| 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 | 25.5 | Very low | 51.6 | Low | 219 Ų | 219 | 77.4 Ų | 77.4 | 100% | 1.079 | 41% | 0.413 | S | S | * | . | 0 | 135.1 | 0 | -70.4 | 159.7 | 166.9 | 0 | 0 | 107.9 | N1052 | M1-N1052 PolarHBondContact O-ND2 3.11Å; M1-N1052 PolarHBondContact O-OD1 2.63Å | |||
| 2 | K | 26.3 | Very low | 54.6 | Low | 107 Ų | 107 | 71.8 Ų | 71.8 | 47% | 0.465 | 38% | 0.382 | S | S | . | . | trans | -70.9 | 134.9 | 165.9 | -93.8 | -172.3 | 169.2 | 177.7 | 0 | 107.8 | Q4 N1052 A1054 | K2-Q4 PolarHBondContact O-N 3Å; K2-Q4 VanDerWaalsContact O-N 3.11Å; K2-N1052 WeakPolarHBondContact CA-OD1 3.29Å; K2-N1052 HydrophobicContact CG-CB 3.76Å; K2-N1052 PolarHBondContact N-OD1 3.14Å; K2-N1052 VanDerWaalsContact N-OD1 3.11Å; K2-A1054 HydrophobicContact CD-CB 4.21Å; K2-A1054 PolarHBondContact NZ-O 2.84Å | ||
| 3 | T | 26.6 | Very low | 57.4 | Low | 112 Ų | 112 | 66.5 Ų | 66.5 | 69% | 0.687 | 35% | 0.354 | S | S | * | . | trans | -53.4 | 116.3 | 154.5 | 39.2 | 0 | 0 | 0 | 0 | 106.8 | S5 | T3-S5 PolarHBondContact O-N 3.36Š| ||
| 4 | Q | 28.4 | Very low | 59.9 | Low | 92 Ų | 92 | 61.8 Ų | 61.8 | 43% | 0.43 | 33% | 0.329 | S | S | . | . | trans | -67.3 | 104.8 | 167.1 | -72.9 | 172.6 | -0.8 | 0 | 0 | 105.3 | K2 L6 N230 | K2-Q4 PolarHBondContact O-N 3Å; K2-Q4 VanDerWaalsContact O-N 3.11Å; Q4-L6 PolarHBondContact O-N 3.14Å; Q4-N230 PolarHBondContact NE2-OD1 3.33Å; Q4-N230 PolarHBondContact OE1-ND2 2.94Å; Q4-N230 PolarHBondContact OE1-OD1 3.04Å | ||
| 5 | S | 41.2 | Very low | 62.2 | Low | 107 Ų | 107 | 57.7 Ų | 57.7 | 75% | 0.748 | 31% | 0.307 | S | S | * | . | trans | -61.6 | 118.4 | 162.8 | 50.2 | 0 | 0 | 0 | 0 | 106.3 | T3 | T3-S5 PolarHBondContact O-N 3.36Š| ||
| 6 | L | 43.2 | Very low | 64.3 | Low | 58 Ų | 58 | 56.1 Ų | 56.1 | 30% | 0.304 | 30% | 0.298 | S | S | . | . | trans | -45.2 | 138.2 | 171.2 | -75 | 92.6 | 0 | 0 | 0 | 108.5 | Q4 E8 V227 D228 | Q4-L6 PolarHBondContact O-N 3.14Å; L6-E8 PolarHBondContact O-N 2.89Å; L6-V227 WeakPolarHBondContact CD2-O 3.49Å; L6-V227 VanDerWaalsContact CG-O 3.27Å; L6-V227 WeakPolarHBondContact CG-O 3.37Å; L6-D228 WeakPolarHBondContact CG-OD1 3.41Å | ||
| 7 | P | 52.6 | Low | 66.1 | Low | 56 Ų | 56 | 52.8 Ų | 52.8 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | trans | -55.5 | 132.5 | -178 | 26.3 | -32 | 0 | 0 | 0 | 108.3 | R9 V227 | P7-R9 VanDerWaalsContact O-CG 3.31Å; P7-R9 WeakPolarHBondContact O-CG 3.36Å; P7-R9 PolarHBondContact O-N 3.31Å; P7-V227 WeakPolarHBondContact CD-O 3.43Å; P7-V227 HydrophobicContact CG-CG2 3.71Å | ||
| 8 | E | 69.2 | Low | 67.7 | Low | 77 Ų | 77 | 49.9 Ų | 49.9 | 36% | 0.36 | 27% | 0.265 | S | S | . | . | trans | -56.5 | 131 | 179.6 | -58 | 177.4 | 139.9 | 0 | 0 | 108.3 | L6 W407 F448 R469 | L6-E8 PolarHBondContact O-N 2.89Å; E8-W407 HydrophobicContact CG-CZ2 4.32Å; E8-F448 HydrophobicContact CB-CB 4.08Å; E8-F448 HydrophobicContact CB-CD1 3.33Å; E8-F448 HydrophobicContact CB-CD2 4.04Å; E8-F448 HydrophobicContact CB-CE1 3.64Å; E8-F448 HydrophobicContact CB-CE2 4.28Å; E8-F448 HydrophobicContact CB-CG 3.54Å; E8-F448 HydrophobicContact CB-CZ 4.11Å; E8-F448 HydrophobicContact CG-CD1 4.22Å; E8-F448 HydrophobicContact CG-CE1 4.2Å; E8-F448 WeakPolarHBondContact O-CB 3.32Å; E8-F448 WeakPolarHBondContact OE2-CD1 3.15Å; E8-F448 WeakPolarHBondContact OE2-CE1 3.36Å; E8-R469 IonicContact OE1-CZ 2.75Å; E8-R469 IonicContact OE1-NH1 2.84Å; E8-R469 PolarHBondContact OE1-NH1 3.36Å; E8-R469 IonicContact OE1-NH2 3.9Å; E8-R469 PolarHBondContact OE1-NH2 3.19Å; E8-R469 IonicContact OE2-CZ 3.92Å; E8-R469 IonicContact OE2-NH1 3.86Å; E8-R469 PolarHBondContact OE2-NH1 3.11Å; E8-R469 IonicContact OE2-NH2 3.24Å | ||
| 9 | R | 77.6 | Confident | 69.1 | Low | 17 Ų | 17 | 48.4 Ų | 48.4 | 6% | 0.064 | 26% | 0.257 | C | S | . | . | trans | -127.6 | 157.2 | 179.6 | -54.9 | -170.7 | -132.6 | 138.4 | 10.7 | 110.2 | P7 V224 P225 V227 W407 F448 | P7-R9 VanDerWaalsContact O-CG 3.31Å; P7-R9 WeakPolarHBondContact O-CG 3.36Å; P7-R9 PolarHBondContact O-N 3.31Å; R9-V224 VanDerWaalsContact NH1-CG1 3.33Å; R9-V224 PolarHBondContact NH1-O 3.34Å; R9-P225 VanDerWaalsContact CZ-O 3.25Å; R9-P225 PolarHBondContact NH1-O 3.49Å; R9-P225 PolarHBondContact NH2-O 3.43Å; R9-V227 VanDerWaalsContact NH2-CG2 3.28Å; R9-W407 PolarHBondContact O-NE1 2.95Å; R9-F448 VanDerWaalsContact C-CD2 3.41Å; R9-F448 WeakPolarHBondContact O-CD2 3.28Å; R9-F448 WeakPolarHBondContact O-CE2 3.49Å | ||
| 10 | L | 87.1 | Confident | 70.1 | Confident | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -63.3 | -43 | 178.3 | -62.5 | 177.1 | 0 | 0 | 0 | 111.1 | S405 F409 F413 I446 F448 I467 | L10-S405 VanDerWaalsContact O-CB 3.28Å; L10-S405 WeakPolarHBondContact O-CB 3.39Å; L10-S405 PolarHBondContact O-OG 2.74Å; L10-F409 HydrophobicContact CD2-CD2 4.5Å; L10-F409 HydrophobicContact CD2-CE2 3.86Å; L10-F409 HydrophobicContact CD2-CZ 3.86Å; L10-F413 HydrophobicContact CB-CE1 4.37Å; L10-F413 HydrophobicContact CB-CZ 4.18Å; L10-F413 VanDerWaalsContact O-CZ 3.27Å; L10-F413 WeakPolarHBondContact O-CZ 3.4Å; L10-I446 HydrophobicContact CD1-CB 3.92Å; L10-I446 HydrophobicContact CD1-CG2 3.83Å; L10-F448 HydrophobicContact CD2-CD2 4.07Å; L10-I467 HydrophobicContact CD1-CD1 3.75Å; L10-I467 HydrophobicContact CD2-CD1 4.18Å; L10-I467 HydrophobicContact CD2-CG2 3.88Å |
| 11 | A | 89.9 | Confident | 70.8 | Confident | 2 Ų | 2 | 52 Ų | 52 | 2% | 0.017 | 27% | 0.269 | C | S | . | . | trans | -149.5 | 163.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I403 L404 F413 L443 | A11-I403 HydrophobicContact CB-CG2 3.46Å; A11-I403 VanDerWaalsContact CB-CG2 3.46Å; A11-L404 WeakPolarHBondContact CB-O 3.21Å; A11-F413 HydrophobicContact CB-CE2 4.45Å; A11-F413 HydrophobicContact CB-CZ 4.37Å; A11-L443 HydrophobicContact CB-CD2 3.96Å | ||
| 12 | E | 87.1 | Confident | 73.6 | Confident | 10 Ų | 10 | 46 Ų | 46 | 5% | 0.047 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -99.6 | -36.9 | 175.1 | -77 | 71.8 | -144.6 | 0 | 0 | 113 | V224 L404 S405 R406 | E12-V224 PolarHBondContact O-N 2.88Å; E12-L404 PolarHBondContact N-O 3.11Å; E12-S405 VanDerWaalsContact OE2-CA 3.24Å; E12-S405 WeakPolarHBondContact OE2-CA 3.19Å; E12-R406 IonicContact OE1-CZ 3.07Å; E12-R406 IonicContact OE1-NE 3.2Å; E12-R406 PolarHBondContact OE1-NE 3Å; E12-R406 IonicContact OE1-NH2 3.34Å; E12-R406 PolarHBondContact OE1-NH2 3.18Å; E12-R406 PolarHBondContact OE2-N 2.76Å; E12-R406 IonicContact OE2-NE 2.97Å |
| 13 | Y | 91 | Very high | 76.4 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 145.8 | -177.9 | -48.3 | -93.9 | 0 | 0 | 0 | 112.1 | W221 Y222 R223 L283 D284 P285 I287 L404 | Y13-W221 HydrophobicContact CD1-CE3 4.38Å; Y13-Y222 CarbonylContact C-O 3.55Å; Y13-Y222 WeakPolarHBondContact CA-O 3.49Å; Y13-R223 HydrophobicContact CD1-CB 3.74Å; Y13-R223 HydrophobicContact CD1-CG 4.01Å; Y13-R223 HydrophobicContact CE1-CB 3.74Å; Y13-R223 HydrophobicContact CE1-CG 3.58Å; Y13-R223 PolarHBondContact OH-NH2 3.42Å; Y13-L283 WeakPolarHBondContact CE2-O 3.37Å; Y13-L283 PolarHBondContact OH-O 2.72Å; Y13-D284 PolarHBondContact OH-OD1 2.63Å; Y13-D284 VanDerWaalsContact OH-OD1 3.11Å; Y13-P285 HydrophobicContact CE2-CG 4.48Å; Y13-I287 HydrophobicContact CD1-CD1 3.9Å; Y13-I287 HydrophobicContact CE1-CD1 4.42Å; Y13-I287 HydrophobicContact CG-CD1 3.99Å; Y13-L404 HydrophobicContact CD2-CB 4.02Å; Y13-L404 HydrophobicContact CD2-CD1 3.95Å; Y13-L404 HydrophobicContact CG-CD1 4.25Å; Y13-L404 PolarHBondContact N-O 3.19Å; Y13-L404 PolarHBondContact O-N 2.92Å |
| 14 | F | 93.5 | Very high | 79.1 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 139 | 156.8 | 176.7 | -91.8 | 0 | 0 | 0 | 109 | I16 Y220 W221 Y222 L401 C402 I403 L417 L420 F435 L439 L443 | F14-I16 HydrophobicContact CD1-CG1 4.47Å; F14-I16 HydrophobicContact CE1-CD1 3.97Å; F14-I16 HydrophobicContact CE1-CG1 3.54Å; F14-I16 HydrophobicContact CZ-CG1 4.08Å; F14-Y220 HydrophobicContact CD1-CE1 4.47Å; F14-W221 CarbonylContact O-C 3.24Å; F14-W221 WeakPolarHBondContact O-CA 3.44Å; F14-Y222 PolarHBondContact N-O 3.43Å; F14-Y222 PolarHBondContact O-N 3.4Å; F14-L401 HydrophobicContact CE2-CB 4.3Å; F14-L401 HydrophobicContact CZ-CB 4.23Å; F14-L401 HydrophobicContact CZ-CD2 4.21Å; F14-C402 CarbonylContact C-O 3.56Å; F14-C402 WeakPolarHBondContact CA-O 3.31Å; F14-C402 WeakPolarHBondContact CD2-O 3.35Å; F14-I403 HydrophobicContact CD2-CG1 3.87Å; F14-L417 HydrophobicContact CE2-CD2 3.85Å; F14-L420 HydrophobicContact CE2-CD1 4.41Å; F14-F435 HydrophobicContact CD1-CZ 4.29Å; F14-F435 HydrophobicContact CE1-CE1 4.23Å; F14-F435 HydrophobicContact CE1-CE2 4.44Å; F14-F435 AromaticContact CE1-CZ 3.5Å; F14-F435 HydrophobicContact CE1-CZ 3.5Å; F14-F435 HydrophobicContact CE2-CZ 4.38Å; F14-F435 HydrophobicContact CZ-CE2 4.07Å; F14-F435 AromaticContact CZ-CZ 3.55Å; F14-F435 HydrophobicContact CZ-CZ 3.55Å; F14-L439 HydrophobicContact CB-CD1 3.92Å; F14-L439 HydrophobicContact CB-CD2 4.25Å; F14-L439 HydrophobicContact CD1-CD1 4.2Å; F14-L439 HydrophobicContact CD1-CD2 3.89Å; F14-L439 HydrophobicContact CD2-CD1 3.61Å; F14-L439 HydrophobicContact CE1-CD2 4.47Å; F14-L439 HydrophobicContact CE2-CD1 4.16Å; F14-L439 HydrophobicContact CG-CD1 3.63Å; F14-L439 HydrophobicContact CG-CD2 4.05Å; F14-L443 HydrophobicContact CB-CD1 4.23Å |
| 15 | V | 94 | Very high | 81.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 135.8 | -171.9 | -166 | 0 | 0 | 0 | 0 | 109.9 | V218 W221 I287 C402 L404 | V15-V218 HydrophobicContact CG1-CB 4.34Å; V15-V218 HydrophobicContact CG1-CG1 3.7Å; V15-V218 HydrophobicContact CG1-CG2 3.76Å; V15-W221 HydrophobicContact CG1-CB 4.37Å; V15-W221 HydrophobicContact CG2-CB 4.49Å; V15-I287 HydrophobicContact CG2-CD1 4.04Å; V15-C402 HydrophobicContact CB-CB 4.36Å; V15-C402 PolarHBondContact N-O 3.24Å; V15-C402 PolarHBondContact O-N 3.38Å; V15-L404 HydrophobicContact CG2-CD1 4.13Å; V15-L404 HydrophobicContact CG2-CG 4.24Å |
| 16 | I | 94.9 | Very high | 83.3 | Confident | 33 Ų | 33 | 36.9 Ų | 36.9 | 17% | 0.169 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 120.3 | 168.9 | -52.6 | -178.4 | 0 | 0 | 0 | 108.1 | F14 L219 Y220 K399 T400 L401 | F14-I16 HydrophobicContact CD1-CG1 4.47Å; F14-I16 HydrophobicContact CE1-CD1 3.97Å; F14-I16 HydrophobicContact CE1-CG1 3.54Å; F14-I16 HydrophobicContact CZ-CG1 4.08Å; I16-L219 PolarHBondContact O-N 3.43Å; I16-Y220 HydrophobicContact CD1-CD1 4.12Å; I16-Y220 HydrophobicContact CG1-CD1 4.25Å; I16-Y220 PolarHBondContact N-O 3.13Å; I16-Y220 PolarHBondContact O-N 3.34Å; I16-K399 HydrophobicContact CG2-CD 4.47Å; I16-T400 WeakPolarHBondContact CA-O 3.3Å; I16-L401 HydrophobicContact CD1-CD2 4.35Å; I16-L401 HydrophobicContact CG1-CD2 4.08Å; I16-L401 HydrophobicContact CG2-CD2 4.38Å |
| 17 | C | 95.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 149.9 | 178.6 | -56.1 | 0 | 0 | 0 | 0 | 110.8 | E217 A291 C294 L295 K399 T400 | C17-E217 WeakPolarHBondContact CA-O 3.29Å; C17-A291 HydrophobicContact CB-CB 4.13Å; C17-A291 VanDerWaalsContact SG-CA 3.6Å; C17-C294 HydrophobicContact CB-CB 3.71Å; C17-C294 VanDerWaalsContact SG-SG 3.64Å; C17-L295 HydrophobicContact CB-CD1 4.29Å; C17-K399 CarbonylContact O-C 3.57Å; C17-K399 VanDerWaalsContact O-CA 3.32Å; C17-K399 WeakPolarHBondContact O-CA 3.25Å; C17-T400 PolarHBondContact N-O 3.01Å; C17-T400 PolarHBondContact O-N 3.36Å |
| 18 | G | 95 | Very high | 85.4 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175 | -158.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | E217 A299 | G18-E217 PolarHBondContact N-O 2.94Å; G18-E217 PolarHBondContact O-N 3.25Å; G18-A299 VanDerWaalsContact C-CB 3.48Å |
| 19 | L | 93.3 | Very high | 85.2 | Confident | 22 Ų | 22 | 33.1 Ų | 33.1 | 12% | 0.115 | 18% | 0.18 | C | C | . | . | trans | -76.3 | 123.1 | 178.3 | -171.5 | 73.1 | 0 | 0 | 0 | 110.7 | P23 Y214 L219 A299 I301 Y339 V397 | L19-P23 HydrophobicContact CD1-CB 3.67Å; L19-P23 HydrophobicContact CG-CB 4.14Å; L19-Y214 HydrophobicContact CD1-CD2 3.43Å; L19-Y214 VanDerWaalsContact CD1-CD2 3.43Å; L19-Y214 HydrophobicContact CD1-CE2 4.21Å; L19-Y214 HydrophobicContact CD1-CG 3.67Å; L19-L219 WeakPolarHBondContact O-CD2 3.33Å; L19-A299 HydrophobicContact CB-CB 4.12Å; L19-A299 HydrophobicContact CD1-CB 4.21Å; L19-I301 HydrophobicContact CD2-CD1 3.96Å; L19-I301 HydrophobicContact CD2-CG1 3.98Å; L19-Y339 HydrophobicContact CD2-CE2 4.04Å; L19-V397 HydrophobicContact CB-CG2 3.76Å; L19-V397 HydrophobicContact CD2-CG2 3.94Å; L19-V397 HydrophobicContact CG-CG2 4.44Å | ||
| 20 | P | 90 | Very high | 84.4 | Confident | 6 Ų | 6 | 38.8 Ų | 38.8 | 4% | 0.039 | 21% | 0.205 | C | C | . | . | trans | -75.6 | 160.7 | 175.2 | 31.2 | -35.2 | 0 | 0 | 0 | 112.3 | N22 K215 E217 | P20-N22 PolarHBondContact O-N 2.55Å; P20-K215 WeakPolarHBondContact CD-O 3.45Å; P20-E217 HydrophobicContact CB-CB 4.04Å; P20-E217 HydrophobicContact CB-CG 3.95Å; P20-E217 VanDerWaalsContact CB-OE2 3.28Å; P20-E217 WeakPolarHBondContact CB-OE2 3.19Å; P20-E217 HydrophobicContact CG-CB 4.32Å; P20-E217 HydrophobicContact CG-CG 3.91Å | ||
| 21 | K | 84.3 | Confident | 83 | Confident | 165 Ų | 165 | 41.5 Ų | 41.5 | 72% | 0.717 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -57.3 | -33.9 | -179 | -63.6 | 176.3 | -177.3 | 170.5 | 0 | 113.6 | P23 | K21-P23 VanDerWaalsContact O-CD 3.26Å; K21-P23 WeakPolarHBondContact O-CD 3.47Å |
| 22 | N | 83.9 | Confident | 81.6 | Confident | 93 Ų | 93 | 42.1 Ų | 42.1 | 50% | 0.497 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -112.9 | 79.4 | 176.8 | -68.3 | -16.3 | 0 | 0 | 0 | 109.2 | P20 S24 D260 | P20-N22 PolarHBondContact O-N 2.55Å; N22-S24 PolarHBondContact O-N 2.83Å; N22-D260 VanDerWaalsContact ND2-CG 3.26Å; N22-D260 PolarHBondContact ND2-OD1 2.89Å; N22-D260 PolarHBondContact ND2-OD2 2.88Å |
| 23 | P | 85.2 | Confident | 80 | Confident | 43 Ų | 43 | 46.7 Ų | 46.7 | 28% | 0.279 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 119.9 | -166.7 | 31.2 | -37.2 | 0 | 0 | 0 | 112.8 | L19 K21 Y214 | L19-P23 HydrophobicContact CD1-CB 3.67Å; L19-P23 HydrophobicContact CG-CB 4.14Å; K21-P23 VanDerWaalsContact O-CD 3.26Å; K21-P23 WeakPolarHBondContact O-CD 3.47Å; P23-Y214 HydrophobicContact CB-CD1 3.61Å; P23-Y214 HydrophobicContact CB-CE1 3.99Å; P23-Y214 HydrophobicContact CB-CG 3.87Å; P23-Y214 HydrophobicContact CG-CD1 4.39Å; P23-Y214 HydrophobicContact CG-CE1 4.28Å |
| 24 | S | 84.1 | Confident | 78.1 | Confident | 58 Ų | 58 | 53.8 Ų | 53.8 | 41% | 0.406 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -95 | 140.2 | 174.9 | 54.8 | 0 | 0 | 0 | 0 | 111.5 | N22 Y214 K215 | N22-S24 PolarHBondContact O-N 2.83Å; S24-Y214 CarbonylContact O-C 3.58Å; S24-Y214 WeakPolarHBondContact O-CA 3.34Å; S24-Y214 VanDerWaalsContact O-CB 3.29Å; S24-Y214 WeakPolarHBondContact O-CB 3.44Å; S24-K215 PolarHBondContact O-N 3.49Å |
| 25 | T | 79.8 | Confident | 76.2 | Confident | 105 Ų | 105 | 53.9 Ų | 53.9 | 64% | 0.644 | 29% | 0.285 | S | S | * | . | B | Isolated β-bridge | trans | -61.4 | 140.2 | -177.6 | 50.3 | 0 | 0 | 0 | 0 | 112.6 | D27 | T25-D27 PolarHBondContact O-N 3.31Å |
| 26 | Y | 78.5 | Confident | 74.2 | Confident | 21 Ų | 21 | 63.1 Ų | 63.1 | 8% | 0.082 | 33% | 0.328 | C | S | . | . | trans | -75.9 | 79.5 | -178.2 | -163 | -122.2 | 0 | 0 | 0 | 113 | V28 F47 S213 | Y26-V28 HydrophobicContact CD1-CG2 4.46Å; Y26-V28 HydrophobicContact CE1-CG2 4.32Å; Y26-F47 HydrophobicContact CD1-CD2 4.01Å; Y26-F47 AromaticContact CD1-CE2 3.74Å; Y26-F47 HydrophobicContact CD1-CE2 3.74Å; Y26-F47 HydrophobicContact CD1-CZ 4.18Å; Y26-F47 HydrophobicContact CE1-CE2 4.35Å; Y26-F47 HydrophobicContact CE1-CZ 4.39Å; Y26-F47 WeakPolarHBondContact O-CD2 3.11Å; Y26-F47 WeakPolarHBondContact O-CE2 3.41Å; Y26-S213 WeakPolarHBondContact CB-O 3.22Å; Y26-S213 PolarHBondContact N-O 2.85Å | ||
| 27 | D | 72.8 | Confident | 72.2 | Confident | 69 Ų | 69 | 66.5 Ų | 66.5 | 37% | 0.369 | 34% | 0.343 | S | S | . | . | trans | -88.9 | 112 | 177 | 170.9 | 32.2 | 0 | 0 | 0 | 112.2 | T25 S29 K30 | T25-D27 PolarHBondContact O-N 3.31Å; D27-S29 VanDerWaalsContact OD1-CB 3.25Å; D27-S29 WeakPolarHBondContact OD1-CB 3.45Å; D27-S29 PolarHBondContact OD1-N 3.47Å; D27-S29 PolarHBondContact OD1-OG 2.89Å; D27-K30 WeakPolarHBondContact OD2-CE 3.22Å; D27-K30 IonicContact OD2-NZ 3.99Å; D27-K30 PolarHBondContact OD2-NZ 2.96Å | ||
| 28 | V | 65.8 | Low | 70.5 | Confident | 6 Ų | 6 | 67 Ų | 67 | 4% | 0.036 | 35% | 0.345 | C | S | . | . | trans | -108.5 | 6.7 | 170.6 | -105.9 | 0 | 0 | 0 | 0 | 113.2 | Y26 K30 I31 L32 I45 F47 M544 | Y26-V28 HydrophobicContact CD1-CG2 4.46Å; Y26-V28 HydrophobicContact CE1-CG2 4.32Å; V28-K30 VanDerWaalsContact C-N 3.27Å; V28-K30 PolarHBondContact O-N 3.18Å; V28-I31 HydrophobicContact CG1-CB 4.29Å; V28-I31 HydrophobicContact CG1-CD1 4.02Å; V28-I31 HydrophobicContact CG1-CG1 4.49Å; V28-I31 PolarHBondContact O-N 2.72Å; V28-L32 PolarHBondContact O-N 3.01Å; V28-I45 HydrophobicContact CB-CD1 4.47Å; V28-I45 HydrophobicContact CG2-CD1 4.03Å; V28-F47 HydrophobicContact CG2-CE2 3.34Å; V28-F47 HydrophobicContact CG2-CZ 3.39Å; V28-M544 HydrophobicContact CB-CG 4.38Å; V28-M544 HydrophobicContact CG1-CG 4.24Å; V28-M544 HydrophobicContact CG2-CG 3.9Å | ||
| 29 | S | 65 | Low | 68.6 | Low | 38 Ų | 38 | 71.7 Ų | 71.7 | 27% | 0.266 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.1 | -40.4 | -178.7 | 65.4 | 0 | 0 | 0 | 0 | 112.2 | D27 I31 L32 T33 | D27-S29 VanDerWaalsContact OD1-CB 3.25Å; D27-S29 WeakPolarHBondContact OD1-CB 3.45Å; D27-S29 PolarHBondContact OD1-N 3.47Å; D27-S29 PolarHBondContact OD1-OG 2.89Å; S29-I31 PolarHBondContact O-N 2.98Å; S29-L32 PolarHBondContact O-N 3.05Å; S29-T33 PolarHBondContact O-N 3.34Å; S29-T33 PolarHBondContact O-OG1 2.88Å |
| 30 | K | 61.2 | Low | 66.8 | Low | 136 Ų | 136 | 72.1 Ų | 72.1 | 59% | 0.591 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -60.4 | -31.2 | 176 | -62.6 | 168.4 | -171.6 | 146.4 | 0 | 113.6 | D27 V28 T33 | D27-K30 WeakPolarHBondContact OD2-CE 3.22Å; D27-K30 IonicContact OD2-NZ 3.99Å; D27-K30 PolarHBondContact OD2-NZ 2.96Å; V28-K30 VanDerWaalsContact C-N 3.27Å; V28-K30 PolarHBondContact O-N 3.18Å; K30-T33 VanDerWaalsContact C-OG1 3.29Å; K30-T33 WeakPolarHBondContact CA-OG1 3.39Å; K30-T33 PolarHBondContact O-OG1 3.15Å |
| 31 | I | 59.1 | Low | 65.1 | Low | 60 Ų | 60 | 74.9 Ų | 74.9 | 31% | 0.308 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -79.4 | -35.8 | -179.9 | -66.8 | -176.3 | 0 | 0 | 0 | 110.1 | V28 S29 T33 H34 G545 | V28-I31 HydrophobicContact CG1-CB 4.29Å; V28-I31 HydrophobicContact CG1-CD1 4.02Å; V28-I31 HydrophobicContact CG1-CG1 4.49Å; V28-I31 PolarHBondContact O-N 2.72Å; S29-I31 PolarHBondContact O-N 2.98Å; I31-T33 VanDerWaalsContact C-N 3.35Å; I31-H34 PolarHBondContact O-N 3.29Å; I31-G545 VanDerWaalsContact CG2-O 3.23Å; I31-G545 WeakPolarHBondContact CG2-O 3.21Å |
| 32 | L | 59.5 | Low | 63.3 | Low | 16 Ų | 16 | 75.4 Ų | 75.4 | 8% | 0.084 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -65.5 | -34.9 | 170.4 | -71.8 | -176.9 | 0 | 0 | 0 | 112.7 | V28 S29 H34 A35 I38 A40 I45 I547 | V28-L32 PolarHBondContact O-N 3.01Å; S29-L32 PolarHBondContact O-N 3.05Å; L32-H34 PolarHBondContact O-N 3.08Å; L32-A35 PolarHBondContact O-N 2.73Å; L32-A35 VanDerWaalsContact O-N 3.11Å; L32-I38 HydrophobicContact CD2-CG2 3.88Å; L32-A40 HydrophobicContact CB-CB 4.18Å; L32-A40 HydrophobicContact CD1-CB 3.82Å; L32-A40 HydrophobicContact CG-CB 4.49Å; L32-I45 HydrophobicContact CD1-CD1 3.49Å; L32-I45 VanDerWaalsContact CD1-CD1 3.49Å; L32-I45 HydrophobicContact CD1-CG1 4.04Å; L32-I45 HydrophobicContact CG-CD1 4.32Å; L32-I547 HydrophobicContact CD2-CG2 4.1Å |
| 33 | T | 53.9 | Low | 61.7 | Low | 105 Ų | 105 | 75.7 Ų | 75.7 | 64% | 0.644 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -1.5 | 178.5 | 49.6 | 0 | 0 | 0 | 0 | 115.3 | S29 K30 I31 | S29-T33 PolarHBondContact O-N 3.34Å; S29-T33 PolarHBondContact O-OG1 2.88Å; K30-T33 VanDerWaalsContact C-OG1 3.29Å; K30-T33 WeakPolarHBondContact CA-OG1 3.39Å; K30-T33 PolarHBondContact O-OG1 3.15Å; I31-T33 VanDerWaalsContact C-N 3.35Å |
| 34 | H | 49.8 | Very low | 60.2 | Low | 154 Ų | 154 | 78.1 Ų | 78.1 | 71% | 0.713 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.6 | 0.4 | 174.4 | -62 | -24.3 | 0 | 0 | 0 | 113.4 | I31 L32 | I31-H34 PolarHBondContact O-N 3.29Å; L32-H34 PolarHBondContact O-N 3.08Å |
| 35 | A | 54.7 | Low | 59 | Low | 2 Ų | 2 | 76.6 Ų | 76.6 | 2% | 0.017 | 42% | 0.415 | C | S | . | . | trans | -103 | 77.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | L32 E37 I38 H548 Q551 | L32-A35 PolarHBondContact O-N 2.73Å; L32-A35 VanDerWaalsContact O-N 3.11Å; A35-E37 PolarHBondContact O-N 2.92Å; A35-E37 VanDerWaalsContact O-N 3.14Å; A35-I38 HydrophobicContact CB-CB 3.79Å; A35-I38 HydrophobicContact CB-CD1 3.92Å; A35-I38 HydrophobicContact CB-CG1 4.03Å; A35-I38 WeakPolarHBondContact O-CB 3.49Å; A35-I38 PolarHBondContact O-N 3.38Å; A35-H548 HydrophobicContact CB-CB 4.09Å; A35-Q551 PolarHBondContact O-NE2 3.41Å | ||
| 36 | E | 50.9 | Low | 58.3 | Low | 193 Ų | 193 | 74.2 Ų | 74.2 | 90% | 0.902 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -36.7 | -164.3 | -59.8 | -170.9 | 150.8 | 0 | 0 | 115.8 | ||
| 37 | E | 53.6 | Low | 57.7 | Low | 105 Ų | 105 | 73.7 Ų | 73.7 | 49% | 0.491 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -13.7 | 174.5 | -51.9 | -166.6 | 131.2 | 0 | 0 | 115.2 | A35 I39 P571 | A35-E37 PolarHBondContact O-N 2.92Å; A35-E37 VanDerWaalsContact O-N 3.14Å; E37-I39 PolarHBondContact O-N 2.89Å; E37-P571 HydrophobicContact CB-CB 4.16Å; E37-P571 HydrophobicContact CB-CG 4.22Å |
| 38 | I | 59.4 | Low | 57.2 | Low | 9 Ų | 9 | 72.1 Ų | 72.1 | 5% | 0.046 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -83.3 | 102.7 | -179.4 | -69.1 | -173.2 | 0 | 0 | 0 | 107.8 | L32 A35 A40 I547 Q551 F568 | L32-I38 HydrophobicContact CD2-CG2 3.88Å; A35-I38 HydrophobicContact CB-CB 3.79Å; A35-I38 HydrophobicContact CB-CD1 3.92Å; A35-I38 HydrophobicContact CB-CG1 4.03Å; A35-I38 WeakPolarHBondContact O-CB 3.49Å; A35-I38 PolarHBondContact O-N 3.38Å; I38-A40 VanDerWaalsContact C-N 3.33Å; I38-A40 PolarHBondContact O-N 2.87Å; I38-I547 HydrophobicContact CD1-CG1 4.37Å; I38-I547 HydrophobicContact CD1-CG2 4.23Å; I38-I547 WeakPolarHBondContact CD1-O 3.27Å; I38-Q551 HydrophobicContact CD1-CG 4.26Å; I38-Q551 HydrophobicContact CG1-CG 4.09Å; I38-F568 HydrophobicContact CG2-CB 3.47Å; I38-F568 VanDerWaalsContact CG2-CB 3.47Å; I38-F568 HydrophobicContact CG2-CD2 3.71Å; I38-F568 HydrophobicContact CG2-CG 3.72Å |
| 39 | I | 55.3 | Low | 57.2 | Low | 100 Ų | 100 | 81.2 Ų | 81.2 | 51% | 0.513 | 42% | 0.423 | S | S | . | . | B | Isolated β-bridge | trans | -72.7 | 90.4 | -176.6 | -51.6 | 175.6 | 0 | 0 | 0 | 109.6 | E37 F568 R569 | E37-I39 PolarHBondContact O-N 2.89Å; I39-F568 WeakPolarHBondContact O-CA 3.23Å; I39-R569 HydrophobicContact CB-CB 4.37Å; I39-R569 PolarHBondContact N-O 2.98Å; I39-R569 PolarHBondContact O-N 3.09Å |
| 40 | A | 56.3 | Low | 57.5 | Low | 30 Ų | 30 | 80.3 Ų | 80.3 | 25% | 0.248 | 41% | 0.414 | C | S | . | . | trans | -67 | 147.9 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | L32 I38 | L32-A40 HydrophobicContact CB-CB 4.18Å; L32-A40 HydrophobicContact CD1-CB 3.82Å; L32-A40 HydrophobicContact CG-CB 4.49Å; I38-A40 VanDerWaalsContact C-N 3.33Å; I38-A40 PolarHBondContact O-N 2.87Å | ||
| 41 | P | 53.8 | Low | 58.1 | Low | 64 Ų | 64 | 76.3 Ų | 76.3 | 42% | 0.416 | 40% | 0.402 | S | S | . | . | trans | -67 | 153.2 | 160.6 | 31.8 | -34.1 | 0 | 0 | 0 | 109.8 | T43 F567 | P41-T43 PolarHBondContact O-N 2.76Å; P41-F567 WeakPolarHBondContact CD-O 3.42Å | ||
| 42 | N | 47.3 | Very low | 59.2 | Low | 176 Ų | 176 | 77 Ų | 77 | 94% | 0.941 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -73.3 | 35.8 | 179.9 | -64.8 | 5.4 | 0 | 0 | 0 | 113.4 | ||
| 43 | T | 49.7 | Very low | 60.7 | Low | 99 Ų | 99 | 76.6 Ų | 76.6 | 61% | 0.607 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -140.4 | 136 | -173 | 52.4 | 0 | 0 | 0 | 0 | 109 | P41 I45 | P41-T43 PolarHBondContact O-N 2.76Å; T43-I45 PolarHBondContact O-N 3.33Å |
| 44 | S | 52.9 | Low | 62.6 | Low | 95 Ų | 95 | 71.6 Ų | 71.6 | 66% | 0.664 | 37% | 0.372 | S | S | * | . | trans | -51.9 | 134.6 | 172.1 | 50.8 | 0 | 0 | 0 | 0 | 111.4 | D46 | S44-D46 PolarHBondContact O-N 3.32Š| ||
| 45 | I | 60.5 | Low | 64.7 | Low | 26 Ų | 26 | 64.2 Ų | 64.2 | 13% | 0.133 | 34% | 0.338 | C | S | . | . | trans | -63.1 | 126.4 | 172.6 | -59.9 | 164.3 | 0 | 0 | 0 | 109 | V28 L32 T43 F47 M544 F567 | V28-I45 HydrophobicContact CB-CD1 4.47Å; V28-I45 HydrophobicContact CG2-CD1 4.03Å; L32-I45 HydrophobicContact CD1-CD1 3.49Å; L32-I45 VanDerWaalsContact CD1-CD1 3.49Å; L32-I45 HydrophobicContact CD1-CG1 4.04Å; L32-I45 HydrophobicContact CG-CD1 4.32Å; T43-I45 PolarHBondContact O-N 3.33Å; I45-F47 HydrophobicContact CB-CE2 4.24Å; I45-F47 HydrophobicContact CB-CZ 4.42Å; I45-F47 HydrophobicContact CD1-CZ 4.32Å; I45-F47 HydrophobicContact CG2-CD1 4.14Å; I45-F47 HydrophobicContact CG2-CD2 3.87Å; I45-F47 HydrophobicContact CG2-CE1 3.84Å; I45-F47 HydrophobicContact CG2-CE2 3.54Å; I45-F47 HydrophobicContact CG2-CG 4.15Å; I45-F47 HydrophobicContact CG2-CZ 3.52Å; I45-M544 HydrophobicContact CD1-CE 3.8Å; I45-F567 HydrophobicContact CB-CD1 4.36Å; I45-F567 HydrophobicContact CD1-CB 4.03Å; I45-F567 HydrophobicContact CD1-CG 4.27Å; I45-F567 HydrophobicContact CG1-CB 4.06Å; I45-F567 HydrophobicContact CG1-CD1 4.1Å; I45-F567 HydrophobicContact CG1-CG 4.17Å; I45-F567 HydrophobicContact CG2-CD1 3.5Å; I45-F567 HydrophobicContact CG2-CD2 4.47Å; I45-F567 HydrophobicContact CG2-CE1 3.56Å; I45-F567 HydrophobicContact CG2-CG 3.99Å; I45-F567 HydrophobicContact CG2-CZ 4.09Å | ||
| 46 | D | 63.9 | Low | 66.6 | Low | 54 Ų | 54 | 64.6 Ų | 64.6 | 29% | 0.289 | 34% | 0.339 | S | S | . | . | trans | -113.4 | 102 | 169.7 | -175.6 | -12.1 | 0 | 0 | 0 | 109.2 | S44 T48 R49 | S44-D46 PolarHBondContact O-N 3.32Å; D46-T48 VanDerWaalsContact CG-OG1 3.31Å; D46-T48 PolarHBondContact O-N 2.79Å; D46-T48 VanDerWaalsContact OD1-CB 3.3Å; D46-T48 WeakPolarHBondContact OD1-CB 3.31Å; D46-T48 WeakPolarHBondContact OD1-CG2 3.24Å; D46-T48 PolarHBondContact OD1-N 2.91Å; D46-T48 PolarHBondContact OD1-OG1 3.22Å; D46-T48 PolarHBondContact OD2-OG1 3.41Å; D46-R49 HydrophobicContact CB-CG 4.37Å; D46-R49 PolarHBondContact O-N 2.98Å; D46-R49 WeakPolarHBondContact OD2-CD 3.17Å; D46-R49 WeakPolarHBondContact OD2-CG 3.49Å; D46-R49 IonicContact OD2-CZ 2.63Å; D46-R49 IonicContact OD2-NE 3.39Å; D46-R49 PolarHBondContact OD2-NE 3.39Å; D46-R49 IonicContact OD2-NH2 2.66Å | ||
| 47 | F | 65.5 | Low | 68.8 | Low | 10 Ų | 10 | 55.5 Ų | 55.5 | 4% | 0.044 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -8.3 | 178.9 | -69.3 | -75.3 | 0 | 0 | 0 | 114.2 | Y26 V28 I45 R49 F50 W297 M544 F567 | Y26-F47 HydrophobicContact CD1-CD2 4.01Å; Y26-F47 AromaticContact CD1-CE2 3.74Å; Y26-F47 HydrophobicContact CD1-CE2 3.74Å; Y26-F47 HydrophobicContact CD1-CZ 4.18Å; Y26-F47 HydrophobicContact CE1-CE2 4.35Å; Y26-F47 HydrophobicContact CE1-CZ 4.39Å; Y26-F47 WeakPolarHBondContact O-CD2 3.11Å; Y26-F47 WeakPolarHBondContact O-CE2 3.41Å; V28-F47 HydrophobicContact CG2-CE2 3.34Å; V28-F47 HydrophobicContact CG2-CZ 3.39Å; I45-F47 HydrophobicContact CB-CE2 4.24Å; I45-F47 HydrophobicContact CB-CZ 4.42Å; I45-F47 HydrophobicContact CD1-CZ 4.32Å; I45-F47 HydrophobicContact CG2-CD1 4.14Å; I45-F47 HydrophobicContact CG2-CD2 3.87Å; I45-F47 HydrophobicContact CG2-CE1 3.84Å; I45-F47 HydrophobicContact CG2-CE2 3.54Å; I45-F47 HydrophobicContact CG2-CG 4.15Å; I45-F47 HydrophobicContact CG2-CZ 3.52Å; F47-R49 VanDerWaalsContact C-N 3.33Å; F47-F50 WeakPolarHBondContact O-CE2 3.23Å; F47-W297 AromaticContact CD1-CE3 3.99Å; F47-W297 HydrophobicContact CD1-CE3 3.99Å; F47-W297 AromaticContact CD1-CZ3 3.87Å; F47-W297 HydrophobicContact CD1-CZ3 3.87Å; F47-W297 HydrophobicContact CE1-CE3 4.14Å; F47-W297 AromaticContact CE1-CZ3 3.87Å; F47-W297 HydrophobicContact CE1-CZ3 3.87Å; F47-M544 HydrophobicContact CZ-CG 4.35Å; F47-F567 HydrophobicContact CD1-CE2 4.07Å; F47-F567 AromaticContact CD1-CZ 3.92Å; F47-F567 HydrophobicContact CD1-CZ 3.92Å; F47-F567 HydrophobicContact CE1-CD2 4.18Å; F47-F567 AromaticContact CE1-CE2 3.59Å; F47-F567 HydrophobicContact CE1-CE2 3.59Å; F47-F567 AromaticContact CE1-CZ 3.87Å; F47-F567 HydrophobicContact CE1-CZ 3.87Å |
| 48 | T | 63.7 | Low | 70.7 | Confident | 36 Ų | 36 | 53.4 Ų | 53.4 | 22% | 0.221 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -21.5 | 174 | 74.5 | 0 | 0 | 0 | 0 | 112 | D46 F50 I211 | D46-T48 VanDerWaalsContact CG-OG1 3.31Å; D46-T48 PolarHBondContact O-N 2.79Å; D46-T48 VanDerWaalsContact OD1-CB 3.3Å; D46-T48 WeakPolarHBondContact OD1-CB 3.31Å; D46-T48 WeakPolarHBondContact OD1-CG2 3.24Å; D46-T48 PolarHBondContact OD1-N 2.91Å; D46-T48 PolarHBondContact OD1-OG1 3.22Å; D46-T48 PolarHBondContact OD2-OG1 3.41Å; T48-F50 PolarHBondContact O-N 3.04Å; T48-I211 WeakPolarHBondContact CA-O 3.49Å; T48-I211 WeakPolarHBondContact CB-O 3.49Å; T48-I211 WeakPolarHBondContact CG2-O 3.29Å |
| 49 | R | 65.5 | Low | 72.3 | Confident | 197 Ų | 197 | 53 Ų | 53 | 74% | 0.743 | 28% | 0.284 | S | S | * | . | trans | -101.4 | 67.1 | -169.9 | -62.7 | -174.7 | -162.1 | -132 | -4.4 | 113.8 | D46 F47 | D46-R49 HydrophobicContact CB-CG 4.37Å; D46-R49 PolarHBondContact O-N 2.98Å; D46-R49 WeakPolarHBondContact OD2-CD 3.17Å; D46-R49 WeakPolarHBondContact OD2-CG 3.49Å; D46-R49 IonicContact OD2-CZ 2.63Å; D46-R49 IonicContact OD2-NE 3.39Å; D46-R49 PolarHBondContact OD2-NE 3.39Å; D46-R49 IonicContact OD2-NH2 2.66Å; F47-R49 VanDerWaalsContact C-N 3.33Å | ||
| 50 | F | 69.9 | Low | 74 | Confident | 19 Ų | 19 | 48.3 Ų | 48.3 | 8% | 0.083 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 134 | 165.6 | -71.7 | -81.8 | 0 | 0 | 0 | 111 | F47 T48 E52 I211 W297 | F47-F50 WeakPolarHBondContact O-CE2 3.23Å; T48-F50 PolarHBondContact O-N 3.04Å; F50-E52 PolarHBondContact O-N 3.29Å; F50-I211 HydrophobicContact CD2-CG2 3.68Å; F50-I211 HydrophobicContact CE2-CD1 4.26Å; F50-I211 HydrophobicContact CE2-CG2 3.75Å; F50-W297 HydrophobicContact CE1-CZ3 4.26Å; F50-W297 HydrophobicContact CZ-CE3 4.24Å; F50-W297 AromaticContact CZ-CZ3 3.93Å; F50-W297 HydrophobicContact CZ-CZ3 3.93Å |
| 51 | P | 74.1 | Confident | 75.5 | Confident | 52 Ų | 52 | 46.9 Ų | 46.9 | 34% | 0.338 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -64.5 | 135.8 | -179.6 | 27.1 | -34.6 | 0 | 0 | 0 | 110.7 | ||
