-CD1 4.24Å; V1630-I1752 HydrophobicContact CG2-CG1 4.07Å; D1632-I1752 WeakPolarHBondContact O-CD1 3.4Å; D1632-I1752 WeakPolarHBondContact O-CG1 3.38Å; M1633-I1752 HydrophobicContact CB-CD1 4.03Å; M1633-I1752 HydrophobicContact CG-CD1 3.89Å |
Retrieved 1,752 of 1,752 residues in 2662.6 ms
(Link to these results)