| 52 | E | 83.6 | Confident | 76.8 | Confident | 76 Ų | 76 | 47.2 Ų | 47.2 | 36% | 0.355 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -57.8 | 136.7 | -178.1 | -59.4 | -146.5 | 113.2 | 0 | 0 | 111.9 | F50 R101 G102 R103 | F50-E52 PolarHBondContact O-N 3.29Å; E52-R101 HydrophobicContact CB-CB 4.07Å; E52-R101 PolarHBondContact O-NH1 2.76Å; E52-G102 WeakPolarHBondContact OE2-CA 3.49Å; E52-R103 IonicContact OE1-CZ 3.58Å; E52-R103 IonicContact OE1-NE 3.56Å; E52-R103 IonicContact OE1-NH1 2.77Å; E52-R103 PolarHBondContact OE1-NH1 3.21Å |
| 53 | P | 90.4 | Very high | 78.1 | Confident | 6 Ų | 6 | 47.1 Ų | 47.1 | 4% | 0.039 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -65.1 | 154.6 | -177.6 | 28.4 | -34.5 | 0 | 0 | 0 | 111.4 | V55 R101 G102 R103 F107 A163 | P53-V55 PolarHBondContact O-N 3.4Å; P53-R101 WeakPolarHBondContact O-CA 3.41Å; P53-G102 WeakPolarHBondContact CG-O 3.45Å; P53-G102 PolarHBondContact O-N 3.34Å; P53-G102 VanDerWaalsContact O-N 3.14Å; P53-R103 HydrophobicContact CG-CG 4.44Å; P53-F107 HydrophobicContact CB-CB 3.92Å; P53-F107 HydrophobicContact CG-CB 4.19Å; P53-A163 HydrophobicContact CB-CB 3.79Å |
| 54 | I | 94.5 | Very high | 79.3 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 126.4 | 173 | -57.6 | -174.2 | 0 | 0 | 0 | 108.4 | I57 Y99 R100 R101 I108 V164 L167 | I54-I57 HydrophobicContact CG2-CG1 4.06Å; I54-Y99 HydrophobicContact CD1-CD2 3.8Å; I54-Y99 HydrophobicContact CD1-CE2 4.24Å; I54-Y99 HydrophobicContact CD1-CG 3.99Å; I54-Y99 HydrophobicContact CG1-CD2 4.11Å; I54-R100 WeakPolarHBondContact CA-O 3.43Å; I54-R101 HydrophobicContact CG1-CG 4.36Å; I54-I108 HydrophobicContact CG2-CD1 4.01Å; I54-I108 WeakPolarHBondContact O-CB 3.39Å; I54-I108 WeakPolarHBondContact O-CG1 3.41Å; I54-I108 PolarHBondContact O-N 3.37Å; I54-V164 HydrophobicContact CD1-CG1 4.12Å; I54-V164 PolarHBondContact N-O 2.85Å; I54-L167 HydrophobicContact CD1-CB 3.84Å |
| 55 | V | 93.8 | Very high | 80.5 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | -18.2 | -174.9 | -67.2 | 0 | 0 | 0 | 0 | 113.7 | P53 R100 G102 Q105 R152 | P53-V55 PolarHBondContact O-N 3.4Å; V55-R100 HydrophobicContact CG2-CG 4.39Å; V55-R100 WeakPolarHBondContact CG2-O 3.32Å; V55-R100 PolarHBondContact N-O 2.93Å; V55-G102 VanDerWaalsContact CG1-O 3.25Å; V55-G102 WeakPolarHBondContact CG1-O 3.13Å; V55-Q105 HydrophobicContact CB-CB 4.16Å; V55-Q105 VanDerWaalsContact CG1-O 3.3Å; V55-Q105 WeakPolarHBondContact CG1-O 3.47Å; V55-R152 VanDerWaalsContact O-CZ 3.23Å; V55-R152 PolarHBondContact O-NH1 3.09Å; V55-R152 PolarHBondContact O-NH2 2.94Å |
| 56 | D | 94.6 | Very high | 81.8 | Confident | 10 Ų | 10 | 51 Ų | 51 | 5% | 0.053 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 157.3 | 166.6 | -162.6 | 18.5 | 0 | 0 | 0 | 112 | K58 Y72 Y99 R100 Y150 R152 | D56-K58 WeakPolarHBondContact OD2-CE 3.27Å; D56-K58 IonicContact OD2-NZ 3.93Å; D56-K58 PolarHBondContact OD2-NZ 3.14Å; D56-Y72 HydrophobicContact CB-CE1 4.23Å; D56-Y72 PolarHBondContact OD2-OH 3.47Å; D56-Y72 VanDerWaalsContact OD2-OH 3.09Å; D56-Y99 CarbonylContact O-C 3.52Å; D56-Y99 WeakPolarHBondContact O-CA 3.35Å; D56-R100 PolarHBondContact N-O 3.23Å; D56-R100 PolarHBondContact O-N 3.39Å; D56-Y150 PolarHBondContact OD1-OH 3.37Å; D56-R152 IonicContact OD1-NH2 2.7Å |
| 57 | I | 95.9 | Very high | 82.8 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 135.6 | 175.9 | -61.7 | 170.9 | 0 | 0 | 0 | 108.2 | I54 I97 C98 I108 I111 L127 L148 Y150 L167 | I54-I57 HydrophobicContact CG2-CG1 4.06Å; I57-I97 HydrophobicContact CG2-CG2 3.76Å; I57-C98 CarbonylContact C-O 3.55Å; I57-C98 WeakPolarHBondContact CA-O 3.24Å; I57-I108 HydrophobicContact CD1-CD1 3.65Å; I57-I108 HydrophobicContact CG1-CD1 3.68Å; I57-I111 HydrophobicContact CD1-CD1 3.52Å; I57-I111 HydrophobicContact CD1-CG1 4.03Å; I57-L127 HydrophobicContact CB-CD1 4.12Å; I57-L127 HydrophobicContact CG2-CD1 3.79Å; I57-L127 WeakPolarHBondContact O-CD1 3.36Å; I57-L127 WeakPolarHBondContact O-CD2 3.45Å; I57-L148 HydrophobicContact CG2-CD2 4.22Å; I57-Y150 HydrophobicContact CB-CD1 4.14Å; I57-Y150 HydrophobicContact CB-CE1 4.14Å; I57-Y150 HydrophobicContact CD1-CD1 4.32Å; I57-L167 HydrophobicContact CD1-CD2 4.29Å |
| 58 | K | 94.1 | Very high | 83.9 | Confident | 62 Ų | 62 | 59.4 Ų | 59.4 | 27% | 0.27 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 159.2 | 177.5 | -61.9 | -60.8 | -165.9 | -142.8 | 0 | 110.6 | D56 Y72 C98 I131 | D56-K58 WeakPolarHBondContact OD2-CE 3.27Å; D56-K58 IonicContact OD2-NZ 3.93Å; D56-K58 PolarHBondContact OD2-NZ 3.14Å; K58-Y72 HydrophobicContact CB-CE1 4.4Å; K58-Y72 HydrophobicContact CG-CD1 4.15Å; K58-Y72 HydrophobicContact CG-CE1 3.55Å; K58-C98 PolarHBondContact N-O 2.62Å; K58-C98 PolarHBondContact O-N 2.92Å; K58-I131 HydrophobicContact CB-CD1 4.43Å; K58-I131 HydrophobicContact CD-CD1 3.95Å; K58-I131 HydrophobicContact CG-CD1 3.93Å |
| 59 | I | 92.8 | Very high | 85 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 133.6 | 169.5 | -64.1 | 169.8 | 0 | 0 | 0 | 107.5 | I87 A95 L127 T130 I131 A136 L148 | I59-I87 HydrophobicContact CD1-CD1 4.46Å; I59-I87 HydrophobicContact CG2-CD1 4.19Å; I59-A95 HydrophobicContact CG2-CB 3.78Å; I59-L127 HydrophobicContact CD1-CB 4.35Å; I59-T130 HydrophobicContact CG2-CG2 4.26Å; I59-T130 CarbonylContact O-C 3.5Å; I59-T130 VanDerWaalsContact O-CA 3.25Å; I59-T130 WeakPolarHBondContact O-CA 3.3Å; I59-T130 WeakPolarHBondContact O-CB 3.32Å; I59-I131 PolarHBondContact O-N 3.43Å; I59-A136 HydrophobicContact CD1-CB 3.92Å; I59-A136 HydrophobicContact CG2-CB 4.45Å; I59-L148 HydrophobicContact CD1-CB 4.41Å |
| 60 | V | 90.8 | Very high | 86.1 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 122 | -172.1 | 179.1 | 0 | 0 | 0 | 0 | 109 | L62 E66 A95 C96 C98 I131 | V60-L62 PolarHBondContact O-N 2.95Å; V60-E66 HydrophobicContact CG1-CB 3.6Å; V60-E66 WeakPolarHBondContact CG1-O 3.49Å; V60-A95 CarbonylContact O-C 3.59Å; V60-A95 WeakPolarHBondContact O-CA 3.16Å; V60-A95 VanDerWaalsContact O-CB 3.31Å; V60-A95 WeakPolarHBondContact O-CB 3.49Å; V60-C96 PolarHBondContact N-O 2.84Å; V60-C96 PolarHBondContact O-N 2.8Å; V60-C98 HydrophobicContact CG2-CB 4.28Å; V60-I131 HydrophobicContact CB-CG2 4.49Å; V60-I131 HydrophobicContact CG1-CG2 4.34Å; V60-I131 HydrophobicContact CG2-CG2 4.01Å |
| 61 | S | 87.7 | Confident | 87 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 116 | -179.1 | -174.6 | 0 | 0 | 0 | 0 | 111.7 | E66 E93 | S61-E66 PolarHBondContact N-OE2 3.36Å; S61-E66 PolarHBondContact O-N 2.91Å; S61-E93 WeakPolarHBondContact CB-OE2 2.94Å; S61-E93 PolarHBondContact OG-OE2 2.84Å |
| 62 | L | 82.2 | Confident | 87.9 | Confident | 70 Ų | 70 | 60.6 Ų | 60.6 | 37% | 0.366 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -34.9 | -175.8 | -67.7 | 172.2 | 0 | 0 | 0 | 112.3 | V60 E64 N86 E94 C96 | V60-L62 PolarHBondContact O-N 2.95Å; L62-E64 PolarHBondContact O-N 3.39Å; L62-N86 HydrophobicContact CD1-CB 4.01Å; L62-N86 VanDerWaalsContact CD1-ND2 3.34Å; L62-N86 WeakPolarHBondContact CD1-ND2 3.47Å; L62-E94 WeakPolarHBondContact CB-O 3.29Å; L62-E94 HydrophobicContact CD1-CB 4.49Å; L62-E94 PolarHBondContact N-O 2.86Å; L62-C96 HydrophobicContact CD1-CB 4.14Å; L62-C96 HydrophobicContact CD2-CB 4.17Å; L62-C96 HydrophobicContact CG-CB 4.21Å |
| 63 | R | 74.7 | Confident | 88.4 | Confident | 174 Ų | 174 | 60.2 Ų | 60.2 | 66% | 0.657 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -35.9 | 179.2 | 178.8 | 177.5 | -179.4 | 159.4 | 0.8 | 112 | ||
| 64 | E | 73.7 | Confident | 88.5 | Confident | 93 Ų | 93 | 61 Ų | 61 | 44% | 0.435 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | 7 | -166.1 | -66.8 | -78.6 | 122.5 | 0 | 0 | 112.9 | L62 E66 R134 | L62-E64 PolarHBondContact O-N 3.39Å; E64-E66 VanDerWaalsContact C-N 3.28Å; E64-E66 PolarHBondContact O-N 3.26Å; E64-R134 VanDerWaalsContact CB-NH2 3.27Å; E64-R134 VanDerWaalsContact CD-NH1 3.33Å; E64-R134 VanDerWaalsContact CG-NH1 3.26Å; E64-R134 IonicContact OE2-CZ 3.88Å; E64-R134 IonicContact OE2-NH1 3.7Å; E64-R134 PolarHBondContact OE2-NH1 2.94Å; E64-R134 IonicContact OE2-NH2 3.91Å |
| 65 | K | 78.3 | Confident | 88.5 | Confident | 185 Ų | 185 | 61.7 Ų | 61.7 | 80% | 0.804 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 38.6 | -179.5 | -52.9 | 178 | -177.3 | 176.7 | 0 | 113.3 | E67 | K65-E67 PolarHBondContact O-N 3.43Š|
| 66 | E | 87.2 | Confident | 88.3 | Confident | 24 Ų | 24 | 67.2 Ų | 67.2 | 11% | 0.112 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -61 | 125.6 | 166.1 | -67.8 | -179.6 | -175.7 | 0 | 0 | 108.5 | V60 S61 E64 T130 I131 G132 R134 | V60-E66 HydrophobicContact CG1-CB 3.6Å; V60-E66 WeakPolarHBondContact CG1-O 3.49Å; S61-E66 PolarHBondContact N-OE2 3.36Å; S61-E66 PolarHBondContact O-N 2.91Å; E64-E66 VanDerWaalsContact C-N 3.28Å; E64-E66 PolarHBondContact O-N 3.26Å; E66-T130 PolarHBondContact OE1-OG1 3.19Å; E66-T130 VanDerWaalsContact OE2-CB 3.3Å; E66-T130 WeakPolarHBondContact OE2-CB 3.22Å; E66-T130 PolarHBondContact OE2-OG1 3.05Å; E66-I131 HydrophobicContact CB-CG2 3.91Å; E66-I131 HydrophobicContact CG-CG2 4.39Å; E66-I131 WeakPolarHBondContact OE2-CG2 3.23Å; E66-G132 WeakPolarHBondContact OE1-CA 3.47Å; E66-G132 PolarHBondContact OE1-N 2.98Å; E66-G132 PolarHBondContact OE2-N 3.44Å; E66-R134 IonicContact OE1-CZ 3.23Å; E66-R134 VanDerWaalsContact OE1-CZ 3.26Å; E66-R134 IonicContact OE1-NE 2.6Å; E66-R134 PolarHBondContact OE1-NE 3.04Å; E66-R134 IonicContact OE1-NH2 2.79Å; E66-R134 PolarHBondContact OE1-NH2 3.36Å |
| 67 | E | 86.2 | Confident | 88.1 | Confident | 172 Ų | 172 | 73.8 Ų | 73.8 | 80% | 0.804 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -75.4 | 145.6 | -177.6 | -64.2 | -168.4 | 156.6 | 0 | 0 | 111.3 | K65 P69 | K65-E67 PolarHBondContact O-N 3.43Å; E67-P69 WeakPolarHBondContact O-CD 3.46Å |
| 68 | I | 87.7 | Confident | 87.9 | Confident | 69 Ų | 69 | 74 Ų | 74 | 35% | 0.354 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -75.5 | 122.1 | 174.2 | -60.2 | 160.5 | 0 | 0 | 0 | 106.9 | Y72 C74 | I68-Y72 WeakPolarHBondContact CG2-O 3.35Å; I68-C74 HydrophobicContact CD1-CB 3.58Å; I68-C74 HydrophobicContact CG1-CB 4.24Å; I68-C74 HydrophobicContact CG2-CB 4.49Å |
| 69 | P | 87.5 | Confident | 87.5 | Confident | 38 Ų | 38 | 74 Ų | 74 | 25% | 0.247 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 158 | -176.2 | -14.1 | 26.4 | 0 | 0 | 0 | 112.4 | E67 G71 Y72 I131 | E67-P69 WeakPolarHBondContact O-CD 3.46Å; P69-G71 PolarHBondContact O-N 3.08Å; P69-Y72 HydrophobicContact CB-CD2 3.65Å; P69-Y72 HydrophobicContact CB-CE2 3.89Å; P69-Y72 HydrophobicContact CB-CG 4.46Å; P69-Y72 HydrophobicContact CG-CD2 4.07Å; P69-Y72 HydrophobicContact CG-CE2 4.29Å; P69-Y72 HydrophobicContact CG-CG 4.49Å; P69-Y72 WeakPolarHBondContact O-CB 3.5Å; P69-Y72 WeakPolarHBondContact O-CD2 3.49Å; P69-Y72 PolarHBondContact O-N 3.17Å; P69-Y72 VanDerWaalsContact O-N 3.07Å; P69-I131 HydrophobicContact CG-CD1 3.53Å; P69-I131 HydrophobicContact CG-CG1 4.17Å |
| 70 | E | 88.7 | Confident | 87.1 | Confident | 193 Ų | 193 | 76.4 Ų | 76.4 | 90% | 0.902 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 133.9 | 179.3 | -169 | 168.7 | -161.6 | 0 | 0 | 112.1 | Y72 | E70-Y72 VanDerWaalsContact C-N 3.31Å; E70-Y72 WeakPolarHBondContact O-CD2 3.38Å; E70-Y72 PolarHBondContact O-N 2.89Å |
| 71 | G | 88.4 | Confident | 86.9 | Confident | 58 Ų | 58 | 78.7 Ų | 78.7 | 60% | 0.598 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | -4.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | P69 | P69-G71 PolarHBondContact O-N 3.08Š|
| 72 | Y | 94 | Very high | 86.7 | Confident | 39 Ų | 39 | 86.5 Ų | 86.5 | 15% | 0.153 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 131.6 | 178.5 | -71.4 | -105.8 | 0 | 0 | 0 | 112.7 | D56 K58 I68 P69 E70 C98 Y99 R100 | D56-Y72 HydrophobicContact CB-CE1 4.23Å; D56-Y72 PolarHBondContact OD2-OH 3.47Å; D56-Y72 VanDerWaalsContact OD2-OH 3.09Å; K58-Y72 HydrophobicContact CB-CE1 4.4Å; K58-Y72 HydrophobicContact CG-CD1 4.15Å; K58-Y72 HydrophobicContact CG-CE1 3.55Å; I68-Y72 WeakPolarHBondContact CG2-O 3.35Å; P69-Y72 HydrophobicContact CB-CD2 3.65Å; P69-Y72 HydrophobicContact CB-CE2 3.89Å; P69-Y72 HydrophobicContact CB-CG 4.46Å; P69-Y72 HydrophobicContact CG-CD2 4.07Å; P69-Y72 HydrophobicContact CG-CE2 4.29Å; P69-Y72 HydrophobicContact CG-CG 4.49Å; P69-Y72 WeakPolarHBondContact O-CB 3.5Å; P69-Y72 WeakPolarHBondContact O-CD2 3.49Å; P69-Y72 PolarHBondContact O-N 3.17Å; P69-Y72 VanDerWaalsContact O-N 3.07Å; E70-Y72 VanDerWaalsContact C-N 3.31Å; E70-Y72 WeakPolarHBondContact O-CD2 3.38Å; E70-Y72 PolarHBondContact O-N 2.89Å; Y72-C98 HydrophobicContact CD1-CB 4.38Å; Y72-Y99 CarbonylContact C-O 3.58Å; Y72-Y99 WeakPolarHBondContact CA-O 3.3Å; Y72-R100 HydrophobicContact CD1-CB 3.72Å; Y72-R100 HydrophobicContact CD2-CB 4.14Å; Y72-R100 HydrophobicContact CD2-CG 4.48Å; Y72-R100 HydrophobicContact CE1-CB 3.56Å; Y72-R100 HydrophobicContact CE2-CB 4.04Å; Y72-R100 HydrophobicContact CE2-CG 4.37Å; Y72-R100 HydrophobicContact CG-CB 4Å |
| 73 | T | 93.8 | Very high | 87 | Confident | 68 Ų | 68 | 86.2 Ų | 86.2 | 42% | 0.417 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 131.4 | 170.2 | -59.8 | 0 | 0 | 0 | 0 | 109.8 | C98 Y99 | T73-C98 CarbonylContact O-C 3.49Å; T73-C98 VanDerWaalsContact O-CA 3.25Å; T73-C98 WeakPolarHBondContact O-CA 3.38Å; T73-Y99 HydrophobicContact CG2-CE1 4.09Å; T73-Y99 HydrophobicContact CG2-CE2 4.15Å; T73-Y99 PolarHBondContact N-O 2.59Å; T73-Y99 PolarHBondContact O-N 2.78Å |
| 74 | C | 92.7 | Very high | 87.5 | Confident | 22 Ų | 22 | 84.3 Ų | 84.3 | 15% | 0.149 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 126.1 | -175.9 | 173 | 0 | 0 | 0 | 0 | 111.6 | I68 K76 C96 C98 | I68-C74 HydrophobicContact CD1-CB 3.58Å; I68-C74 HydrophobicContact CG1-CB 4.24Å; I68-C74 HydrophobicContact CG2-CB 4.49Å; C74-K76 HydrophobicContact CB-CG 4.46Å; C74-K76 PolarHBondContact O-N 2.87Å; C74-C96 PolarHBondContact SG-SG 3.49Å; C74-C98 VanDerWaalsContact CB-SG 3.6Å |
| 75 | I | 93.6 | Very high | 88.1 | Confident | 15 Ų | 15 | 79.9 Ų | 79.9 | 8% | 0.077 | 41% | 0.408 | C | S | . | . | trans | -79 | 100.1 | 174.7 | -55.1 | 178.1 | 0 | 0 | 0 | 108.8 | A85 I97 Y99 L167 I169 | I75-A85 HydrophobicContact CG2-CB 3.96Å; I75-I97 PolarHBondContact N-O 2.99Å; I75-Y99 HydrophobicContact CD1-CD1 4.14Å; I75-Y99 HydrophobicContact CD1-CE1 4.16Å; I75-Y99 HydrophobicContact CG1-CD1 4.09Å; I75-Y99 HydrophobicContact CG1-CE1 3.93Å; I75-L167 HydrophobicContact CD1-CB 4.08Å; I75-L167 HydrophobicContact CD1-CD2 3.83Å; I75-L167 HydrophobicContact CD1-CG 3.66Å; I75-L167 VanDerWaalsContact CD1-O 3.27Å; I75-L167 WeakPolarHBondContact CD1-O 3.38Å; I75-I169 HydrophobicContact CG2-CD1 4.07Å; I75-I169 HydrophobicContact CG2-CG1 4.32Å | ||
| 76 | K | 88.7 | Confident | 88.5 | Confident | 117 Ų | 117 | 72 Ų | 72 | 51% | 0.509 | 38% | 0.375 | S | S | . | . | trans | -95.5 | -26.7 | -179.8 | -63.6 | 176.8 | -177.5 | 176.3 | 0 | 113.2 | C74 A85 | C74-K76 HydrophobicContact CB-CG 4.46Å; C74-K76 PolarHBondContact O-N 2.87Å; K76-A85 PolarHBondContact O-N 3.39Å; K76-A85 VanDerWaalsContact O-N 3.08Å | ||
| 77 | Y | 92.1 | Very high | 88.4 | Confident | 147 Ų | 147 | 71 Ų | 71 | 58% | 0.576 | 37% | 0.37 | S | S | * | . | B | Isolated β-bridge | trans | -129.3 | 155.5 | -174.9 | -61.1 | -80.6 | 0 | 0 | 0 | 111.5 | H83 A85 | Y77-H83 CarbonylContact C-O 3.49Å; Y77-H83 WeakPolarHBondContact CA-O 3.42Å; Y77-A85 VanDerWaalsContact C-CB 3.44Å; Y77-A85 WeakPolarHBondContact O-CB 3.25Å |
| 78 | S | 90.9 | Very high | 88.3 | Confident | 5 Ų | 5 | 63.9 Ų | 63.9 | 4% | 0.035 | 34% | 0.338 | C | S | . | . | trans | -68.8 | 169.1 | 171.6 | 68.6 | 0 | 0 | 0 | 0 | 111.6 | S80 G81 H83 I169 E176 | S78-S80 PolarHBondContact O-N 3.32Å; S78-S80 VanDerWaalsContact O-N 3.09Å; S78-G81 WeakPolarHBondContact O-CA 3.31Å; S78-G81 PolarHBondContact O-N 2.92Å; S78-H83 PolarHBondContact N-O 3.24Å; S78-H83 PolarHBondContact OG-N 3.31Å; S78-I169 CarbonylContact C-O 3.52Å; S78-I169 WeakPolarHBondContact CA-O 3.12Å; S78-E176 VanDerWaalsContact CB-OE1 3.3Å; S78-E176 WeakPolarHBondContact CB-OE1 3.47Å; S78-E176 VanDerWaalsContact CB-OE2 3.27Å; S78-E176 WeakPolarHBondContact CB-OE2 3.11Å; S78-E176 PolarHBondContact OG-OE1 2.81Å; S78-E176 PolarHBondContact OG-OE2 3.35Å | ||
| 79 | V | 86.7 | Confident | 87.9 | Confident | 62 Ų | 62 | 60.7 Ų | 60.7 | 38% | 0.376 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -22.5 | -172.5 | 79.3 | 0 | 0 | 0 | 0 | 114.6 | G81 C168 I169 I170 P179 | V79-G81 VanDerWaalsContact C-N 3.31Å; V79-C168 HydrophobicContact CB-CB 4.41Å; V79-C168 HydrophobicContact CG2-CB 4.15Å; V79-I169 PolarHBondContact N-O 2.8Å; V79-I170 HydrophobicContact CB-CG2 4.23Å; V79-I170 HydrophobicContact CG1-CG2 3.73Å; V79-P179 HydrophobicContact CG2-CG 3.71Å |
| 80 | S | 83 | Confident | 87.2 | Confident | 52 Ų | 52 | 62.3 Ų | 62.3 | 36% | 0.364 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -10.1 | 173.2 | 71 | 0 | 0 | 0 | 0 | 114.2 | S78 K82 E176 | S78-S80 PolarHBondContact O-N 3.32Å; S78-S80 VanDerWaalsContact O-N 3.09Å; S80-K82 PolarHBondContact O-N 2.6Å; S80-K82 WeakPolarHBondContact OG-CB 3.28Å; S80-K82 PolarHBondContact OG-N 3.03Å; S80-E176 WeakPolarHBondContact CB-OE1 3.17Å; S80-E176 PolarHBondContact N-OE1 3.38Å; S80-E176 PolarHBondContact OG-OE1 3.33Å |
| 81 | G | 86.1 | Confident | 86.3 | Confident | 49 Ų | 49 | 59.4 Ų | 59.4 | 51% | 0.505 | 31% | 0.312 | S | S | . | . | S | Bend | trans | 73.9 | -1.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | S78 V79 | S78-G81 WeakPolarHBondContact O-CA 3.31Å; S78-G81 PolarHBondContact O-N 2.92Å; V79-G81 VanDerWaalsContact C-N 3.31Å |
| 82 | K | 84.5 | Confident | 85.4 | Confident | 165 Ų | 165 | 58.5 Ų | 58.5 | 72% | 0.717 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -93.5 | -18.5 | -169.4 | -60.4 | 175.3 | -175.6 | 175.6 | 0 | 114.9 | S80 | S80-K82 PolarHBondContact O-N 2.6Å; S80-K82 WeakPolarHBondContact OG-CB 3.28Å; S80-K82 PolarHBondContact OG-N 3.03Å |
| 83 | H | 88.3 | Confident | 84.6 | Confident | 63 Ų | 63 | 58.2 Ų | 58.2 | 29% | 0.292 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -129.5 | 151 | -172.5 | -53.6 | -45 | 0 | 0 | 0 | 110.8 | Y77 S78 I171 K174 E176 | Y77-H83 CarbonylContact C-O 3.49Å; Y77-H83 WeakPolarHBondContact CA-O 3.42Å; S78-H83 PolarHBondContact N-O 3.24Å; S78-H83 PolarHBondContact OG-N 3.31Å; H83-I171 HydrophobicContact CB-CD1 3.6Å; H83-K174 WeakPolarHBondContact NE2-CB 3.31Å; H83-E176 IonicContact CD2-OE1 2.76Å |
| 84 | K | 86.2 | Confident | 84.1 | Confident | 134 Ų | 134 | 59.1 Ų | 59.1 | 58% | 0.583 | 30% | 0.303 | S | S | * | . | B | Isolated β-bridge | trans | -68.1 | 142.5 | 173 | -69.4 | -174.6 | 176.9 | -176.6 | 0 | 110 | ||
| 85 | A | 85.3 | Confident | 83.8 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.296 | C | S | . | . | trans | -107.2 | 25.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I75 K76 Y77 I87 I169 | I75-A85 HydrophobicContact CG2-CB 3.96Å; K76-A85 PolarHBondContact O-N 3.39Å; K76-A85 VanDerWaalsContact O-N 3.08Å; Y77-A85 VanDerWaalsContact C-CB 3.44Å; Y77-A85 WeakPolarHBondContact O-CB 3.25Å; A85-I87 PolarHBondContact O-N 3.28Å; A85-I169 HydrophobicContact CB-CB 4Å; A85-I169 HydrophobicContact CB-CD1 3.94Å; A85-I169 HydrophobicContact CB-CG2 4.15Å | ||
| 86 | N | 86.6 | Confident | 83.7 | Confident | 20 Ų | 20 | 57.4 Ų | 57.4 | 11% | 0.107 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 121.7 | 178.7 | -60.4 | 8.6 | 0 | 0 | 0 | 109.2 | L62 E94 A95 I191 | L62-N86 HydrophobicContact CD1-CB 4.01Å; L62-N86 VanDerWaalsContact CD1-ND2 3.34Å; L62-N86 WeakPolarHBondContact CD1-ND2 3.47Å; N86-E94 HydrophobicContact CB-CB 4.43Å; N86-E94 HydrophobicContact CB-CG 4.46Å; N86-E94 PolarHBondContact ND2-OE2 3.25Å; N86-A95 CarbonylContact C-O 3.54Å; N86-A95 WeakPolarHBondContact CA-O 3.4Å; N86-I191 CarbonylContact O-C 3.58Å; N86-I191 WeakPolarHBondContact O-CA 3.49Å; N86-I191 WeakPolarHBondContact O-CB 3.44Å; N86-I191 WeakPolarHBondContact O-CG2 3.44Å |
| 87 | I | 86.2 | Confident | 83.9 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 143.9 | 176.9 | 68.5 | 175.4 | 0 | 0 | 0 | 109.9 | I59 A85 L89 E94 A95 I97 L138 I169 I189 I191 | I59-I87 HydrophobicContact CD1-CD1 4.46Å; I59-I87 HydrophobicContact CG2-CD1 4.19Å; A85-I87 PolarHBondContact O-N 3.28Å; I87-L89 HydrophobicContact CD1-CD2 4.34Å; I87-E94 WeakPolarHBondContact O-CA 3.32Å; I87-A95 HydrophobicContact CD1-CB 4.46Å; I87-A95 HydrophobicContact CG1-CB 3.93Å; I87-A95 PolarHBondContact N-O 2.87Å; I87-A95 PolarHBondContact O-N 2.89Å; I87-I97 HydrophobicContact CD1-CG1 3.99Å; I87-I97 HydrophobicContact CG2-CD1 4.35Å; I87-I97 HydrophobicContact CG2-CG1 4.31Å; I87-L138 HydrophobicContact CD1-CD2 3.99Å; I87-I169 HydrophobicContact CG2-CD1 4.35Å; I87-I189 HydrophobicContact CG2-CD1 3.68Å; I87-I191 HydrophobicContact CG2-CG2 4.47Å |
| 88 | L | 82.2 | Confident | 84 | Confident | 23 Ų | 23 | 44.9 Ų | 44.9 | 12% | 0.12 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 128.3 | 173.8 | -167.7 | 76.2 | 0 | 0 | 0 | 109.2 | P139 C190 | L88-P139 WeakPolarHBondContact O-CD 3.31Å; L88-P139 WeakPolarHBondContact O-CG 3.42Å; L88-C190 HydrophobicContact CB-CB 4.32Å; L88-C190 PolarHBondContact N-O 2.82Å |
| 89 | L | 80.4 | Confident | 84.2 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -88.6 | 161 | 170.9 | -56.4 | -178.9 | 0 | 0 | 0 | 110.8 | I87 F91 G92 E93 A95 T130 D137 L138 | I87-L89 HydrophobicContact CD1-CD2 4.34Å; L89-F91 PolarHBondContact O-N 2.89Å; L89-G92 PolarHBondContact O-N 3.4Å; L89-E93 HydrophobicContact CB-CB 4.49Å; L89-E93 HydrophobicContact CD1-CB 4.42Å; L89-E93 PolarHBondContact N-O 2.82Å; L89-A95 HydrophobicContact CD1-CB 4.05Å; L89-A95 HydrophobicContact CD2-CB 4.46Å; L89-A95 HydrophobicContact CG-CB 4.13Å; L89-T130 HydrophobicContact CD1-CG2 4.06Å; L89-D137 CarbonylContact C-O 3.52Å; L89-D137 WeakPolarHBondContact CA-O 3.46Å; L89-L138 HydrophobicContact CD2-CD2 4.36Å |
| 90 | N | 71.9 | Confident | 84.6 | Confident | 72 Ų | 72 | 44.4 Ų | 44.4 | 39% | 0.385 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -27.9 | -179.2 | -86.8 | -14.9 | 0 | 0 | 0 | 114.5 | G92 D137 P139 | N90-G92 VanDerWaalsContact C-N 3.26Å; N90-G92 PolarHBondContact O-N 2.86Å; N90-D137 HydrophobicContact CB-CB 3.9Å; N90-D137 PolarHBondContact N-O 3.34Å; N90-D137 VanDerWaalsContact ND2-CB 3.32Å; N90-D137 WeakPolarHBondContact ND2-CB 3.48Å; N90-P139 WeakPolarHBondContact OD1-CA 3.42Å; N90-P139 VanDerWaalsContact OD1-CB 3.29Å; N90-P139 WeakPolarHBondContact OD1-CB 3.3Å |
| 91 | F | 69.4 | Low | 85 | Confident | 132 Ų | 132 | 45 Ų | 45 | 58% | 0.579 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | 4.2 | 179.5 | -56.3 | -81 | 0 | 0 | 0 | 113.9 | L89 E93 A135 | L89-F91 PolarHBondContact O-N 2.89Å; F91-E93 VanDerWaalsContact C-N 3.3Å; F91-A135 HydrophobicContact CE2-CB 3.91Å; F91-A135 HydrophobicContact CZ-CB 4.5Å |
| 92 | G | 70.2 | Confident | 85.2 | Confident | 40 Ų | 40 | 42.9 Ų | 42.9 | 41% | 0.412 | 20% | 0.204 | S | C | . | . | S | Bend | trans | 75.8 | 16.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L89 N90 | L89-G92 PolarHBondContact O-N 3.4Å; N90-G92 VanDerWaalsContact C-N 3.26Å; N90-G92 PolarHBondContact O-N 2.86Å |
| 93 | E | 76.6 | Confident | 85.1 | Confident | 32 Ų | 32 | 39 Ų | 39 | 15% | 0.15 | 19% | 0.185 | C | C | . | . | trans | -80.4 | 135.4 | 171.3 | -69.1 | -173 | -150.4 | 0 | 0 | 110.8 | S61 L89 F91 R134 | S61-E93 WeakPolarHBondContact CB-OE2 2.94Å; S61-E93 PolarHBondContact OG-OE2 2.84Å; L89-E93 HydrophobicContact CB-CB 4.49Å; L89-E93 HydrophobicContact CD1-CB 4.42Å; L89-E93 PolarHBondContact N-O 2.82Å; F91-E93 VanDerWaalsContact C-N 3.3Å; E93-R134 WeakPolarHBondContact OE1-CD 3.37Å; E93-R134 WeakPolarHBondContact OE2-CD 3.33Å; E93-R134 IonicContact OE2-NE 3.31Å | ||
| 94 | E | 83.9 | Confident | 84.9 | Confident | 87 Ų | 87 | 40.6 Ų | 40.6 | 41% | 0.407 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 128.4 | 162.9 | -73.3 | -172.9 | -161.6 | 0 | 0 | 109.6 | L62 N86 I87 | L62-E94 WeakPolarHBondContact CB-O 3.29Å; L62-E94 HydrophobicContact CD1-CB 4.49Å; L62-E94 PolarHBondContact N-O 2.86Å; N86-E94 HydrophobicContact CB-CB 4.43Å; N86-E94 HydrophobicContact CB-CG 4.46Å; N86-E94 PolarHBondContact ND2-OE2 3.25Å; I87-E94 WeakPolarHBondContact O-CA 3.32Å |
| 95 | A | 87.3 | Confident | 84.9 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 168.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | I59 V60 N86 I87 L89 | I59-A95 HydrophobicContact CG2-CB 3.78Å; V60-A95 CarbonylContact O-C 3.59Å; V60-A95 WeakPolarHBondContact O-CA 3.16Å; V60-A95 VanDerWaalsContact O-CB 3.31Å; V60-A95 WeakPolarHBondContact O-CB 3.49Å; N86-A95 CarbonylContact C-O 3.54Å; N86-A95 WeakPolarHBondContact CA-O 3.4Å; I87-A95 HydrophobicContact CD1-CB 4.46Å; I87-A95 HydrophobicContact CG1-CB 3.93Å; I87-A95 PolarHBondContact N-O 2.87Å; I87-A95 PolarHBondContact O-N 2.89Å; L89-A95 HydrophobicContact CD1-CB 4.05Å; L89-A95 HydrophobicContact CD2-CB 4.46Å; L89-A95 HydrophobicContact CG-CB 4.13Å |
| 96 | C | 90.1 | Very high | 84.9 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.007 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 151.6 | 170.9 | 59.5 | 0 | 0 | 0 | 0 | 111.3 | V60 L62 C74 | V60-C96 PolarHBondContact N-O 2.84Å; V60-C96 PolarHBondContact O-N 2.8Å; L62-C96 HydrophobicContact CD1-CB 4.14Å; L62-C96 HydrophobicContact CD2-CB 4.17Å; L62-C96 HydrophobicContact CG-CB 4.21Å; C74-C96 PolarHBondContact SG-SG 3.49Å |
| 97 | I | 93.4 | Very high | 85.2 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 127.6 | 171.7 | -55.2 | -177.9 | 0 | 0 | 0 | 108 | I57 I75 I87 L148 L167 I169 I200 | I57-I97 HydrophobicContact CG2-CG2 3.76Å; I75-I97 PolarHBondContact N-O 2.99Å; I87-I97 HydrophobicContact CD1-CG1 3.99Å; I87-I97 HydrophobicContact CG2-CD1 4.35Å; I87-I97 HydrophobicContact CG2-CG1 4.31Å; I97-L148 HydrophobicContact CD1-CD2 4.23Å; I97-L167 HydrophobicContact CG2-CD2 3.91Å; I97-I169 HydrophobicContact CD1-CD1 4.1Å; I97-I200 HydrophobicContact CD1-CD1 3.56Å; I97-I200 HydrophobicContact CD1-CG1 3.94Å |
| 98 | C | 94.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 140 | 175.3 | -61.2 | 0 | 0 | 0 | 0 | 109.3 | I57 K58 V60 Y72 T73 C74 | I57-C98 CarbonylContact C-O 3.55Å; I57-C98 WeakPolarHBondContact CA-O 3.24Å; K58-C98 PolarHBondContact N-O 2.62Å; K58-C98 PolarHBondContact O-N 2.92Å; V60-C98 HydrophobicContact CG2-CB 4.28Å; Y72-C98 HydrophobicContact CD1-CB 4.38Å; T73-C98 CarbonylContact O-C 3.49Å; T73-C98 VanDerWaalsContact O-CA 3.25Å; T73-C98 WeakPolarHBondContact O-CA 3.38Å; C74-C98 VanDerWaalsContact CB-SG 3.6Å |
| 99 | Y | 95.8 | Very high | 85.9 | Confident | 22 Ų | 22 | 42.2 Ų | 42.2 | 9% | 0.086 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 146.8 | 180 | 66.9 | -103 | 0 | 0 | 0 | 110.9 | I54 D56 Y72 T73 I75 R101 L167 | I54-Y99 HydrophobicContact CD1-CD2 3.8Å; I54-Y99 HydrophobicContact CD1-CE2 4.24Å; I54-Y99 HydrophobicContact CD1-CG 3.99Å; I54-Y99 HydrophobicContact CG1-CD2 4.11Å; D56-Y99 CarbonylContact O-C 3.52Å; D56-Y99 WeakPolarHBondContact O-CA 3.35Å; Y72-Y99 CarbonylContact C-O 3.58Å; Y72-Y99 WeakPolarHBondContact CA-O 3.3Å; T73-Y99 HydrophobicContact CG2-CE1 4.09Å; T73-Y99 HydrophobicContact CG2-CE2 4.15Å; T73-Y99 PolarHBondContact N-O 2.59Å; T73-Y99 PolarHBondContact O-N 2.78Å; I75-Y99 HydrophobicContact CD1-CD1 4.14Å; I75-Y99 HydrophobicContact CD1-CE1 4.16Å; I75-Y99 HydrophobicContact CG1-CD1 4.09Å; I75-Y99 HydrophobicContact CG1-CE1 3.93Å; Y99-R101 HydrophobicContact CD2-CG 4.25Å; Y99-R101 HydrophobicContact CE2-CG 4.07Å; Y99-L167 HydrophobicContact CD1-CB 3.99Å; Y99-L167 HydrophobicContact CD1-CD2 3.99Å; Y99-L167 HydrophobicContact CE1-CB 4.14Å; Y99-L167 HydrophobicContact CG-CD2 4.47Å |
| 100 | R | 94.8 | Very high | 86.3 | Confident | 35 Ų | 35 | 43.4 Ų | 43.4 | 13% | 0.132 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 133 | 174.4 | -172.6 | 173.5 | 71.6 | 83.5 | -6 | 110 | I54 V55 D56 Y72 D104 | I54-R100 WeakPolarHBondContact CA-O 3.43Å; V55-R100 HydrophobicContact CG2-CG 4.39Å; V55-R100 WeakPolarHBondContact CG2-O 3.32Å; V55-R100 PolarHBondContact N-O 2.93Å; D56-R100 PolarHBondContact N-O 3.23Å; D56-R100 PolarHBondContact O-N 3.39Å; Y72-R100 HydrophobicContact CD1-CB 3.72Å; Y72-R100 HydrophobicContact CD2-CB 4.14Å; Y72-R100 HydrophobicContact CD2-CG 4.48Å; Y72-R100 HydrophobicContact CE1-CB 3.56Å; Y72-R100 HydrophobicContact CE2-CB 4.04Å; Y72-R100 HydrophobicContact CE2-CG 4.37Å; Y72-R100 HydrophobicContact CG-CB 4Å; R100-D104 IonicContact CZ-OD1 3.97Å; R100-D104 IonicContact CZ-OD2 2.65Å; R100-D104 VanDerWaalsContact NH1-CG 3.29Å; R100-D104 IonicContact NH1-OD1 3.27Å; R100-D104 PolarHBondContact NH1-OD1 3.45Å; R100-D104 IonicContact NH1-OD2 2.73Å; R100-D104 PolarHBondContact NH1-OD2 3.27Å; R100-D104 VanDerWaalsContact NH1-OD2 3.15Å; R100-D104 IonicContact NH2-OD1 3.78Å; R100-D104 IonicContact NH2-OD2 2.76Å; R100-D104 PolarHBondContact NH2-OD2 2.91Å |
| 101 | R | 91.8 | Very high | 87.3 | Confident | 64 Ų | 64 | 40.1 Ų | 40.1 | 24% | 0.242 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 153.6 | 169.4 | -66.5 | 177.8 | 177.6 | -83.8 | 1.7 | 109.7 | E52 P53 I54 Y99 T165 D166 | E52-R101 HydrophobicContact CB-CB 4.07Å; E52-R101 PolarHBondContact O-NH1 2.76Å; P53-R101 WeakPolarHBondContact O-CA 3.41Å; I54-R101 HydrophobicContact CG1-CG 4.36Å; Y99-R101 HydrophobicContact CD2-CG 4.25Å; Y99-R101 HydrophobicContact CE2-CG 4.07Å; R101-T165 VanDerWaalsContact CZ-O 3.23Å; R101-T165 PolarHBondContact NH1-O 3.13Å; R101-T165 PolarHBondContact NH2-O 3.25Å; R101-D166 IonicContact NH2-OD1 2.76Å; R101-D166 PolarHBondContact NH2-OD1 3.46Å |
| 102 | G | 89 | Confident | 88.2 | Confident | 4 Ų | 4 | 35.6 Ų | 35.6 | 4% | 0.041 | 17% | 0.174 | C | C | . | . | trans | 163.2 | -175.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E52 P53 V55 | E52-G102 WeakPolarHBondContact OE2-CA 3.49Å; P53-G102 WeakPolarHBondContact CG-O 3.45Å; P53-G102 PolarHBondContact O-N 3.34Å; P53-G102 VanDerWaalsContact O-N 3.14Å; V55-G102 VanDerWaalsContact CG1-O 3.25Å; V55-G102 WeakPolarHBondContact CG1-O 3.13Å | ||
| 103 | R | 82.4 | Confident | 89 | Confident | 83 Ų | 83 | 34.1 Ų | 34.1 | 31% | 0.313 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -135.6 | 6.2 | 175.7 | -61.5 | -178 | 176.2 | 113.1 | -10.8 | 113 | E52 P53 Q105 Q209 | E52-R103 IonicContact OE1-CZ 3.58Å; E52-R103 IonicContact OE1-NE 3.56Å; E52-R103 IonicContact OE1-NH1 2.77Å; E52-R103 PolarHBondContact OE1-NH1 3.21Å; P53-R103 HydrophobicContact CG-CG 4.44Å; R103-Q105 VanDerWaalsContact C-N 3.3Å; R103-Q209 VanDerWaalsContact CD-CD 3.45Å; R103-Q209 VanDerWaalsContact CD-CG 3.5Å |
| 104 | D | 84.3 | Confident | 89.4 | Confident | 98 Ų | 98 | 33.7 Ų | 33.7 | 52% | 0.524 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -73.7 | -16.1 | 176.4 | 61.3 | -69.8 | 0 | 0 | 0 | 114 | R100 | R100-D104 IonicContact CZ-OD1 3.97Å; R100-D104 IonicContact CZ-OD2 2.65Å; R100-D104 VanDerWaalsContact NH1-CG 3.29Å; R100-D104 IonicContact NH1-OD1 3.27Å; R100-D104 PolarHBondContact NH1-OD1 3.45Å; R100-D104 IonicContact NH1-OD2 2.73Å; R100-D104 PolarHBondContact NH1-OD2 3.27Å; R100-D104 VanDerWaalsContact NH1-OD2 3.15Å; R100-D104 IonicContact NH2-OD1 3.78Å; R100-D104 IonicContact NH2-OD2 2.76Å; R100-D104 PolarHBondContact NH2-OD2 2.91Å |
| 105 | Q | 86 | Confident | 89.2 | Confident | 81 Ų | 81 | 30.1 Ų | 30.1 | 38% | 0.379 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -135.2 | 153.5 | 179.5 | -77 | 177.4 | 18.4 | 0 | 0 | 110.5 | V55 R103 F107 | V55-Q105 HydrophobicContact CB-CB 4.16Å; V55-Q105 VanDerWaalsContact CG1-O 3.3Å; V55-Q105 WeakPolarHBondContact CG1-O 3.47Å; R103-Q105 VanDerWaalsContact C-N 3.3Å; Q105-F107 PolarHBondContact O-N 3.27Å |
| 106 | P | 86.8 | Confident | 88.4 | Confident | 36 Ų | 36 | 34.8 Ų | 34.8 | 23% | 0.234 | 16% | 0.164 | C | C | . | . | P | Polyproline II helix | trans | -58 | 127.3 | 173.6 | -24 | 34.3 | 0 | 0 | 0 | 111.6 | R152 G153 V155 | P106-R152 HydrophobicContact CB-CG 4.18Å; P106-R152 WeakPolarHBondContact O-CG 3.04Å; P106-R152 PolarHBondContact O-NH1 3.48Å; P106-G153 VanDerWaalsContact CB-O 3.23Å; P106-G153 WeakPolarHBondContact CB-O 3.21Å; P106-V155 HydrophobicContact CG-CG2 3.86Å |
| 107 | F | 91.8 | Very high | 87.5 | Confident | 12 Ų | 12 | 43.5 Ų | 43.5 | 5% | 0.053 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -57.7 | 156.8 | -176.9 | 57.9 | -87.9 | 0 | 0 | 0 | 113.9 | P53 Q105 R109 G153 C161 A163 V207 | P53-F107 HydrophobicContact CB-CB 3.92Å; P53-F107 HydrophobicContact CG-CB 4.19Å; Q105-F107 PolarHBondContact O-N 3.27Å; F107-R109 HydrophobicContact CD2-CG 3.96Å; F107-R109 HydrophobicContact CE2-CG 3.48Å; F107-R109 VanDerWaalsContact CE2-CG 3.48Å; F107-R109 HydrophobicContact CZ-CG 4.39Å; F107-G153 PolarHBondContact O-N 3.31Å; F107-C161 HydrophobicContact CE2-CB 4.15Å; F107-C161 HydrophobicContact CZ-CB 3.65Å; F107-A163 HydrophobicContact CB-CB 3.93Å; F107-A163 HydrophobicContact CD2-CB 3.42Å; F107-A163 VanDerWaalsContact CD2-CB 3.42Å; F107-A163 HydrophobicContact CE2-CB 4.1Å; F107-A163 HydrophobicContact CG-CB 3.84Å; F107-V207 HydrophobicContact CD1-CG1 4.28Å; F107-V207 HydrophobicContact CD1-CG2 3.64Å; F107-V207 HydrophobicContact CD2-CG2 3.97Å; F107-V207 HydrophobicContact CE1-CG1 4.29Å; F107-V207 HydrophobicContact CE1-CG2 3.47Å; F107-V207 VanDerWaalsContact CE1-CG2 3.47Å; F107-V207 HydrophobicContact CE2-CG2 3.76Å; F107-V207 HydrophobicContact CG-CG2 3.9Å; F107-V207 HydrophobicContact CZ-CG2 3.53Å |
| 108 | I | 94.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 127.4 | 169.7 | -62.5 | -178.9 | 0 | 0 | 0 | 109.2 | I54 I57 D110 I111 Y150 L151 A163 V164 | I54-I108 HydrophobicContact CG2-CD1 4.01Å; I54-I108 WeakPolarHBondContact O-CB 3.39Å; I54-I108 WeakPolarHBondContact O-CG1 3.41Å; I54-I108 PolarHBondContact O-N 3.37Å; I57-I108 HydrophobicContact CD1-CD1 3.65Å; I57-I108 HydrophobicContact CG1-CD1 3.68Å; I108-D110 WeakPolarHBondContact CG2-O 2.95Å; I108-I111 HydrophobicContact CG2-CG1 4.02Å; I108-Y150 HydrophobicContact CD1-CD1 4.04Å; I108-Y150 HydrophobicContact CD1-CD2 3.69Å; I108-Y150 HydrophobicContact CD1-CE1 4.27Å; I108-Y150 HydrophobicContact CD1-CE2 3.98Å; I108-Y150 HydrophobicContact CD1-CG 3.75Å; I108-Y150 HydrophobicContact CG1-CD2 3.71Å; I108-Y150 HydrophobicContact CG1-CE2 4.02Å; I108-Y150 HydrophobicContact CG1-CG 4.22Å; I108-Y150 HydrophobicContact CG2-CD2 4.23Å; I108-Y150 HydrophobicContact CG2-CG 4.3Å; I108-L151 CarbonylContact C-O 3.56Å; I108-L151 WeakPolarHBondContact CA-O 3.16Å; I108-A163 CarbonylContact O-C 3.11Å; I108-A163 WeakPolarHBondContact O-CA 3.28Å; I108-V164 HydrophobicContact CB-CB 4.43Å; I108-V164 HydrophobicContact CB-CG2 4.41Å; I108-V164 HydrophobicContact CG2-CB 4.34Å; I108-V164 HydrophobicContact CG2-CG2 3.86Å; I108-V164 PolarHBondContact O-N 3.04Å |
| 109 | R | 88.6 | Confident | 85.5 | Confident | 84 Ų | 84 | 54.6 Ų | 54.6 | 32% | 0.317 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -31.6 | 178.3 | -80.7 | 179.5 | 171.7 | -157.3 | -0.5 | 113.4 | F107 L151 S157 K204 | F107-R109 HydrophobicContact CD2-CG 3.96Å; F107-R109 HydrophobicContact CE2-CG 3.48Å; F107-R109 VanDerWaalsContact CE2-CG 3.48Å; F107-R109 HydrophobicContact CZ-CG 4.39Å; R109-L151 HydrophobicContact CB-CB 4.38Å; R109-L151 HydrophobicContact CB-CD2 4.11Å; R109-L151 PolarHBondContact N-O 3.16Å; R109-S157 PolarHBondContact NH2-OG 3.02Å; R109-K204 VanDerWaalsContact O-CE 3.27Å; R109-K204 WeakPolarHBondContact O-CE 3.5Å; R109-K204 PolarHBondContact O-NZ 3.49Å |
| 110 | D | 89.6 | Confident | 84.5 | Confident | 26 Ų | 26 | 57.2 Ų | 57.2 | 14% | 0.139 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 154.6 | -176.4 | -138.9 | 29.5 | 0 | 0 | 0 | 111.5 | I108 Y150 L151 R183 Y202 K204 | I108-D110 WeakPolarHBondContact CG2-O 2.95Å; D110-Y150 CarbonylContact O-C 3.55Å; D110-Y150 VanDerWaalsContact O-CA 3.24Å; D110-Y150 WeakPolarHBondContact O-CA 3.39Å; D110-Y150 WeakPolarHBondContact O-CB 3.43Å; D110-L151 HydrophobicContact CB-CB 3.95Å; D110-L151 PolarHBondContact O-N 3.44Å; D110-R183 IonicContact OD1-CZ 2.76Å; D110-R183 IonicContact OD1-NH1 2.74Å; D110-R183 PolarHBondContact OD1-NH1 3.09Å; D110-R183 IonicContact OD2-CZ 2.77Å; D110-R183 IonicContact OD2-NH1 2.72Å; D110-R183 PolarHBondContact OD2-NH1 3.29Å; D110-Y202 PolarHBondContact OD1-OH 3.45Å; D110-K204 WeakPolarHBondContact OD1-CE 3.44Å; D110-K204 IonicContact OD1-NZ 3.71Å; D110-K204 PolarHBondContact OD1-NZ 2.95Å |
| 111 | I | 92.4 | Very high | 83.7 | Confident | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.015 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 134.5 | 174.5 | -60.4 | 168.8 | 0 | 0 | 0 | 108.5 | I57 I108 L148 V164 L167 V185 Y202 | I57-I111 HydrophobicContact CD1-CD1 3.52Å; I57-I111 HydrophobicContact CD1-CG1 4.03Å; I108-I111 HydrophobicContact CG2-CG1 4.02Å; I111-L148 HydrophobicContact CG2-CD1 3.76Å; I111-V164 HydrophobicContact CD1-CG1 4.03Å; I111-V164 HydrophobicContact CD1-CG2 4.35Å; I111-V164 HydrophobicContact CG1-CG2 4.34Å; I111-L167 HydrophobicContact CD1-CD1 3.71Å; I111-V185 HydrophobicContact CG2-CG2 4.19Å; I111-Y202 HydrophobicContact CB-CD1 3.98Å; I111-Y202 HydrophobicContact CB-CE1 3.79Å; I111-Y202 HydrophobicContact CB-CE2 4.43Å; I111-Y202 HydrophobicContact CB-CG 4.37Å; I111-Y202 HydrophobicContact CD1-CD1 4.35Å; I111-Y202 HydrophobicContact CD1-CD2 4.44Å; I111-Y202 HydrophobicContact CD1-CG 4.07Å; I111-Y202 PolarHBondContact N-OH 3.43Å; I111-Y202 WeakPolarHBondContact O-CE1 3.4Å; I111-Y202 PolarHBondContact O-OH 2.9Å |
| 112 | D | 88.7 | Confident | 83 | Confident | 38 Ų | 38 | 64 Ų | 64 | 20% | 0.203 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 165.5 | -171.8 | -154.1 | -9 | 0 | 0 | 0 | 111 | K121 S149 | D112-K121 IonicContact OD2-NZ 3.36Å; D112-K121 PolarHBondContact OD2-NZ 3.11Å; D112-S149 PolarHBondContact N-O 3.27Å; D112-S149 CarbonylContact O-C 3.42Å; D112-S149 WeakPolarHBondContact O-CA 3.42Å; D112-S149 PolarHBondContact O-N 3.36Å; D112-S149 PolarHBondContact O-OG 2.81Å |
| 113 | T | 87.6 | Confident | 82.5 | Confident | 9 Ų | 9 | 68.5 Ų | 68.5 | 6% | 0.055 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 125.4 | 179.2 | 43.3 | 0 | 0 | 0 | 0 | 111.4 | L146 F147 V185 E187 | T113-L146 HydrophobicContact CG2-CD2 3.99Å; T113-L146 HydrophobicContact CG2-CG 4.41Å; T113-F147 CarbonylContact C-O 3.52Å; T113-F147 WeakPolarHBondContact CA-O 3.03Å; T113-V185 HydrophobicContact CG2-CG1 3.77Å; T113-E187 HydrophobicContact CG2-CB 4.35Å; T113-E187 WeakPolarHBondContact OG1-CB 3.35Å; T113-E187 VanDerWaalsContact OG1-CG 3.31Å; T113-E187 WeakPolarHBondContact OG1-CG 3.28Å |
| 114 | L | 83.4 | Confident | 82.7 | Confident | 23 Ų | 23 | 65.8 Ų | 65.8 | 12% | 0.12 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 123.5 | -176.8 | -166.2 | 73.6 | 0 | 0 | 0 | 110.8 | Q118 P120 V126 F147 | L114-Q118 HydrophobicContact CD1-CB 3.62Å; L114-Q118 HydrophobicContact CG-CB 4.26Å; L114-P120 HydrophobicContact CD2-CB 4.02Å; L114-V126 HydrophobicContact CD2-CG1 4.38Å; L114-V126 HydrophobicContact CD2-CG2 3.65Å; L114-F147 PolarHBondContact N-O 3.08Å; L114-F147 PolarHBondContact O-N 2.95Å |
| 115 | G | 80.1 | Confident | 83 | Confident | 12 Ų | 12 | 63.6 Ų | 63.6 | 12% | 0.124 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 150.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | K117 Q118 | G115-K117 PolarHBondContact O-N 2.83Å; G115-Q118 WeakPolarHBondContact O-CB 3.38Å; G115-Q118 PolarHBondContact O-N 3.46Å |
| 116 | E | 71 | Confident | 83.3 | Confident | 98 Ų | 98 | 61.9 Ų | 61.9 | 46% | 0.458 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -18.3 | -175.7 | -160.8 | 164.4 | -154.3 | 0 | 0 | 115.9 | R145 | E116-R145 HydrophobicContact CB-CB 4.15Å; E116-R145 HydrophobicContact CG-CB 4.37Å; E116-R145 PolarHBondContact N-O 3.42Å; E116-R145 WeakPolarHBondContact OE1-CD 3.45Å; E116-R145 IonicContact OE1-CZ 2.8Å; E116-R145 IonicContact OE1-NE 2.84Å; E116-R145 IonicContact OE1-NH1 2.91Å; E116-R145 PolarHBondContact OE1-NH1 3.5Å; E116-R145 WeakPolarHBondContact OE2-CB 3.38Å; E116-R145 WeakPolarHBondContact OE2-CG 3.18Å; E116-R145 PolarHBondContact OE2-N 2.82Å; E116-R145 VanDerWaalsContact OE2-N 3.12Å |
| 117 | K | 70.5 | Confident | 83.5 | Confident | 184 Ų | 184 | 60.9 Ų | 60.9 | 80% | 0.8 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | 5.4 | 177.6 | -59.7 | -174.6 | -177.8 | -178.5 | 0 | 114.4 | G115 | G115-K117 PolarHBondContact O-N 2.83Š|
| 118 | Q | 72.9 | Confident | 83.3 | Confident | 115 Ų | 115 | 63 Ų | 63 | 54% | 0.537 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -106.4 | 130.4 | -177.8 | -65.7 | 171.6 | -14.2 | 0 | 0 | 110.3 | L114 G115 | L114-Q118 HydrophobicContact CD1-CB 3.62Å; L114-Q118 HydrophobicContact CG-CB 4.26Å; G115-Q118 WeakPolarHBondContact O-CB 3.38Å; G115-Q118 PolarHBondContact O-N 3.46Å |
| 119 | C | 74.6 | Confident | 83.1 | Confident | 119 Ų | 119 | 70.9 Ų | 70.9 | 80% | 0.804 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 135.5 | 171.5 | -62.9 | 0 | 0 | 0 | 0 | 110.2 | ||
| 120 | P | 75.1 | Confident | 83.2 | Confident | 77 Ų | 77 | 67.3 Ų | 67.3 | 50% | 0.5 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 145.9 | 173.9 | 26.9 | -33.7 | 0 | 0 | 0 | 111 | L114 A124 V126 | L114-P120 HydrophobicContact CD2-CB 4.02Å; P120-A124 HydrophobicContact CB-CB 4.32Å; P120-V126 HydrophobicContact CB-CG2 4.15Å |
| 121 | K | 78 | Confident | 83.1 | Confident | 115 Ų | 115 | 69.4 Ų | 69.4 | 50% | 0.5 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 151.8 | 173.7 | -60 | 167.5 | -170.5 | 167.4 | 0 | 109.6 | D112 N123 A124 L151 | D112-K121 IonicContact OD2-NZ 3.36Å; D112-K121 PolarHBondContact OD2-NZ 3.11Å; K121-N123 PolarHBondContact O-N 3.39Å; K121-A124 HydrophobicContact CB-CB 4.21Å; K121-A124 WeakPolarHBondContact O-CB 3.29Å; K121-A124 PolarHBondContact O-N 3.24Å; K121-L151 HydrophobicContact CB-CD1 4.14Å |
| 122 | T | 75.4 | Confident | 82.6 | Confident | 126 Ų | 126 | 71.6 Ų | 71.6 | 77% | 0.773 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 130.9 | 174.9 | -43 | 0 | 0 | 0 | 0 | 110.5 | A124 L151 | T122-A124 VanDerWaalsContact C-N 3.28Å; T122-A124 PolarHBondContact O-N 3.37Å; T122-L151 WeakPolarHBondContact O-CD1 3.31Å |
| 123 | N | 78.4 | Confident | 82.4 | Confident | 99 Ų | 99 | 71.2 Ų | 71.2 | 53% | 0.529 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | 20.1 | -173 | -54.5 | -4.2 | 0 | 0 | 0 | 115.6 | K121 R152 | K121-N123 PolarHBondContact O-N 3.39Å; N123-R152 PolarHBondContact O-N 3.41Å |
| 124 | A | 87.5 | Confident | 82.2 | Confident | 27 Ų | 27 | 74.4 Ų | 74.4 | 22% | 0.223 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 132.7 | 168 | 0 | 0 | 0 | 0 | 0 | 111.9 | P120 K121 T122 Y150 L151 | P120-A124 HydrophobicContact CB-CB 4.32Å; K121-A124 HydrophobicContact CB-CB 4.21Å; K121-A124 WeakPolarHBondContact O-CB 3.29Å; K121-A124 PolarHBondContact O-N 3.24Å; T122-A124 VanDerWaalsContact C-N 3.28Å; T122-A124 PolarHBondContact O-N 3.37Å; A124-Y150 CarbonylContact C-O 3.56Å; A124-Y150 VanDerWaalsContact CA-O 3.31Å; A124-Y150 WeakPolarHBondContact CA-O 3.47Å; A124-L151 HydrophobicContact CB-CD1 4.28Å |
| 125 | V | 91.3 | Very high | 82.3 | Confident | 52 Ų | 52 | 75.2 Ų | 75.2 | 32% | 0.315 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 135 | 169 | -176.3 | 0 | 0 | 0 | 0 | 108.3 | S149 Y150 | V125-S149 CarbonylContact O-C 3.56Å; V125-S149 WeakPolarHBondContact O-CA 3.22Å; V125-S149 WeakPolarHBondContact O-CB 3.34Å; V125-Y150 HydrophobicContact CB-CD2 4.09Å; V125-Y150 HydrophobicContact CB-CE1 4.15Å; V125-Y150 HydrophobicContact CB-CE2 3.61Å; V125-Y150 HydrophobicContact CG1-CE1 4.2Å; V125-Y150 HydrophobicContact CG1-CE2 4.31Å; V125-Y150 HydrophobicContact CG2-CD2 4.3Å; V125-Y150 HydrophobicContact CG2-CE2 3.58Å; V125-Y150 PolarHBondContact N-O 3.37Å; V125-Y150 PolarHBondContact O-N 3.34Å |
| 126 | V | 91.2 | Very high | 82.5 | Confident | 45 Ų | 45 | 74.6 Ų | 74.6 | 27% | 0.273 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 123 | 178.5 | -175.6 | 0 | 0 | 0 | 0 | 109.4 | L114 P120 S128 F147 | L114-V126 HydrophobicContact CD2-CG1 4.38Å; L114-V126 HydrophobicContact CD2-CG2 3.65Å; P120-V126 HydrophobicContact CB-CG2 4.15Å; V126-S128 VanDerWaalsContact C-N 3.3Å; V126-S128 PolarHBondContact O-N 2.93Å; V126-F147 HydrophobicContact CG1-CB 3.67Å; V126-F147 HydrophobicContact CG1-CG 4.15Å |
| 127 | L | 91.7 | Very high | 83.2 | Confident | 15 Ų | 15 | 70.2 Ų | 70.2 | 8% | 0.079 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 74.4 | 177.8 | -62.1 | 176.6 | 0 | 0 | 0 | 109.8 | I57 I59 R129 L148 Y150 | I57-L127 HydrophobicContact CB-CD1 4.12Å; I57-L127 HydrophobicContact CG2-CD1 3.79Å; I57-L127 WeakPolarHBondContact O-CD1 3.36Å; I57-L127 WeakPolarHBondContact O-CD2 3.45Å; I59-L127 HydrophobicContact CD1-CB 4.35Å; L127-R129 VanDerWaalsContact C-N 3.29Å; L127-L148 HydrophobicContact CB-CB 4.45Å; L127-L148 WeakPolarHBondContact CB-O 3.38Å; L127-L148 HydrophobicContact CD1-CB 4.39Å; L127-L148 HydrophobicContact CD1-CD2 4.11Å; L127-L148 HydrophobicContact CD1-CG 4.27Å; L127-L148 PolarHBondContact N-O 3.31Å; L127-Y150 HydrophobicContact CD1-CD1 4.35Å; L127-Y150 HydrophobicContact CD1-CE1 4.35Å; L127-Y150 HydrophobicContact CD2-CE1 4.2Å; L127-Y150 HydrophobicContact CG-CE1 4.34Å |
| 128 | S | 87.8 | Confident | 83.7 | Confident | 55 Ų | 55 | 61.6 Ų | 61.6 | 39% | 0.385 | 35% | 0.354 | S | S | . | . | trans | -77.7 | -11.6 | 176.8 | 58.6 | 0 | 0 | 0 | 0 | 114 | V126 A136 | V126-S128 VanDerWaalsContact C-N 3.3Å; V126-S128 PolarHBondContact O-N 2.93Å; S128-A136 PolarHBondContact O-N 2.93Å | ||
| 129 | R | 88.9 | Confident | 83.6 | Confident | 166 Ų | 166 | 57.1 Ų | 57.1 | 63% | 0.626 | 34% | 0.335 | S | S | * | . | B | Isolated β-bridge | trans | -137.5 | 152.6 | -177.8 | -65 | -179.2 | -175.6 | -114.1 | 9.2 | 114.2 | L127 G133 R134 | L127-R129 VanDerWaalsContact C-N 3.29Å; R129-G133 WeakPolarHBondContact CD-O 3.47Å; R129-G133 PolarHBondContact NH1-O 2.93Å; R129-R134 CarbonylContact C-O 3.51Å; R129-R134 WeakPolarHBondContact CA-O 3.18Å; R129-R134 VanDerWaalsContact CB-O 3.28Å; R129-R134 WeakPolarHBondContact CB-O 3.47Å |
| 130 | T | 90.6 | Very high | 83.1 | Confident | 9 Ų | 9 | 53.8 Ų | 53.8 | 6% | 0.055 | 31% | 0.313 | C | S | . | . | trans | -71.8 | 170.3 | 166.4 | 77 | 0 | 0 | 0 | 0 | 110.7 | I59 E66 L89 G132 G133 R134 A136 | I59-T130 HydrophobicContact CG2-CG2 4.26Å; I59-T130 CarbonylContact O-C 3.5Å; I59-T130 VanDerWaalsContact O-CA 3.25Å; I59-T130 WeakPolarHBondContact O-CA 3.3Å; I59-T130 WeakPolarHBondContact O-CB 3.32Å; E66-T130 PolarHBondContact OE1-OG1 3.19Å; E66-T130 VanDerWaalsContact OE2-CB 3.3Å; E66-T130 WeakPolarHBondContact OE2-CB 3.22Å; E66-T130 PolarHBondContact OE2-OG1 3.05Å; L89-T130 HydrophobicContact CD1-CG2 4.06Å; T130-G132 PolarHBondContact O-N 2.7Å; T130-G132 PolarHBondContact OG1-N 3.21Å; T130-G133 PolarHBondContact O-N 2.9Å; T130-G133 PolarHBondContact OG1-N 2.73Å; T130-R134 HydrophobicContact CG2-CB 4.03Å; T130-R134 PolarHBondContact N-O 3.18Å; T130-R134 PolarHBondContact OG1-N 2.94Å; T130-A136 HydrophobicContact CG2-CB 4.34Å | ||
| 131 | I | 87.4 | Confident | 82.1 | Confident | 70 Ų | 70 | 53.5 Ų | 53.5 | 36% | 0.359 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -30.8 | 174.8 | -159 | 103.1 | 0 | 0 | 0 | 112.1 | K58 I59 V60 E66 P69 G133 | K58-I131 HydrophobicContact CB-CD1 4.43Å; K58-I131 HydrophobicContact CD-CD1 3.95Å; K58-I131 HydrophobicContact CG-CD1 3.93Å; I59-I131 PolarHBondContact O-N 3.43Å; V60-I131 HydrophobicContact CB-CG2 4.49Å; V60-I131 HydrophobicContact CG1-CG2 4.34Å; V60-I131 HydrophobicContact CG2-CG2 4.01Å; E66-I131 HydrophobicContact CB-CG2 3.91Å; E66-I131 HydrophobicContact CG-CG2 4.39Å; E66-I131 WeakPolarHBondContact OE2-CG2 3.23Å; P69-I131 HydrophobicContact CG-CD1 3.53Å; P69-I131 HydrophobicContact CG-CG1 4.17Å; I131-G133 PolarHBondContact O-N 3.49Å |
| 132 | G | 83.6 | Confident | 80.9 | Confident | 49 Ų | 49 | 55.1 Ų | 55.1 | 51% | 0.505 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 5.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | E66 T130 R134 | E66-G132 WeakPolarHBondContact OE1-CA 3.47Å; E66-G132 PolarHBondContact OE1-N 2.98Å; E66-G132 PolarHBondContact OE2-N 3.44Å; T130-G132 PolarHBondContact O-N 2.7Å; T130-G132 PolarHBondContact OG1-N 3.21Å; G132-R134 VanDerWaalsContact C-N 3.32Å; G132-R134 PolarHBondContact O-N 2.81Å |
| 133 | G | 84.1 | Confident | 80 | Confident | 30 Ų | 30 | 54.4 Ų | 54.4 | 31% | 0.309 | 32% | 0.322 | S | S | . | . | S | Bend | trans | 80.9 | -0.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | R129 T130 I131 | R129-G133 WeakPolarHBondContact CD-O 3.47Å; R129-G133 PolarHBondContact NH1-O 2.93Å; T130-G133 PolarHBondContact O-N 2.9Å; T130-G133 PolarHBondContact OG1-N 2.73Å; I131-G133 PolarHBondContact O-N 3.49Å |
| 134 | R | 83.5 | Confident | 79.3 | Confident | 77 Ų | 77 | 53.1 Ų | 53.1 | 29% | 0.291 | 32% | 0.315 | S | S | . | . | trans | -62.5 | 158.6 | 169.6 | -80.6 | 170.5 | -98 | -108.5 | -1.7 | 111.1 | E64 E66 E93 R129 T130 G132 | E64-R134 VanDerWaalsContact CB-NH2 3.27Å; E64-R134 VanDerWaalsContact CD-NH1 3.33Å; E64-R134 VanDerWaalsContact CG-NH1 3.26Å; E64-R134 IonicContact OE2-CZ 3.88Å; E64-R134 IonicContact OE2-NH1 3.7Å; E64-R134 PolarHBondContact OE2-NH1 2.94Å; E64-R134 IonicContact OE2-NH2 3.91Å; E66-R134 IonicContact OE1-CZ 3.23Å; E66-R134 VanDerWaalsContact OE1-CZ 3.26Å; E66-R134 IonicContact OE1-NE 2.6Å; E66-R134 PolarHBondContact OE1-NE 3.04Å; E66-R134 IonicContact OE1-NH2 2.79Å; E66-R134 PolarHBondContact OE1-NH2 3.36Å; E93-R134 WeakPolarHBondContact OE1-CD 3.37Å; E93-R134 WeakPolarHBondContact OE2-CD 3.33Å; E93-R134 IonicContact OE2-NE 3.31Å; R129-R134 CarbonylContact C-O 3.51Å; R129-R134 WeakPolarHBondContact CA-O 3.18Å; R129-R134 VanDerWaalsContact CB-O 3.28Å; R129-R134 WeakPolarHBondContact CB-O 3.47Å; T130-R134 HydrophobicContact CG2-CB 4.03Å; T130-R134 PolarHBondContact N-O 3.18Å; T130-R134 PolarHBondContact OG1-N 2.94Å; G132-R134 VanDerWaalsContact C-N 3.32Å; G132-R134 PolarHBondContact O-N 2.81Å | ||
| 135 | A | 84.4 | Confident | 78.7 | Confident | 39 Ų | 39 | 56.9 Ų | 56.9 | 32% | 0.322 | 32% | 0.323 | S | S | . | . | B | Isolated β-bridge | trans | -69.5 | 130.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | F91 | F91-A135 HydrophobicContact CE2-CB 3.91Å; F91-A135 HydrophobicContact CZ-CB 4.5Å |
| 136 | A | 85.7 | Confident | 78.4 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | trans | -99 | 34.1 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | I59 S128 T130 L138 | I59-A136 HydrophobicContact CD1-CB 3.92Å; I59-A136 HydrophobicContact CG2-CB 4.45Å; S128-A136 PolarHBondContact O-N 2.93Å; T130-A136 HydrophobicContact CG2-CB 4.34Å; A136-L138 PolarHBondContact O-N 2.9Å | ||
| 137 | D | 85.2 | Confident | 78.2 | Confident | 5 Ų | 5 | 54.1 Ų | 54.1 | 3% | 0.027 | 30% | 0.304 | C | S | . | . | trans | -60.1 | 123.3 | -179 | -57.2 | 5.5 | 0 | 0 | 0 | 111.8 | L89 N90 R145 F147 | L89-D137 CarbonylContact C-O 3.52Å; L89-D137 WeakPolarHBondContact CA-O 3.46Å; N90-D137 HydrophobicContact CB-CB 3.9Å; N90-D137 PolarHBondContact N-O 3.34Å; N90-D137 VanDerWaalsContact ND2-CB 3.32Å; N90-D137 WeakPolarHBondContact ND2-CB 3.48Å; D137-R145 IonicContact OD1-NE 2.75Å; D137-R145 VanDerWaalsContact OD2-CD 3.24Å; D137-R145 WeakPolarHBondContact OD2-CD 3.25Å; D137-R145 IonicContact OD2-CZ 2.74Å; D137-R145 IonicContact OD2-NE 3.31Å; D137-R145 PolarHBondContact OD2-NE 2.88Å; D137-F147 VanDerWaalsContact OD1-CE1 3.22Å; D137-F147 WeakPolarHBondContact OD1-CE1 3.28Å | ||
| 138 | L | 81.5 | Confident | 78.2 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 133.8 | 175.3 | -61.3 | 169.4 | 0 | 0 | 0 | 111.1 | I87 L89 A136 S140 L146 L148 I189 | I87-L138 HydrophobicContact CD1-CD2 3.99Å; L89-L138 HydrophobicContact CD2-CD2 4.36Å; A136-L138 PolarHBondContact O-N 2.9Å; L138-S140 PolarHBondContact O-N 3.3Å; L138-L146 HydrophobicContact CB-CB 4.2Å; L138-L146 HydrophobicContact CB-CD2 4.42Å; L138-L146 WeakPolarHBondContact CB-O 3.34Å; L138-L146 PolarHBondContact N-O 3.04Å; L138-L148 HydrophobicContact CD1-CB 4.25Å; L138-I189 HydrophobicContact CD1-CG2 4Å; L138-I189 HydrophobicContact CD2-CG2 4.12Å |
| 139 | P | 70.4 | Confident | 78.4 | Confident | 21 Ų | 21 | 51.4 Ų | 51.4 | 14% | 0.136 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 99.8 | 178.4 | 30.6 | -35 | 0 | 0 | 0 | 112.1 | L88 N90 C190 | L88-P139 WeakPolarHBondContact O-CD 3.31Å; L88-P139 WeakPolarHBondContact O-CG 3.42Å; N90-P139 WeakPolarHBondContact OD1-CA 3.42Å; N90-P139 VanDerWaalsContact OD1-CB 3.29Å; N90-P139 WeakPolarHBondContact OD1-CB 3.3Å; P139-C190 HydrophobicContact CG-CB 3.74Å; P139-C190 PolarHBondContact O-SG 3.18Å; P139-C190 VanDerWaalsContact O-SG 3.38Å |
| 140 | S | 62.6 | Low | 78.6 | Confident | 50 Ų | 50 | 43.9 Ų | 43.9 | 35% | 0.35 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | -41.6 | 173.5 | 63.4 | 0 | 0 | 0 | 0 | 113.2 | L138 | L138-S140 PolarHBondContact O-N 3.3Å |
| 141 | S | 55.2 | Low | 78.7 | Confident | 71 Ų | 71 | 45.6 Ų | 45.6 | 50% | 0.497 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 169.2 | 176.2 | -170.7 | 0 | 0 | 0 | 0 | 110.7 | T143 | S141-T143 PolarHBondContact O-N 3.02Å; S141-T143 VanDerWaalsContact O-N 3.13Å |
| 142 | L | 53.1 | Low | 78.9 | Confident | 148 Ų | 148 | 44.5 Ų | 44.5 | 78% | 0.775 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -6.4 | -174.9 | -76.5 | 166.8 | 0 | 0 | 0 | 115.2 | ||
| 143 | T | 56.5 | Low | 79 | Confident | 112 Ų | 112 | 42.5 Ų | 42.5 | 69% | 0.687 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -134.3 | -6.6 | -164 | 54.3 | 0 | 0 | 0 | 0 | 116.7 | S141 | S141-T143 PolarHBondContact O-N 3.02Å; S141-T143 VanDerWaalsContact O-N 3.13Å |
| 144 | N | 63.3 | Low | 79.2 | Confident | 72 Ų | 72 | 43.6 Ų | 43.6 | 39% | 0.385 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 134.3 | 178.6 | -71.3 | -32.1 | 0 | 0 | 0 | 109.3 | ||
| 145 | R | 75.4 | Confident | 79.1 | Confident | 105 Ų | 105 | 44.6 Ų | 44.6 | 40% | 0.396 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 143.7 | 163.7 | -65 | -175.7 | 170.6 | 105.9 | -3.8 | 111.1 | E116 D137 F147 | E116-R145 HydrophobicContact CB-CB 4.15Å; E116-R145 HydrophobicContact CG-CB 4.37Å; E116-R145 PolarHBondContact N-O 3.42Å; E116-R145 WeakPolarHBondContact OE1-CD 3.45Å; E116-R145 IonicContact OE1-CZ 2.8Å; E116-R145 IonicContact OE1-NE 2.84Å; E116-R145 IonicContact OE1-NH1 2.91Å; E116-R145 PolarHBondContact OE1-NH1 3.5Å; E116-R145 WeakPolarHBondContact OE2-CB 3.38Å; E116-R145 WeakPolarHBondContact OE2-CG 3.18Å; E116-R145 PolarHBondContact OE2-N 2.82Å; E116-R145 VanDerWaalsContact OE2-N 3.12Å; D137-R145 IonicContact OD1-NE 2.75Å; D137-R145 VanDerWaalsContact OD2-CD 3.24Å; D137-R145 WeakPolarHBondContact OD2-CD 3.25Å; D137-R145 IonicContact OD2-CZ 2.74Å; D137-R145 IonicContact OD2-NE 3.31Å; D137-R145 PolarHBondContact OD2-NE 2.88Å; R145-F147 HydrophobicContact CB-CE2 3.86Å; R145-F147 HydrophobicContact CB-CZ 4.06Å |
| 146 | L | 83.5 | Confident | 79.2 | Confident | 9 Ų | 9 | 47 Ų | 47 | 5% | 0.047 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 138.7 | 169.4 | -167.4 | 78.5 | 0 | 0 | 0 | 109 | T113 L138 E187 | T113-L146 HydrophobicContact CG2-CD2 3.99Å; T113-L146 HydrophobicContact CG2-CG 4.41Å; L138-L146 HydrophobicContact CB-CB 4.2Å; L138-L146 HydrophobicContact CB-CD2 4.42Å; L138-L146 WeakPolarHBondContact CB-O 3.34Å; L138-L146 PolarHBondContact N-O 3.04Å; L146-E187 HydrophobicContact CD1-CG 4.33Å; L146-E187 HydrophobicContact CD2-CB 3.8Å; L146-E187 HydrophobicContact CD2-CG 4.24Å |
| 147 | F | 88.7 | Confident | 79.1 | Confident | 30 Ų | 30 | 47.2 Ų | 47.2 | 13% | 0.132 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 147.5 | 177.9 | -62.8 | -74.6 | 0 | 0 | 0 | 110.9 | T113 L114 V126 D137 R145 | T113-F147 CarbonylContact C-O 3.52Å; T113-F147 WeakPolarHBondContact CA-O 3.03Å; L114-F147 PolarHBondContact N-O 3.08Å; L114-F147 PolarHBondContact O-N 2.95Å; V126-F147 HydrophobicContact CG1-CB 3.67Å; V126-F147 HydrophobicContact CG1-CG 4.15Å; D137-F147 VanDerWaalsContact OD1-CE1 3.22Å; D137-F147 WeakPolarHBondContact OD1-CE1 3.28Å; R145-F147 HydrophobicContact CB-CE2 3.86Å; R145-F147 HydrophobicContact CB-CZ 4.06Å |
| 148 | L | 90.8 | Very high | 79 | Confident | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 137 | 167.5 | -172.6 | 58.1 | 0 | 0 | 0 | 109.2 | I57 I59 I97 I111 L127 L138 I200 | I57-L148 HydrophobicContact CG2-CD2 4.22Å; I59-L148 HydrophobicContact CD1-CB 4.41Å; I97-L148 HydrophobicContact CD1-CD2 4.23Å; I111-L148 HydrophobicContact CG2-CD1 3.76Å; L127-L148 HydrophobicContact CB-CB 4.45Å; L127-L148 WeakPolarHBondContact CB-O 3.38Å; L127-L148 HydrophobicContact CD1-CB 4.39Å; L127-L148 HydrophobicContact CD1-CD2 4.11Å; L127-L148 HydrophobicContact CD1-CG 4.27Å; L127-L148 PolarHBondContact N-O 3.31Å; L138-L148 HydrophobicContact CD1-CB 4.25Å; L148-I200 HydrophobicContact CD1-CD1 3.67Å; L148-I200 HydrophobicContact CD2-CD1 4.07Å |
| 149 | S | 91.9 | Very high | 79 | Confident | 9 Ų | 9 | 47.4 Ų | 47.4 | 6% | 0.063 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 155.5 | 178.4 | 69.6 | 0 | 0 | 0 | 0 | 111.2 | D112 V125 | D112-S149 PolarHBondContact N-O 3.27Å; D112-S149 CarbonylContact O-C 3.42Å; D112-S149 WeakPolarHBondContact O-CA 3.42Å; D112-S149 PolarHBondContact O-N 3.36Å; D112-S149 PolarHBondContact O-OG 2.81Å; V125-S149 CarbonylContact O-C 3.56Å; V125-S149 WeakPolarHBondContact O-CA 3.22Å; V125-S149 WeakPolarHBondContact O-CB 3.34Å |
| 150 | Y | 94.4 | Very high | 79.4 | Confident | 8 Ų | 8 | 48.5 Ų | 48.5 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 144.6 | 176.5 | 66.5 | -109.9 | 0 | 0 | 0 | 111.6 | D56 I57 I108 D110 A124 V125 L127 R152 | D56-Y150 PolarHBondContact OD1-OH 3.37Å; I57-Y150 HydrophobicContact CB-CD1 4.14Å; I57-Y150 HydrophobicContact CB-CE1 4.14Å; I57-Y150 HydrophobicContact CD1-CD1 4.32Å; I108-Y150 HydrophobicContact CD1-CD1 4.04Å; I108-Y150 HydrophobicContact CD1-CD2 3.69Å; I108-Y150 HydrophobicContact CD1-CE1 4.27Å; I108-Y150 HydrophobicContact CD1-CE2 3.98Å; I108-Y150 HydrophobicContact CD1-CG 3.75Å; I108-Y150 HydrophobicContact CG1-CD2 3.71Å; I108-Y150 HydrophobicContact CG1-CE2 4.02Å; I108-Y150 HydrophobicContact CG1-CG 4.22Å; I108-Y150 HydrophobicContact CG2-CD2 4.23Å; I108-Y150 HydrophobicContact CG2-CG 4.3Å; D110-Y150 CarbonylContact O-C 3.55Å; D110-Y150 VanDerWaalsContact O-CA 3.24Å; D110-Y150 WeakPolarHBondContact O-CA 3.39Å; D110-Y150 WeakPolarHBondContact O-CB 3.43Å; A124-Y150 CarbonylContact C-O 3.56Å; A124-Y150 VanDerWaalsContact CA-O 3.31Å; A124-Y150 WeakPolarHBondContact CA-O 3.47Å; V125-Y150 HydrophobicContact CB-CD2 4.09Å; V125-Y150 HydrophobicContact CB-CE1 4.15Å; V125-Y150 HydrophobicContact CB-CE2 3.61Å; V125-Y150 HydrophobicContact CG1-CE1 4.2Å; V125-Y150 HydrophobicContact CG1-CE2 4.31Å; V125-Y150 HydrophobicContact CG2-CD2 4.3Å; V125-Y150 HydrophobicContact CG2-CE2 3.58Å; V125-Y150 PolarHBondContact N-O 3.37Å; V125-Y150 PolarHBondContact O-N 3.34Å; L127-Y150 HydrophobicContact CD1-CD1 4.35Å; L127-Y150 HydrophobicContact CD1-CE1 4.35Å; L127-Y150 HydrophobicContact CD2-CE1 4.2Å; L127-Y150 HydrophobicContact CG-CE1 4.34Å; Y150-R152 PolarHBondContact OH-NH2 3.15Å |
| 151 | L | 92.3 | Very high | 80.4 | Confident | 46 Ų | 46 | 47.5 Ų | 47.5 | 24% | 0.241 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 127.2 | 177.8 | -163.9 | 79.3 | 0 | 0 | 0 | 109.5 | I108 R109 D110 K121 T122 A124 | I108-L151 CarbonylContact C-O 3.56Å; I108-L151 WeakPolarHBondContact CA-O 3.16Å; R109-L151 HydrophobicContact CB-CB 4.38Å; R109-L151 HydrophobicContact CB-CD2 4.11Å; R109-L151 PolarHBondContact N-O 3.16Å; D110-L151 HydrophobicContact CB-CB 3.95Å; D110-L151 PolarHBondContact O-N 3.44Å; K121-L151 HydrophobicContact CB-CD1 4.14Å; T122-L151 WeakPolarHBondContact O-CD1 3.31Å; A124-L151 HydrophobicContact CB-CD1 4.28Å |
| 152 | R | 90.1 | Very high | 81.8 | Confident | 46 Ų | 46 | 46.5 Ų | 46.5 | 17% | 0.174 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 143.3 | 179.6 | -164.8 | 175.4 | -78.6 | -87 | 6.3 | 111.7 | V55 D56 P106 N123 Y150 | V55-R152 VanDerWaalsContact O-CZ 3.23Å; V55-R152 PolarHBondContact O-NH1 3.09Å; V55-R152 PolarHBondContact O-NH2 2.94Å; D56-R152 IonicContact OD1-NH2 2.7Å; P106-R152 HydrophobicContact CB-CG 4.18Å; P106-R152 WeakPolarHBondContact O-CG 3.04Å; P106-R152 PolarHBondContact O-NH1 3.48Å; N123-R152 PolarHBondContact O-N 3.41Å; Y150-R152 PolarHBondContact OH-NH2 3.15Å |
| 153 | G | 87.2 | Confident | 83.5 | Confident | 7 Ų | 7 | 39.5 Ų | 39.5 | 7% | 0.072 | 21% | 0.209 | C | C | . | . | trans | -72.5 | 175.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | P106 F107 | P106-G153 VanDerWaalsContact CB-O 3.23Å; P106-G153 WeakPolarHBondContact CB-O 3.21Å; F107-G153 PolarHBondContact O-N 3.31Å | ||
| 154 | T | 86.9 | Confident | 85.1 | Confident | 53 Ų | 53 | 34.1 Ų | 34.1 | 33% | 0.325 | 18% | 0.176 | S | C | . | . | trans | -101.2 | 156.2 | 170.7 | 56.4 | 0 | 0 | 0 | 0 | 110.1 | E156 S157 | T154-E156 PolarHBondContact O-N 2.85Å; T154-S157 PolarHBondContact N-OG 3.12Å; T154-S157 VanDerWaalsContact O-CB 3.26Å; T154-S157 WeakPolarHBondContact O-CB 3.07Å; T154-S157 PolarHBondContact O-N 3.34Å; T154-S157 VanDerWaalsContact O-N 3.13Å; T154-S157 PolarHBondContact O-OG 3.36Å; T154-S157 VanDerWaalsContact O-OG 3.04Å; T154-S157 PolarHBondContact OG1-N 2.83Å; T154-S157 PolarHBondContact OG1-OG 2.77Å | ||
| 155 | V | 83.2 | Confident | 86.3 | Confident | 98 Ų | 98 | 31 Ų | 31 | 59% | 0.594 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -34.5 | 170.8 | -178.4 | 0 | 0 | 0 | 0 | 110.9 | P106 S157 N307 | P106-V155 HydrophobicContact CG-CG2 3.86Å; V155-S157 PolarHBondContact O-N 2.85Å; V155-N307 HydrophobicContact CG1-CB 4.36Å |
| 156 | E | 85.3 | Confident | 86.9 | Confident | 91 Ų | 91 | 27.7 Ų | 27.7 | 43% | 0.425 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -9.5 | 178.6 | -53.5 | -176.3 | 104.8 | 0 | 0 | 114.5 | T154 S158 N307 D309 R381 | T154-E156 PolarHBondContact O-N 2.85Å; E156-S158 PolarHBondContact O-N 2.86Å; E156-N307 WeakPolarHBondContact CA-O 3.35Å; E156-D309 PolarHBondContact O-N 3.1Å; E156-R381 IonicContact OE1-CZ 2.73Å; E156-R381 VanDerWaalsContact OE1-CZ 3.31Å; E156-R381 IonicContact OE1-NH1 3.85Å; E156-R381 PolarHBondContact OE1-NH1 2.98Å; E156-R381 IonicContact OE1-NH2 3.5Å; E156-R381 PolarHBondContact OE1-NH2 2.88Å |
| 157 | S | 84.8 | Confident | 87.4 | Confident | 4 Ų | 4 | 27.6 Ų | 27.6 | 3% | 0.028 | 15% | 0.15 | C | C | . | . | trans | -63.6 | 124.5 | -173.4 | -67.7 | 0 | 0 | 0 | 0 | 112.3 | R109 T154 V155 Q308 | R109-S157 PolarHBondContact NH2-OG 3.02Å; T154-S157 PolarHBondContact N-OG 3.12Å; T154-S157 VanDerWaalsContact O-CB 3.26Å; T154-S157 WeakPolarHBondContact O-CB 3.07Å; T154-S157 PolarHBondContact O-N 3.34Å; T154-S157 VanDerWaalsContact O-N 3.13Å; T154-S157 PolarHBondContact O-OG 3.36Å; T154-S157 VanDerWaalsContact O-OG 3.04Å; T154-S157 PolarHBondContact OG1-N 2.83Å; T154-S157 PolarHBondContact OG1-OG 2.77Å; V155-S157 PolarHBondContact O-N 2.85Å; S157-Q308 PolarHBondContact O-NE2 2.95Å | ||
| 158 | S | 82.6 | Confident | 87.6 | Confident | 8 Ų | 8 | 26.8 Ų | 26.8 | 6% | 0.056 | 15% | 0.147 | C | C | . | . | trans | -56.7 | 154.4 | 173.8 | -170.7 | 0 | 0 | 0 | 0 | 113.2 | E156 D160 C161 D309 P310 P311 | E156-S158 PolarHBondContact O-N 2.86Å; S158-D160 VanDerWaalsContact CB-OD1 3.27Å; S158-D160 WeakPolarHBondContact CB-OD1 3.42Å; S158-D160 PolarHBondContact O-N 2.78Å; S158-D160 PolarHBondContact OG-OD1 2.82Å; S158-C161 VanDerWaalsContact O-CB 3.26Å; S158-C161 WeakPolarHBondContact O-CB 3.36Å; S158-C161 PolarHBondContact O-N 3.14Å; S158-C161 VanDerWaalsContact O-N 3.09Å; S158-C161 PolarHBondContact O-SG 3.42Å; S158-D309 WeakPolarHBondContact CA-O 3.43Å; S158-D309 WeakPolarHBondContact CB-O 3.08Å; S158-D309 PolarHBondContact OG-O 3.03Å; S158-P310 PolarHBondContact OG-O 3.49Å; S158-P311 WeakPolarHBondContact OG-CA 3.34Å | ||
| 159 | I | 81.9 | Confident | 87.7 | Confident | 4 Ų | 4 | 26.6 Ų | 26.6 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -14.7 | -177.6 | 56.9 | 168.4 | 0 | 0 | 0 | 114.2 | V207 K208 E302 W304 P311 | I159-V207 PolarHBondContact O-N 3.39Å; I159-K208 HydrophobicContact CB-CG 4.32Å; I159-K208 WeakPolarHBondContact O-CG 3.3Å; I159-K208 PolarHBondContact O-N 2.87Å; I159-E302 HydrophobicContact CD1-CB 4.34Å; I159-E302 WeakPolarHBondContact CD1-OE2 3.38Å; I159-W304 HydrophobicContact CD1-CB 4.4Å; I159-W304 HydrophobicContact CD1-CE3 3.89Å; I159-W304 HydrophobicContact CG2-CB 3.72Å; I159-P311 HydrophobicContact CD1-CG 4.13Å; I159-P311 HydrophobicContact CG1-CG 4.02Å |
| 160 | D | 78.6 | Confident | 87.7 | Confident | 44 Ų | 44 | 26.2 Ų | 26.2 | 24% | 0.235 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -1.4 | 173.9 | 66.2 | 1.4 | 0 | 0 | 0 | 113.9 | S158 L206 E312 | S158-D160 VanDerWaalsContact CB-OD1 3.27Å; S158-D160 WeakPolarHBondContact CB-OD1 3.42Å; S158-D160 PolarHBondContact O-N 2.78Å; S158-D160 PolarHBondContact OG-OD1 2.82Å; D160-L206 WeakPolarHBondContact O-CD2 3.43Å; D160-E312 PolarHBondContact OD2-N 3.44Å |
| 161 | C | 83.1 | Confident | 87.5 | Confident | 29 Ų | 29 | 26 Ų | 26 | 20% | 0.196 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -62.1 | 145.7 | 169.9 | -75.6 | 0 | 0 | 0 | 0 | 111.2 | F107 S158 V207 | F107-C161 HydrophobicContact CE2-CB 4.15Å; F107-C161 HydrophobicContact CZ-CB 3.65Å; S158-C161 VanDerWaalsContact O-CB 3.26Å; S158-C161 WeakPolarHBondContact O-CB 3.36Å; S158-C161 PolarHBondContact O-N 3.14Å; S158-C161 VanDerWaalsContact O-N 3.09Å; S158-C161 PolarHBondContact O-SG 3.42Å; C161-V207 HydrophobicContact CB-CG2 4.33Å; C161-V207 WeakPolarHBondContact O-CG2 3.37Å; C161-V207 PolarHBondContact O-N 2.89Å |
| 162 | L | 84.2 | Confident | 87.2 | Confident | 50 Ų | 50 | 26.7 Ų | 26.7 | 26% | 0.262 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 121.4 | 172.3 | -67.3 | 174.8 | 0 | 0 | 0 | 111.3 | K204 S205 L206 V513 | L162-K204 HydrophobicContact CB-CD 4.17Å; L162-K204 HydrophobicContact CD1-CD 4.49Å; L162-S205 CarbonylContact C-O 3.57Å; L162-S205 WeakPolarHBondContact CA-O 3.3Å; L162-L206 HydrophobicContact CD2-CD2 4.11Å; L162-V513 HydrophobicContact CD2-CB 4.12Å; L162-V513 HydrophobicContact CD2-CG1 4.18Å; L162-V513 HydrophobicContact CD2-CG2 3.85Å |
| 163 | A | 88.2 | Confident | 86.9 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 157.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | P53 F107 I108 T165 K204 S205 V207 | P53-A163 HydrophobicContact CB-CB 3.79Å; F107-A163 HydrophobicContact CB-CB 3.93Å; F107-A163 HydrophobicContact CD2-CB 3.42Å; F107-A163 VanDerWaalsContact CD2-CB 3.42Å; F107-A163 HydrophobicContact CE2-CB 4.1Å; F107-A163 HydrophobicContact CG-CB 3.84Å; I108-A163 CarbonylContact O-C 3.11Å; I108-A163 WeakPolarHBondContact O-CA 3.28Å; A163-T165 PolarHBondContact O-N 3.39Å; A163-K204 CarbonylContact O-C 3.5Å; A163-K204 WeakPolarHBondContact O-CA 3.48Å; A163-S205 PolarHBondContact N-O 2.76Å; A163-S205 PolarHBondContact O-N 3.44Å; A163-V207 HydrophobicContact CB-CG2 3.71Å |
| 164 | V | 91.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 121.5 | 166.9 | -179.1 | 0 | 0 | 0 | 0 | 108.9 | I54 I108 I111 Y202 R203 | I54-V164 HydrophobicContact CD1-CG1 4.12Å; I54-V164 PolarHBondContact N-O 2.85Å; I108-V164 HydrophobicContact CB-CB 4.43Å; I108-V164 HydrophobicContact CB-CG2 4.41Å; I108-V164 HydrophobicContact CG2-CB 4.34Å; I108-V164 HydrophobicContact CG2-CG2 3.86Å; I108-V164 PolarHBondContact O-N 3.04Å; I111-V164 HydrophobicContact CD1-CG1 4.03Å; I111-V164 HydrophobicContact CD1-CG2 4.35Å; I111-V164 HydrophobicContact CG1-CG2 4.34Å; V164-Y202 HydrophobicContact CG1-CD2 4.11Å; V164-Y202 HydrophobicContact CG1-CG 4.45Å; V164-Y202 HydrophobicContact CG2-CD2 3.8Å; V164-Y202 HydrophobicContact CG2-CE2 4.16Å; V164-R203 CarbonylContact C-O 3.5Å; V164-R203 WeakPolarHBondContact CA-O 3.42Å |
| 165 | T | 87.9 | Confident | 86.5 | Confident | 6 Ų | 6 | 40.1 Ų | 40.1 | 4% | 0.037 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | -3.2 | -175.2 | 56.7 | 0 | 0 | 0 | 0 | 114.6 | R101 A163 R203 S205 | R101-T165 VanDerWaalsContact CZ-O 3.23Å; R101-T165 PolarHBondContact NH1-O 3.13Å; R101-T165 PolarHBondContact NH2-O 3.25Å; A163-T165 PolarHBondContact O-N 3.39Å; T165-R203 PolarHBondContact N-O 3.2Å; T165-S205 WeakPolarHBondContact OG1-CB 3.23Å |
| 166 | D | 88.8 | Confident | 86.6 | Confident | 35 Ų | 35 | 36.2 Ų | 36.2 | 19% | 0.187 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 162.4 | 158.8 | -163 | 47.8 | 0 | 0 | 0 | 112.9 | R101 Y182 Y202 R203 | R101-D166 IonicContact NH2-OD1 2.76Å; R101-D166 PolarHBondContact NH2-OD1 3.46Å; D166-Y182 HydrophobicContact CB-CE1 4.05Å; D166-Y182 PolarHBondContact OD2-OH 3.26Å; D166-Y182 VanDerWaalsContact OD2-OH 3.1Å; D166-Y202 CarbonylContact O-C 3.59Å; D166-Y202 WeakPolarHBondContact O-CA 3.26Å; D166-Y202 WeakPolarHBondContact O-CB 3.49Å; D166-R203 HydrophobicContact CB-CB 4.21Å; D166-R203 PolarHBondContact O-N 2.94Å |
| 167 | L | 93.6 | Very high | 86.4 | Confident | 8 Ų | 8 | 35 Ų | 35 | 4% | 0.042 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 123.8 | -177.9 | -169.4 | 68.8 | 0 | 0 | 0 | 110.6 | I54 I57 I75 I97 Y99 I111 I200 | I54-L167 HydrophobicContact CD1-CB 3.84Å; I57-L167 HydrophobicContact CD1-CD2 4.29Å; I75-L167 HydrophobicContact CD1-CB 4.08Å; I75-L167 HydrophobicContact CD1-CD2 3.83Å; I75-L167 HydrophobicContact CD1-CG 3.66Å; I75-L167 VanDerWaalsContact CD1-O 3.27Å; I75-L167 WeakPolarHBondContact CD1-O 3.38Å; I97-L167 HydrophobicContact CG2-CD2 3.91Å; Y99-L167 HydrophobicContact CD1-CB 3.99Å; Y99-L167 HydrophobicContact CD1-CD2 3.99Å; Y99-L167 HydrophobicContact CE1-CB 4.14Å; Y99-L167 HydrophobicContact CG-CD2 4.47Å; I111-L167 HydrophobicContact CD1-CD1 3.71Å; L167-I200 HydrophobicContact CD1-CG2 3.53Å; L167-I200 HydrophobicContact CG-CG2 4.49Å |
| 168 | C | 92.5 | Very high | 86.4 | Confident | 13 Ų | 13 | 35 Ų | 35 | 9% | 0.088 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 172.5 | 176.3 | 67.9 | 0 | 0 | 0 | 0 | 111.7 | V79 C201 | V79-C168 HydrophobicContact CB-CB 4.41Å; V79-C168 HydrophobicContact CG2-CB 4.15Å; C168-C201 PolarHBondContact N-O 3.46Å; C168-C201 PolarHBondContact O-N 2.93Å; C168-C201 VanDerWaalsContact O-O 3.07Å |
| 169 | I | 93.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 136.7 | 176.8 | -70.3 | 169.5 | 0 | 0 | 0 | 109.2 | I75 S78 V79 A85 I87 I97 I189 A198 Y199 | I75-I169 HydrophobicContact CG2-CD1 4.07Å; I75-I169 HydrophobicContact CG2-CG1 4.32Å; S78-I169 CarbonylContact C-O 3.52Å; S78-I169 WeakPolarHBondContact CA-O 3.12Å; V79-I169 PolarHBondContact N-O 2.8Å; A85-I169 HydrophobicContact CB-CB 4Å; A85-I169 HydrophobicContact CB-CD1 3.94Å; A85-I169 HydrophobicContact CB-CG2 4.15Å; I87-I169 HydrophobicContact CG2-CD1 4.35Å; I97-I169 HydrophobicContact CD1-CD1 4.1Å; I169-I189 HydrophobicContact CD1-CD1 4.35Å; I169-A198 HydrophobicContact CG2-CB 3.78Å; I169-Y199 WeakPolarHBondContact CA-O 3.35Å |
| 170 | I | 91.4 | Very high | 86 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 149.8 | 176.5 | 69.9 | 172.5 | 0 | 0 | 0 | 111.6 | V79 P172 E176 C178 A198 Y199 C201 | V79-I170 HydrophobicContact CB-CG2 4.23Å; V79-I170 HydrophobicContact CG1-CG2 3.73Å; I170-P172 HydrophobicContact CD1-CG 4.42Å; I170-E176 WeakPolarHBondContact CA-OE2 3.42Å; I170-E176 HydrophobicContact CB-CB 4.28Å; I170-C178 HydrophobicContact CD1-CB 3.99Å; I170-A198 CarbonylContact O-C 3.58Å; I170-A198 WeakPolarHBondContact O-CA 3.19Å; I170-A198 VanDerWaalsContact O-CB 3.25Å; I170-A198 WeakPolarHBondContact O-CB 3.3Å; I170-Y199 PolarHBondContact N-O 2.88Å; I170-Y199 PolarHBondContact O-N 3.14Å; I170-C201 HydrophobicContact CG2-CB 4.41Å |
| 171 | I | 90.7 | Very high | 85.9 | Confident | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | trans | -124.7 | 92.8 | 177.1 | -46.9 | 169.2 | 0 | 0 | 0 | 108.9 | H83 E173 K174 E176 I191 A198 | H83-I171 HydrophobicContact CB-CD1 3.6Å; I171-E173 HydrophobicContact CG2-CB 4.38Å; I171-E173 PolarHBondContact O-N 3.2Å; I171-K174 HydrophobicContact CB-CB 4.28Å; I171-K174 HydrophobicContact CB-CG 4.16Å; I171-K174 HydrophobicContact CG2-CB 4.28Å; I171-K174 HydrophobicContact CG2-CG 3.73Å; I171-K174 WeakPolarHBondContact O-CA 3.47Å; I171-K174 PolarHBondContact O-N 2.79Å; I171-E176 PolarHBondContact N-OE2 3.37Å; I171-E176 PolarHBondContact O-N 2.81Å; I171-I191 HydrophobicContact CB-CD1 4.49Å; I171-I191 HydrophobicContact CD1-CD1 3.38Å; I171-I191 HydrophobicContact CG1-CD1 3.6Å; I171-I191 HydrophobicContact CG2-CD1 4.07Å; I171-A198 HydrophobicContact CG1-CB 4.2Å | ||
| 172 | P | 86.4 | Confident | 86.1 | Confident | 59 Ų | 59 | 35.7 Ų | 35.7 | 38% | 0.383 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -59.7 | -30.9 | -176.1 | -27.3 | 37.4 | 0 | 0 | 0 | 113.9 | I170 K174 Q175 E176 Y199 | I170-P172 HydrophobicContact CD1-CG 4.42Å; P172-K174 PolarHBondContact O-N 3.39Å; P172-Q175 PolarHBondContact O-N 3.14Å; P172-E176 WeakPolarHBondContact CA-O 3.26Å; P172-Y199 HydrophobicContact CG-CD2 3.86Å; P172-Y199 HydrophobicContact CG-CE2 3.99Å |
| 173 | E | 84.4 | Confident | 86.1 | Confident | 92 Ų | 92 | 36.9 Ų | 36.9 | 43% | 0.43 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -64.6 | -5.5 | 173.8 | -63 | 159.1 | -180 | 0 | 0 | 113.4 | I171 L196 K197 | I171-E173 HydrophobicContact CG2-CB 4.38Å; I171-E173 PolarHBondContact O-N 3.2Å; E173-L196 WeakPolarHBondContact OE2-CA 3.45Å; E173-L196 VanDerWaalsContact OE2-CB 3.22Å; E173-L196 WeakPolarHBondContact OE2-CB 3.35Å; E173-L196 WeakPolarHBondContact OE2-CD2 3.36Å; E173-K197 VanDerWaalsContact CD-N 3.34Å; E173-K197 WeakPolarHBondContact OE1-CB 3.35Å; E173-K197 PolarHBondContact OE1-N 3.1Å; E173-K197 VanDerWaalsContact OE1-N 3.08Å; E173-K197 PolarHBondContact OE2-N 3.19Å |
| 174 | K | 85.2 | Confident | 86.1 | Confident | 100 Ų | 100 | 40.3 Ų | 40.3 | 44% | 0.435 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -117.9 | 21.7 | 173.3 | -57.1 | -61.5 | 173.1 | -160.8 | 0 | 113 | H83 I171 P172 E176 | H83-K174 WeakPolarHBondContact NE2-CB 3.31Å; I171-K174 HydrophobicContact CB-CB 4.28Å; I171-K174 HydrophobicContact CB-CG 4.16Å; I171-K174 HydrophobicContact CG2-CB 4.28Å; I171-K174 HydrophobicContact CG2-CG 3.73Å; I171-K174 WeakPolarHBondContact O-CA 3.47Å; I171-K174 PolarHBondContact O-N 2.79Å; P172-K174 PolarHBondContact O-N 3.39Å; K174-E176 PolarHBondContact O-N 3.11Å |
| 175 | Q | 80.2 | Confident | 86 | Confident | 196 Ų | 196 | 40.5 Ų | 40.5 | 92% | 0.916 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 20.8 | -179.1 | -54.9 | 177 | -16.9 | 0 | 0 | 114.2 | P172 | P172-Q175 PolarHBondContact O-N 3.14Š|
| 176 | E | 84 | Confident | 85.5 | Confident | 16 Ų | 16 | 45 Ų | 45 | 8% | 0.075 | 23% | 0.233 | C | C | . | . | trans | -84.2 | 144.3 | 171.9 | -58.5 | -174.8 | 151 | 0 | 0 | 111.1 | S78 S80 H83 I170 I171 P172 K174 | S78-E176 VanDerWaalsContact CB-OE1 3.3Å; S78-E176 WeakPolarHBondContact CB-OE1 3.47Å; S78-E176 VanDerWaalsContact CB-OE2 3.27Å; S78-E176 WeakPolarHBondContact CB-OE2 3.11Å; S78-E176 PolarHBondContact OG-OE1 2.81Å; S78-E176 PolarHBondContact OG-OE2 3.35Å; S80-E176 WeakPolarHBondContact CB-OE1 3.17Å; S80-E176 PolarHBondContact N-OE1 3.38Å; S80-E176 PolarHBondContact OG-OE1 3.33Å; H83-E176 IonicContact CD2-OE1 2.76Å; I170-E176 WeakPolarHBondContact CA-OE2 3.42Å; I170-E176 HydrophobicContact CB-CB 4.28Å; I171-E176 PolarHBondContact N-OE2 3.37Å; I171-E176 PolarHBondContact O-N 2.81Å; P172-E176 WeakPolarHBondContact CA-O 3.26Å; K174-E176 PolarHBondContact O-N 3.11Å | ||
| 177 | S | 82.6 | Confident | 85.2 | Confident | 67 Ų | 67 | 47.5 Ų | 47.5 | 47% | 0.469 | 24% | 0.244 | S | C | . | . | trans | -128.6 | 151.3 | 176.1 | 61.7 | 0 | 0 | 0 | 0 | 111.1 | K587 | S177-K587 PolarHBondContact OG-NZ 2.89Š| ||
| 178 | C | 84.3 | Confident | 84.7 | Confident | 4 Ų | 4 | 48.3 Ų | 48.3 | 3% | 0.027 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -54 | 126.4 | 176.5 | -170.3 | 0 | 0 | 0 | 0 | 110.1 | I170 Y182 Q184 C201 N585 K587 | I170-C178 HydrophobicContact CD1-CB 3.99Å; C178-Y182 PolarHBondContact SG-O 2.8Å; C178-Q184 HydrophobicContact CB-CB 4.36Å; C178-C201 PolarHBondContact SG-SG 3.34Å; C178-N585 PolarHBondContact SG-ND2 3.42Å; C178-N585 VanDerWaalsContact SG-ND2 3.43Å; C178-K587 WeakPolarHBondContact O-CE 3.47Å; C178-K587 PolarHBondContact O-NZ 3.23Å |
| 179 | P | 81.4 | Confident | 84.4 | Confident | 21 Ų | 21 | 47.8 Ų | 47.8 | 14% | 0.136 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -65.8 | 163 | -174.8 | -19.7 | 30.9 | 0 | 0 | 0 | 113.8 | V79 Y182 N585 | V79-P179 HydrophobicContact CG2-CG 3.71Å; P179-Y182 HydrophobicContact CB-CD2 3.6Å; P179-Y182 HydrophobicContact CB-CE2 3.91Å; P179-Y182 HydrophobicContact CB-CG 4.11Å; P179-Y182 HydrophobicContact CG-CD2 4.11Å; P179-Y182 HydrophobicContact CG-CE2 4.38Å; P179-Y182 HydrophobicContact CG-CG 4.19Å; P179-Y182 PolarHBondContact O-N 3.14Å; P179-Y182 VanDerWaalsContact O-N 3.14Å; P179-N585 PolarHBondContact O-ND2 2.86Å |
| 180 | P | 75.3 | Confident | 83.8 | Confident | 38 Ų | 38 | 48.4 Ų | 48.4 | 25% | 0.247 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 137.9 | 172.9 | -22 | 34.1 | 0 | 0 | 0 | 111.8 | Y182 F565 Y578 | P180-Y182 VanDerWaalsContact C-N 3.26Å; P180-Y182 VanDerWaalsContact O-CD2 3.28Å; P180-Y182 WeakPolarHBondContact O-CD2 3.33Å; P180-Y182 PolarHBondContact O-N 2.77Å; P180-F565 HydrophobicContact CB-CD1 4.37Å; P180-F565 HydrophobicContact CB-CD2 4.19Å; P180-F565 HydrophobicContact CB-CE1 4.31Å; P180-F565 HydrophobicContact CB-CE2 4.12Å; P180-F565 HydrophobicContact CB-CG 4.3Å; P180-F565 HydrophobicContact CB-CZ 4.17Å; P180-Y578 HydrophobicContact CB-CD1 4.37Å; P180-Y578 HydrophobicContact CB-CE1 3.78Å |
| 181 | A | 76.1 | Confident | 83.2 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 3% | 0.033 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 14.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | R203 F565 Y578 D580 | A181-R203 WeakPolarHBondContact O-CG 3.24Å; A181-F565 HydrophobicContact CB-CD2 3.97Å; A181-Y578 PolarHBondContact N-OH 3.27Å; A181-D580 WeakPolarHBondContact CA-OD2 3.36Å |
| 182 | Y | 86.2 | Confident | 82.1 | Confident | 35 Ų | 35 | 50.4 Ų | 50.4 | 14% | 0.137 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 136.2 | 172.3 | -70.7 | -119.3 | 0 | 0 | 0 | 110.7 | D166 C178 P179 P180 C201 Y202 R203 N585 | D166-Y182 HydrophobicContact CB-CE1 4.05Å; D166-Y182 PolarHBondContact OD2-OH 3.26Å; D166-Y182 VanDerWaalsContact OD2-OH 3.1Å; C178-Y182 PolarHBondContact SG-O 2.8Å; P179-Y182 HydrophobicContact CB-CD2 3.6Å; P179-Y182 HydrophobicContact CB-CE2 3.91Å; P179-Y182 HydrophobicContact CB-CG 4.11Å; P179-Y182 HydrophobicContact CG-CD2 4.11Å; P179-Y182 HydrophobicContact CG-CE2 4.38Å; P179-Y182 HydrophobicContact CG-CG 4.19Å; P179-Y182 PolarHBondContact O-N 3.14Å; P179-Y182 VanDerWaalsContact O-N 3.14Å; P180-Y182 VanDerWaalsContact C-N 3.26Å; P180-Y182 VanDerWaalsContact O-CD2 3.28Å; P180-Y182 WeakPolarHBondContact O-CD2 3.33Å; P180-Y182 PolarHBondContact O-N 2.77Å; Y182-C201 HydrophobicContact CD1-CB 4.42Å; Y182-Y202 CarbonylContact C-O 3.58Å; Y182-Y202 WeakPolarHBondContact CA-O 3.18Å; Y182-R203 HydrophobicContact CD1-CB 3.94Å; Y182-R203 HydrophobicContact CD2-CB 4Å; Y182-R203 HydrophobicContact CD2-CG 4.48Å; Y182-R203 HydrophobicContact CE1-CB 3.81Å; Y182-R203 HydrophobicContact CE2-CB 3.88Å; Y182-R203 HydrophobicContact CE2-CG 4.32Å; Y182-R203 HydrophobicContact CG-CB 4.03Å; Y182-N585 PolarHBondContact O-ND2 3.45Å |
| 183 | R | 84.5 | Confident | 81 | Confident | 76 Ų | 76 | 52.7 Ų | 52.7 | 29% | 0.287 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 129.4 | 168.2 | -168.5 | 162.8 | 175.5 | -147.1 | 0.8 | 109.6 | D110 C201 Y202 T583 | D110-R183 IonicContact OD1-CZ 2.76Å; D110-R183 IonicContact OD1-NH1 2.74Å; D110-R183 PolarHBondContact OD1-NH1 3.09Å; D110-R183 IonicContact OD2-CZ 2.77Å; D110-R183 IonicContact OD2-NH1 2.72Å; D110-R183 PolarHBondContact OD2-NH1 3.29Å; R183-C201 CarbonylContact O-C 3.59Å; R183-C201 VanDerWaalsContact O-CA 3.29Å; R183-C201 WeakPolarHBondContact O-CA 3.25Å; R183-Y202 HydrophobicContact CB-CD1 4.42Å; R183-Y202 HydrophobicContact CB-CD2 4.41Å; R183-Y202 HydrophobicContact CB-CE1 4.11Å; R183-Y202 HydrophobicContact CB-CE2 4.1Å; R183-Y202 WeakPolarHBondContact CD-OH 3.22Å; R183-Y202 HydrophobicContact CG-CE1 4.22Å; R183-Y202 PolarHBondContact N-O 2.96Å; R183-Y202 PolarHBondContact NH1-OH 3.11Å; R183-Y202 WeakPolarHBondContact O-CD1 3.27Å; R183-Y202 PolarHBondContact O-N 2.86Å; R183-T583 HydrophobicContact CB-CG2 3.56Å; R183-T583 HydrophobicContact CG-CG2 4.14Å |
| 184 | Q | 89 | Confident | 80.2 | Confident | 71 Ų | 71 | 57.1 Ų | 57.1 | 33% | 0.332 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 132.4 | 169.7 | -169 | 175.4 | -40.6 | 0 | 0 | 109.4 | C178 Y199 | C178-Q184 HydrophobicContact CB-CB 4.36Å; Q184-Y199 HydrophobicContact CG-CD1 4.08Å; Q184-Y199 HydrophobicContact CG-CG 4.02Å; Q184-Y199 VanDerWaalsContact NE2-CD1 3.26Å |
| 185 | V | 87.9 | Confident | 79.4 | Confident | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.024 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 140.4 | 167.5 | 175.7 | 0 | 0 | 0 | 0 | 108.7 | I111 T113 Y199 I200 Y202 | I111-V185 HydrophobicContact CG2-CG2 4.19Å; T113-V185 HydrophobicContact CG2-CG1 3.77Å; V185-Y199 WeakPolarHBondContact O-CD1 3.43Å; V185-I200 HydrophobicContact CB-CB 4.27Å; V185-I200 HydrophobicContact CG2-CB 3.9Å; V185-I200 HydrophobicContact CG2-CG2 4.13Å; V185-I200 PolarHBondContact N-O 2.81Å; V185-Y202 HydrophobicContact CG2-CD1 4.01Å; V185-Y202 HydrophobicContact CG2-CE1 3.67Å |
| 186 | T | 78.6 | Confident | 79.3 | Confident | 102 Ų | 102 | 52.9 Ų | 52.9 | 63% | 0.626 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -73.3 | -39.4 | -168.9 | 46.7 | 0 | 0 | 0 | 0 | 114.1 | ||
| 187 | E | 82.1 | Confident | 79.3 | Confident | 87 Ų | 87 | 57 Ų | 57 | 41% | 0.407 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -82.1 | 133.3 | 178.5 | -64 | -58.7 | 143.6 | 0 | 0 | 111.3 | T113 L146 | T113-E187 HydrophobicContact CG2-CB 4.35Å; T113-E187 WeakPolarHBondContact OG1-CB 3.35Å; T113-E187 VanDerWaalsContact OG1-CG 3.31Å; T113-E187 WeakPolarHBondContact OG1-CG 3.28Å; L146-E187 HydrophobicContact CD1-CG 4.33Å; L146-E187 HydrophobicContact CD2-CB 3.8Å; L146-E187 HydrophobicContact CD2-CG 4.24Å |
| 188 | P | 83.4 | Confident | 79.6 | Confident | 24 Ų | 24 | 53.8 Ų | 53.8 | 16% | 0.156 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 144.2 | 174 | 29.4 | -32.7 | 0 | 0 | 0 | 111.5 | K197 A198 Y199 | P188-K197 HydrophobicContact CB-CB 4.09Å; P188-K197 HydrophobicContact CB-CD 4.06Å; P188-K197 HydrophobicContact CB-CG 4.08Å; P188-K197 HydrophobicContact CG-CD 4.17Å; P188-A198 WeakPolarHBondContact CA-O 3.44Å; P188-Y199 HydrophobicContact CB-CD1 4.31Å; P188-Y199 HydrophobicContact CB-CE1 3.74Å; P188-Y199 HydrophobicContact CB-CE2 4.27Å; P188-Y199 HydrophobicContact CG-CE1 4.4Å |
| 189 | I | 85.1 | Confident | 79.9 | Confident | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 139.6 | 167.8 | 45.5 | 162.4 | 0 | 0 | 0 | 109.6 | I87 L138 I169 A198 I200 | I87-I189 HydrophobicContact CG2-CD1 3.68Å; L138-I189 HydrophobicContact CD1-CG2 4Å; L138-I189 HydrophobicContact CD2-CG2 4.12Å; I169-I189 HydrophobicContact CD1-CD1 4.35Å; I189-A198 HydrophobicContact CD1-CB 4.35Å; I189-A198 HydrophobicContact CG1-CB 4.13Å; I189-A198 VanDerWaalsContact CG1-O 3.28Å; I189-A198 WeakPolarHBondContact CG1-O 3.3Å; I189-A198 PolarHBondContact N-O 3.38Å; I189-A198 PolarHBondContact O-N 3.38Å; I189-I200 HydrophobicContact CD1-CD1 4.3Å; I189-I200 HydrophobicContact CD1-CG1 3.67Å; I189-I200 HydrophobicContact CG1-CG1 4.36Å; I189-I200 HydrophobicContact CG2-CD1 4.49Å |
| 190 | C | 81.7 | Confident | 80.4 | Confident | 14 Ų | 14 | 55 Ų | 55 | 10% | 0.095 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 139.1 | 170.1 | -62.3 | 0 | 0 | 0 | 0 | 110.1 | L88 P139 | L88-C190 HydrophobicContact CB-CB 4.32Å; L88-C190 PolarHBondContact N-O 2.82Å; P139-C190 HydrophobicContact CG-CB 3.74Å; P139-C190 PolarHBondContact O-SG 3.18Å; P139-C190 VanDerWaalsContact O-SG 3.38Å |
| 191 | I | 77.3 | Confident | 81.2 | Confident | 24 Ų | 24 | 53.1 Ų | 53.1 | 12% | 0.123 | 26% | 0.26 | C | S | . | . | trans | -120.7 | 12.8 | 177.3 | 55.4 | 154.5 | 0 | 0 | 0 | 113.7 | N86 I87 I171 L196 A198 | N86-I191 CarbonylContact O-C 3.58Å; N86-I191 WeakPolarHBondContact O-CA 3.49Å; N86-I191 WeakPolarHBondContact O-CB 3.44Å; N86-I191 WeakPolarHBondContact O-CG2 3.44Å; I87-I191 HydrophobicContact CG2-CG2 4.47Å; I171-I191 HydrophobicContact CB-CD1 4.49Å; I171-I191 HydrophobicContact CD1-CD1 3.38Å; I171-I191 HydrophobicContact CG1-CD1 3.6Å; I171-I191 HydrophobicContact CG2-CD1 4.07Å; I191-L196 HydrophobicContact CG1-CB 4.16Å; I191-L196 WeakPolarHBondContact CG1-O 3.36Å; I191-L196 PolarHBondContact N-O 2.64Å; I191-L196 VanDerWaalsContact N-O 3.15Å; I191-A198 HydrophobicContact CB-CB 4.33Å; I191-A198 HydrophobicContact CD1-CB 4.02Å; I191-A198 HydrophobicContact CG1-CB 3.95Å; I191-A198 HydrophobicContact CG2-CB 3.46Å; I191-A198 VanDerWaalsContact CG2-CB 3.46Å | ||
| 192 | S | 69.1 | Low | 82 | Confident | 23 Ų | 23 | 53 Ų | 53 | 16% | 0.161 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -164.1 | 160.8 | 176.8 | 63.2 | 0 | 0 | 0 | 0 | 111.5 | F194 R195 L196 | S192-F194 PolarHBondContact O-N 3.37Å; S192-F194 VanDerWaalsContact O-N 3.14Å; S192-R195 WeakPolarHBondContact O-CA 3.43Å; S192-R195 PolarHBondContact O-N 3.14Å; S192-L196 WeakPolarHBondContact OG-CB 3.4Å; S192-L196 VanDerWaalsContact OG-CG 3.28Å; S192-L196 WeakPolarHBondContact OG-CG 3.22Å; S192-L196 PolarHBondContact OG-N 3.34Å |
| 193 | S | 63.8 | Low | 81.9 | Confident | 106 Ų | 106 | 51.9 Ų | 51.9 | 74% | 0.741 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -22.3 | 173.2 | -42.4 | 0 | 0 | 0 | 0 | 113.6 | R195 | S193-R195 PolarHBondContact O-N 3.47Š|
| 194 | F | 66.7 | Low | 81.9 | Confident | 185 Ų | 185 | 50.5 Ų | 50.5 | 81% | 0.811 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | 2.4 | 173.1 | -62.5 | -73.1 | 0 | 0 | 0 | 113.6 | S192 L196 | S192-F194 PolarHBondContact O-N 3.37Å; S192-F194 VanDerWaalsContact O-N 3.14Å; F194-L196 HydrophobicContact CB-CG 4.46Å; F194-L196 PolarHBondContact O-N 2.99Å |
| 195 | R | 68.8 | Low | 81.4 | Confident | 150 Ų | 150 | 47.2 Ų | 47.2 | 57% | 0.566 | 24% | 0.235 | S | C | * | . | trans | 57.1 | 31.3 | -176.5 | -58.8 | -175.3 | 175.9 | -170.9 | -2.8 | 114.3 | S192 S193 K197 | S192-R195 WeakPolarHBondContact O-CA 3.43Å; S192-R195 PolarHBondContact O-N 3.14Å; S193-R195 PolarHBondContact O-N 3.47Å; R195-K197 PolarHBondContact O-N 2.76Å | ||
| 196 | L | 77.8 | Confident | 81 | Confident | 57 Ų | 57 | 48 Ų | 48 | 30% | 0.298 | 24% | 0.238 | S | C | . | . | trans | -52.9 | 127.4 | 166.7 | -64.5 | 175.1 | 0 | 0 | 0 | 109.4 | E173 I191 S192 F194 | E173-L196 WeakPolarHBondContact OE2-CA 3.45Å; E173-L196 VanDerWaalsContact OE2-CB 3.22Å; E173-L196 WeakPolarHBondContact OE2-CB 3.35Å; E173-L196 WeakPolarHBondContact OE2-CD2 3.36Å; I191-L196 HydrophobicContact CG1-CB 4.16Å; I191-L196 WeakPolarHBondContact CG1-O 3.36Å; I191-L196 PolarHBondContact N-O 2.64Å; I191-L196 VanDerWaalsContact N-O 3.15Å; S192-L196 WeakPolarHBondContact OG-CB 3.4Å; S192-L196 VanDerWaalsContact OG-CG 3.28Å; S192-L196 WeakPolarHBondContact OG-CG 3.22Å; S192-L196 PolarHBondContact OG-N 3.34Å; F194-L196 HydrophobicContact CB-CG 4.46Å; F194-L196 PolarHBondContact O-N 2.99Å | ||
| 197 | K | 84.7 | Confident | 80.8 | Confident | 103 Ų | 103 | 43.9 Ų | 43.9 | 45% | 0.448 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 123.4 | -176.2 | -67.1 | -178.3 | 178.5 | -178.1 | 0 | 110.8 | E173 P188 R195 | E173-K197 VanDerWaalsContact CD-N 3.34Å; E173-K197 WeakPolarHBondContact OE1-CB 3.35Å; E173-K197 PolarHBondContact OE1-N 3.1Å; E173-K197 VanDerWaalsContact OE1-N 3.08Å; E173-K197 PolarHBondContact OE2-N 3.19Å; P188-K197 HydrophobicContact CB-CB 4.09Å; P188-K197 HydrophobicContact CB-CD 4.06Å; P188-K197 HydrophobicContact CB-CG 4.08Å; P188-K197 HydrophobicContact CG-CD 4.17Å; R195-K197 PolarHBondContact O-N 2.76Å |
| 198 | A | 88.3 | Confident | 80.3 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 166.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | I169 I170 I171 P188 I189 I191 | I169-A198 HydrophobicContact CG2-CB 3.78Å; I170-A198 CarbonylContact O-C 3.58Å; I170-A198 WeakPolarHBondContact O-CA 3.19Å; I170-A198 VanDerWaalsContact O-CB 3.25Å; I170-A198 WeakPolarHBondContact O-CB 3.3Å; I171-A198 HydrophobicContact CG1-CB 4.2Å; P188-A198 WeakPolarHBondContact CA-O 3.44Å; I189-A198 HydrophobicContact CD1-CB 4.35Å; I189-A198 HydrophobicContact CG1-CB 4.13Å; I189-A198 VanDerWaalsContact CG1-O 3.28Å; I189-A198 WeakPolarHBondContact CG1-O 3.3Å; I189-A198 PolarHBondContact N-O 3.38Å; I189-A198 PolarHBondContact O-N 3.38Å; I191-A198 HydrophobicContact CB-CB 4.33Å; I191-A198 HydrophobicContact CD1-CB 4.02Å; I191-A198 HydrophobicContact CG1-CB 3.95Å; I191-A198 HydrophobicContact CG2-CB 3.46Å; I191-A198 VanDerWaalsContact CG2-CB 3.46Å |
| 199 | Y | 90.3 | Very high | 79.6 | Confident | 45 Ų | 45 | 42.9 Ų | 42.9 | 18% | 0.176 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 143.5 | 173.6 | -66.5 | -92.7 | 0 | 0 | 0 | 110.4 | I169 I170 P172 Q184 V185 P188 | I169-Y199 WeakPolarHBondContact CA-O 3.35Å; I170-Y199 PolarHBondContact N-O 2.88Å; I170-Y199 PolarHBondContact O-N 3.14Å; P172-Y199 HydrophobicContact CG-CD2 3.86Å; P172-Y199 HydrophobicContact CG-CE2 3.99Å; Q184-Y199 HydrophobicContact CG-CD1 4.08Å; Q184-Y199 HydrophobicContact CG-CG 4.02Å; Q184-Y199 VanDerWaalsContact NE2-CD1 3.26Å; V185-Y199 WeakPolarHBondContact O-CD1 3.43Å; P188-Y199 HydrophobicContact CB-CD1 4.31Å; P188-Y199 HydrophobicContact CB-CE1 3.74Å; P188-Y199 HydrophobicContact CB-CE2 4.27Å; P188-Y199 HydrophobicContact CG-CE1 4.4Å |
| 200 | I | 92.7 | Very high | 79.5 | Confident | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 129.3 | 169.4 | -59 | 172 | 0 | 0 | 0 | 107.5 | I97 L148 L167 V185 I189 | I97-I200 HydrophobicContact CD1-CD1 3.56Å; I97-I200 HydrophobicContact CD1-CG1 3.94Å; L148-I200 HydrophobicContact CD1-CD1 3.67Å; L148-I200 HydrophobicContact CD2-CD1 4.07Å; L167-I200 HydrophobicContact CD1-CG2 3.53Å; L167-I200 HydrophobicContact CG-CG2 4.49Å; V185-I200 HydrophobicContact CB-CB 4.27Å; V185-I200 HydrophobicContact CG2-CB 3.9Å; V185-I200 HydrophobicContact CG2-CG2 4.13Å; V185-I200 PolarHBondContact N-O 2.81Å; I189-I200 HydrophobicContact CD1-CD1 4.3Å; I189-I200 HydrophobicContact CD1-CG1 3.67Å; I189-I200 HydrophobicContact CG1-CG1 4.36Å; I189-I200 HydrophobicContact CG2-CD1 4.49Å |
| 201 | C | 92 | Very high | 79.7 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 132.1 | 179 | -69.7 | 0 | 0 | 0 | 0 | 109.4 | C168 I170 C178 Y182 R183 | C168-C201 PolarHBondContact N-O 3.46Å; C168-C201 PolarHBondContact O-N 2.93Å; C168-C201 VanDerWaalsContact O-O 3.07Å; I170-C201 HydrophobicContact CG2-CB 4.41Å; C178-C201 PolarHBondContact SG-SG 3.34Å; Y182-C201 HydrophobicContact CD1-CB 4.42Å; R183-C201 CarbonylContact O-C 3.59Å; R183-C201 VanDerWaalsContact O-CA 3.29Å; R183-C201 WeakPolarHBondContact O-CA 3.25Å |
| 202 | Y | 91.6 | Very high | 80.3 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 140.1 | -175.9 | 63 | -85.4 | 0 | 0 | 0 | 112.4 | D110 I111 V164 D166 Y182 R183 V185 K204 | D110-Y202 PolarHBondContact OD1-OH 3.45Å; I111-Y202 HydrophobicContact CB-CD1 3.98Å; I111-Y202 HydrophobicContact CB-CE1 3.79Å; I111-Y202 HydrophobicContact CB-CE2 4.43Å; I111-Y202 HydrophobicContact CB-CG 4.37Å; I111-Y202 HydrophobicContact CD1-CD1 4.35Å; I111-Y202 HydrophobicContact CD1-CD2 4.44Å; I111-Y202 HydrophobicContact CD1-CG 4.07Å; I111-Y202 PolarHBondContact N-OH 3.43Å; I111-Y202 WeakPolarHBondContact O-CE1 3.4Å; I111-Y202 PolarHBondContact O-OH 2.9Å; V164-Y202 HydrophobicContact CG1-CD2 4.11Å; V164-Y202 HydrophobicContact CG1-CG 4.45Å; V164-Y202 HydrophobicContact CG2-CD2 3.8Å; V164-Y202 HydrophobicContact CG2-CE2 4.16Å; D166-Y202 CarbonylContact O-C 3.59Å; D166-Y202 WeakPolarHBondContact O-CA 3.26Å; D166-Y202 WeakPolarHBondContact O-CB 3.49Å; Y182-Y202 CarbonylContact C-O 3.58Å; Y182-Y202 WeakPolarHBondContact CA-O 3.18Å; R183-Y202 HydrophobicContact CB-CD1 4.42Å; R183-Y202 HydrophobicContact CB-CD2 4.41Å; R183-Y202 HydrophobicContact CB-CE1 4.11Å; R183-Y202 HydrophobicContact CB-CE2 4.1Å; R183-Y202 WeakPolarHBondContact CD-OH 3.22Å; R183-Y202 HydrophobicContact CG-CE1 4.22Å; R183-Y202 PolarHBondContact N-O 2.96Å; R183-Y202 PolarHBondContact NH1-OH 3.11Å; R183-Y202 WeakPolarHBondContact O-CD1 3.27Å; R183-Y202 PolarHBondContact O-N 2.86Å; V185-Y202 HydrophobicContact CG2-CD1 4.01Å; V185-Y202 HydrophobicContact CG2-CE1 3.67Å; Y202-K204 HydrophobicContact CE2-CG 4.49Å |
| 203 | R | 85.2 | Confident | 81.1 | Confident | 11 Ų | 11 | 41 Ų | 41 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 144.2 | 178 | -177.6 | 158.7 | -174.4 | -154.4 | 1.4 | 110.6 | V164 T165 D166 A181 Y182 S562 F565 D566 | V164-R203 CarbonylContact C-O 3.5Å; V164-R203 WeakPolarHBondContact CA-O 3.42Å; T165-R203 PolarHBondContact N-O 3.2Å; D166-R203 HydrophobicContact CB-CB 4.21Å; D166-R203 PolarHBondContact O-N 2.94Å; A181-R203 WeakPolarHBondContact O-CG 3.24Å; Y182-R203 HydrophobicContact CD1-CB 3.94Å; Y182-R203 HydrophobicContact CD2-CB 4Å; Y182-R203 HydrophobicContact CD2-CG 4.48Å; Y182-R203 HydrophobicContact CE1-CB 3.81Å; Y182-R203 HydrophobicContact CE2-CB 3.88Å; Y182-R203 HydrophobicContact CE2-CG 4.32Å; Y182-R203 HydrophobicContact CG-CB 4.03Å; R203-S562 PolarHBondContact NH2-O 3.1Å; R203-F565 PolarHBondContact NH1-O 3.49Å; R203-D566 VanDerWaalsContact CZ-CG 3.49Å; R203-D566 IonicContact CZ-OD1 2.67Å; R203-D566 IonicContact CZ-OD2 2.82Å; R203-D566 IonicContact NH1-OD1 3.36Å; R203-D566 PolarHBondContact NH1-OD1 3.4Å; R203-D566 IonicContact NH1-OD2 3.29Å; R203-D566 PolarHBondContact NH1-OD2 3Å; R203-D566 VanDerWaalsContact NH2-CG 3.32Å; R203-D566 VanDerWaalsContact NH2-N 3.18Å; R203-D566 IonicContact NH2-OD1 3.41Å; R203-D566 IonicContact NH2-OD2 3.2Å; R203-D566 PolarHBondContact NH2-OD2 3.43Å |
| 204 | K | 83.4 | Confident | 82.4 | Confident | 47 Ų | 47 | 36.8 Ų | 36.8 | 20% | 0.204 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 148.6 | 166.7 | -62.7 | -163.8 | -173.4 | -166.5 | 0 | 111.5 | R109 D110 L162 A163 Y202 | R109-K204 VanDerWaalsContact O-CE 3.27Å; R109-K204 WeakPolarHBondContact O-CE 3.5Å; R109-K204 PolarHBondContact O-NZ 3.49Å; D110-K204 WeakPolarHBondContact OD1-CE 3.44Å; D110-K204 IonicContact OD1-NZ 3.71Å; D110-K204 PolarHBondContact OD1-NZ 2.95Å; L162-K204 HydrophobicContact CB-CD 4.17Å; L162-K204 HydrophobicContact CD1-CD 4.49Å; A163-K204 CarbonylContact O-C 3.5Å; A163-K204 WeakPolarHBondContact O-CA 3.48Å; Y202-K204 HydrophobicContact CE2-CG 4.49Å |
| 205 | S | 79.3 | Confident | 83.5 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.014 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 179.2 | 168.5 | -167.6 | 0 | 0 | 0 | 0 | 109.3 | L162 A163 T165 R563 | L162-S205 CarbonylContact C-O 3.57Å; L162-S205 WeakPolarHBondContact CA-O 3.3Å; A163-S205 PolarHBondContact N-O 2.76Å; A163-S205 PolarHBondContact O-N 3.44Å; T165-S205 WeakPolarHBondContact OG1-CB 3.23Å; S205-R563 WeakPolarHBondContact OG-CD 3.45Å; S205-R563 WeakPolarHBondContact OG-CG 3.4Å |
| 206 | L | 78.6 | Confident | 84.6 | Confident | 20 Ų | 20 | 24.1 Ų | 24.1 | 11% | 0.105 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 154.2 | 177 | -55.8 | 174.7 | 0 | 0 | 0 | 111 | D160 L162 K208 V513 | D160-L206 WeakPolarHBondContact O-CD2 3.43Å; L162-L206 HydrophobicContact CD2-CD2 4.11Å; L206-K208 HydrophobicContact CB-CD 4.43Å; L206-K208 HydrophobicContact CB-CG 4.01Å; L206-K208 HydrophobicContact CD1-CD 4.06Å; L206-K208 PolarHBondContact O-N 3.17Å; L206-V513 HydrophobicContact CD1-CG1 4.27Å; L206-V513 HydrophobicContact CD2-CG1 3.66Å; L206-V513 HydrophobicContact CG-CG1 3.93Å |
| 207 | V | 75.5 | Confident | 85.3 | Confident | 17 Ų | 17 | 23.3 Ų | 23.3 | 10% | 0.103 | 11% | 0.106 | C | C | . | . | trans | -70.9 | -18.3 | 179.3 | 169.1 | 0 | 0 | 0 | 0 | 113.3 | F107 I159 C161 A163 Q209 | F107-V207 HydrophobicContact CD1-CG1 4.28Å; F107-V207 HydrophobicContact CD1-CG2 3.64Å; F107-V207 HydrophobicContact CD2-CG2 3.97Å; F107-V207 HydrophobicContact CE1-CG1 4.29Å; F107-V207 HydrophobicContact CE1-CG2 3.47Å; F107-V207 VanDerWaalsContact CE1-CG2 3.47Å; F107-V207 HydrophobicContact CE2-CG2 3.76Å; F107-V207 HydrophobicContact CG-CG2 3.9Å; F107-V207 HydrophobicContact CZ-CG2 3.53Å; I159-V207 PolarHBondContact O-N 3.39Å; C161-V207 HydrophobicContact CB-CG2 4.33Å; C161-V207 WeakPolarHBondContact O-CG2 3.37Å; C161-V207 PolarHBondContact O-N 2.89Å; A163-V207 HydrophobicContact CB-CG2 3.71Å; V207-Q209 PolarHBondContact O-N 2.99Å | ||
| 208 | K | 70.5 | Confident | 85.7 | Confident | 17 Ų | 17 | 19.2 Ų | 19.2 | 7% | 0.074 | 9% | 0.09 | C | C | . | . | trans | -31.6 | 111.7 | -174.4 | -64.1 | -168.7 | 171.4 | -156.2 | 0 | 114.1 | I159 L206 I211 E302 Y336 | I159-K208 HydrophobicContact CB-CG 4.32Å; I159-K208 WeakPolarHBondContact O-CG 3.3Å; I159-K208 PolarHBondContact O-N 2.87Å; L206-K208 HydrophobicContact CB-CD 4.43Å; L206-K208 HydrophobicContact CB-CG 4.01Å; L206-K208 HydrophobicContact CD1-CD 4.06Å; L206-K208 PolarHBondContact O-N 3.17Å; K208-I211 HydrophobicContact CD-CD1 4.28Å; K208-E302 VanDerWaalsContact CD-OE2 3.22Å; K208-E302 WeakPolarHBondContact CD-OE2 3.3Å; K208-E302 WeakPolarHBondContact CE-OE2 3.48Å; K208-E302 IonicContact NZ-OE1 3.25Å; K208-E302 PolarHBondContact NZ-OE1 3.11Å; K208-E302 IonicContact NZ-OE2 2.69Å; K208-E302 PolarHBondContact NZ-OE2 3.42Å; K208-Y336 PolarHBondContact NZ-OH 3.14Å | ||
| 209 | Q | 68.9 | Low | 85.9 | Confident | 73 Ų | 73 | 22.6 Ų | 22.6 | 34% | 0.341 | 11% | 0.108 | S | C | . | . | trans | -93.5 | -49.4 | 179.6 | 175.7 | -176.9 | 10.1 | 0 | 0 | 112.1 | R103 V207 R393 | R103-Q209 VanDerWaalsContact CD-CD 3.45Å; R103-Q209 VanDerWaalsContact CD-CG 3.5Å; V207-Q209 PolarHBondContact O-N 2.99Å; Q209-R393 VanDerWaalsContact OE1-NH1 3.14Å | ||
| 210 | C | 83.4 | Confident | 86 | Confident | 5 Ų | 5 | 25.4 Ų | 25.4 | 3% | 0.034 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 100.6 | -162.9 | -73.9 | 0 | 0 | 0 | 0 | 107.7 | E302 S303 L351 | C210-E302 CarbonylContact O-C 3.55Å; C210-E302 VanDerWaalsContact O-CA 3.24Å; C210-E302 WeakPolarHBondContact O-CA 3.39Å; C210-S303 WeakPolarHBondContact CB-OG 3.45Å; C210-S303 PolarHBondContact O-N 3.39Å; C210-L351 WeakPolarHBondContact CB-O 3.48Å; C210-L351 PolarHBondContact SG-O 3.5Å |
| 211 | I | 86.3 | Confident | 85.8 | Confident | 4 Ų | 4 | 30.6 Ų | 30.6 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 138.2 | -172.6 | 179.4 | 166.6 | 0 | 0 | 0 | 111.2 | T48 F50 K208 I301 E302 | T48-I211 WeakPolarHBondContact CA-O 3.49Å; T48-I211 WeakPolarHBondContact CB-O 3.49Å; T48-I211 WeakPolarHBondContact CG2-O 3.29Å; F50-I211 HydrophobicContact CD2-CG2 3.68Å; F50-I211 HydrophobicContact CE2-CD1 4.26Å; F50-I211 HydrophobicContact CE2-CG2 3.75Å; K208-I211 HydrophobicContact CD-CD1 4.28Å; I211-I301 CarbonylContact C-O 3.1Å; I211-I301 WeakPolarHBondContact CA-O 3.44Å; I211-E302 HydrophobicContact CB-CG 3.94Å; I211-E302 HydrophobicContact CD1-CG 3.95Å; I211-E302 WeakPolarHBondContact CD1-OE1 3.44Å; I211-E302 HydrophobicContact CG1-CG 3.72Å |
| 212 | I | 88.5 | Confident | 85.5 | Confident | 7 Ų | 7 | 34.1 Ų | 34.1 | 4% | 0.036 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 113.8 | 169.9 | -44.6 | 173.5 | 0 | 0 | 0 | 108.5 | Y214 S300 I301 K347 C350 L351 | I212-Y214 HydrophobicContact CB-CE2 3.81Å; I212-Y214 HydrophobicContact CG2-CD2 4.28Å; I212-Y214 HydrophobicContact CG2-CE1 4.19Å; I212-Y214 HydrophobicContact CG2-CE2 3.52Å; I212-Y214 VanDerWaalsContact CG2-CZ 3.49Å; I212-Y214 WeakPolarHBondContact O-CD2 3.39Å; I212-S300 VanDerWaalsContact O-CA 3.3Å; I212-S300 WeakPolarHBondContact O-CA 3.42Å; I212-I301 PolarHBondContact N-O 3.07Å; I212-I301 PolarHBondContact O-N 3.42Å; I212-K347 HydrophobicContact CD1-CB 4.12Å; I212-K347 HydrophobicContact CD1-CG 3.96Å; I212-C350 HydrophobicContact CD1-CB 3.8Å; I212-C350 HydrophobicContact CG1-CB 3.75Å; I212-L351 HydrophobicContact CD1-CD1 3.98Å; I212-L351 HydrophobicContact CD1-CD2 4.43Å; I212-L351 HydrophobicContact CD1-CG 3.89Å; I212-L351 HydrophobicContact CG1-CD2 4.25Å; I212-L351 HydrophobicContact CG1-CG 4.18Å |
| 213 | S | 87.6 | Confident | 85.2 | Confident | 8 Ų | 8 | 37.4 Ų | 37.4 | 6% | 0.056 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 130.3 | 177.3 | -74.7 | 0 | 0 | 0 | 0 | 112.3 | Y26 W297 | Y26-S213 WeakPolarHBondContact CB-O 3.22Å; Y26-S213 PolarHBondContact N-O 2.85Å; S213-W297 VanDerWaalsContact CB-O 3.23Å; S213-W297 WeakPolarHBondContact CB-O 3.48Å; S213-W297 PolarHBondContact OG-O 2.78Å |
| 214 | Y | 90.4 | Very high | 84.8 | Confident | 16 Ų | 16 | 37 Ų | 37 | 6% | 0.063 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 161.7 | 176.3 | -59.3 | -88.8 | 0 | 0 | 0 | 110.9 | L19 P23 S24 I212 G298 A299 I301 | L19-Y214 HydrophobicContact CD1-CD2 3.43Å; L19-Y214 VanDerWaalsContact CD1-CD2 3.43Å; L19-Y214 HydrophobicContact CD1-CE2 4.21Å; L19-Y214 HydrophobicContact CD1-CG 3.67Å; P23-Y214 HydrophobicContact CB-CD1 3.61Å; P23-Y214 HydrophobicContact CB-CE1 3.99Å; P23-Y214 HydrophobicContact CB-CG 3.87Å; P23-Y214 HydrophobicContact CG-CD1 4.39Å; P23-Y214 HydrophobicContact CG-CE1 4.28Å; S24-Y214 CarbonylContact O-C 3.58Å; S24-Y214 WeakPolarHBondContact O-CA 3.34Å; S24-Y214 VanDerWaalsContact O-CB 3.29Å; S24-Y214 WeakPolarHBondContact O-CB 3.44Å; I212-Y214 HydrophobicContact CB-CE2 3.81Å; I212-Y214 HydrophobicContact CG2-CD2 4.28Å; I212-Y214 HydrophobicContact CG2-CE1 4.19Å; I212-Y214 HydrophobicContact CG2-CE2 3.52Å; I212-Y214 VanDerWaalsContact CG2-CZ 3.49Å; I212-Y214 WeakPolarHBondContact O-CD2 3.39Å; Y214-G298 CarbonylContact O-C 3.55Å; Y214-G298 WeakPolarHBondContact O-CA 3.36Å; Y214-A299 PolarHBondContact N-O 2.82Å; Y214-A299 PolarHBondContact O-N 2.97Å; Y214-I301 HydrophobicContact CE2-CD1 3.7Å; Y214-I301 HydrophobicContact CE2-CG1 4Å |
| 215 | K | 89 | Confident | 84 | Confident | 67 Ų | 67 | 37.8 Ų | 37.8 | 29% | 0.291 | 17% | 0.173 | S | C | . | . | trans | -57.7 | 125.2 | 172.2 | -168.9 | -176 | 178.6 | -169 | 0 | 109.1 | P20 S24 N263 | P20-K215 WeakPolarHBondContact CD-O 3.45Å; S24-K215 PolarHBondContact O-N 3.49Å; K215-N263 PolarHBondContact NZ-OD1 3.16Å | ||
| 216 | P | 92.6 | Very high | 82.7 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.019 | 18% | 0.179 | C | C | . | . | trans | -80.4 | 143.7 | 179.6 | 33.9 | -29.9 | 0 | 0 | 0 | 109.2 | A291 L295 A299 | P216-A291 HydrophobicContact CB-CB 4.14Å; P216-A291 HydrophobicContact CG-CB 4.36Å; P216-L295 HydrophobicContact CB-CB 3.83Å; P216-L295 HydrophobicContact CB-CD1 3.95Å; P216-L295 HydrophobicContact CG-CB 4.27Å; P216-A299 HydrophobicContact CB-CB 4.19Å | ||
| 217 | E | 92.3 | Very high | 81.3 | Confident | 39 Ų | 39 | 37.8 Ų | 37.8 | 18% | 0.182 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 160.4 | 172.9 | -66.5 | -167.9 | 168 | 0 | 0 | 111.1 | C17 G18 P20 L219 | C17-E217 WeakPolarHBondContact CA-O 3.29Å; G18-E217 PolarHBondContact N-O 2.94Å; G18-E217 PolarHBondContact O-N 3.25Å; P20-E217 HydrophobicContact CB-CB 4.04Å; P20-E217 HydrophobicContact CB-CG 3.95Å; P20-E217 VanDerWaalsContact CB-OE2 3.28Å; P20-E217 WeakPolarHBondContact CB-OE2 3.19Å; P20-E217 HydrophobicContact CG-CB 4.32Å; P20-E217 HydrophobicContact CG-CG 3.91Å; E217-L219 PolarHBondContact O-N 2.8Å |
| 218 | V | 93.6 | Very high | 79.3 | Confident | 17 Ų | 17 | 38.8 Ų | 38.8 | 10% | 0.103 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 109.5 | 166.7 | 172.8 | 0 | 0 | 0 | 0 | 107.6 | V15 Y220 W221 I287 A291 | V15-V218 HydrophobicContact CG1-CB 4.34Å; V15-V218 HydrophobicContact CG1-CG1 3.7Å; V15-V218 HydrophobicContact CG1-CG2 3.76Å; V218-Y220 WeakPolarHBondContact CG1-O 3.33Å; V218-W221 HydrophobicContact CG1-CB 3.81Å; V218-W221 HydrophobicContact CG1-CG 4.09Å; V218-I287 VanDerWaalsContact CG2-O 3.22Å; V218-I287 WeakPolarHBondContact CG2-O 3.4Å; V218-A291 HydrophobicContact CG2-CB 4.1Å |
| 219 | L | 92.8 | Very high | 77.6 | Confident | 72 Ų | 72 | 44.3 Ų | 44.3 | 38% | 0.377 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | -28.6 | -179.8 | -53 | -175.8 | 0 | 0 | 0 | 111.8 | I16 L19 E217 K399 | I16-L219 PolarHBondContact O-N 3.43Å; L19-L219 WeakPolarHBondContact O-CD2 3.33Å; E217-L219 PolarHBondContact O-N 2.8Å; L219-K399 HydrophobicContact CD1-CD 4.24Å |
| 220 | Y | 91 | Very high | 75.7 | Confident | 103 Ų | 103 | 45.8 Ų | 45.8 | 40% | 0.404 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 142.2 | 175.1 | 176.3 | -97.7 | 0 | 0 | 0 | 109 | F14 I16 V218 | F14-Y220 HydrophobicContact CD1-CE1 4.47Å; I16-Y220 HydrophobicContact CD1-CD1 4.12Å; I16-Y220 HydrophobicContact CG1-CD1 4.25Å; I16-Y220 PolarHBondContact N-O 3.13Å; I16-Y220 PolarHBondContact O-N 3.34Å; V218-Y220 WeakPolarHBondContact CG1-O 3.33Å |
| 221 | W | 89.2 | Confident | 73 | Confident | 114 Ų | 114 | 50.8 Ų | 50.8 | 43% | 0.432 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 151 | 167.9 | 60.1 | -76 | 0 | 0 | 0 | 110.1 | Y13 F14 V15 V218 R223 I287 | Y13-W221 HydrophobicContact CD1-CE3 4.38Å; F14-W221 CarbonylContact O-C 3.24Å; F14-W221 WeakPolarHBondContact O-CA 3.44Å; V15-W221 HydrophobicContact CG1-CB 4.37Å; V15-W221 HydrophobicContact CG2-CB 4.49Å; V218-W221 HydrophobicContact CG1-CB 3.81Å; V218-W221 HydrophobicContact CG1-CG 4.09Å; W221-R223 HydrophobicContact CE3-CB 4.15Å; W221-R223 HydrophobicContact CZ3-CB 3.79Å; W221-I287 HydrophobicContact CB-CG1 4.24Å; W221-I287 HydrophobicContact CD2-CG1 4.34Å; W221-I287 HydrophobicContact CD2-CG2 4.45Å; W221-I287 HydrophobicContact CE3-CG1 4.49Å; W221-I287 HydrophobicContact CG-CG1 4.22Å |
| 222 | Y | 86.8 | Confident | 70.1 | Confident | 74 Ų | 74 | 56.2 Ų | 56.2 | 29% | 0.29 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 109.1 | 177.1 | -174.6 | -97.4 | 0 | 0 | 0 | 108.9 | Y13 F14 L443 F444 | Y13-Y222 CarbonylContact C-O 3.55Å; Y13-Y222 WeakPolarHBondContact CA-O 3.49Å; F14-Y222 PolarHBondContact N-O 3.43Å; F14-Y222 PolarHBondContact O-N 3.4Å; Y222-L443 HydrophobicContact CD1-CD1 4.19Å; Y222-F444 AromaticContact CE1-CE2 3.7Å; Y222-F444 HydrophobicContact CE1-CE2 3.7Å; Y222-F444 AromaticContact CE1-CZ 3.67Å; Y222-F444 HydrophobicContact CE1-CZ 3.67Å; Y222-F444 AromaticContact CZ-CE2 3.94Å; Y222-F444 AromaticContact CZ-CZ 3.91Å; Y222-F444 VanDerWaalsContact OH-CE2 3.32Å; Y222-F444 WeakPolarHBondContact OH-CE2 3.35Å; Y222-F444 VanDerWaalsContact OH-CZ 3.23Å; Y222-F444 WeakPolarHBondContact OH-CZ 3.38Å |
| 223 | R | 84.4 | Confident | 67.1 | Low | 69 Ų | 69 | 62.6 Ų | 62.6 | 26% | 0.26 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 128.1 | 170 | 177.6 | 179.9 | -163.7 | 154 | 18.1 | 109.1 | Y13 W221 P225 D284 | Y13-R223 HydrophobicContact CD1-CB 3.74Å; Y13-R223 HydrophobicContact CD1-CG 4.01Å; Y13-R223 HydrophobicContact CE1-CB 3.74Å; Y13-R223 HydrophobicContact CE1-CG 3.58Å; Y13-R223 PolarHBondContact OH-NH2 3.42Å; W221-R223 HydrophobicContact CE3-CB 4.15Å; W221-R223 HydrophobicContact CZ3-CB 3.79Å; R223-P225 WeakPolarHBondContact O-CD 3.42Å; R223-D284 IonicContact CZ-OD1 3.33Å; R223-D284 IonicContact CZ-OD2 3.19Å; R223-D284 VanDerWaalsContact NH1-CG 3.25Å; R223-D284 IonicContact NH1-OD1 4Å; R223-D284 PolarHBondContact NH1-OD1 3.29Å; R223-D284 IonicContact NH1-OD2 3.36Å; R223-D284 PolarHBondContact NH1-OD2 3.14Å; R223-D284 VanDerWaalsContact NH2-CG 3.28Å; R223-D284 IonicContact NH2-OD1 2.85Å; R223-D284 PolarHBondContact NH2-OD1 3.22Å; R223-D284 IonicContact NH2-OD2 3.95Å; R223-D284 PolarHBondContact NH2-OD2 3.45Å |
| 224 | V | 77.4 | Confident | 64 | Low | 3 Ų | 3 | 68.4 Ų | 68.4 | 2% | 0.018 | 36% | 0.355 | C | S | . | . | trans | -67.3 | 112.4 | 167.7 | -175 | 0 | 0 | 0 | 0 | 107 | R9 E12 L443 F444 | R9-V224 VanDerWaalsContact NH1-CG1 3.33Å; R9-V224 PolarHBondContact NH1-O 3.34Å; E12-V224 PolarHBondContact O-N 2.88Å; V224-L443 HydrophobicContact CG2-CB 4.11Å; V224-L443 HydrophobicContact CG2-CD1 3.85Å; V224-L443 HydrophobicContact CG2-CD2 4.33Å; V224-L443 HydrophobicContact CG2-CG 4.33Å; V224-F444 HydrophobicContact CG1-CD1 4.2Å; V224-F444 HydrophobicContact CG1-CE1 3.52Å; V224-F444 HydrophobicContact CG1-CZ 4.05Å | ||
| 225 | P | 66.7 | Low | 60.9 | Low | 64 Ų | 64 | 71.4 Ų | 71.4 | 42% | 0.416 | 38% | 0.378 | S | S | . | . | trans | -52.3 | 142.3 | -170.5 | -30.8 | 37.9 | 0 | 0 | 0 | 113.4 | R9 R223 | R9-P225 VanDerWaalsContact CZ-O 3.25Å; R9-P225 PolarHBondContact NH1-O 3.49Å; R9-P225 PolarHBondContact NH2-O 3.43Å; R223-P225 WeakPolarHBondContact O-CD 3.42Å | ||
| 226 | S | 52.3 | Low | 58 | Low | 18 Ų | 18 | 72.1 Ų | 72.1 | 13% | 0.126 | 38% | 0.384 | C | S | . | . | trans | -75.1 | 152.2 | 177.7 | 42.1 | 0 | 0 | 0 | 0 | 112.3 | V246 V247 P248 | S226-V246 CarbonylContact C-O 3.59Å; S226-V246 CarbonylContact O-C 3.44Å; S226-V246 VanDerWaalsContact O-O 3.06Å; S226-V247 CarbonylContact C-O 3.5Å; S226-V247 WeakPolarHBondContact CB-O 3.39Å; S226-V247 PolarHBondContact OG-O 2.79Å; S226-P248 WeakPolarHBondContact OG-CD 3.21Å | ||
| 227 | V | 48 | Very low | 54.9 | Low | 3 Ų | 3 | 76.8 Ų | 76.8 | 2% | 0.018 | 41% | 0.409 | C | S | . | . | trans | -166.2 | 120.6 | -157.3 | -70.2 | 0 | 0 | 0 | 0 | 111 | L6 P7 R9 S245 V246 | L6-V227 WeakPolarHBondContact CD2-O 3.49Å; L6-V227 VanDerWaalsContact CG-O 3.27Å; L6-V227 WeakPolarHBondContact CG-O 3.37Å; P7-V227 WeakPolarHBondContact CD-O 3.43Å; P7-V227 HydrophobicContact CG-CG2 3.71Å; R9-V227 VanDerWaalsContact NH2-CG2 3.28Å; V227-S245 WeakPolarHBondContact CG1-O 3.43Å; V227-V246 VanDerWaalsContact CA-O 3.3Å; V227-V246 WeakPolarHBondContact CA-O 3.22Å | ||
| 228 | D | 34.2 | Very low | 51.8 | Low | 39 Ų | 39 | 79.7 Ų | 79.7 | 21% | 0.209 | 43% | 0.426 | C | S | . | . | B | Isolated β-bridge | cis | 122.3 | 58.4 | -37.4 | 30.1 | 81.3 | 0 | 0 | 0 | 114.4 | L6 N230 S245 V246 V247 | L6-D228 WeakPolarHBondContact CG-OD1 3.41Å; D228-N230 VanDerWaalsContact C-N 3.29Å; D228-N230 PolarHBondContact O-N 3.27Å; D228-S245 PolarHBondContact N-OG 3.16Å; D228-S245 WeakPolarHBondContact O-CB 3.37Å; D228-V246 CarbonylContact C-O 3.4Å; D228-V246 VanDerWaalsContact CA-O 3.24Å; D228-V246 WeakPolarHBondContact CA-O 3.12Å; D228-V246 PolarHBondContact O-N 3.16Å; D228-V247 HydrophobicContact CB-CG2 4.33Å |
| 229 | Y | 35.1 | Very low | 48.6 | Very low | 133 Ų | 133 | 86.8 Ų | 86.8 | 52% | 0.522 | 46% | 0.455 | S | S | . | . | trans | -82.5 | 20.9 | -170.4 | -93 | -56.8 | 0 | 0 | 0 | 116.2 | Y243 S245 | Y229-Y243 PolarHBondContact OH-O 3.28Å; Y229-S245 VanDerWaalsContact CD1-CB 3.48Å; Y229-S245 WeakPolarHBondContact CD2-OG 3.45Å; Y229-S245 WeakPolarHBondContact CE2-OG 3.43Å; Y229-S245 VanDerWaalsContact CG-CB 3.47Å | ||
| 230 | N | 27.7 | Very low | 45.5 | Very low | 103 Ų | 103 | 88.2 Ų | 88.2 | 55% | 0.551 | 47% | 0.467 | S | S | * | . | trans | -110.4 | 64.1 | -167.1 | -54.6 | -49.2 | 0 | 0 | 0 | 114.1 | Q4 D228 | Q4-N230 PolarHBondContact NE2-OD1 3.33Å; Q4-N230 PolarHBondContact OE1-ND2 2.94Å; Q4-N230 PolarHBondContact OE1-OD1 3.04Å; D228-N230 VanDerWaalsContact C-N 3.29Å; D228-N230 PolarHBondContact O-N 3.27Å | ||
| 231 | C | 27.1 | Very low | 42.4 | Very low | 111 Ų | 111 | 86.4 Ų | 86.4 | 75% | 0.75 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -85.1 | 152.2 | 140.8 | -82.7 | 0 | 0 | 0 | 0 | 108.7 | ||
| 232 | S | 25.4 | Very low | 39.4 | Very low | 117 Ų | 117 | 86.1 Ų | 86.1 | 82% | 0.818 | 47% | 0.472 | S | S | * | . | trans | -60.5 | 156.6 | -173 | -55.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 233 | N | 24.9 | Very low | 36.6 | Very low | 142 Ų | 142 | 86.3 Ų | 86.3 | 76% | 0.759 | 47% | 0.472 | S | S | * | . | trans | -43.9 | 147.4 | 161.8 | -69.2 | -34.6 | 0 | 0 | 0 | 110.8 | ||||
| 234 | P | 23.8 | Very low | 33.8 | Very low | 129 Ų | 129 | 85.6 Ų | 85.6 | 84% | 0.838 | 48% | 0.478 | S | S | * | . | -85.6 | 149.5 | 60.6 | 24.7 | -35.1 | 0 | 0 | 0 | 115.1 | |||||
| 235 | S | 24 | Very low | 31.3 | Very low | 80 Ų | 80 | 86.1 Ų | 86.1 | 56% | 0.559 | 48% | 0.482 | S | S | * | . | trans | -65.2 | 134.1 | 173.1 | 38.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 236 | I | 28.9 | Very low | 29.3 | Very low | 81 Ų | 81 | 87.4 Ų | 87.4 | 42% | 0.415 | 49% | 0.488 | S | S | . | . | trans | 49.3 | 130.1 | 132.9 | -32.7 | 153.9 | 0 | 0 | 0 | 116.7 | K1107 D1111 | I236-K1107 HydrophobicContact CD1-CD 4.23Å; I236-D1111 WeakPolarHBondContact CG2-OD1 3.44Å; I236-D1111 WeakPolarHBondContact CG2-OD2 3.32Å | ||
| 237 | N | 27.9 | Very low | 28.1 | Very low | 101 Ų | 101 | 89.6 Ų | 89.6 | 54% | 0.54 | 50% | 0.501 | S | S | . | . | cis | -141.9 | -177.9 | 7.3 | -132.4 | -15.7 | 0 | 0 | 0 | 107.9 | D1111 | N237-D1111 HydrophobicContact CB-CB 4Å; N237-D1111 VanDerWaalsContact ND2-CG 3.33Å; N237-D1111 PolarHBondContact ND2-OD2 2.88Å | ||
| 238 | N | 26.7 | Very low | 27.2 | Very low | 100 Ų | 100 | 93.6 Ų | 93.6 | 54% | 0.535 | 53% | 0.527 | S | S | . | . | cis | -168 | 151.7 | 31.9 | -141.2 | -43.7 | 0 | 0 | 0 | 111.5 | ||||
| 239 | K | 26.4 | Very low | 26.7 | Very low | 166 Ų | 166 | 98.8 Ų | 98.8 | 72% | 0.722 | 56% | 0.555 | S | S | * | * | trans | 70.1 | 144.5 | 163.7 | -57.9 | 170.2 | -178.6 | 161.6 | 0 | 120.4 | ||||
| 240 | T | 28.5 | Very low | 26.7 | Very low | 102 Ų | 102 | 98.2 Ų | 98.2 | 63% | 0.626 | 56% | 0.561 | S | S | * | * | trans | 74.4 | 156.3 | 162.8 | 64.1 | 0 | 0 | 0 | 0 | 116.4 | L1019 | T240-L1019 HydrophobicContact CG2-CB 4.25Å; T240-L1019 HydrophobicContact CG2-CD1 3.74Å; T240-L1019 HydrophobicContact CG2-CG 4.46Å | ||
| 241 | P | 24.8 | Very low | 26.6 | Very low | 66 Ų | 66 | 99.7 Ų | 99.7 | 43% | 0.429 | 58% | 0.575 | S | S | . | * | -118.7 | -167.7 | -128 | 47.3 | -43.3 | 0 | 0 | 0 | 116.8 | Y243 L1019 | P241-Y243 PolarHBondContact O-N 3.03Å; P241-L1019 HydrophobicContact CB-CD2 3.26Å; P241-L1019 HydrophobicContact CG-CD1 4.24Å; P241-L1019 HydrophobicContact CG-CD2 3.3Å; P241-L1019 HydrophobicContact CG-CG 4.39Å | |||
| 242 | Q | 27.1 | Very low | 26.7 | Very low | 108 Ų | 108 | 98.5 Ų | 98.5 | 51% | 0.505 | 57% | 0.568 | S | S | . | * | trans | 19.6 | 96.1 | 131.1 | -61.4 | 159.7 | -45.4 | 0 | 0 | 112.7 | ||||
| 243 | Y | 26.5 | Very low | 26.8 | Very low | 77 Ų | 77 | 97.5 Ų | 97.5 | 30% | 0.302 | 56% | 0.562 | S | S | . | * | -149.9 | 178.4 | 59.2 | -120.6 | -99.8 | 0 | 0 | 0 | 112.7 | Y229 P241 F444 I446 P447 | Y229-Y243 PolarHBondContact OH-O 3.28Å; P241-Y243 PolarHBondContact O-N 3.03Å; Y243-F444 WeakPolarHBondContact CE1-O 3.44Å; Y243-I446 PolarHBondContact OH-O 2.85Å; Y243-P447 VanDerWaalsContact OH-CA 3.28Å; Y243-P447 WeakPolarHBondContact OH-CA 3.46Å | |||
| 244 | S | 27.2 | Very low | 26.9 | Very low | 55 Ų | 55 | 98 Ų | 98 | 39% | 0.385 | 56% | 0.564 | S | S | . | * | trans | 47.6 | 91.2 | 144.7 | -168.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 245 | S | 23.4 | Very low | 27.7 | Very low | 13 Ų | 13 | 97.7 Ų | 97.7 | 9% | 0.091 | 56% | 0.562 | C | S | . | * | trans | -61.6 | -144.2 | 163.4 | -21.6 | 0 | 0 | 0 | 0 | 113.2 | V227 D228 Y229 | V227-S245 WeakPolarHBondContact CG1-O 3.43Å; D228-S245 PolarHBondContact N-OG 3.16Å; D228-S245 WeakPolarHBondContact O-CB 3.37Å; Y229-S245 VanDerWaalsContact CD1-CB 3.48Å; Y229-S245 WeakPolarHBondContact CD2-OG 3.45Å; Y229-S245 WeakPolarHBondContact CE2-OG 3.43Å; Y229-S245 VanDerWaalsContact CG-CB 3.47Å | ||
| 246 | V | 25.9 | Very low | 27.8 | Very low | 91 Ų | 91 | 97.5 Ų | 97.5 | 55% | 0.552 | 56% | 0.559 | S | S | * | * | B | Isolated β-bridge | trans | -145.8 | -164.4 | 174.3 | 112.7 | 0 | 0 | 0 | 0 | 111.9 | S226 V227 D228 | S226-V246 CarbonylContact C-O 3.59Å; S226-V246 CarbonylContact O-C 3.44Å; S226-V246 VanDerWaalsContact O-O 3.06Å; V227-V246 VanDerWaalsContact CA-O 3.3Å; V227-V246 WeakPolarHBondContact CA-O 3.22Å; D228-V246 CarbonylContact C-O 3.4Å; D228-V246 VanDerWaalsContact CA-O 3.24Å; D228-V246 WeakPolarHBondContact CA-O 3.12Å; D228-V246 PolarHBondContact O-N 3.16Å |
| 247 | V | 26.6 | Very low | 27.7 | Very low | 65 Ų | 65 | 98.9 Ų | 98.9 | 39% | 0.394 | 56% | 0.564 | S | S | . | * | trans | 66.1 | 141.8 | -179.9 | -73.7 | 0 | 0 | 0 | 0 | 119 | S226 D228 | S226-V247 CarbonylContact C-O 3.5Å; S226-V247 WeakPolarHBondContact CB-O 3.39Å; S226-V247 PolarHBondContact OG-O 2.79Å; D228-V247 HydrophobicContact CB-CG2 4.33Å | ||
| 248 | P | 28.1 | Very low | 27.5 | Very low | 86 Ų | 86 | 97.8 Ų | 97.8 | 56% | 0.558 | 56% | 0.556 | S | S | * | * | cis | -112.5 | 113.1 | -6.7 | 20.6 | 0.8 | 0 | 0 | 0 | 113.3 | S226 | S226-P248 WeakPolarHBondContact OG-CD 3.21Š| ||
| 249 | N | 25.5 | Very low | 27.4 | Very low | 149 Ų | 149 | 95.9 Ų | 95.9 | 80% | 0.797 | 55% | 0.55 | S | S | * | * | -66.8 | 132.3 | 114.9 | -67.4 | -7.9 | 0 | 0 | 0 | 104.6 | |||||
| 250 | N | 34.7 | Very low | 27.3 | Very low | 121 Ų | 121 | 92.4 Ų | 92.4 | 65% | 0.647 | 54% | 0.539 | S | S | * | . | cis | -124.4 | 168.1 | 31.6 | -66.4 | -30.6 | 0 | 0 | 0 | 111 | ||||
| 251 | P | 24.7 | Very low | 27.1 | Very low | 133 Ų | 133 | 93.9 Ų | 93.9 | 86% | 0.864 | 54% | 0.539 | S | S | * | . | -98.7 | 141.5 | 61.9 | -16.5 | 33.2 | 0 | 0 | 0 | 115.6 | |||||
| 252 | S | 28.8 | Very low | 27 | Very low | 86 Ų | 86 | 95.3 Ų | 95.3 | 60% | 0.601 | 54% | 0.543 | S | S | * | . | trans | -89 | 167.7 | 148.5 | 53 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 253 | S | 27.6 | Very low | 26.9 | Very low | 97 Ų | 97 | 95.3 Ų | 95.3 | 68% | 0.678 | 55% | 0.547 | S | S | * | . | S | Bend | trans | 69.3 | 115 | -178 | 33.6 | 0 | 0 | 0 | 0 | 117.2 | ||
| 254 | D | 28.9 | Very low | 26.7 | Very low | 152 Ų | 152 | 102.1 Ų | 102.1 | 81% | 0.813 | 58% | 0.577 | S | S | * | * | trans | 80.6 | 174.1 | 144.9 | -45.8 | -21.7 | 0 | 0 | 0 | 117.6 | ||||
| 255 | P | 38.7 | Very low | 26.7 | Very low | 122 Ų | 122 | 103.4 Ų | 103.4 | 79% | 0.792 | 60% | 0.599 | S | S | * | * | -103.3 | -179.6 | -108.6 | 0.6 | 24.1 | 0 | 0 | 0 | 114.3 | |||||
| 256 | P | 26.7 | Very low | 26.9 | Very low | 77 Ų | 77 | 110.5 Ų | 110.5 | 50% | 0.5 | 63% | 0.633 | S | S | . | * | cis | -128.3 | 170.3 | 20.7 | 35.5 | -13.5 | 0 | 0 | 0 | 115.2 | ||||
| 257 | E | 27 | Very low | 27 | Very low | 110 Ų | 110 | 111.6 Ų | 111.6 | 51% | 0.514 | 64% | 0.636 | S | S | . | * | 25.9 | 97.4 | 93.8 | -159.7 | -179.3 | -106.3 | 0 | 0 | 113.9 | D260 Q261 | E257-D260 VanDerWaalsContact O-O 3.11Å; E257-Q261 PolarHBondContact OE2-NE2 3.21Å | |||
| 258 | M | 24.5 | Very low | 27.1 | Very low | 77 Ų | 77 | 113.5 Ų | 113.5 | 38% | 0.379 | 64% | 0.644 | S | S | . | * | trans | -172.5 | 154.6 | 166 | -110.7 | -156.4 | 87.7 | 0 | 0 | 113.7 | D260 L262 | M258-D260 WeakPolarHBondContact CA-O 3.25Å; M258-D260 WeakPolarHBondContact CG-O 3.44Å; M258-L262 HydrophobicContact CE-CB 4.16Å; M258-L262 HydrophobicContact SD-CB 3.31Å; M258-L262 WeakPolarHBondContact SD-CB 3.33Å; M258-L262 HydrophobicContact SD-CD1 3.53Å; M258-L262 VanDerWaalsContact SD-CD1 3.53Å; M258-L262 HydrophobicContact SD-CG 3.32Å; M258-L262 WeakPolarHBondContact SD-CG 3.47Å; M258-L262 PolarHBondContact SD-N 3.45Å; M258-L262 VanDerWaalsContact SD-N 3.36Å | ||
| 259 | C | 23.3 | Very low | 27.2 | Very low | 60 Ų | 60 | 113.5 Ų | 113.5 | 41% | 0.405 | 64% | 0.635 | S | S | . | * | S | Bend | cis | -47.6 | 155.3 | -5.5 | -64.8 | 0 | 0 | 0 | 0 | 113.6 | ||
| 260 | D | 24.4 | Very low | 27.5 | Very low | 93 Ų | 93 | 110.3 Ų | 110.3 | 50% | 0.497 | 62% | 0.621 | S | S | . | * | S | Bend | trans | 73.9 | 117.9 | -160.2 | -51.8 | -19.8 | 0 | 0 | 0 | 112.5 | N22 E257 M258 | N22-D260 VanDerWaalsContact ND2-CG 3.26Å; N22-D260 PolarHBondContact ND2-OD1 2.89Å; N22-D260 PolarHBondContact ND2-OD2 2.88Å; E257-D260 VanDerWaalsContact O-O 3.11Å; M258-D260 WeakPolarHBondContact CA-O 3.25Å; M258-D260 WeakPolarHBondContact CG-O 3.44Å |
| 261 | Q | 24.8 | Very low | 27.1 | Very low | 133 Ų | 133 | 107.7 Ų | 107.7 | 62% | 0.621 | 61% | 0.612 | S | S | * | * | trans | 96.7 | 34.4 | 178.5 | -49.5 | -139.6 | 74.4 | 0 | 0 | 121.9 | E257 | E257-Q261 PolarHBondContact OE2-NE2 3.21Š| ||
| 262 | L | 23.3 | Very low | 27.1 | Very low | 97 Ų | 97 | 103.3 Ų | 103.3 | 51% | 0.508 | 58% | 0.584 | S | S | . | * | trans | -115.7 | 45.6 | 150.1 | -84.7 | 174.3 | 0 | 0 | 0 | 113 | M258 F288 | M258-L262 HydrophobicContact CE-CB 4.16Å; M258-L262 HydrophobicContact SD-CB 3.31Å; M258-L262 WeakPolarHBondContact SD-CB 3.33Å; M258-L262 HydrophobicContact SD-CD1 3.53Å; M258-L262 VanDerWaalsContact SD-CD1 3.53Å; M258-L262 HydrophobicContact SD-CG 3.32Å; M258-L262 WeakPolarHBondContact SD-CG 3.47Å; M258-L262 PolarHBondContact SD-N 3.45Å; M258-L262 VanDerWaalsContact SD-N 3.36Å; L262-F288 HydrophobicContact CD1-CD2 4.31Å; L262-F288 HydrophobicContact CD1-CE2 3.81Å; L262-F288 HydrophobicContact CD1-CZ 4.04Å | ||
| 263 | N | 24.3 | Very low | 27 | Very low | 108 Ų | 108 | 102.7 Ų | 102.7 | 58% | 0.578 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -143.3 | 120.4 | 165 | -72.3 | -94 | 0 | 0 | 0 | 109.2 | K215 | K215-N263 PolarHBondContact NZ-OD1 3.16Š|
| 264 | K | 23.5 | Very low | 26.8 | Very low | 219 Ų | 219 | 105.6 Ų | 105.6 | 95% | 0.952 | 58% | 0.575 | S | S | * | * | trans | 81.9 | 139.9 | -163.2 | -50.3 | 156.3 | -174.7 | 172.9 | 0 | 112.1 | ||||
| 265 | G | 27 | Very low | 26.8 | Very low | 82 Ų | 82 | 102.9 Ų | 102.9 | 85% | 0.845 | 57% | 0.568 | S | S | * | * | cis | -144.3 | -172.3 | 5.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 266 | M | 26 | Very low | 26.6 | Very low | 162 Ų | 162 | 102.1 Ų | 102.1 | 80% | 0.798 | 56% | 0.563 | S | S | * | * | trans | -113.8 | 153.9 | -163.5 | -121.3 | 156.5 | 148 | 0 | 0 | 113.3 | ||||
| 267 | D | 28.3 | Very low | 26.7 | Very low | 115 Ų | 115 | 106.7 Ų | 106.7 | 62% | 0.615 | 58% | 0.577 | S | S | * | * | trans | 81.7 | 129.1 | 149.6 | -58 | -26.9 | 0 | 0 | 0 | 123.8 | ||||
| 268 | D | 29.6 | Very low | 26.8 | Very low | 105 Ų | 105 | 106.5 Ų | 106.5 | 56% | 0.561 | 59% | 0.588 | S | S | * | * | trans | 101.5 | 81.2 | 138.5 | -79.5 | 33.7 | 0 | 0 | 0 | 125.8 | ||||
| 269 | K | 28.8 | Very low | 27.1 | Very low | 86 Ų | 86 | 111.9 Ų | 111.9 | 37% | 0.374 | 61% | 0.613 | S | S | . | * | 55.6 | 143.7 | 111.8 | -61 | -172.1 | -160 | 90.9 | 0 | 120.5 | P1656 S1657 L1658 | K269-P1656 WeakPolarHBondContact CE-O 3.37Å; K269-S1657 WeakPolarHBondContact CE-O 3.16Å; K269-L1658 HydrophobicContact CB-CD1 4.4Å; K269-L1658 HydrophobicContact CD-CB 3.87Å; K269-L1658 HydrophobicContact CD-CD1 3.57Å; K269-L1658 HydrophobicContact CD-CG 3.48Å; K269-L1658 VanDerWaalsContact CD-CG 3.48Å | |||
| 270 | T | 31.9 | Very low | 27.8 | Very low | 81 Ų | 81 | 114.6 Ų | 114.6 | 50% | 0.497 | 63% | 0.627 | S | S | . | * | cis | -175.4 | 170.8 | -10.8 | 32.8 | 0 | 0 | 0 | 0 | 109.6 | R1248 L1658 | T270-R1248 PolarHBondContact OG1-NH2 3.39Å; T270-L1658 HydrophobicContact CG2-CB 4.48Å | ||
| 271 | C | 26.5 | Very low | 28.3 | Very low | 67 Ų | 67 | 113.8 Ų | 113.8 | 45% | 0.453 | 63% | 0.633 | S | S | . | * | trans | 130 | 124.9 | 134.2 | -168.3 | 0 | 0 | 0 | 0 | 114.2 | H1246 | C271-H1246 VanDerWaalsContact SG-CE1 3.53Š| ||
| 272 | S | 25.5 | Very low | 29.2 | Very low | 40 Ų | 40 | 111.3 Ų | 111.3 | 28% | 0.28 | 63% | 0.628 | S | S | . | * | cis | -159.1 | -160.9 | -15.8 | 61.4 | 0 | 0 | 0 | 0 | 109.7 | H1246 | S272-H1246 PolarHBondContact OG-ND1 3.08Š| ||
| 273 | D | 25.6 | Very low | 30.6 | Very low | 73 Ų | 73 | 107.5 Ų | 107.5 | 39% | 0.39 | 61% | 0.608 | S | S | . | * | trans | 73.3 | 161.5 | 175.5 | -47.6 | 13.7 | 0 | 0 | 0 | 112.5 | H1244 N1245 H1246 | D273-H1244 IonicContact OD2-CE1 3.19Å; D273-H1244 IonicContact OD2-ND1 2.73Å; D273-H1244 PolarHBondContact OD2-ND1 2.93Å; D273-N1245 WeakPolarHBondContact OD2-CA 3.23Å; D273-H1246 PolarHBondContact OD1-N 3.17Å; D273-H1246 IonicContact OD1-ND1 3.72Å; D273-H1246 PolarHBondContact OD2-N 3.14Å | ||
| 274 | F | 23.8 | Very low | 32.4 | Very low | 158 Ų | 158 | 106.3 Ų | 106.3 | 69% | 0.693 | 60% | 0.602 | S | S | * | * | cis | -137.5 | 171.2 | -1.1 | -169.3 | 42.1 | 0 | 0 | 0 | 112.4 | H1244 | F274-H1244 VanDerWaalsContact CB-CE1 3.47Å; F274-H1244 WeakPolarHBondContact CB-CE1 3.46Å; F274-H1244 AromaticContact CD1-CE1 3.52Å; F274-H1244 AromaticContact CD2-CE1 3.72Å; F274-H1244 AromaticContact CD2-NE2 3.51Å; F274-H1244 AromaticContact CG-CE1 3.28Å; F274-H1244 WeakPolarHBondContact CG-CE1 3.43Å; F274-H1244 AromaticContact CG-NE2 3.54Å | ||
| 275 | S | 29.3 | Very low | 34.4 | Very low | 95 Ų | 95 | 97.3 Ų | 97.3 | 66% | 0.664 | 57% | 0.566 | S | S | * | * | trans | -172 | 158.2 | 177.9 | -91.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 276 | P | 35.2 | Very low | 36.7 | Very low | 106 Ų | 106 | 97.2 Ų | 97.2 | 69% | 0.688 | 55% | 0.546 | S | S | * | . | cis | -123.6 | -170.5 | 33.4 | 41.2 | -24.1 | 0 | 0 | 0 | 112.9 | ||||
| 277 | E | 28.5 | Very low | 39.3 | Very low | 173 Ų | 173 | 90.2 Ų | 90.2 | 81% | 0.808 | 51% | 0.512 | S | S | * | . | cis | -159.7 | 140.7 | 23 | -158.6 | 161.8 | -112.1 | 0 | 0 | 113.8 | ||||
| 278 | S | 28.1 | Very low | 41.9 | Very low | 107 Ų | 107 | 89.2 Ų | 89.2 | 75% | 0.748 | 50% | 0.502 | S | S | * | . | trans | 46 | 90.7 | 160.6 | -159.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 279 | Q | 32.4 | Very low | 44.5 | Very low | 190 Ų | 190 | 88.5 Ų | 88.5 | 89% | 0.888 | 50% | 0.495 | S | S | * | . | trans | -125.1 | 145.6 | 156.6 | -69.3 | -173.9 | -0.6 | 0 | 0 | 110.5 | A281 | Q279-A281 PolarHBondContact O-N 3.41Š| ||
| 280 | V | 37.6 | Very low | 47.5 | Very low | 117 Ų | 117 | 84.4 Ų | 84.4 | 71% | 0.709 | 48% | 0.478 | S | S | * | . | trans | -82 | 112 | 170.1 | 179 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 281 | A | 35.3 | Very low | 50.4 | Low | 75 Ų | 75 | 80.5 Ų | 80.5 | 62% | 0.62 | 45% | 0.454 | S | S | * | . | trans | -58.7 | 145.6 | -178 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q279 | Q279-A281 PolarHBondContact O-N 3.41Š| ||
| 282 | P | 43.5 | Very low | 53.4 | Low | 81 Ų | 81 | 78.3 Ų | 78.3 | 53% | 0.526 | 44% | 0.438 | S | S | . | . | trans | -58.4 | 145.1 | 172.3 | -23.3 | 33.9 | 0 | 0 | 0 | 112.3 | D284 | P282-D284 PolarHBondContact O-N 2.74Š| ||
| 283 | L | 51.5 | Low | 56.5 | Low | 17 Ų | 17 | 77.6 Ų | 77.6 | 9% | 0.089 | 43% | 0.429 | C | S | . | . | trans | -75 | 76.3 | 163.3 | -88.9 | 145.2 | 0 | 0 | 0 | 109.2 | Y13 P285 N322 Q326 R406 | Y13-L283 WeakPolarHBondContact CE2-O 3.37Å; Y13-L283 PolarHBondContact OH-O 2.72Å; L283-P285 WeakPolarHBondContact O-CD 3.48Å; L283-N322 HydrophobicContact CD2-CB 4.18Å; L283-N322 VanDerWaalsContact CD2-ND2 3.34Å; L283-N322 WeakPolarHBondContact CD2-ND2 3.44Å; L283-Q326 HydrophobicContact CD1-CB 4.17Å; L283-Q326 HydrophobicContact CD2-CB 4.37Å; L283-R406 HydrophobicContact CD1-CG 3.8Å | ||
| 284 | D | 61.7 | Low | 59.7 | Low | 84 Ų | 84 | 74.1 Ų | 74.1 | 45% | 0.449 | 41% | 0.411 | S | S | . | . | trans | -87.3 | 97.4 | 155.3 | -80.9 | -69.9 | 0 | 0 | 0 | 107.8 | Y13 R223 P282 | Y13-D284 PolarHBondContact OH-OD1 2.63Å; Y13-D284 VanDerWaalsContact OH-OD1 3.11Å; R223-D284 IonicContact CZ-OD1 3.33Å; R223-D284 IonicContact CZ-OD2 3.19Å; R223-D284 VanDerWaalsContact NH1-CG 3.25Å; R223-D284 IonicContact NH1-OD1 4Å; R223-D284 PolarHBondContact NH1-OD1 3.29Å; R223-D284 IonicContact NH1-OD2 3.36Å; R223-D284 PolarHBondContact NH1-OD2 3.14Å; R223-D284 VanDerWaalsContact NH2-CG 3.28Å; R223-D284 IonicContact NH2-OD1 2.85Å; R223-D284 PolarHBondContact NH2-OD1 3.22Å; R223-D284 IonicContact NH2-OD2 3.95Å; R223-D284 PolarHBondContact NH2-OD2 3.45Å; P282-D284 PolarHBondContact O-N 2.74Å | ||
| 285 | P | 66.1 | Low | 62.9 | Low | 30 Ų | 30 | 66.9 Ų | 66.9 | 20% | 0.195 | 38% | 0.38 | C | S | . | . | trans | -64.7 | 161.3 | 159.5 | 32.7 | -36 | 0 | 0 | 0 | 108.9 | Y13 L283 I287 L320 L328 L404 | Y13-P285 HydrophobicContact CE2-CG 4.48Å; L283-P285 WeakPolarHBondContact O-CD 3.48Å; P285-I287 VanDerWaalsContact C-N 3.3Å; P285-I287 PolarHBondContact O-N 3.13Å; P285-L320 HydrophobicContact CB-CD1 4.14Å; P285-L328 HydrophobicContact CG-CD2 3.83Å; P285-L404 HydrophobicContact CG-CD1 4.46Å | ||
| 286 | D | 76.3 | Confident | 65.4 | Low | 80 Ų | 80 | 62.8 Ų | 62.8 | 43% | 0.428 | 35% | 0.351 | S | S | . | . | trans | -61.6 | 98.9 | 160.2 | 178.9 | -10.3 | 0 | 0 | 0 | 108.1 | F288 Q289 | D286-F288 PolarHBondContact O-N 3.26Å; D286-F288 WeakPolarHBondContact OD1-CB 3.46Å; D286-F288 PolarHBondContact OD1-N 2.93Å; D286-F288 VanDerWaalsContact OD1-N 3.11Å; D286-Q289 HydrophobicContact CB-CB 4.36Å; D286-Q289 HydrophobicContact CB-CG 4.18Å; D286-Q289 PolarHBondContact O-N 2.66Å; D286-Q289 WeakPolarHBondContact OD2-CG 3.33Å; D286-Q289 PolarHBondContact OD2-NE2 3Å | ||
| 287 | I | 80.8 | Confident | 67.4 | Low | 15 Ų | 15 | 58.8 Ų | 58.8 | 8% | 0.077 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -62.2 | -29.4 | -171.8 | -159.6 | 74.7 | 0 | 0 | 0 | 110.8 | Y13 V15 V218 W221 P285 Q289 V290 L404 | Y13-I287 HydrophobicContact CD1-CD1 3.9Å; Y13-I287 HydrophobicContact CE1-CD1 4.42Å; Y13-I287 HydrophobicContact CG-CD1 3.99Å; V15-I287 HydrophobicContact CG2-CD1 4.04Å; V218-I287 VanDerWaalsContact CG2-O 3.22Å; V218-I287 WeakPolarHBondContact CG2-O 3.4Å; W221-I287 HydrophobicContact CB-CG1 4.24Å; W221-I287 HydrophobicContact CD2-CG1 4.34Å; W221-I287 HydrophobicContact CD2-CG2 4.45Å; W221-I287 HydrophobicContact CE3-CG1 4.49Å; W221-I287 HydrophobicContact CG-CG1 4.22Å; P285-I287 VanDerWaalsContact C-N 3.3Å; P285-I287 PolarHBondContact O-N 3.13Å; I287-Q289 VanDerWaalsContact C-N 3.32Å; I287-Q289 PolarHBondContact O-N 3.19Å; I287-V290 HydrophobicContact CD1-CG2 4.2Å; I287-V290 WeakPolarHBondContact O-CB 3.29Å; I287-V290 VanDerWaalsContact O-CG2 3.25Å; I287-V290 WeakPolarHBondContact O-CG2 3.49Å; I287-V290 PolarHBondContact O-N 3.4Å; I287-L404 HydrophobicContact CD1-CD1 3.93Å |
| 288 | F | 81.5 | Confident | 70.1 | Confident | 93 Ų | 93 | 50.6 Ų | 50.6 | 41% | 0.408 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -69.8 | -29.8 | 178.8 | -56.5 | -76.4 | 0 | 0 | 0 | 112.1 | L262 D286 V290 A291 | L262-F288 HydrophobicContact CD1-CD2 4.31Å; L262-F288 HydrophobicContact CD1-CE2 3.81Å; L262-F288 HydrophobicContact CD1-CZ 4.04Å; D286-F288 PolarHBondContact O-N 3.26Å; D286-F288 WeakPolarHBondContact OD1-CB 3.46Å; D286-F288 PolarHBondContact OD1-N 2.93Å; D286-F288 VanDerWaalsContact OD1-N 3.11Å; F288-V290 VanDerWaalsContact C-N 3.25Å; F288-V290 PolarHBondContact O-N 3.38Å; F288-A291 PolarHBondContact O-N 2.89Å |
| 289 | Q | 84.7 | Confident | 73.2 | Confident | 90 Ų | 90 | 45.5 Ų | 45.5 | 42% | 0.421 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -69.2 | -22 | 174.1 | -73 | -177.2 | 55.1 | 0 | 0 | 113.4 | D286 I287 A291 N292 | D286-Q289 HydrophobicContact CB-CB 4.36Å; D286-Q289 HydrophobicContact CB-CG 4.18Å; D286-Q289 PolarHBondContact O-N 2.66Å; D286-Q289 WeakPolarHBondContact OD2-CG 3.33Å; D286-Q289 PolarHBondContact OD2-NE2 3Å; I287-Q289 VanDerWaalsContact C-N 3.32Å; I287-Q289 PolarHBondContact O-N 3.19Å; Q289-A291 PolarHBondContact O-N 2.67Å; Q289-N292 WeakPolarHBondContact O-CB 3.49Å; Q289-N292 PolarHBondContact O-N 3.21Å |
| 290 | V | 91.2 | Very high | 76 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.8 | -32.2 | 176.6 | -176.4 | 0 | 0 | 0 | 0 | 111.4 | I287 F288 N292 F293 C294 F318 L320 L404 | I287-V290 HydrophobicContact CD1-CG2 4.2Å; I287-V290 WeakPolarHBondContact O-CB 3.29Å; I287-V290 VanDerWaalsContact O-CG2 3.25Å; I287-V290 WeakPolarHBondContact O-CG2 3.49Å; I287-V290 PolarHBondContact O-N 3.4Å; F288-V290 VanDerWaalsContact C-N 3.25Å; F288-V290 PolarHBondContact O-N 3.38Å; V290-N292 VanDerWaalsContact C-N 3.26Å; V290-N292 PolarHBondContact O-N 3.07Å; V290-F293 PolarHBondContact O-N 2.83Å; V290-F293 VanDerWaalsContact O-N 3.1Å; V290-C294 PolarHBondContact O-N 2.81Å; V290-C294 PolarHBondContact O-SG 2.88Å; V290-C294 VanDerWaalsContact O-SG 3.39Å; V290-F318 HydrophobicContact CG1-CE2 4.29Å; V290-F318 HydrophobicContact CG1-CZ 3.8Å; V290-L320 HydrophobicContact CG2-CD1 4.14Å; V290-L404 HydrophobicContact CG1-CD1 4.21Å; V290-L404 HydrophobicContact CG1-CD2 4.06Å; V290-L404 HydrophobicContact CG2-CD1 3.91Å |
| 291 | A | 92.7 | Very high | 78.6 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.2 | -32.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | C17 P216 V218 F288 Q289 F293 C294 L295 | C17-A291 HydrophobicContact CB-CB 4.13Å; C17-A291 VanDerWaalsContact SG-CA 3.6Å; P216-A291 HydrophobicContact CB-CB 4.14Å; P216-A291 HydrophobicContact CG-CB 4.36Å; V218-A291 HydrophobicContact CG2-CB 4.1Å; F288-A291 PolarHBondContact O-N 2.89Å; Q289-A291 PolarHBondContact O-N 2.67Å; A291-F293 VanDerWaalsContact C-N 3.34Å; A291-C294 PolarHBondContact O-N 2.77Å; A291-L295 PolarHBondContact O-N 3.43Å |
| 292 | N | 90.2 | Very high | 81.3 | Confident | 21 Ų | 21 | 27.6 Ų | 27.6 | 11% | 0.112 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -73.2 | -25.1 | 176.8 | -61.6 | -70.8 | 0 | 0 | 0 | 113.2 | Q289 V290 L295 P296 Y543 | Q289-N292 WeakPolarHBondContact O-CB 3.49Å; Q289-N292 PolarHBondContact O-N 3.21Å; V290-N292 VanDerWaalsContact C-N 3.26Å; V290-N292 PolarHBondContact O-N 3.07Å; N292-L295 CarbonylContact O-C 3.53Å; N292-P296 WeakPolarHBondContact O-CA 3.4Å; N292-Y543 HydrophobicContact CB-CD1 4.22Å; N292-Y543 HydrophobicContact CB-CD2 3.66Å; N292-Y543 HydrophobicContact CB-CE1 4.18Å; N292-Y543 HydrophobicContact CB-CE2 3.6Å; N292-Y543 HydrophobicContact CB-CG 3.98Å; N292-Y543 VanDerWaalsContact O-CB 3.25Å; N292-Y543 WeakPolarHBondContact O-CB 3.33Å |
| 293 | F | 91.2 | Very high | 83.6 | Confident | 24 Ų | 24 | 23.8 Ų | 23.8 | 11% | 0.105 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -82.6 | -41.5 | 170.8 | -71.7 | -92.3 | 0 | 0 | 0 | 110.9 | V290 A291 L295 P296 F318 L320 Y541 Y543 | V290-F293 PolarHBondContact O-N 2.83Å; V290-F293 VanDerWaalsContact O-N 3.1Å; A291-F293 VanDerWaalsContact C-N 3.34Å; F293-L295 PolarHBondContact O-N 3.02Å; F293-P296 WeakPolarHBondContact O-CD 3.36Å; F293-F318 HydrophobicContact CB-CD1 4.12Å; F293-F318 HydrophobicContact CB-CD2 3.76Å; F293-F318 HydrophobicContact CB-CE1 4.18Å; F293-F318 HydrophobicContact CB-CE2 3.83Å; F293-F318 HydrophobicContact CB-CG 3.91Å; F293-F318 HydrophobicContact CB-CZ 4.05Å; F293-F318 HydrophobicContact CD1-CB 4.31Å; F293-F318 HydrophobicContact CD1-CD2 4.18Å; F293-F318 HydrophobicContact CD1-CG 4.38Å; F293-F318 HydrophobicContact CG-CD2 4.06Å; F293-F318 HydrophobicContact CG-CE2 4.36Å; F293-F318 HydrophobicContact CG-CG 4.45Å; F293-L320 HydrophobicContact CD1-CD2 4.24Å; F293-L320 HydrophobicContact CD2-CD2 3.67Å; F293-L320 HydrophobicContact CE1-CD2 4.07Å; F293-L320 HydrophobicContact CE2-CD2 3.48Å; F293-L320 VanDerWaalsContact CE2-CD2 3.48Å; F293-L320 HydrophobicContact CG-CD2 4.04Å; F293-L320 HydrophobicContact CZ-CD2 3.69Å; F293-Y541 PolarHBondContact O-OH 3.27Å; F293-Y543 HydrophobicContact CD1-CD1 4.33Å; F293-Y543 HydrophobicContact CD2-CD1 4.08Å; F293-Y543 HydrophobicContact CD2-CE1 4.29Å; F293-Y543 HydrophobicContact CE1-CD1 4.02Å; F293-Y543 AromaticContact CE2-CD1 3.73Å; F293-Y543 HydrophobicContact CE2-CD1 3.73Å; F293-Y543 AromaticContact CE2-CE1 3.66Å; F293-Y543 HydrophobicContact CE2-CE1 3.66Å; F293-Y543 HydrophobicContact CG-CD1 4.38Å; F293-Y543 AromaticContact CZ-CD1 3.71Å; F293-Y543 HydrophobicContact CZ-CD1 3.71Å; F293-Y543 AromaticContact CZ-CE1 3.86Å; F293-Y543 HydrophobicContact CZ-CE1 3.86Å |
| 294 | C | 92.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60 | -35.3 | 174.2 | -70.3 | 0 | 0 | 0 | 0 | 112.9 | C17 V290 A291 T334 T400 | C17-C294 HydrophobicContact CB-CB 3.71Å; C17-C294 VanDerWaalsContact SG-SG 3.64Å; V290-C294 PolarHBondContact O-N 2.81Å; V290-C294 PolarHBondContact O-SG 2.88Å; V290-C294 VanDerWaalsContact O-SG 3.39Å; A291-C294 PolarHBondContact O-N 2.77Å; C294-T334 PolarHBondContact O-OG1 2.87Å; C294-T400 HydrophobicContact CB-CG2 3.69Å; C294-T400 PolarHBondContact O-OG1 2.9Å |
| 295 | L | 91 | Very high | 86.9 | Confident | 7 Ų | 7 | 19.9 Ų | 19.9 | 4% | 0.037 | 10% | 0.101 | C | C | . | . | trans | -133.2 | 75.6 | -178.1 | -66.7 | 169.7 | 0 | 0 | 0 | 110.4 | C17 P216 A291 N292 F293 W297 G298 A299 T334 T400 | C17-L295 HydrophobicContact CB-CD1 4.29Å; P216-L295 HydrophobicContact CB-CB 3.83Å; P216-L295 HydrophobicContact CB-CD1 3.95Å; P216-L295 HydrophobicContact CG-CB 4.27Å; A291-L295 PolarHBondContact O-N 3.43Å; N292-L295 CarbonylContact O-C 3.53Å; F293-L295 PolarHBondContact O-N 3.02Å; L295-W297 PolarHBondContact O-N 2.79Å; L295-G298 PolarHBondContact O-N 3.5Å; L295-A299 HydrophobicContact CD1-CB 3.97Å; L295-T334 HydrophobicContact CD2-CG2 3.89Å; L295-T400 VanDerWaalsContact CD2-OG1 3.32Å; L295-T400 WeakPolarHBondContact CD2-OG1 3.41Å | ||
| 296 | P | 81.7 | Confident | 88.1 | Confident | 9 Ų | 9 | 18.8 Ų | 18.8 | 6% | 0.058 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | 4.4 | -172.1 | 29.2 | -32.1 | 0 | 0 | 0 | 114.7 | N292 F293 Y541 | N292-P296 WeakPolarHBondContact O-CA 3.4Å; F293-P296 WeakPolarHBondContact O-CD 3.36Å; P296-Y541 HydrophobicContact CB-CE2 4.26Å; P296-Y541 HydrophobicContact CG-CE2 4.1Å |
| 297 | W | 77.4 | Confident | 88.7 | Confident | 21 Ų | 21 | 18.2 Ų | 18.2 | 8% | 0.08 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | 11.8 | 176 | -74.1 | 83.8 | 0 | 0 | 0 | 112.6 | F47 F50 S213 L295 D561 R563 F564 F567 | F47-W297 AromaticContact CD1-CE3 3.99Å; F47-W297 HydrophobicContact CD1-CE3 3.99Å; F47-W297 AromaticContact CD1-CZ3 3.87Å; F47-W297 HydrophobicContact CD1-CZ3 3.87Å; F47-W297 HydrophobicContact CE1-CE3 4.14Å; F47-W297 AromaticContact CE1-CZ3 3.87Å; F47-W297 HydrophobicContact CE1-CZ3 3.87Å; F50-W297 HydrophobicContact CE1-CZ3 4.26Å; F50-W297 HydrophobicContact CZ-CE3 4.24Å; F50-W297 AromaticContact CZ-CZ3 3.93Å; F50-W297 HydrophobicContact CZ-CZ3 3.93Å; S213-W297 VanDerWaalsContact CB-O 3.23Å; S213-W297 WeakPolarHBondContact CB-O 3.48Å; S213-W297 PolarHBondContact OG-O 2.78Å; L295-W297 PolarHBondContact O-N 2.79Å; W297-D561 HydrophobicContact CZ2-CB 3.87Å; W297-D561 PolarHBondContact NE1-OD2 3.05Å; W297-R563 VanDerWaalsContact CD1-NH2 3.33Å; W297-R563 HydrophobicContact CH2-CB 3.35Å; W297-R563 HydrophobicContact CZ2-CB 3.5Å; W297-R563 VanDerWaalsContact CZ2-CB 3.5Å; W297-R563 HydrophobicContact CZ2-CG 4.49Å; W297-R563 HydrophobicContact CZ3-CB 4.42Å; W297-F564 HydrophobicContact CD2-CE1 4.37Å; W297-F564 AromaticContact CE2-CE1 3.54Å; W297-F564 AromaticContact CH2-CD1 3.62Å; W297-F564 HydrophobicContact CH2-CD1 3.62Å; W297-F564 AromaticContact CH2-CE1 3.96Å; W297-F564 HydrophobicContact CH2-CE1 3.96Å; W297-F564 AromaticContact CZ2-CD1 3.28Å; W297-F564 HydrophobicContact CZ2-CD1 3.28Å; W297-F564 AromaticContact CZ2-CE1 3.28Å; W297-F564 HydrophobicContact CZ2-CE1 3.28Å; W297-F564 HydrophobicContact CZ2-CG 4.41Å; W297-F564 HydrophobicContact CZ2-CZ 4.41Å; W297-F564 AromaticContact NE1-CE1 3.84Å; W297-F567 AromaticContact CH2-CE2 3.87Å; W297-F567 HydrophobicContact CH2-CE2 3.87Å; W297-F567 AromaticContact CZ3-CE2 3.79Å; W297-F567 HydrophobicContact CZ3-CE2 3.79Å; W297-F567 HydrophobicContact CZ3-CZ 4.35Å |
| 298 | G | 85.6 | Confident | 89.1 | Confident | 2 Ų | 2 | 18.9 Ų | 18.9 | 2% | 0.021 | 9% | 0.093 | C | C | . | . | trans | 75.6 | 171.1 | -162.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y214 L295 | Y214-G298 CarbonylContact O-C 3.55Å; Y214-G298 WeakPolarHBondContact O-CA 3.36Å; L295-G298 PolarHBondContact O-N 3.5Å | ||
| 299 | A | 91.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 119.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | G18 L19 Y214 P216 L295 T398 | G18-A299 VanDerWaalsContact C-CB 3.48Å; L19-A299 HydrophobicContact CB-CB 4.12Å; L19-A299 HydrophobicContact CD1-CB 4.21Å; Y214-A299 PolarHBondContact N-O 2.82Å; Y214-A299 PolarHBondContact O-N 2.97Å; P216-A299 HydrophobicContact CB-CB 4.19Å; L295-A299 HydrophobicContact CD1-CB 3.97Å; A299-T398 WeakPolarHBondContact CA-OG1 3.18Å |
| 300 | S | 90.9 | Very high | 89.5 | Confident | 5 Ų | 5 | 14 Ų | 14 | 4% | 0.035 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 138.1 | -176.9 | 50.9 | 0 | 0 | 0 | 0 | 112.8 | I212 E302 V397 T398 | I212-S300 VanDerWaalsContact O-CA 3.3Å; I212-S300 WeakPolarHBondContact O-CA 3.42Å; S300-E302 WeakPolarHBondContact CB-OE1 3.43Å; S300-E302 PolarHBondContact OG-OE1 3.03Å; S300-V397 WeakPolarHBondContact O-CA 3.44Å; S300-T398 PolarHBondContact N-OG1 2.91Å; S300-T398 PolarHBondContact O-N 3.07Å; S300-T398 PolarHBondContact O-OG1 3.3Å; S300-T398 WeakPolarHBondContact OG-CG2 3.4Å |
| 301 | I | 93 | Very high | 89.3 | Confident | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 132.3 | 155.7 | -52.8 | 171.4 | 0 | 0 | 0 | 106.4 | L19 I211 I212 Y214 Y339 L351 G396 V397 | L19-I301 HydrophobicContact CD2-CD1 3.96Å; L19-I301 HydrophobicContact CD2-CG1 3.98Å; I211-I301 CarbonylContact C-O 3.1Å; I211-I301 WeakPolarHBondContact CA-O 3.44Å; I212-I301 PolarHBondContact N-O 3.07Å; I212-I301 PolarHBondContact O-N 3.42Å; Y214-I301 HydrophobicContact CE2-CD1 3.7Å; Y214-I301 HydrophobicContact CE2-CG1 4Å; I301-Y339 HydrophobicContact CD1-CD1 4.44Å; I301-Y339 HydrophobicContact CD1-CD2 4.31Å; I301-Y339 HydrophobicContact CD1-CE1 3.89Å; I301-Y339 HydrophobicContact CD1-CE2 3.76Å; I301-Y339 HydrophobicContact CG1-CD2 4.36Å; I301-Y339 HydrophobicContact CG1-CE2 4.24Å; I301-Y339 HydrophobicContact CG2-CD1 3.94Å; I301-Y339 HydrophobicContact CG2-CE1 4.34Å; I301-Y339 HydrophobicContact CG2-CG 4.05Å; I301-L351 HydrophobicContact CB-CD1 4.49Å; I301-L351 HydrophobicContact CB-CD2 4.46Å; I301-L351 HydrophobicContact CG2-CD1 3.71Å; I301-L351 HydrophobicContact CG2-CD2 4.02Å; I301-G396 CarbonylContact C-O 3.57Å; I301-G396 WeakPolarHBondContact CA-O 3.31Å; I301-V397 HydrophobicContact CG1-CG2 4.31Å |
| 302 | E | 92.1 | Very high | 88.9 | Confident | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 153.6 | -175.7 | -66.1 | -176.5 | -148.2 | 0 | 0 | 111.8 | I159 K208 C210 I211 S300 L395 G396 | I159-E302 HydrophobicContact CD1-CB 4.34Å; I159-E302 WeakPolarHBondContact CD1-OE2 3.38Å; K208-E302 VanDerWaalsContact CD-OE2 3.22Å; K208-E302 WeakPolarHBondContact CD-OE2 3.3Å; K208-E302 WeakPolarHBondContact CE-OE2 3.48Å; K208-E302 IonicContact NZ-OE1 3.25Å; K208-E302 PolarHBondContact NZ-OE1 3.11Å; K208-E302 IonicContact NZ-OE2 2.69Å; K208-E302 PolarHBondContact NZ-OE2 3.42Å; C210-E302 CarbonylContact O-C 3.55Å; C210-E302 VanDerWaalsContact O-CA 3.24Å; C210-E302 WeakPolarHBondContact O-CA 3.39Å; I211-E302 HydrophobicContact CB-CG 3.94Å; I211-E302 HydrophobicContact CD1-CG 3.95Å; I211-E302 WeakPolarHBondContact CD1-OE1 3.44Å; I211-E302 HydrophobicContact CG1-CG 3.72Å; S300-E302 WeakPolarHBondContact CB-OE1 3.43Å; S300-E302 PolarHBondContact OG-OE1 3.03Å; E302-L395 WeakPolarHBondContact O-CA 3.4Å; E302-G396 PolarHBondContact N-O 2.95Å; E302-G396 PolarHBondContact O-N 3.2Å |
| 303 | S | 92 | Very high | 88.8 | Confident | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.007 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 148.8 | 171.6 | 96.4 | 0 | 0 | 0 | 0 | 113.2 | C210 L351 I394 | C210-S303 WeakPolarHBondContact CB-OG 3.45Å; C210-S303 PolarHBondContact O-N 3.39Å; S303-L351 WeakPolarHBondContact CB-O 3.3Å; S303-L351 PolarHBondContact OG-O 2.88Å; S303-I394 WeakPolarHBondContact CA-O 3.14Å; S303-I394 WeakPolarHBondContact CB-O 3.22Å |
| 304 | W | 91.8 | Very high | 88.6 | Confident | 1 Ų | 1 | 18.4 Ų | 18.4 | 0% | 0.004 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 160.9 | 173.6 | 57.4 | 96 | 0 | 0 | 0 | 110.3 | I159 P310 P311 F385 R393 I394 | I159-W304 HydrophobicContact CD1-CB 4.4Å; I159-W304 HydrophobicContact CD1-CE3 3.89Å; I159-W304 HydrophobicContact CG2-CB 3.72Å; W304-P310 HydrophobicContact CZ2-CB 4.23Å; W304-P311 HydrophobicContact CE3-CG 4.26Å; W304-P311 HydrophobicContact CH2-CG 4.22Å; W304-P311 HydrophobicContact CZ3-CG 4.02Å; W304-F385 AromaticContact CH2-CD1 3.88Å; W304-F385 HydrophobicContact CH2-CD1 3.88Å; W304-F385 AromaticContact CH2-CE1 3.87Å; W304-F385 HydrophobicContact CH2-CE1 3.87Å; W304-F385 HydrophobicContact CH2-CG 4.3Å; W304-F385 HydrophobicContact CH2-CZ 4.28Å; W304-F385 HydrophobicContact CZ2-CB 4.23Å; W304-F385 AromaticContact CZ2-CD1 3.85Å; W304-F385 HydrophobicContact CZ2-CD1 3.85Å; W304-F385 HydrophobicContact CZ2-CD2 4.04Å; W304-F385 HydrophobicContact CZ2-CE1 4.17Å; W304-F385 HydrophobicContact CZ2-CE2 4.33Å; W304-F385 AromaticContact CZ2-CG 3.79Å; W304-F385 HydrophobicContact CZ2-CG 3.79Å; W304-F385 HydrophobicContact CZ2-CZ 4.4Å; W304-R393 WeakPolarHBondContact O-CA 3.48Å; W304-I394 HydrophobicContact CD2-CB 4.28Å; W304-I394 HydrophobicContact CD2-CG2 4.23Å; W304-I394 VanDerWaalsContact CE2-CG2 3.44Å; W304-I394 HydrophobicContact CG-CB 4.37Å; W304-I394 HydrophobicContact CH2-CG2 4.24Å; W304-I394 HydrophobicContact CZ2-CB 4.36Å; W304-I394 HydrophobicContact CZ2-CG2 3.46Å; W304-I394 VanDerWaalsContact CZ2-CG2 3.46Å; W304-I394 PolarHBondContact N-O 3.32Å; W304-I394 VanDerWaalsContact N-O 3.12Å; W304-I394 PolarHBondContact O-N 3.2Å |
| 305 | S | 90.9 | Very high | 88.4 | Confident | 18 Ų | 18 | 18.7 Ų | 18.7 | 13% | 0.126 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 147.1 | 175.2 | -177.6 | 0 | 0 | 0 | 0 | 111 | N307 Q308 D392 | S305-N307 PolarHBondContact O-N 3.3Å; S305-Q308 WeakPolarHBondContact O-CB 3.36Å; S305-Q308 PolarHBondContact O-N 3.43Å; S305-D392 CarbonylContact C-O 3.5Å; S305-D392 VanDerWaalsContact CA-O 3.3Å; S305-D392 WeakPolarHBondContact CA-O 3.42Å |
| 306 | V | 91.3 | Very high | 88.5 | Confident | 7 Ų | 7 | 18.7 Ų | 18.7 | 4% | 0.042 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -24.1 | 171.3 | -70.4 | 0 | 0 | 0 | 0 | 114 | I378 Q382 R389 D392 I394 | V306-I378 HydrophobicContact CB-CD1 4.32Å; V306-I378 HydrophobicContact CB-CG1 4.32Å; V306-I378 HydrophobicContact CB-CG2 3.9Å; V306-I378 HydrophobicContact CG1-CG2 4.13Å; V306-I378 HydrophobicContact CG2-CD1 4.11Å; V306-Q382 PolarHBondContact O-NE2 2.91Å; V306-R389 HydrophobicContact CG1-CG 4.25Å; V306-D392 PolarHBondContact N-O 3.01Å; V306-I394 HydrophobicContact CG1-CD1 3.97Å; V306-I394 HydrophobicContact CG1-CG1 3.9Å |
| 307 | N | 89 | Confident | 88.9 | Confident | 68 Ų | 68 | 19 Ų | 19 | 36% | 0.364 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -19.7 | 178.2 | -64.7 | -54.9 | 0 | 0 | 0 | 114.1 | V155 E156 S305 R381 | V155-N307 HydrophobicContact CG1-CB 4.36Å; E156-N307 WeakPolarHBondContact CA-O 3.35Å; S305-N307 PolarHBondContact O-N 3.3Å; N307-R381 PolarHBondContact O-NE 3.2Å |
| 308 | Q | 88.9 | Confident | 89.7 | Confident | 28 Ų | 28 | 18 Ų | 18 | 13% | 0.131 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -87.8 | 145.7 | -179.5 | -63.3 | 178.7 | -90.9 | 0 | 0 | 111 | S157 S305 R381 Q382 | S157-Q308 PolarHBondContact O-NE2 2.95Å; S305-Q308 WeakPolarHBondContact O-CB 3.36Å; S305-Q308 PolarHBondContact O-N 3.43Å; Q308-R381 WeakPolarHBondContact O-CD 3.33Å; Q308-Q382 PolarHBondContact O-NE2 3.08Å |
| 309 | D | 87.5 | Confident | 89.9 | Confident | 59 Ų | 59 | 18.7 Ų | 18.7 | 32% | 0.316 | 10% | 0.1 | S | C | . | . | P | Polyproline II helix | trans | -64.1 | 141.3 | 170.6 | -66.7 | -27.5 | 0 | 0 | 0 | 110.7 | E156 S158 R381 | E156-D309 PolarHBondContact O-N 3.1Å; S158-D309 WeakPolarHBondContact CA-O 3.43Å; S158-D309 WeakPolarHBondContact CB-O 3.08Å; S158-D309 PolarHBondContact OG-O 3.03Å; D309-R381 WeakPolarHBondContact OD1-CD 3.33Å; D309-R381 WeakPolarHBondContact OD1-CG 3.4Å; D309-R381 IonicContact OD1-CZ 2.77Å; D309-R381 IonicContact OD1-NE 2.78Å; D309-R381 IonicContact OD1-NH1 3.53Å; D309-R381 PolarHBondContact OD1-NH1 3.22Å |
| 310 | P | 87.6 | Confident | 89.8 | Confident | 21 Ų | 21 | 20 Ų | 20 | 14% | 0.136 | 11% | 0.107 | C | C | . | . | P | Polyproline II helix | trans | -57 | 155.7 | 173.2 | -23.5 | 32 | 0 | 0 | 0 | 112.6 | S158 W304 F385 | S158-P310 PolarHBondContact OG-O 3.49Å; W304-P310 HydrophobicContact CZ2-CB 4.23Å; P310-F385 HydrophobicContact CB-CD2 3.85Å; P310-F385 HydrophobicContact CB-CE2 3.77Å; P310-F385 HydrophobicContact CG-CD2 4.03Å; P310-F385 HydrophobicContact CG-CE2 4.4Å |
| 311 | P | 86.4 | Confident | 89.6 | Confident | 3 Ų | 3 | 23.2 Ų | 23.2 | 2% | 0.019 | 13% | 0.127 | C | C | . | . | P | Polyproline II helix | trans | -54.9 | 147.7 | 176.2 | -26.4 | 35 | 0 | 0 | 0 | 114.5 | S158 I159 W304 Y336 N638 | S158-P311 WeakPolarHBondContact OG-CA 3.34Å; I159-P311 HydrophobicContact CD1-CG 4.13Å; I159-P311 HydrophobicContact CG1-CG 4.02Å; W304-P311 HydrophobicContact CE3-CG 4.26Å; W304-P311 HydrophobicContact CH2-CG 4.22Å; W304-P311 HydrophobicContact CZ3-CG 4.02Å; P311-Y336 HydrophobicContact CB-CD2 3.56Å; P311-Y336 HydrophobicContact CB-CE2 3.28Å; P311-Y336 HydrophobicContact CB-CG 4.42Å; P311-Y336 HydrophobicContact CG-CD2 3.92Å; P311-Y336 HydrophobicContact CG-CE1 4.41Å; P311-Y336 HydrophobicContact CG-CE2 3.82Å; P311-Y336 HydrophobicContact CG-CG 4.3Å; P311-N638 PolarHBondContact O-ND2 2.9Å |
| 312 | E | 83.8 | Confident | 88.8 | Confident | 81 Ų | 81 | 25.9 Ų | 25.9 | 38% | 0.379 | 14% | 0.141 | S | C | . | . | P | Polyproline II helix | trans | -76.3 | 146.6 | 170.6 | -66.3 | -147.5 | 135.4 | 0 | 0 | 112.3 | D160 N314 P636 R637 N638 | D160-E312 PolarHBondContact OD2-N 3.44Å; E312-N314 PolarHBondContact O-N 2.82Å; E312-P636 WeakPolarHBondContact OE1-CA 3.45Å; E312-R637 PolarHBondContact OE1-N 3.21Å; E312-N638 WeakPolarHBondContact CA-OD1 3.46Å |
| 313 | V | 87.6 | Confident | 88 | Confident | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.024 | 18% | 0.176 | C | C | . | . | P | Polyproline II helix | trans | -74.7 | 121.3 | 173.9 | -180 | 0 | 0 | 0 | 0 | 110.2 | L333 T334 F335 Y421 N638 | V313-L333 HydrophobicContact CG1-CD1 3.38Å; V313-L333 HydrophobicContact CG1-CD2 4.05Å; V313-L333 HydrophobicContact CG1-CG 3.53Å; V313-T334 WeakPolarHBondContact CA-O 3.41Å; V313-T334 WeakPolarHBondContact CG1-O 3.31Å; V313-F335 HydrophobicContact CG1-CB 4.25Å; V313-F335 HydrophobicContact CG2-CB 4Å; V313-Y421 HydrophobicContact CG2-CD1 4.28Å; V313-Y421 HydrophobicContact CG2-CE1 3.55Å; V313-Y421 HydrophobicContact CG2-CE2 4.16Å; V313-Y421 VanDerWaalsContact CG2-CZ 3.47Å; V313-Y421 WeakPolarHBondContact CG2-OH 3.33Å; V313-N638 WeakPolarHBondContact CG2-OD1 3.48Å; V313-N638 PolarHBondContact N-OD1 3.2Å |
| 314 | N | 87.2 | Confident | 87.1 | Confident | 50 Ų | 50 | 36.4 Ų | 36.4 | 27% | 0.267 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 119 | -176.8 | 179.5 | 25.9 | 0 | 0 | 0 | 111 | E312 F316 T334 | E312-N314 PolarHBondContact O-N 2.82Å; N314-F316 WeakPolarHBondContact ND2-CD1 3.42Å; N314-T334 PolarHBondContact N-O 2.93Å; N314-T334 PolarHBondContact O-N 3.15Å |
| 315 | S | 89.8 | Confident | 86.3 | Confident | 7 Ų | 7 | 45.3 Ų | 45.3 | 5% | 0.049 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 137.5 | 170.1 | -170.8 | 0 | 0 | 0 | 0 | 111.3 | A332 S414 S516 | S315-A332 VanDerWaalsContact CA-O 3.27Å; S315-A332 WeakPolarHBondContact CA-O 3.5Å; S315-A332 PolarHBondContact OG-O 3.35Å; S315-S414 WeakPolarHBondContact CB-OG 3.43Å; S315-S414 PolarHBondContact OG-OG 2.82Å; S315-S516 VanDerWaalsContact O-CB 3.25Å; S315-S516 WeakPolarHBondContact O-CB 3.5Å; S315-S516 PolarHBondContact O-OG 3.14Å |
| 316 | F | 91.6 | Very high | 85.6 | Confident | 7 Ų | 7 | 47.9 Ų | 47.9 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 162 | 179.6 | 55.7 | -89.6 | 0 | 0 | 0 | 111.6 | N314 F318 A332 T334 H515 Y541 | N314-F316 WeakPolarHBondContact ND2-CD1 3.42Å; F316-F318 HydrophobicContact CE2-CD1 4.31Å; F316-A332 HydrophobicContact CD2-CB 4.03Å; F316-A332 HydrophobicContact CE1-CB 4.31Å; F316-A332 HydrophobicContact CE2-CB 3.63Å; F316-A332 HydrophobicContact CZ-CB 3.8Å; F316-A332 PolarHBondContact N-O 3.06Å; F316-A332 VanDerWaalsContact N-O 3.07Å; F316-A332 PolarHBondContact O-N 3.33Å; F316-T334 WeakPolarHBondContact CE1-OG1 3.4Å; F316-H515 HydrophobicContact CB-CB 3.83Å; F316-H515 HydrophobicContact CD1-CB 4.12Å; F316-H515 HydrophobicContact CD2-CB 4.44Å; F316-H515 HydrophobicContact CG-CB 3.89Å; F316-Y541 AromaticContact CD2-CE1 3.77Å; F316-Y541 HydrophobicContact CD2-CE1 3.77Å; F316-Y541 HydrophobicContact CE2-CE1 4.17Å; F316-Y541 AromaticContact CE2-CZ 3.94Å; F316-Y541 WeakPolarHBondContact CE2-OH 2.98Å |
| 317 | T | 91.7 | Very high | 85.3 | Confident | 15 Ų | 15 | 50.8 Ų | 50.8 | 9% | 0.092 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 135.4 | 174.5 | -55.7 | 0 | 0 | 0 | 0 | 110.4 | G330 V331 T410 S519 | T317-G330 CarbonylContact C-O 3.55Å; T317-G330 VanDerWaalsContact CA-O 3.29Å; T317-G330 WeakPolarHBondContact CA-O 3.47Å; T317-V331 HydrophobicContact CG2-CG2 4.17Å; T317-T410 WeakPolarHBondContact OG1-CG2 3.46Å; T317-T410 PolarHBondContact OG1-OG1 3.42Å; T317-T410 VanDerWaalsContact OG1-OG1 3.06Å; T317-S519 VanDerWaalsContact O-CB 3.3Å; T317-S519 WeakPolarHBondContact O-CB 3.44Å; T317-S519 PolarHBondContact O-OG 3.41Å |
| 318 | F | 93 | Very high | 85.3 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 0% | 0.004 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 174.3 | 166.1 | 59.3 | -88.1 | 0 | 0 | 0 | 111.5 | V290 F293 F316 L320 Y329 G330 A332 L404 Y541 | V290-F318 HydrophobicContact CG1-CE2 4.29Å; V290-F318 HydrophobicContact CG1-CZ 3.8Å; F293-F318 HydrophobicContact CB-CD1 4.12Å; F293-F318 HydrophobicContact CB-CD2 3.76Å; F293-F318 HydrophobicContact CB-CE1 4.18Å; F293-F318 HydrophobicContact CB-CE2 3.83Å; F293-F318 HydrophobicContact CB-CG 3.91Å; F293-F318 HydrophobicContact CB-CZ 4.05Å; F293-F318 HydrophobicContact CD1-CB 4.31Å; F293-F318 HydrophobicContact CD1-CD2 4.18Å; F293-F318 HydrophobicContact CD1-CG 4.38Å; F293-F318 HydrophobicContact CG-CD2 4.06Å; F293-F318 HydrophobicContact CG-CE2 4.36Å; F293-F318 HydrophobicContact CG-CG 4.45Å; F316-F318 HydrophobicContact CE2-CD1 4.31Å; F318-L320 HydrophobicContact CD2-CD2 4.05Å; F318-L320 HydrophobicContact CD2-CG 4.16Å; F318-L320 HydrophobicContact CE2-CD1 4.32Å; F318-L320 HydrophobicContact CE2-CD2 4.18Å; F318-L320 HydrophobicContact CE2-CG 4.06Å; F318-Y329 WeakPolarHBondContact O-CA 3.45Å; F318-G330 WeakPolarHBondContact CD1-O 3.37Å; F318-G330 WeakPolarHBondContact CE1-O 3.27Å; F318-G330 PolarHBondContact N-O 3.33Å; F318-G330 PolarHBondContact O-N 2.94Å; F318-A332 HydrophobicContact CE1-CB 4.2Å; F318-L404 HydrophobicContact CE2-CD2 3.99Å; F318-L404 HydrophobicContact CZ-CD2 3.81Å; F318-Y541 HydrophobicContact CB-CE1 3.7Å; F318-Y541 WeakPolarHBondContact CB-OH 3.43Å |
| 319 | M | 90.7 | Very high | 85.4 | Confident | 15 Ų | 15 | 48 Ų | 48 | 7% | 0.074 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 124.8 | 178.2 | -176.9 | -178 | -61.2 | 0 | 0 | 109.2 | K327 L328 Y329 Y538 P540 | M319-K327 HydrophobicContact CE-CD 3.98Å; M319-K327 HydrophobicContact CG-CB 4.15Å; M319-K327 HydrophobicContact CG-CG 4.24Å; M319-K327 HydrophobicContact SD-CB 4.09Å; M319-K327 HydrophobicContact SD-CD 3.51Å; M319-K327 VanDerWaalsContact SD-CD 3.51Å; M319-K327 HydrophobicContact SD-CG 3.63Å; M319-L328 WeakPolarHBondContact CA-O 3.43Å; M319-Y329 HydrophobicContact CE-CD1 3.98Å; M319-Y329 HydrophobicContact CE-CE1 3.42Å; M319-Y329 VanDerWaalsContact CE-CE1 3.42Å; M319-Y538 HydrophobicContact CE-CD1 3.99Å; M319-Y538 HydrophobicContact CE-CE1 3.64Å; M319-Y538 HydrophobicContact SD-CD1 3.83Å; M319-Y538 HydrophobicContact SD-CE1 4.09Å; M319-P540 HydrophobicContact CB-CG 3.7Å; M319-P540 HydrophobicContact CE-CG 4.48Å |
| 320 | L | 89.4 | Confident | 85.7 | Confident | 28 Ų | 28 | 45.2 Ų | 45.2 | 15% | 0.147 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 143.1 | 164.6 | -51.2 | -179.2 | 0 | 0 | 0 | 108 | P285 V290 F293 F318 K327 L328 | P285-L320 HydrophobicContact CB-CD1 4.14Å; V290-L320 HydrophobicContact CG2-CD1 4.14Å; F293-L320 HydrophobicContact CD1-CD2 4.24Å; F293-L320 HydrophobicContact CD2-CD2 3.67Å; F293-L320 HydrophobicContact CE1-CD2 4.07Å; F293-L320 HydrophobicContact CE2-CD2 3.48Å; F293-L320 VanDerWaalsContact CE2-CD2 3.48Å; F293-L320 HydrophobicContact CG-CD2 4.04Å; F293-L320 HydrophobicContact CZ-CD2 3.69Å; F318-L320 HydrophobicContact CD2-CD2 4.05Å; F318-L320 HydrophobicContact CD2-CG 4.16Å; F318-L320 HydrophobicContact CE2-CD1 4.32Å; F318-L320 HydrophobicContact CE2-CD2 4.18Å; F318-L320 HydrophobicContact CE2-CG 4.06Å; L320-K327 WeakPolarHBondContact O-CA 3.34Å; L320-L328 HydrophobicContact CB-CB 4.38Å; L320-L328 PolarHBondContact N-O 3.47Å; L320-L328 PolarHBondContact O-N 3.17Å |
| 321 | T | 85.6 | Confident | 86 | Confident | 73 Ų | 73 | 44.2 Ų | 44.2 | 45% | 0.448 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 128.9 | 176.2 | -54.3 | 0 | 0 | 0 | 0 | 108.6 | Q326 | T321-Q326 WeakPolarHBondContact CA-O 3.34Å |
| 322 | N | 77.8 | Confident | 86.4 | Confident | 56 Ų | 56 | 44.1 Ų | 44.1 | 30% | 0.299 | 22% | 0.219 | S | C | . | . | trans | -90 | 176.5 | 178.4 | 74.6 | -4.4 | 0 | 0 | 0 | 112.4 | L283 A324 Y325 Q326 | L283-N322 HydrophobicContact CD2-CB 4.18Å; L283-N322 VanDerWaalsContact CD2-ND2 3.34Å; L283-N322 WeakPolarHBondContact CD2-ND2 3.44Å; N322-A324 PolarHBondContact O-N 2.89Å; N322-A324 VanDerWaalsContact O-N 3.07Å; N322-A324 WeakPolarHBondContact OD1-CA 3.15Å; N322-A324 WeakPolarHBondContact OD1-CB 3.43Å; N322-A324 PolarHBondContact OD1-N 2.97Å; N322-Y325 PolarHBondContact O-N 3.25Å; N322-Y325 PolarHBondContact OD1-N 2.85Å; N322-Q326 PolarHBondContact N-O 3.33Å; N322-Q326 PolarHBondContact ND2-OE1 2.91Å; N322-Q326 WeakPolarHBondContact OD1-CB 3.41Å; N322-Q326 PolarHBondContact OD1-N 2.8Å | ||
| 323 | E | 73.7 | Confident | 87 | Confident | 158 Ų | 158 | 40.4 Ų | 40.4 | 74% | 0.738 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -23.4 | 176.5 | -63 | -171.6 | -167.8 | 0 | 0 | 113.9 | Y325 | E323-Y325 VanDerWaalsContact C-N 3.32Š|
| 324 | A | 73.8 | Confident | 87.2 | Confident | 64 Ų | 64 | 41 Ų | 41 | 53% | 0.529 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 13.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | N322 Q326 | N322-A324 PolarHBondContact O-N 2.89Å; N322-A324 VanDerWaalsContact O-N 3.07Å; N322-A324 WeakPolarHBondContact OD1-CA 3.15Å; N322-A324 WeakPolarHBondContact OD1-CB 3.43Å; N322-A324 PolarHBondContact OD1-N 2.97Å; A324-Q326 HydrophobicContact CB-CG 4.16Å; A324-Q326 PolarHBondContact O-N 3.1Å; A324-Q326 VanDerWaalsContact O-N 3.1Å |
| 325 | Y | 74.5 | Confident | 87.5 | Confident | 189 Ų | 189 | 38.8 Ų | 38.8 | 74% | 0.741 | 19% | 0.194 | S | C | * | . | trans | 58.9 | 15.7 | -176.5 | -57.8 | -94.2 | 0 | 0 | 0 | 114.6 | N322 E323 | N322-Y325 PolarHBondContact O-N 3.25Å; N322-Y325 PolarHBondContact OD1-N 2.85Å; E323-Y325 VanDerWaalsContact C-N 3.32Å | ||
| 326 | Q | 76.6 | Confident | 87.5 | Confident | 71 Ų | 71 | 39.6 Ų | 39.6 | 33% | 0.332 | 20% | 0.196 | S | C | . | . | trans | -78.2 | 138.2 | 176.2 | -59.9 | 170.2 | -31.3 | 0 | 0 | 109.7 | L283 T321 N322 A324 | L283-Q326 HydrophobicContact CD1-CB 4.17Å; L283-Q326 HydrophobicContact CD2-CB 4.37Å; T321-Q326 WeakPolarHBondContact CA-O 3.34Å; N322-Q326 PolarHBondContact N-O 3.33Å; N322-Q326 PolarHBondContact ND2-OE1 2.91Å; N322-Q326 WeakPolarHBondContact OD1-CB 3.41Å; N322-Q326 PolarHBondContact OD1-N 2.8Å; A324-Q326 HydrophobicContact CB-CG 4.16Å; A324-Q326 PolarHBondContact O-N 3.1Å; A324-Q326 VanDerWaalsContact O-N 3.1Å | ||
| 327 | K | 85.9 | Confident | 87.5 | Confident | 69 Ų | 69 | 41.7 Ų | 41.7 | 30% | 0.3 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 131.9 | -175 | -65.2 | 174 | 171.6 | -178.1 | 0 | 110.5 | M319 L320 Y329 | M319-K327 HydrophobicContact CE-CD 3.98Å; M319-K327 HydrophobicContact CG-CB 4.15Å; M319-K327 HydrophobicContact CG-CG 4.24Å; M319-K327 HydrophobicContact SD-CB 4.09Å; M319-K327 HydrophobicContact SD-CD 3.51Å; M319-K327 VanDerWaalsContact SD-CD 3.51Å; M319-K327 HydrophobicContact SD-CG 3.63Å; L320-K327 WeakPolarHBondContact O-CA 3.34Å; K327-Y329 HydrophobicContact CB-CE2 4.03Å |
| 328 | L | 87.9 | Confident | 87.5 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 109.7 | 170.1 | -164 | 75.6 | 0 | 0 | 0 | 108.2 | P285 M319 L320 L404 S405 R406 | P285-L328 HydrophobicContact CG-CD2 3.83Å; M319-L328 WeakPolarHBondContact CA-O 3.43Å; L320-L328 HydrophobicContact CB-CB 4.38Å; L320-L328 PolarHBondContact N-O 3.47Å; L320-L328 PolarHBondContact O-N 3.17Å; L328-L404 HydrophobicContact CD2-CB 4Å; L328-L404 HydrophobicContact CD2-CD1 4Å; L328-L404 HydrophobicContact CD2-CG 4.47Å; L328-L404 HydrophobicContact CG-CB 4.19Å; L328-S405 CarbonylContact C-O 3.59Å; L328-R406 HydrophobicContact CD1-CG 4.24Å |
| 329 | Y | 91.1 | Very high | 87.5 | Confident | 35 Ų | 35 | 43.1 Ų | 43.1 | 14% | 0.137 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 120.1 | 179.4 | -57.7 | -95.5 | 0 | 0 | 0 | 109.1 | F318 M319 K327 L404 S405 R406 | F318-Y329 WeakPolarHBondContact O-CA 3.45Å; M319-Y329 HydrophobicContact CE-CD1 3.98Å; M319-Y329 HydrophobicContact CE-CE1 3.42Å; M319-Y329 VanDerWaalsContact CE-CE1 3.42Å; K327-Y329 HydrophobicContact CB-CE2 4.03Å; Y329-L404 WeakPolarHBondContact O-CA 3.24Å; Y329-S405 WeakPolarHBondContact CD2-O 3.3Å; Y329-S405 PolarHBondContact N-O 3.2Å; Y329-S405 PolarHBondContact O-N 2.79Å; Y329-R406 WeakPolarHBondContact CE2-O 3.39Å |
| 330 | G | 93.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 104.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | T317 F318 I403 | T317-G330 CarbonylContact C-O 3.55Å; T317-G330 VanDerWaalsContact CA-O 3.29Å; T317-G330 WeakPolarHBondContact CA-O 3.47Å; F318-G330 WeakPolarHBondContact CD1-O 3.37Å; F318-G330 WeakPolarHBondContact CE1-O 3.27Å; F318-G330 PolarHBondContact N-O 3.33Å; F318-G330 PolarHBondContact O-N 2.94Å; G330-I403 WeakPolarHBondContact CA-O 3.34Å |
| 331 | V | 95 | Very high | 87.1 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 118.9 | 175.6 | -173.6 | 0 | 0 | 0 | 0 | 108 | T317 C402 I403 F413 L417 | T317-V331 HydrophobicContact CG2-CG2 4.17Å; V331-C402 CarbonylContact O-C 3.57Å; V331-C402 VanDerWaalsContact O-CA 3.27Å; V331-C402 WeakPolarHBondContact O-CA 3.25Å; V331-C402 PolarHBondContact O-SG 3.23Å; V331-C402 VanDerWaalsContact O-SG 3.37Å; V331-I403 PolarHBondContact N-O 3.28Å; V331-I403 PolarHBondContact O-N 2.93Å; V331-F413 HydrophobicContact CB-CB 3.87Å; V331-F413 HydrophobicContact CB-CD2 4.35Å; V331-F413 HydrophobicContact CG1-CB 3.83Å; V331-F413 HydrophobicContact CG2-CB 4.01Å; V331-F413 HydrophobicContact CG2-CD2 3.91Å; V331-F413 HydrophobicContact CG2-CG 4.47Å; V331-L417 WeakPolarHBondContact O-CD1 3.3Å |
| 332 | A | 95.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 146.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S315 F316 F318 T400 L401 C402 | S315-A332 VanDerWaalsContact CA-O 3.27Å; S315-A332 WeakPolarHBondContact CA-O 3.5Å; S315-A332 PolarHBondContact OG-O 3.35Å; F316-A332 HydrophobicContact CD2-CB 4.03Å; F316-A332 HydrophobicContact CE1-CB 4.31Å; F316-A332 HydrophobicContact CE2-CB 3.63Å; F316-A332 HydrophobicContact CZ-CB 3.8Å; F316-A332 PolarHBondContact N-O 3.06Å; F316-A332 VanDerWaalsContact N-O 3.07Å; F316-A332 PolarHBondContact O-N 3.33Å; F318-A332 HydrophobicContact CE1-CB 4.2Å; A332-T400 HydrophobicContact CB-CG2 3.76Å; A332-L401 CarbonylContact C-O 3.56Å; A332-L401 WeakPolarHBondContact CA-O 3.44Å; A332-C402 HydrophobicContact CB-CB 4.47Å |
| 333 | L | 94.8 | Very high | 87.3 | Confident | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 106 | 171.3 | -171.4 | 77.4 | 0 | 0 | 0 | 108.6 | V313 T400 L401 L417 Y421 | V313-L333 HydrophobicContact CG1-CD1 3.38Å; V313-L333 HydrophobicContact CG1-CD2 4.05Å; V313-L333 HydrophobicContact CG1-CG 3.53Å; L333-T400 WeakPolarHBondContact O-CA 3.48Å; L333-L401 PolarHBondContact N-O 2.85Å; L333-L401 PolarHBondContact O-N 2.71Å; L333-L417 HydrophobicContact CB-CB 3.82Å; L333-L417 HydrophobicContact CB-CD1 3.93Å; L333-L417 HydrophobicContact CB-CG 4.49Å; L333-L417 HydrophobicContact CD2-CB 3.93Å; L333-L417 VanDerWaalsContact CD2-O 3.3Å; L333-L417 WeakPolarHBondContact CD2-O 3.48Å; L333-L417 HydrophobicContact CG-CB 4.42Å; L333-Y421 HydrophobicContact CD2-CG 4.33Å |
| 334 | T | 93.5 | Very high | 88 | Confident | 16 Ų | 16 | 51.1 Ų | 51.1 | 10% | 0.098 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 128.6 | -179.7 | -57 | 0 | 0 | 0 | 0 | 110.5 | C294 L295 V313 N314 F316 K399 T400 | C294-T334 PolarHBondContact O-OG1 2.87Å; L295-T334 HydrophobicContact CD2-CG2 3.89Å; V313-T334 WeakPolarHBondContact CA-O 3.41Å; V313-T334 WeakPolarHBondContact CG1-O 3.31Å; N314-T334 PolarHBondContact N-O 2.93Å; N314-T334 PolarHBondContact O-N 3.15Å; F316-T334 WeakPolarHBondContact CE1-OG1 3.4Å; T334-K399 WeakPolarHBondContact CA-O 3.4Å; T334-T400 VanDerWaalsContact OG1-CG2 3.3Å; T334-T400 WeakPolarHBondContact OG1-CG2 3.23Å; T334-T400 PolarHBondContact OG1-OG1 3.13Å |
| 335 | F | 92.1 | Very high | 88.6 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 1% | 0.013 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | -179.9 | -175.9 | 65.1 | -76.1 | 0 | 0 | 0 | 109.5 | V313 E337 T398 K399 L401 Y421 L425 | V313-F335 HydrophobicContact CG1-CB 4.25Å; V313-F335 HydrophobicContact CG2-CB 4Å; F335-E337 HydrophobicContact CD2-CG 4.24Å; F335-E337 HydrophobicContact CE2-CG 3.62Å; F335-T398 WeakPolarHBondContact O-CA 3.29Å; F335-K399 HydrophobicContact CD1-CB 4.48Å; F335-K399 VanDerWaalsContact CD1-O 3.26Å; F335-K399 WeakPolarHBondContact CD1-O 3.46Å; F335-K399 HydrophobicContact CE1-CB 3.79Å; F335-K399 HydrophobicContact CE2-CB 4.15Å; F335-K399 HydrophobicContact CZ-CB 3.61Å; F335-K399 HydrophobicContact CZ-CD 4.43Å; F335-K399 PolarHBondContact N-O 3.27Å; F335-K399 PolarHBondContact O-N 3.02Å; F335-K399 VanDerWaalsContact O-O 3.06Å; F335-L401 HydrophobicContact CE1-CD2 3.9Å; F335-L401 HydrophobicContact CE1-CG 3.81Å; F335-L401 HydrophobicContact CZ-CD2 4.24Å; F335-Y421 HydrophobicContact CB-CD2 4.07Å; F335-Y421 HydrophobicContact CB-CE2 3.64Å; F335-Y421 HydrophobicContact CD1-CD2 4.43Å; F335-Y421 AromaticContact CD2-CD2 3.97Å; F335-Y421 HydrophobicContact CD2-CD2 3.97Å; F335-Y421 AromaticContact CD2-CE2 3.68Å; F335-Y421 HydrophobicContact CD2-CE2 3.68Å; F335-Y421 AromaticContact CG-CD2 3.91Å; F335-Y421 HydrophobicContact CG-CD2 3.91Å; F335-Y421 AromaticContact CG-CE2 3.78Å; F335-Y421 HydrophobicContact CG-CE2 3.78Å; F335-L425 HydrophobicContact CE1-CD1 4.25Å; F335-L425 HydrophobicContact CE2-CD1 3.7Å; F335-L425 HydrophobicContact CZ-CD1 3.56Å |
| 336 | Y | 91.5 | Very high | 89.1 | Confident | 24 Ų | 24 | 50.8 Ų | 50.8 | 9% | 0.094 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 144.9 | 175.9 | -58.4 | -107.9 | 0 | 0 | 0 | 109.2 | K208 P311 F385 V397 T398 | K208-Y336 PolarHBondContact NZ-OH 3.14Å; P311-Y336 HydrophobicContact CB-CD2 3.56Å; P311-Y336 HydrophobicContact CB-CE2 3.28Å; P311-Y336 HydrophobicContact CB-CG 4.42Å; P311-Y336 HydrophobicContact CG-CD2 3.92Å; P311-Y336 HydrophobicContact CG-CE1 4.41Å; P311-Y336 HydrophobicContact CG-CE2 3.82Å; P311-Y336 HydrophobicContact CG-CG 4.3Å; Y336-F385 WeakPolarHBondContact O-CE1 3.49Å; Y336-F385 VanDerWaalsContact O-CZ 3.31Å; Y336-F385 WeakPolarHBondContact O-CZ 3.5Å; Y336-V397 CarbonylContact C-O 3.58Å; Y336-V397 VanDerWaalsContact CA-O 3.27Å; Y336-V397 WeakPolarHBondContact CA-O 3.37Å; Y336-T398 HydrophobicContact CD1-CG2 3.79Å; Y336-T398 HydrophobicContact CE1-CG2 3.4Å; Y336-T398 VanDerWaalsContact CE1-CG2 3.4Å |
| 337 | E | 90.7 | Very high | 89.7 | Confident | 52 Ų | 52 | 48.5 Ų | 48.5 | 24% | 0.243 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 156.2 | 168.2 | -70.2 | -176.3 | -171 | 0 | 0 | 110.7 | F335 Y339 G396 V397 K399 | F335-E337 HydrophobicContact CD2-CG 4.24Å; F335-E337 HydrophobicContact CE2-CG 3.62Å; E337-Y339 PolarHBondContact O-N 2.89Å; E337-G396 CarbonylContact O-C 3.56Å; E337-G396 VanDerWaalsContact O-CA 3.25Å; E337-G396 WeakPolarHBondContact O-CA 3.45Å; E337-V397 HydrophobicContact CB-CG1 4.22Å; E337-V397 PolarHBondContact N-O 2.57Å; E337-V397 PolarHBondContact O-N 3.11Å; E337-K399 VanDerWaalsContact CD-CE 3.41Å; E337-K399 VanDerWaalsContact OE1-CD 3.3Å; E337-K399 WeakPolarHBondContact OE1-CD 3.21Å; E337-K399 WeakPolarHBondContact OE1-CE 3.41Å; E337-K399 IonicContact OE1-NZ 2.74Å; E337-K399 PolarHBondContact OE1-NZ 3.5Å; E337-K399 WeakPolarHBondContact OE2-CE 3.38Å; E337-K399 IonicContact OE2-NZ 3.27Å; E337-K399 PolarHBondContact OE2-NZ 3.31Å |
| 338 | P | 91.9 | Very high | 89.9 | Confident | 37 Ų | 37 | 45.4 Ų | 45.4 | 24% | 0.24 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 119.3 | 175.8 | -16.7 | 30.8 | 0 | 0 | 0 | 111.1 | V340 H384 F385 | P338-V340 HydrophobicContact CB-CG1 4.49Å; P338-V340 PolarHBondContact O-N 3.3Å; P338-H384 WeakPolarHBondContact CG-O 3.4Å; P338-F385 HydrophobicContact CB-CD1 4.36Å; P338-F385 HydrophobicContact CG-CD1 4.01Å |
| 339 | Y | 92.8 | Very high | 89.9 | Confident | 9 Ų | 9 | 54.6 Ų | 54.6 | 4% | 0.035 | 26% | 0.263 | C | S | . | . | trans | -83.4 | 115.2 | 177.5 | -172.2 | -103.4 | 0 | 0 | 0 | 110.5 | L19 I301 E337 E341 L343 K347 S388 L395 V397 | L19-Y339 HydrophobicContact CD2-CE2 4.04Å; I301-Y339 HydrophobicContact CD1-CD1 4.44Å; I301-Y339 HydrophobicContact CD1-CD2 4.31Å; I301-Y339 HydrophobicContact CD1-CE1 3.89Å; I301-Y339 HydrophobicContact CD1-CE2 3.76Å; I301-Y339 HydrophobicContact CG1-CD2 4.36Å; I301-Y339 HydrophobicContact CG1-CE2 4.24Å; I301-Y339 HydrophobicContact CG2-CD1 3.94Å; I301-Y339 HydrophobicContact CG2-CE1 4.34Å; I301-Y339 HydrophobicContact CG2-CG 4.05Å; E337-Y339 PolarHBondContact O-N 2.89Å; Y339-E341 HydrophobicContact CD2-CG 4.47Å; Y339-E341 HydrophobicContact CE1-CB 4.1Å; Y339-E341 HydrophobicContact CE2-CB 4.02Å; Y339-E341 HydrophobicContact CE2-CG 3.81Å; Y339-E341 WeakPolarHBondContact CE2-OE2 3.42Å; Y339-E341 PolarHBondContact OH-OE2 3.23Å; Y339-L343 HydrophobicContact CD1-CD2 4.23Å; Y339-L343 HydrophobicContact CE1-CD2 3.82Å; Y339-K347 PolarHBondContact OH-NZ 2.74Å; Y339-S388 VanDerWaalsContact O-CB 3.23Å; Y339-S388 WeakPolarHBondContact O-CB 3.49Å; Y339-L395 PolarHBondContact N-O 2.95Å; Y339-V397 HydrophobicContact CD2-CB 3.96Å; Y339-V397 HydrophobicContact CD2-CG1 4.09Å | ||
| 340 | V | 88.2 | Confident | 89.6 | Confident | 107 Ų | 107 | 53.9 Ų | 53.9 | 65% | 0.648 | 26% | 0.263 | S | S | * | . | trans | -123.5 | 7.8 | -171.9 | -62.9 | 0 | 0 | 0 | 0 | 114.1 | P338 | P338-V340 HydrophobicContact CB-CG1 4.49Å; P338-V340 PolarHBondContact O-N 3.3Å | ||
| 341 | E | 84 | Confident | 89.5 | Confident | 112 Ų | 112 | 53.9 Ų | 53.9 | 52% | 0.523 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -74.8 | 170.7 | 175.5 | -52.4 | -177.3 | 149.4 | 0 | 0 | 112.1 | Y339 L343 | Y339-E341 HydrophobicContact CD2-CG 4.47Å; Y339-E341 HydrophobicContact CE1-CB 4.1Å; Y339-E341 HydrophobicContact CE2-CB 4.02Å; Y339-E341 HydrophobicContact CE2-CG 3.81Å; Y339-E341 WeakPolarHBondContact CE2-OE2 3.42Å; Y339-E341 PolarHBondContact OH-OE2 3.23Å; E341-L343 PolarHBondContact O-N 2.96Å |
| 342 | Q | 80.8 | Confident | 89.2 | Confident | 181 Ų | 181 | 55.6 Ų | 55.6 | 85% | 0.846 | 28% | 0.281 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 129.2 | 175.8 | -72.4 | -176.1 | -22.6 | 0 | 0 | 112.3 | K347 | Q342-K347 PolarHBondContact O-NZ 2.69Š|
| 343 | L | 87.2 | Confident | 88.9 | Confident | 22 Ų | 22 | 56 Ų | 56 | 12% | 0.115 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -90.1 | 121.8 | 169.3 | -62.3 | 172 | 0 | 0 | 0 | 109.2 | Y339 E341 K347 L351 V353 I358 L395 | Y339-L343 HydrophobicContact CD1-CD2 4.23Å; Y339-L343 HydrophobicContact CE1-CD2 3.82Å; E341-L343 PolarHBondContact O-N 2.96Å; L343-K347 HydrophobicContact CB-CB 4.35Å; L343-K347 HydrophobicContact CD2-CB 3.87Å; L343-K347 HydrophobicContact CD2-CD 4.02Å; L343-L351 HydrophobicContact CD2-CD1 3.81Å; L343-V353 HydrophobicContact CD1-CG1 4.27Å; L343-I358 HydrophobicContact CB-CD1 3.88Å; L343-I358 HydrophobicContact CD1-CD1 3.84Å; L343-I358 HydrophobicContact CD1-CG1 4.45Å; L343-I358 HydrophobicContact CG-CD1 4.47Å; L343-L395 HydrophobicContact CD1-CD1 3.8Å |
| 344 | D | 87.5 | Confident | 88.6 | Confident | 75 Ų | 75 | 59.8 Ų | 59.8 | 40% | 0.401 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 166.6 | 162.7 | 60.6 | 77 | 0 | 0 | 0 | 111 | H346 K347 C348 | D344-H346 PolarHBondContact O-N 3.14Å; D344-H346 VanDerWaalsContact O-N 3.17Å; D344-H346 WeakPolarHBondContact OD1-CA 3.48Å; D344-H346 WeakPolarHBondContact OD1-CB 2.95Å; D344-H346 PolarHBondContact OD1-N 2.96Å; D344-K347 WeakPolarHBondContact O-CB 3.31Å; D344-K347 PolarHBondContact O-N 2.78Å; D344-K347 VanDerWaalsContact O-N 3.11Å; D344-K347 PolarHBondContact OD1-N 3.32Å; D344-K347 WeakPolarHBondContact OD2-CD 3.23Å; D344-K347 WeakPolarHBondContact OD2-CE 3.2Å; D344-K347 WeakPolarHBondContact OD2-CG 3.25Å; D344-C348 PolarHBondContact O-N 2.82Å; D344-C348 PolarHBondContact O-SG 2.88Å |
| 345 | L | 86.9 | Confident | 88.2 | Confident | 128 Ų | 128 | 61.1 Ų | 61.1 | 67% | 0.67 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -57.9 | -31.1 | -176.5 | -176.4 | 61.3 | 0 | 0 | 0 | 113.7 | Y349 P355 | L345-Y349 PolarHBondContact O-N 2.78Å; L345-Y349 VanDerWaalsContact O-N 3.14Å; L345-P355 HydrophobicContact CD1-CB 3.94Å; L345-P355 HydrophobicContact CD1-CG 3.48Å; L345-P355 VanDerWaalsContact CD1-CG 3.48Å |
| 346 | H | 85.3 | Confident | 87.9 | Confident | 119 Ų | 119 | 68.3 Ų | 68.3 | 55% | 0.551 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -75.4 | -42.6 | 177.2 | 171.3 | -93.1 | 0 | 0 | 0 | 111.1 | D344 C348 Y349 C350 | D344-H346 PolarHBondContact O-N 3.14Å; D344-H346 VanDerWaalsContact O-N 3.17Å; D344-H346 WeakPolarHBondContact OD1-CA 3.48Å; D344-H346 WeakPolarHBondContact OD1-CB 2.95Å; D344-H346 PolarHBondContact OD1-N 2.96Å; H346-C348 VanDerWaalsContact C-N 3.31Å; H346-C348 PolarHBondContact O-N 2.82Å; H346-Y349 PolarHBondContact O-N 2.73Å; H346-C350 WeakPolarHBondContact O-CB 3.16Å; H346-C350 PolarHBondContact O-N 2.64Å; H346-C350 PolarHBondContact O-SG 2.72Å; H346-C350 VanDerWaalsContact O-SG 3.4Å |
| 347 | K | 88.9 | Confident | 87.5 | Confident | 23 Ų | 23 | 70.4 Ų | 70.4 | 10% | 0.1 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -56.8 | -44.5 | 169.4 | -73 | 178.4 | -168 | 179.4 | 0 | 111.4 | I212 Y339 Q342 L343 D344 Y349 C350 L351 | I212-K347 HydrophobicContact CD1-CB 4.12Å; I212-K347 HydrophobicContact CD1-CG 3.96Å; Y339-K347 PolarHBondContact OH-NZ 2.74Å; Q342-K347 PolarHBondContact O-NZ 2.69Å; L343-K347 HydrophobicContact CB-CB 4.35Å; L343-K347 HydrophobicContact CD2-CB 3.87Å; L343-K347 HydrophobicContact CD2-CD 4.02Å; D344-K347 WeakPolarHBondContact O-CB 3.31Å; D344-K347 PolarHBondContact O-N 2.78Å; D344-K347 VanDerWaalsContact O-N 3.11Å; D344-K347 PolarHBondContact OD1-N 3.32Å; D344-K347 WeakPolarHBondContact OD2-CD 3.23Å; D344-K347 WeakPolarHBondContact OD2-CE 3.2Å; D344-K347 WeakPolarHBondContact OD2-CG 3.25Å; K347-Y349 PolarHBondContact O-N 2.94Å; K347-C350 PolarHBondContact O-N 3.03Å; K347-L351 HydrophobicContact CB-CD1 4.31Å; K347-L351 WeakPolarHBondContact O-CB 3.5Å; K347-L351 WeakPolarHBondContact O-CD1 3.22Å; K347-L351 VanDerWaalsContact O-CG 3.29Å; K347-L351 WeakPolarHBondContact O-CG 3.38Å; K347-L351 PolarHBondContact O-N 2.76Å |
| 348 | C | 89.7 | Confident | 86.8 | Confident | 3 Ų | 3 | 70.2 Ų | 70.2 | 2% | 0.02 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -55.5 | -53.3 | 177.9 | -61 | 0 | 0 | 0 | 0 | 111.5 | D344 H346 L351 G352 V353 P355 I358 | D344-C348 PolarHBondContact O-N 2.82Å; D344-C348 PolarHBondContact O-SG 2.88Å; H346-C348 VanDerWaalsContact C-N 3.31Å; H346-C348 PolarHBondContact O-N 2.82Å; C348-L351 CarbonylContact O-C 3.52Å; C348-L351 PolarHBondContact O-N 3.12Å; C348-G352 PolarHBondContact O-N 2.63Å; C348-V353 CarbonylContact C-O 3.15Å; C348-V353 PolarHBondContact O-N 2.95Å; C348-P355 HydrophobicContact CB-CG 3.97Å; C348-I358 WeakPolarHBondContact SG-CD1 3.4Å |
| 349 | Y | 87.6 | Confident | 85.6 | Confident | 196 Ų | 196 | 77 Ų | 77 | 77% | 0.769 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -59 | -50.4 | 179.3 | 178.6 | -94.8 | 0 | 0 | 0 | 112.4 | L345 H346 K347 L351 G352 | L345-Y349 PolarHBondContact O-N 2.78Å; L345-Y349 VanDerWaalsContact O-N 3.14Å; H346-Y349 PolarHBondContact O-N 2.73Å; K347-Y349 PolarHBondContact O-N 2.94Å; Y349-L351 VanDerWaalsContact C-N 3.25Å; Y349-L351 PolarHBondContact O-N 3.29Å; Y349-G352 PolarHBondContact O-N 3.36Å |
| 350 | C | 85.4 | Confident | 84 | Confident | 20 Ų | 20 | 79.5 Ų | 79.5 | 14% | 0.135 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -69.6 | -21.2 | -178.9 | -65.1 | 0 | 0 | 0 | 0 | 113.5 | I212 H346 K347 | I212-C350 HydrophobicContact CD1-CB 3.8Å; I212-C350 HydrophobicContact CG1-CB 3.75Å; H346-C350 WeakPolarHBondContact O-CB 3.16Å; H346-C350 PolarHBondContact O-N 2.64Å; H346-C350 PolarHBondContact O-SG 2.72Å; H346-C350 VanDerWaalsContact O-SG 3.4Å; K347-C350 PolarHBondContact O-N 3.03Å |
| 351 | L | 90.4 | Very high | 82.4 | Confident | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 3.1 | 175.4 | -65.1 | 164 | 0 | 0 | 0 | 113.3 | C210 I212 I301 S303 L343 K347 C348 Y349 V353 L395 | C210-L351 WeakPolarHBondContact CB-O 3.48Å; C210-L351 PolarHBondContact SG-O 3.5Å; I212-L351 HydrophobicContact CD1-CD1 3.98Å; I212-L351 HydrophobicContact CD1-CD2 4.43Å; I212-L351 HydrophobicContact CD1-CG 3.89Å; I212-L351 HydrophobicContact CG1-CD2 4.25Å; I212-L351 HydrophobicContact CG1-CG 4.18Å; I301-L351 HydrophobicContact CB-CD1 4.49Å; I301-L351 HydrophobicContact CB-CD2 4.46Å; I301-L351 HydrophobicContact CG2-CD1 3.71Å; I301-L351 HydrophobicContact CG2-CD2 4.02Å; S303-L351 WeakPolarHBondContact CB-O 3.3Å; S303-L351 PolarHBondContact OG-O 2.88Å; L343-L351 HydrophobicContact CD2-CD1 3.81Å; K347-L351 HydrophobicContact CB-CD1 4.31Å; K347-L351 WeakPolarHBondContact O-CB 3.5Å; K347-L351 WeakPolarHBondContact O-CD1 3.22Å; K347-L351 VanDerWaalsContact O-CG 3.29Å; K347-L351 WeakPolarHBondContact O-CG 3.38Å; K347-L351 PolarHBondContact O-N 2.76Å; C348-L351 CarbonylContact O-C 3.52Å; C348-L351 PolarHBondContact O-N 3.12Å; Y349-L351 VanDerWaalsContact C-N 3.25Å; Y349-L351 PolarHBondContact O-N 3.29Å; L351-V353 HydrophobicContact CB-CG2 4.12Å; L351-V353 PolarHBondContact O-N 2.94Å; L351-L395 HydrophobicContact CB-CD2 4.17Å; L351-L395 HydrophobicContact CD1-CD2 3.95Å; L351-L395 HydrophobicContact CD2-CD2 4.48Å; L351-L395 HydrophobicContact CG-CD2 4.42Å |
| 352 | G | 88.3 | Confident | 80.1 | Confident | 37 Ų | 37 | 80.4 Ų | 80.4 | 38% | 0.381 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 32 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | C348 Y349 | C348-G352 PolarHBondContact O-N 2.63Å; Y349-G352 PolarHBondContact O-N 3.36Å |
| 353 | V | 90.2 | Very high | 77.8 | Confident | 7 Ų | 7 | 75.7 Ų | 75.7 | 4% | 0.042 | 39% | 0.393 | C | S | . | . | trans | -100.8 | 131.8 | 177.3 | 177.7 | 0 | 0 | 0 | 0 | 108.4 | L343 C348 L351 P355 I358 V390 R393 L395 | L343-V353 HydrophobicContact CD1-CG1 4.27Å; C348-V353 CarbonylContact C-O 3.15Å; C348-V353 PolarHBondContact O-N 2.95Å; L351-V353 HydrophobicContact CB-CG2 4.12Å; L351-V353 PolarHBondContact O-N 2.94Å; V353-P355 WeakPolarHBondContact O-CD 3.35Å; V353-I358 HydrophobicContact CG1-CD1 4.18Å; V353-I358 HydrophobicContact CG1-CG1 4.39Å; V353-V390 HydrophobicContact CG1-CB 3.97Å; V353-V390 HydrophobicContact CG1-CG1 3.53Å; V353-R393 HydrophobicContact CG2-CB 4.16Å; V353-R393 HydrophobicContact CG2-CG 4.19Å; V353-L395 HydrophobicContact CG2-CD1 4.41Å; V353-L395 HydrophobicContact CG2-CD2 4.05Å | ||
| 354 | D | 88 | Confident | 75.1 | Confident | 84 Ų | 84 | 80.7 Ų | 80.7 | 45% | 0.449 | 43% | 0.425 | S | S | . | . | trans | -67.2 | 122 | 173.1 | -168.4 | -40.2 | 0 | 0 | 0 | 110.3 | E356 L357 | D354-E356 PolarHBondContact O-N 3.49Å; D354-E356 WeakPolarHBondContact OD1-CB 3.37Å; D354-E356 PolarHBondContact OD1-N 2.93Å; D354-L357 HydrophobicContact CB-CB 4.47Å; D354-L357 HydrophobicContact CB-CD1 3.91Å; D354-L357 HydrophobicContact CB-CG 3.95Å; D354-L357 PolarHBondContact O-N 2.9Å | ||
| 355 | P | 85.3 | Confident | 72.7 | Confident | 44 Ų | 44 | 83.5 Ų | 83.5 | 29% | 0.286 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -32 | 178.8 | -23.8 | 34.3 | 0 | 0 | 0 | 114.1 | L345 C348 V353 L357 I358 Y359 | L345-P355 HydrophobicContact CD1-CB 3.94Å; L345-P355 HydrophobicContact CD1-CG 3.48Å; L345-P355 VanDerWaalsContact CD1-CG 3.48Å; C348-P355 HydrophobicContact CB-CG 3.97Å; V353-P355 WeakPolarHBondContact O-CD 3.35Å; P355-L357 VanDerWaalsContact C-N 3.29Å; P355-L357 PolarHBondContact O-N 2.88Å; P355-I358 PolarHBondContact O-N 3.21Å; P355-Y359 WeakPolarHBondContact O-CD2 3.47Å |
| 356 | E | 84.9 | Confident | 69.9 | Low | 154 Ų | 154 | 83.8 Ų | 83.8 | 72% | 0.72 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -68 | -31.6 | -176.8 | -60.7 | -167.5 | 176.7 | 0 | 0 | 111.7 | D354 I358 Y359 S360 | D354-E356 PolarHBondContact O-N 3.49Å; D354-E356 WeakPolarHBondContact OD1-CB 3.37Å; D354-E356 PolarHBondContact OD1-N 2.93Å; E356-I358 PolarHBondContact O-N 3.44Å; E356-Y359 PolarHBondContact O-N 3.49Å; E356-S360 PolarHBondContact O-N 3.16Å |
| 357 | L | 83.1 | Confident | 67.7 | Low | 69 Ų | 69 | 82.9 Ų | 82.9 | 36% | 0.361 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -73.2 | -7 | -179.9 | -60.9 | -177.8 | 0 | 0 | 0 | 114.4 | D354 P355 S360 V390 | D354-L357 HydrophobicContact CB-CB 4.47Å; D354-L357 HydrophobicContact CB-CD1 3.91Å; D354-L357 HydrophobicContact CB-CG 3.95Å; D354-L357 PolarHBondContact O-N 2.9Å; P355-L357 VanDerWaalsContact C-N 3.29Å; P355-L357 PolarHBondContact O-N 2.88Å; L357-S360 WeakPolarHBondContact CA-OG 3.45Å; L357-S360 PolarHBondContact O-OG 2.76Å; L357-V390 HydrophobicContact CB-CG1 3.89Å |
| 358 | I | 77 | Confident | 65.4 | Low | 48 Ų | 48 | 84.9 Ų | 84.9 | 25% | 0.246 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -85.4 | -39.5 | 173.1 | -65 | 158.7 | 0 | 0 | 0 | 110.1 | L343 C348 V353 P355 E356 K361 V390 | L343-I358 HydrophobicContact CB-CD1 3.88Å; L343-I358 HydrophobicContact CD1-CD1 3.84Å; L343-I358 HydrophobicContact CD1-CG1 4.45Å; L343-I358 HydrophobicContact CG-CD1 4.47Å; C348-I358 WeakPolarHBondContact SG-CD1 3.4Å; V353-I358 HydrophobicContact CG1-CD1 4.18Å; V353-I358 HydrophobicContact CG1-CG1 4.39Å; P355-I358 PolarHBondContact O-N 3.21Å; E356-I358 PolarHBondContact O-N 3.44Å; I358-K361 WeakPolarHBondContact O-CB 3.41Å; I358-K361 PolarHBondContact O-N 2.85Å; I358-V390 HydrophobicContact CG1-CG1 3.99Å |
| 359 | Y | 66.9 | Low | 63.1 | Low | 180 Ų | 180 | 91.1 Ų | 91.1 | 71% | 0.706 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -75.5 | -30.5 | 178.7 | -60.1 | -75.7 | 0 | 0 | 0 | 112.5 | P355 E356 K361 S362 | P355-Y359 WeakPolarHBondContact O-CD2 3.47Å; E356-Y359 PolarHBondContact O-N 3.49Å; Y359-K361 PolarHBondContact O-N 3.46Å; Y359-S362 PolarHBondContact O-OG 2.87Å; Y359-S362 VanDerWaalsContact O-OG 3.09Å |
| 360 | S | 59 | Low | 61.1 | Low | 61 Ų | 61 | 90.3 Ų | 90.3 | 43% | 0.427 | 49% | 0.493 | S | S | . | . | G | 310 helix | trans | -65.3 | -19.4 | 175.1 | 65.1 | 0 | 0 | 0 | 0 | 113.7 | E356 L357 S362 S363 | E356-S360 PolarHBondContact O-N 3.16Å; L357-S360 WeakPolarHBondContact CA-OG 3.45Å; L357-S360 PolarHBondContact O-OG 2.76Å; S360-S362 PolarHBondContact O-N 2.87Å; S360-S363 WeakPolarHBondContact O-CB 3.48Å; S360-S363 PolarHBondContact O-N 2.98Å |
| 361 | K | 53.2 | Low | 59.5 | Low | 132 Ų | 132 | 95.2 Ų | 95.2 | 57% | 0.574 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -67.5 | -2.3 | -177.9 | -148.8 | 165.9 | -178.9 | 175.6 | 0 | 114.1 | I358 Y359 R389 | I358-K361 WeakPolarHBondContact O-CB 3.41Å; I358-K361 PolarHBondContact O-N 2.85Å; Y359-K361 PolarHBondContact O-N 3.46Å; K361-R389 PolarHBondContact NZ-O 3.34Å |
| 362 | S | 36.9 | Very low | 58.6 | Low | 106 Ų | 106 | 99.7 Ų | 99.7 | 74% | 0.741 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -93.8 | -5.5 | 168.2 | 60.2 | 0 | 0 | 0 | 0 | 114.9 | Y359 S360 | Y359-S362 PolarHBondContact O-OG 2.87Å; Y359-S362 VanDerWaalsContact O-OG 3.09Å; S360-S362 PolarHBondContact O-N 2.87Å |
| 363 | S | 32.5 | Very low | 58 | Low | 81 Ų | 81 | 101.4 Ų | 101.4 | 57% | 0.566 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -91 | 121 | 179 | -69.6 | 0 | 0 | 0 | 0 | 111.5 | S360 D365 | S360-S363 WeakPolarHBondContact O-CB 3.48Å; S360-S363 PolarHBondContact O-N 2.98Å; S363-D365 PolarHBondContact O-N 3.03Å |
| 364 | T | 31.2 | Very low | 57.5 | Low | 127 Ų | 127 | 105.2 Ų | 105.2 | 78% | 0.779 | 56% | 0.564 | S | S | * | * | trans | -80.7 | 81 | 177.8 | 47 | 0 | 0 | 0 | 0 | 111.8 | L366 | T364-L366 VanDerWaalsContact C-N 3.29Å; T364-L366 PolarHBondContact O-N 2.89Å | ||
| 365 | D | 35.8 | Very low | 57.5 | Low | 135 Ų | 135 | 104.6 Ų | 104.6 | 72% | 0.722 | 56% | 0.558 | S | S | * | * | trans | -71.2 | 83.5 | 173.5 | -84 | -32.5 | 0 | 0 | 0 | 111.8 | S363 V367 | S363-D365 PolarHBondContact O-N 3.03Å; D365-V367 HydrophobicContact CB-CG2 4.2Å; D365-V367 PolarHBondContact O-N 3.19Å | ||
| 366 | L | 29.1 | Very low | 57.4 | Low | 134 Ų | 134 | 107.9 Ų | 107.9 | 70% | 0.702 | 57% | 0.569 | S | S | * | * | trans | -72.3 | 55.6 | 163.9 | -72.6 | 168.3 | 0 | 0 | 0 | 110.7 | T364 N368 | T364-L366 VanDerWaalsContact C-N 3.29Å; T364-L366 PolarHBondContact O-N 2.89Å; L366-N368 PolarHBondContact O-ND2 3.39Å | ||
| 367 | V | 38.7 | Very low | 57.4 | Low | 100 Ų | 100 | 102.9 Ų | 102.9 | 61% | 0.606 | 55% | 0.554 | S | S | * | * | trans | -84.7 | 145.9 | 169.5 | -177.6 | 0 | 0 | 0 | 0 | 108.4 | D365 D369 | D365-V367 HydrophobicContact CB-CG2 4.2Å; D365-V367 PolarHBondContact O-N 3.19Å; V367-D369 WeakPolarHBondContact CG1-OD2 3.43Å | ||
| 368 | N | 39.4 | Very low | 57.6 | Low | 64 Ų | 64 | 99.9 Ų | 99.9 | 34% | 0.342 | 54% | 0.539 | S | S | . | . | trans | -132.2 | 78.3 | -162.5 | -69.4 | -119.4 | 0 | 0 | 0 | 110.8 | L366 K2067 | L366-N368 PolarHBondContact O-ND2 3.39Å; N368-K2067 HydrophobicContact CB-CD 4.36Å; N368-K2067 HydrophobicContact CB-CG 4.38Å; N368-K2067 PolarHBondContact O-NZ 2.76Å; N368-K2067 VanDerWaalsContact OD1-CG 3.3Å; N368-K2067 WeakPolarHBondContact OD1-CG 3.49Å | ||
| 369 | D | 42.3 | Very low | 58.1 | Low | 134 Ų | 134 | 99.3 Ų | 99.3 | 72% | 0.717 | 54% | 0.541 | S | S | * | . | trans | -125.4 | -172.7 | -174.2 | -71.7 | -61.5 | 0 | 0 | 0 | 113.2 | V367 | V367-D369 WeakPolarHBondContact CG1-OD2 3.43Š| ||
| 370 | E | 45.2 | Very low | 58.8 | Low | 180 Ų | 180 | 98 Ų | 98 | 84% | 0.841 | 54% | 0.539 | S | S | * | . | trans | -74.2 | 165.5 | -159.2 | -59.2 | 174 | 133.9 | 0 | 0 | 113.6 | D372 | E370-D372 VanDerWaalsContact C-N 3.32Å; E370-D372 PolarHBondContact O-N 3.12Å | ||
| 371 | Y | 52.5 | Low | 60.1 | Low | 123 Ų | 123 | 98 Ų | 98 | 48% | 0.482 | 53% | 0.53 | S | S | . | . | trans | -70.6 | 86.3 | 173.9 | -101 | -96.8 | 0 | 0 | 0 | 110.2 | A373 N2063 Q2064 | Y371-A373 PolarHBondContact O-N 3.12Å; Y371-A373 VanDerWaalsContact O-N 3.08Å; Y371-N2063 WeakPolarHBondContact CE1-ND2 3.35Å; Y371-N2063 WeakPolarHBondContact OH-CB 3.39Å; Y371-N2063 PolarHBondContact OH-ND2 3.14Å; Y371-N2063 PolarHBondContact OH-OD1 2.99Å; Y371-Q2064 HydrophobicContact CE2-CG 4.03Å | ||
| 372 | D | 70.4 | Confident | 61.8 | Low | 93 Ų | 93 | 91.8 Ų | 91.8 | 50% | 0.497 | 50% | 0.503 | S | S | . | . | trans | -68.2 | 105.7 | 171.4 | -174.6 | 5.8 | 0 | 0 | 0 | 110.2 | E370 N374 E375 E376 | E370-D372 VanDerWaalsContact C-N 3.32Å; E370-D372 PolarHBondContact O-N 3.12Å; D372-N374 PolarHBondContact O-N 3.15Å; D372-N374 VanDerWaalsContact O-N 3.15Å; D372-N374 WeakPolarHBondContact OD1-CB 3.26Å; D372-N374 PolarHBondContact OD1-N 3.2Å; D372-E375 PolarHBondContact O-N 3.31Å; D372-E375 VanDerWaalsContact O-N 3.08Å; D372-E376 PolarHBondContact O-N 2.68Å | ||
| 373 | A | 75.6 | Confident | 64.1 | Low | 73 Ų | 73 | 91.9 Ų | 91.9 | 60% | 0.603 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.3 | -20.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | Y371 A377 | Y371-A373 PolarHBondContact O-N 3.12Å; Y371-A373 VanDerWaalsContact O-N 3.08Å; A373-A377 WeakPolarHBondContact O-CB 3.31Å; A373-A377 PolarHBondContact O-N 2.8Å |
| 374 | N | 81.5 | Confident | 66.5 | Low | 88 Ų | 88 | 90.4 Ų | 90.4 | 47% | 0.471 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -69.1 | -41.3 | 173.8 | -169.5 | 42.7 | 0 | 0 | 0 | 111.6 | D372 A377 I378 | D372-N374 PolarHBondContact O-N 3.15Å; D372-N374 VanDerWaalsContact O-N 3.15Å; D372-N374 WeakPolarHBondContact OD1-CB 3.26Å; D372-N374 PolarHBondContact OD1-N 3.2Å; N374-A377 WeakPolarHBondContact O-CB 3.33Å; N374-A377 PolarHBondContact O-N 2.95Å; N374-I378 VanDerWaalsContact O-CG1 3.28Å; N374-I378 WeakPolarHBondContact O-CG1 3.4Å; N374-I378 PolarHBondContact O-N 2.58Å |
| 375 | E | 86.4 | Confident | 69.3 | Low | 71 Ų | 71 | 84.7 Ų | 84.7 | 33% | 0.332 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -69.5 | -36.2 | 175.6 | -79.9 | -64.8 | 154.7 | 0 | 0 | 112.4 | D372 A377 I378 A379 R389 | D372-E375 PolarHBondContact O-N 3.31Å; D372-E375 VanDerWaalsContact O-N 3.08Å; E375-A377 VanDerWaalsContact C-N 3.34Å; E375-A377 PolarHBondContact O-N 3.1Å; E375-I378 PolarHBondContact O-N 3.45Å; E375-A379 WeakPolarHBondContact O-CB 3.3Å; E375-A379 PolarHBondContact O-N 3.09Å; E375-R389 IonicContact OE1-CZ 3.36Å; E375-R389 VanDerWaalsContact OE1-CZ 3.27Å; E375-R389 IonicContact OE1-NH1 2.69Å; E375-R389 PolarHBondContact OE1-NH1 3.11Å; E375-R389 IonicContact OE1-NH2 3.31Å; E375-R389 PolarHBondContact OE1-NH2 2.94Å; E375-R389 IonicContact OE2-CZ 3.89Å; E375-R389 IonicContact OE2-NH1 3.04Å; E375-R389 PolarHBondContact OE2-NH1 3.18Å; E375-R389 IonicContact OE2-NH2 3.8Å |
| 376 | E | 84.6 | Confident | 71.8 | Confident | 112 Ų | 112 | 81.1 Ų | 81.1 | 52% | 0.523 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 169.8 | -166.9 | -173.7 | 141.3 | 0 | 0 | 111.2 | D372 A379 K380 | D372-E376 PolarHBondContact O-N 2.68Å; E376-A379 PolarHBondContact O-N 2.86Å; E376-K380 VanDerWaalsContact O-CB 3.23Å; E376-K380 WeakPolarHBondContact O-CB 3.33Å; E376-K380 PolarHBondContact O-N 2.94Å |
| 377 | A | 84.2 | Confident | 74.6 | Confident | 49 Ų | 49 | 78 Ų | 78 | 41% | 0.405 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A373 N374 E375 K380 R381 | A373-A377 WeakPolarHBondContact O-CB 3.31Å; A373-A377 PolarHBondContact O-N 2.8Å; N374-A377 WeakPolarHBondContact O-CB 3.33Å; N374-A377 PolarHBondContact O-N 2.95Å; E375-A377 VanDerWaalsContact C-N 3.34Å; E375-A377 PolarHBondContact O-N 3.1Å; A377-K380 PolarHBondContact O-N 2.84Å; A377-R381 WeakPolarHBondContact O-CB 3.26Å; A377-R381 PolarHBondContact O-N 2.73Å |
| 378 | I | 87.9 | Confident | 77.2 | Confident | 6 Ų | 6 | 73.4 Ų | 73.4 | 3% | 0.031 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.2 | -49.5 | 174 | -71.5 | 164.1 | 0 | 0 | 0 | 110.5 | V306 N374 E375 K380 R381 Q382 L386 | V306-I378 HydrophobicContact CB-CD1 4.32Å; V306-I378 HydrophobicContact CB-CG1 4.32Å; V306-I378 HydrophobicContact CB-CG2 3.9Å; V306-I378 HydrophobicContact CG1-CG2 4.13Å; V306-I378 HydrophobicContact CG2-CD1 4.11Å; N374-I378 VanDerWaalsContact O-CG1 3.28Å; N374-I378 WeakPolarHBondContact O-CG1 3.4Å; N374-I378 PolarHBondContact O-N 2.58Å; E375-I378 PolarHBondContact O-N 3.45Å; I378-K380 VanDerWaalsContact C-N 3.3Å; I378-K380 PolarHBondContact O-N 2.78Å; I378-R381 PolarHBondContact O-N 3.5Å; I378-R381 VanDerWaalsContact O-N 3.17Å; I378-Q382 HydrophobicContact CG2-CG 4.23Å; I378-Q382 WeakPolarHBondContact O-CG 3.26Å; I378-Q382 PolarHBondContact O-N 3.4Å; I378-L386 HydrophobicContact CG2-CD1 4.1Å |
| 379 | A | 86.4 | Confident | 79.7 | Confident | 36 Ų | 36 | 73.3 Ų | 73.3 | 30% | 0.298 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.1 | -41.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | E375 E376 R383 L386 | E375-A379 WeakPolarHBondContact O-CB 3.3Å; E375-A379 PolarHBondContact O-N 3.09Å; E376-A379 PolarHBondContact O-N 2.86Å; A379-R383 WeakPolarHBondContact O-CA 3.29Å; A379-R383 PolarHBondContact O-N 3.24Å; A379-L386 HydrophobicContact CB-CD2 3.8Å |
| 380 | K | 83.6 | Confident | 82 | Confident | 152 Ų | 152 | 67.7 Ų | 67.7 | 66% | 0.661 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -69.2 | -31.5 | 177.4 | -167.6 | 171.5 | -171.6 | 167.1 | 0 | 113.5 | E376 A377 I378 | E376-K380 VanDerWaalsContact O-CB 3.23Å; E376-K380 WeakPolarHBondContact O-CB 3.33Å; E376-K380 PolarHBondContact O-N 2.94Å; A377-K380 PolarHBondContact O-N 2.84Å; I378-K380 VanDerWaalsContact C-N 3.3Å; I378-K380 PolarHBondContact O-N 2.78Å |
| 381 | R | 86.2 | Confident | 84.2 | Confident | 63 Ų | 63 | 60.6 Ų | 60.6 | 24% | 0.238 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -74.2 | -52.9 | 174.4 | -166.9 | -170 | -58.5 | -89.9 | 7 | 111.6 | E156 N307 Q308 D309 A377 I378 | E156-R381 IonicContact OE1-CZ 2.73Å; E156-R381 VanDerWaalsContact OE1-CZ 3.31Å; E156-R381 IonicContact OE1-NH1 3.85Å; E156-R381 PolarHBondContact OE1-NH1 2.98Å; E156-R381 IonicContact OE1-NH2 3.5Å; E156-R381 PolarHBondContact OE1-NH2 2.88Å; N307-R381 PolarHBondContact O-NE 3.2Å; Q308-R381 WeakPolarHBondContact O-CD 3.33Å; D309-R381 WeakPolarHBondContact OD1-CD 3.33Å; D309-R381 WeakPolarHBondContact OD1-CG 3.4Å; D309-R381 IonicContact OD1-CZ 2.77Å; D309-R381 IonicContact OD1-NE 2.78Å; D309-R381 IonicContact OD1-NH1 3.53Å; D309-R381 PolarHBondContact OD1-NH1 3.22Å; A377-R381 WeakPolarHBondContact O-CB 3.26Å; A377-R381 PolarHBondContact O-N 2.73Å; I378-R381 PolarHBondContact O-N 3.5Å; I378-R381 VanDerWaalsContact O-N 3.17Å |
| 382 | Q | 88.4 | Confident | 86 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -80.5 | -26.7 | -172.2 | -57.5 | -56.2 | -28.4 | 0 | 0 | 113.7 | V306 Q308 I378 H384 F385 I394 | V306-Q382 PolarHBondContact O-NE2 2.91Å; Q308-Q382 PolarHBondContact O-NE2 3.08Å; I378-Q382 HydrophobicContact CG2-CG 4.23Å; I378-Q382 WeakPolarHBondContact O-CG 3.26Å; I378-Q382 PolarHBondContact O-N 3.4Å; Q382-H384 PolarHBondContact O-N 3.47Å; Q382-F385 WeakPolarHBondContact O-CB 3.43Å; Q382-F385 PolarHBondContact O-N 2.88Å; Q382-F385 VanDerWaalsContact O-N 3.09Å; Q382-I394 HydrophobicContact CB-CD1 4.35Å; Q382-I394 HydrophobicContact CG-CD1 4Å; Q382-I394 HydrophobicContact CG-CG1 3.95Å |
| 383 | R | 85.3 | Confident | 87 | Confident | 108 Ų | 108 | 55.6 Ų | 55.6 | 41% | 0.408 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | 52.6 | -125.5 | 179.3 | -50.2 | -180 | -169.1 | -178.6 | 2.4 | 111.4 | A379 F385 L386 M639 D642 | A379-R383 WeakPolarHBondContact O-CA 3.29Å; A379-R383 PolarHBondContact O-N 3.24Å; R383-F385 PolarHBondContact O-N 3.42Å; R383-L386 VanDerWaalsContact O-CB 3.26Å; R383-L386 WeakPolarHBondContact O-CB 3.39Å; R383-L386 PolarHBondContact O-N 2.71Å; R383-M639 PolarHBondContact NH2-SD 3Å; R383-D642 IonicContact NH1-OD2 3.12Å; R383-D642 PolarHBondContact NH1-OD2 3.46Å |
| 384 | H | 83.2 | Confident | 87.9 | Confident | 51 Ų | 51 | 52.1 Ų | 52.1 | 24% | 0.236 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -61.3 | -24.4 | -179.3 | 65.1 | -84 | 0 | 0 | 0 | 113.7 | P338 Q382 L386 L426 | P338-H384 WeakPolarHBondContact CG-O 3.4Å; Q382-H384 PolarHBondContact O-N 3.47Å; H384-L386 PolarHBondContact O-N 3.02Å; H384-L426 WeakPolarHBondContact CE1-CD2 3.21Å; H384-L426 WeakPolarHBondContact ND1-CD2 3.14Å |
| 385 | F | 89.7 | Confident | 88.5 | Confident | 6 Ų | 6 | 48.1 Ų | 48.1 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -69.2 | -13.6 | 174.1 | -64.1 | -72.3 | 0 | 0 | 0 | 113.9 | W304 P310 Y336 P338 Q382 R383 A387 S388 I394 | W304-F385 AromaticContact CH2-CD1 3.88Å; W304-F385 HydrophobicContact CH2-CD1 3.88Å; W304-F385 AromaticContact CH2-CE1 3.87Å; W304-F385 HydrophobicContact CH2-CE1 3.87Å; W304-F385 HydrophobicContact CH2-CG 4.3Å; W304-F385 HydrophobicContact CH2-CZ 4.28Å; W304-F385 HydrophobicContact CZ2-CB 4.23Å; W304-F385 AromaticContact CZ2-CD1 3.85Å; W304-F385 HydrophobicContact CZ2-CD1 3.85Å; W304-F385 HydrophobicContact CZ2-CD2 4.04Å; W304-F385 HydrophobicContact CZ2-CE1 4.17Å; W304-F385 HydrophobicContact CZ2-CE2 4.33Å; W304-F385 AromaticContact CZ2-CG 3.79Å; W304-F385 HydrophobicContact CZ2-CG 3.79Å; W304-F385 HydrophobicContact CZ2-CZ 4.4Å; P310-F385 HydrophobicContact CB-CD2 3.85Å; P310-F385 HydrophobicContact CB-CE2 3.77Å; P310-F385 HydrophobicContact CG-CD2 4.03Å; P310-F385 HydrophobicContact CG-CE2 4.4Å; Y336-F385 WeakPolarHBondContact O-CE1 3.49Å; Y336-F385 VanDerWaalsContact O-CZ 3.31Å; Y336-F385 WeakPolarHBondContact O-CZ 3.5Å; P338-F385 HydrophobicContact CB-CD1 4.36Å; P338-F385 HydrophobicContact CG-CD1 4.01Å; Q382-F385 WeakPolarHBondContact O-CB 3.43Å; Q382-F385 PolarHBondContact O-N 2.88Å; Q382-F385 VanDerWaalsContact O-N 3.09Å; R383-F385 PolarHBondContact O-N 3.42Å; F385-A387 PolarHBondContact O-N 3.46Å; F385-A387 VanDerWaalsContact O-N 3.11Å; F385-S388 PolarHBondContact O-N 2.9Å; F385-S388 PolarHBondContact O-OG 2.98Å; F385-I394 HydrophobicContact CB-CG2 3.59Å; F385-I394 HydrophobicContact CG-CG2 4.39Å |
| 386 | L | 87.8 | Confident | 88.9 | Confident | 61 Ų | 61 | 44.7 Ų | 44.7 | 32% | 0.319 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -58.6 | -27.3 | 176.9 | -167.6 | 69.5 | 0 | 0 | 0 | 112.5 | I378 A379 R383 H384 S388 R389 | I378-L386 HydrophobicContact CG2-CD1 4.1Å; A379-L386 HydrophobicContact CB-CD2 3.8Å; R383-L386 VanDerWaalsContact O-CB 3.26Å; R383-L386 WeakPolarHBondContact O-CB 3.39Å; R383-L386 PolarHBondContact O-N 2.71Å; H384-L386 PolarHBondContact O-N 3.02Å; L386-S388 VanDerWaalsContact C-N 3.26Å; L386-S388 PolarHBondContact O-N 2.8Å; L386-R389 VanDerWaalsContact O-CB 3.3Å; L386-R389 WeakPolarHBondContact O-CB 3.46Å; L386-R389 PolarHBondContact O-N 3.43Å |
| 387 | A | 88.2 | Confident | 89.3 | Confident | 69 Ų | 69 | 40 Ų | 40 | 57% | 0.57 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -60.7 | -31.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | F385 | F385-A387 PolarHBondContact O-N 3.46Å; F385-A387 VanDerWaalsContact O-N 3.11Å |
| 388 | S | 92.7 | Very high | 89.8 | Confident | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -92.5 | 13.1 | 178.8 | 64.8 | 0 | 0 | 0 | 0 | 114 | Y339 F385 L386 L395 | Y339-S388 VanDerWaalsContact O-CB 3.23Å; Y339-S388 WeakPolarHBondContact O-CB 3.49Å; F385-S388 PolarHBondContact O-N 2.9Å; F385-S388 PolarHBondContact O-OG 2.98Å; L386-S388 VanDerWaalsContact C-N 3.26Å; L386-S388 PolarHBondContact O-N 2.8Å; S388-L395 WeakPolarHBondContact CB-O 3.39Å; S388-L395 PolarHBondContact OG-N 3.09Å; S388-L395 PolarHBondContact OG-O 2.88Å |
| 389 | R | 93 | Very high | 90.1 | Very high | 62 Ų | 62 | 39.9 Ų | 39.9 | 23% | 0.234 | 21% | 0.205 | C | C | . | . | trans | -63.8 | 135.5 | 177.5 | -172.1 | 175.3 | 173.5 | 179.6 | -2.1 | 112.4 | V306 K361 E375 L386 G391 R393 I394 | V306-R389 HydrophobicContact CG1-CG 4.25Å; K361-R389 PolarHBondContact NZ-O 3.34Å; E375-R389 IonicContact OE1-CZ 3.36Å; E375-R389 VanDerWaalsContact OE1-CZ 3.27Å; E375-R389 IonicContact OE1-NH1 2.69Å; E375-R389 PolarHBondContact OE1-NH1 3.11Å; E375-R389 IonicContact OE1-NH2 3.31Å; E375-R389 PolarHBondContact OE1-NH2 2.94Å; E375-R389 IonicContact OE2-CZ 3.89Å; E375-R389 IonicContact OE2-NH1 3.04Å; E375-R389 PolarHBondContact OE2-NH1 3.18Å; E375-R389 IonicContact OE2-NH2 3.8Å; L386-R389 VanDerWaalsContact O-CB 3.3Å; L386-R389 WeakPolarHBondContact O-CB 3.46Å; L386-R389 PolarHBondContact O-N 3.43Å; R389-G391 PolarHBondContact NE-O 3.13Å; R389-R393 CarbonylContact C-O 3.58Å; R389-R393 VanDerWaalsContact CA-O 3.31Å; R389-R393 WeakPolarHBondContact CA-O 3.39Å; R389-I394 HydrophobicContact CB-CD1 3.73Å; R389-I394 HydrophobicContact CG-CD1 4.01Å | ||
| 390 | V | 90.5 | Very high | 90.6 | Very high | 15 Ų | 15 | 38.2 Ų | 38.2 | 9% | 0.091 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -138.1 | 109.4 | 166.4 | -174.6 | 0 | 0 | 0 | 0 | 107.4 | V353 L357 I358 D392 R393 L395 | V353-V390 HydrophobicContact CG1-CB 3.97Å; V353-V390 HydrophobicContact CG1-CG1 3.53Å; L357-V390 HydrophobicContact CB-CG1 3.89Å; I358-V390 HydrophobicContact CG1-CG1 3.99Å; V390-D392 PolarHBondContact O-N 2.57Å; V390-R393 PolarHBondContact N-O 3.49Å; V390-R393 WeakPolarHBondContact O-CB 3.16Å; V390-R393 PolarHBondContact O-N 3.24Å; V390-L395 HydrophobicContact CG2-CD1 3.91Å |
| 391 | G | 89.9 | Confident | 91.1 | Very high | 32 Ų | 32 | 31.2 Ų | 31.2 | 33% | 0.33 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | -126.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R389 R393 | R389-G391 PolarHBondContact NE-O 3.13Å; G391-R393 VanDerWaalsContact C-N 3.3Å |
| 392 | D | 90.8 | Very high | 91.6 | Very high | 72 Ų | 72 | 28.2 Ų | 28.2 | 39% | 0.385 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -4.6 | 173.4 | 76.9 | -52.2 | 0 | 0 | 0 | 113.3 | S305 V306 V390 | S305-D392 CarbonylContact C-O 3.5Å; S305-D392 VanDerWaalsContact CA-O 3.3Å; S305-D392 WeakPolarHBondContact CA-O 3.42Å; V306-D392 PolarHBondContact N-O 3.01Å; V390-D392 PolarHBondContact O-N 2.57Å |
| 393 | R | 92.3 | Very high | 91.9 | Very high | 38 Ų | 38 | 28.2 Ų | 28.2 | 14% | 0.143 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 147.1 | -174.6 | -59.8 | -67.5 | 144.1 | 153.1 | -4.1 | 113 | Q209 W304 V353 R389 V390 G391 | Q209-R393 VanDerWaalsContact OE1-NH1 3.14Å; W304-R393 WeakPolarHBondContact O-CA 3.48Å; V353-R393 HydrophobicContact CG2-CB 4.16Å; V353-R393 HydrophobicContact CG2-CG 4.19Å; R389-R393 CarbonylContact C-O 3.58Å; R389-R393 VanDerWaalsContact CA-O 3.31Å; R389-R393 WeakPolarHBondContact CA-O 3.39Å; V390-R393 PolarHBondContact N-O 3.49Å; V390-R393 WeakPolarHBondContact O-CB 3.16Å; V390-R393 PolarHBondContact O-N 3.24Å; G391-R393 VanDerWaalsContact C-N 3.3Å |
| 394 | I | 93.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 142 | 166.4 | -61.5 | -67.1 | 0 | 0 | 0 | 107.5 | S303 W304 V306 Q382 F385 R389 | S303-I394 WeakPolarHBondContact CA-O 3.14Å; S303-I394 WeakPolarHBondContact CB-O 3.22Å; W304-I394 HydrophobicContact CD2-CB 4.28Å; W304-I394 HydrophobicContact CD2-CG2 4.23Å; W304-I394 VanDerWaalsContact CE2-CG2 3.44Å; W304-I394 HydrophobicContact CG-CB 4.37Å; W304-I394 HydrophobicContact CH2-CG2 4.24Å; W304-I394 HydrophobicContact CZ2-CB 4.36Å; W304-I394 HydrophobicContact CZ2-CG2 3.46Å; W304-I394 VanDerWaalsContact CZ2-CG2 3.46Å; W304-I394 PolarHBondContact N-O 3.32Å; W304-I394 VanDerWaalsContact N-O 3.12Å; W304-I394 PolarHBondContact O-N 3.2Å; V306-I394 HydrophobicContact CG1-CD1 3.97Å; V306-I394 HydrophobicContact CG1-CG1 3.9Å; Q382-I394 HydrophobicContact CB-CD1 4.35Å; Q382-I394 HydrophobicContact CG-CD1 4Å; Q382-I394 HydrophobicContact CG-CG1 3.95Å; F385-I394 HydrophobicContact CB-CG2 3.59Å; F385-I394 HydrophobicContact CG-CG2 4.39Å; R389-I394 HydrophobicContact CB-CD1 3.73Å; R389-I394 HydrophobicContact CG-CD1 4.01Å |
| 395 | L | 94.8 | Very high | 92.7 | Very high | 4 Ų | 4 | 20.7 Ų | 20.7 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 124.9 | -174.8 | -68.8 | 155.9 | 0 | 0 | 0 | 111.2 | E302 Y339 L343 L351 V353 S388 V390 | E302-L395 WeakPolarHBondContact O-CA 3.4Å; Y339-L395 PolarHBondContact N-O 2.95Å; L343-L395 HydrophobicContact CD1-CD1 3.8Å; L351-L395 HydrophobicContact CB-CD2 4.17Å; L351-L395 HydrophobicContact CD1-CD2 3.95Å; L351-L395 HydrophobicContact CD2-CD2 4.48Å; L351-L395 HydrophobicContact CG-CD2 4.42Å; V353-L395 HydrophobicContact CG2-CD1 4.41Å; V353-L395 HydrophobicContact CG2-CD2 4.05Å; S388-L395 WeakPolarHBondContact CB-O 3.39Å; S388-L395 PolarHBondContact OG-N 3.09Å; S388-L395 PolarHBondContact OG-O 2.88Å; V390-L395 HydrophobicContact CG2-CD1 3.91Å |
| 396 | G | 93.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 147.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I301 E302 E337 | I301-G396 CarbonylContact C-O 3.57Å; I301-G396 WeakPolarHBondContact CA-O 3.31Å; E302-G396 PolarHBondContact N-O 2.95Å; E302-G396 PolarHBondContact O-N 3.2Å; E337-G396 CarbonylContact O-C 3.56Å; E337-G396 VanDerWaalsContact O-CA 3.25Å; E337-G396 WeakPolarHBondContact O-CA 3.45Å |
| 397 | V | 94.1 | Very high | 92.3 | Very high | 12 Ų | 12 | 24.4 Ų | 24.4 | 7% | 0.073 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 133.5 | 170.4 | 61.3 | 0 | 0 | 0 | 0 | 110.3 | L19 S300 I301 Y336 E337 Y339 | L19-V397 HydrophobicContact CB-CG2 3.76Å; L19-V397 HydrophobicContact CD2-CG2 3.94Å; L19-V397 HydrophobicContact CG-CG2 4.44Å; S300-V397 WeakPolarHBondContact O-CA 3.44Å; I301-V397 HydrophobicContact CG1-CG2 4.31Å; Y336-V397 CarbonylContact C-O 3.58Å; Y336-V397 VanDerWaalsContact CA-O 3.27Å; Y336-V397 WeakPolarHBondContact CA-O 3.37Å; E337-V397 HydrophobicContact CB-CG1 4.22Å; E337-V397 PolarHBondContact N-O 2.57Å; E337-V397 PolarHBondContact O-N 3.11Å; Y339-V397 HydrophobicContact CD2-CB 3.96Å; Y339-V397 HydrophobicContact CD2-CG1 4.09Å |
| 398 | T | 93.7 | Very high | 92.1 | Very high | 6 Ų | 6 | 23 Ų | 23 | 4% | 0.037 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 134.7 | 179.9 | 55.7 | 0 | 0 | 0 | 0 | 112.3 | A299 S300 F335 Y336 | A299-T398 WeakPolarHBondContact CA-OG1 3.18Å; S300-T398 PolarHBondContact N-OG1 2.91Å; S300-T398 PolarHBondContact O-N 3.07Å; S300-T398 PolarHBondContact O-OG1 3.3Å; S300-T398 WeakPolarHBondContact OG-CG2 3.4Å; F335-T398 WeakPolarHBondContact O-CA 3.29Å; Y336-T398 HydrophobicContact CD1-CG2 3.79Å; Y336-T398 HydrophobicContact CE1-CG2 3.4Å; Y336-T398 VanDerWaalsContact CE1-CG2 3.4Å |
| 399 | K | 94.3 | Very high | 91.8 | Very high | 48 Ų | 48 | 23.1 Ų | 23.1 | 21% | 0.209 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 159.2 | 161.5 | -72.1 | -162.3 | -163.6 | 160 | 0 | 111.2 | I16 C17 L219 T334 F335 E337 | I16-K399 HydrophobicContact CG2-CD 4.47Å; C17-K399 CarbonylContact O-C 3.57Å; C17-K399 VanDerWaalsContact O-CA 3.32Å; C17-K399 WeakPolarHBondContact O-CA 3.25Å; L219-K399 HydrophobicContact CD1-CD 4.24Å; T334-K399 WeakPolarHBondContact CA-O 3.4Å; F335-K399 HydrophobicContact CD1-CB 4.48Å; F335-K399 VanDerWaalsContact CD1-O 3.26Å; F335-K399 WeakPolarHBondContact CD1-O 3.46Å; F335-K399 HydrophobicContact CE1-CB 3.79Å; F335-K399 HydrophobicContact CE2-CB 4.15Å; F335-K399 HydrophobicContact CZ-CB 3.61Å; F335-K399 HydrophobicContact CZ-CD 4.43Å; F335-K399 PolarHBondContact N-O 3.27Å; F335-K399 PolarHBondContact O-N 3.02Å; F335-K399 VanDerWaalsContact O-O 3.06Å; E337-K399 VanDerWaalsContact CD-CE 3.41Å; E337-K399 VanDerWaalsContact OE1-CD 3.3Å; E337-K399 WeakPolarHBondContact OE1-CD 3.21Å; E337-K399 WeakPolarHBondContact OE1-CE 3.41Å; E337-K399 IonicContact OE1-NZ 2.74Å; E337-K399 PolarHBondContact OE1-NZ 3.5Å; E337-K399 WeakPolarHBondContact OE2-CE 3.38Å; E337-K399 IonicContact OE2-NZ 3.27Å; E337-K399 PolarHBondContact OE2-NZ 3.31Å |
| 400 | T | 96.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 125.8 | 178.2 | -51.2 | 0 | 0 | 0 | 0 | 110.3 | I16 C17 C294 L295 A332 L333 T334 | I16-T400 WeakPolarHBondContact CA-O 3.3Å; C17-T400 PolarHBondContact N-O 3.01Å; C17-T400 PolarHBondContact O-N 3.36Å; C294-T400 HydrophobicContact CB-CG2 3.69Å; C294-T400 PolarHBondContact O-OG1 2.9Å; L295-T400 VanDerWaalsContact CD2-OG1 3.32Å; L295-T400 WeakPolarHBondContact CD2-OG1 3.41Å; A332-T400 HydrophobicContact CB-CG2 3.76Å; L333-T400 WeakPolarHBondContact O-CA 3.48Å; T334-T400 VanDerWaalsContact OG1-CG2 3.3Å; T334-T400 WeakPolarHBondContact OG1-CG2 3.23Å; T334-T400 PolarHBondContact OG1-OG1 3.13Å |
| 401 | L | 95.8 | Very high | 90.8 | Very high | 6 Ų | 6 | 25.6 Ų | 25.6 | 3% | 0.031 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 137.6 | 161.4 | -49 | -174 | 0 | 0 | 0 | 108.2 | F14 I16 A332 L333 F335 L417 L420 L425 | F14-L401 HydrophobicContact CE2-CB 4.3Å; F14-L401 HydrophobicContact CZ-CB 4.23Å; F14-L401 HydrophobicContact CZ-CD2 4.21Å; I16-L401 HydrophobicContact CD1-CD2 4.35Å; I16-L401 HydrophobicContact CG1-CD2 4.08Å; I16-L401 HydrophobicContact CG2-CD2 4.38Å; A332-L401 CarbonylContact C-O 3.56Å; A332-L401 WeakPolarHBondContact CA-O 3.44Å; L333-L401 PolarHBondContact N-O 2.85Å; L333-L401 PolarHBondContact O-N 2.71Å; F335-L401 HydrophobicContact CE1-CD2 3.9Å; F335-L401 HydrophobicContact CE1-CG 3.81Å; F335-L401 HydrophobicContact CZ-CD2 4.24Å; L401-L417 HydrophobicContact CB-CD2 3.76Å; L401-L417 HydrophobicContact CD1-CD2 4.37Å; L401-L420 HydrophobicContact CD1-CB 4.3Å; L401-L425 HydrophobicContact CD1-CD1 4.35Å |
| 402 | C | 96 | Very high | 90.5 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 142 | 179.4 | -173 | 0 | 0 | 0 | 0 | 112.4 | F14 V15 V331 A332 | F14-C402 CarbonylContact C-O 3.56Å; F14-C402 WeakPolarHBondContact CA-O 3.31Å; F14-C402 WeakPolarHBondContact CD2-O 3.35Å; V15-C402 HydrophobicContact CB-CB 4.36Å; V15-C402 PolarHBondContact N-O 3.24Å; V15-C402 PolarHBondContact O-N 3.38Å; V331-C402 CarbonylContact O-C 3.57Å; V331-C402 VanDerWaalsContact O-CA 3.27Å; V331-C402 WeakPolarHBondContact O-CA 3.25Å; V331-C402 PolarHBondContact O-SG 3.23Å; V331-C402 VanDerWaalsContact O-SG 3.37Å; A332-C402 HydrophobicContact CB-CB 4.47Å |
| 403 | I | 95.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 122.9 | 170.3 | -67.1 | 167.1 | 0 | 0 | 0 | 108.1 | A11 F14 G330 V331 F413 F416 L417 | A11-I403 HydrophobicContact CB-CG2 3.46Å; A11-I403 VanDerWaalsContact CB-CG2 3.46Å; F14-I403 HydrophobicContact CD2-CG1 3.87Å; G330-I403 WeakPolarHBondContact CA-O 3.34Å; V331-I403 PolarHBondContact N-O 3.28Å; V331-I403 PolarHBondContact O-N 2.93Å; I403-F413 HydrophobicContact CB-CD2 4.08Å; I403-F413 HydrophobicContact CB-CG 4.42Å; I403-F413 HydrophobicContact CD1-CB 4.17Å; I403-F413 HydrophobicContact CD1-CD1 4.45Å; I403-F413 HydrophobicContact CD1-CG 4.2Å; I403-F413 HydrophobicContact CG2-CD2 3.52Å; I403-F413 HydrophobicContact CG2-CE2 3.57Å; I403-F413 HydrophobicContact CG2-CG 4.09Å; I403-F413 HydrophobicContact CG2-CZ 4.17Å; I403-F416 HydrophobicContact CD1-CD1 3.82Å; I403-F416 HydrophobicContact CD1-CE1 4.34Å; I403-L417 HydrophobicContact CD1-CD2 3.82Å; I403-L417 HydrophobicContact CD1-CG 4.01Å; I403-L417 HydrophobicContact CG1-CD2 4.04Å; I403-L417 HydrophobicContact CG1-CG 4.47Å |
| 404 | L | 93.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 126 | 174.6 | -56.7 | -176 | 0 | 0 | 0 | 110 | A11 E12 Y13 V15 P285 I287 V290 F318 L328 Y329 | A11-L404 WeakPolarHBondContact CB-O 3.21Å; E12-L404 PolarHBondContact N-O 3.11Å; Y13-L404 HydrophobicContact CD2-CB 4.02Å; Y13-L404 HydrophobicContact CD2-CD1 3.95Å; Y13-L404 HydrophobicContact CG-CD1 4.25Å; Y13-L404 PolarHBondContact N-O 3.19Å; Y13-L404 PolarHBondContact O-N 2.92Å; V15-L404 HydrophobicContact CG2-CD1 4.13Å; V15-L404 HydrophobicContact CG2-CG 4.24Å; P285-L404 HydrophobicContact CG-CD1 4.46Å; I287-L404 HydrophobicContact CD1-CD1 3.93Å; V290-L404 HydrophobicContact CG1-CD1 4.21Å; V290-L404 HydrophobicContact CG1-CD2 4.06Å; V290-L404 HydrophobicContact CG2-CD1 3.91Å; F318-L404 HydrophobicContact CE2-CD2 3.99Å; F318-L404 HydrophobicContact CZ-CD2 3.81Å; L328-L404 HydrophobicContact CD2-CB 4Å; L328-L404 HydrophobicContact CD2-CD1 4Å; L328-L404 HydrophobicContact CD2-CG 4.47Å; L328-L404 HydrophobicContact CG-CB 4.19Å; Y329-L404 WeakPolarHBondContact O-CA 3.24Å |
| 405 | S | 90.9 | Very high | 90 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 146 | 179.4 | -179.1 | 0 | 0 | 0 | 0 | 112.7 | L10 E12 L328 Y329 W407 | L10-S405 VanDerWaalsContact O-CB 3.28Å; L10-S405 WeakPolarHBondContact O-CB 3.39Å; L10-S405 PolarHBondContact O-OG 2.74Å; E12-S405 VanDerWaalsContact OE2-CA 3.24Å; E12-S405 WeakPolarHBondContact OE2-CA 3.19Å; L328-S405 CarbonylContact C-O 3.59Å; Y329-S405 WeakPolarHBondContact CD2-O 3.3Å; Y329-S405 PolarHBondContact N-O 3.2Å; Y329-S405 PolarHBondContact O-N 2.79Å; S405-W407 PolarHBondContact O-N 3.22Å; S405-W407 PolarHBondContact OG-N 3.39Å; S405-W407 PolarHBondContact OG-O 3.18Å |
| 406 | R | 85 | Confident | 89.7 | Confident | 95 Ų | 95 | 23 Ų | 23 | 36% | 0.358 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -62.2 | -13 | 163.3 | -80.9 | 177 | -81.8 | -157.4 | -2.9 | 113.9 | E12 L283 L328 Y329 | E12-R406 IonicContact OE1-CZ 3.07Å; E12-R406 IonicContact OE1-NE 3.2Å; E12-R406 PolarHBondContact OE1-NE 3Å; E12-R406 IonicContact OE1-NH2 3.34Å; E12-R406 PolarHBondContact OE1-NH2 3.18Å; E12-R406 PolarHBondContact OE2-N 2.76Å; E12-R406 IonicContact OE2-NE 2.97Å; L283-R406 HydrophobicContact CD1-CG 3.8Å; L328-R406 HydrophobicContact CD1-CG 4.24Å; Y329-R406 WeakPolarHBondContact CE2-O 3.39Å |
| 407 | W | 85 | Confident | 89.7 | Confident | 51 Ų | 51 | 23 Ų | 23 | 19% | 0.193 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -117 | 139.4 | -172.1 | -53.4 | 102.2 | 0 | 0 | 0 | 112.1 | E8 R9 S405 F409 F448 P470 D472 | E8-W407 HydrophobicContact CG-CZ2 4.32Å; R9-W407 PolarHBondContact O-NE1 2.95Å; S405-W407 PolarHBondContact O-N 3.22Å; S405-W407 PolarHBondContact OG-N 3.39Å; S405-W407 PolarHBondContact OG-O 3.18Å; W407-F409 HydrophobicContact CB-CD2 3.55Å; W407-F409 HydrophobicContact CB-CE2 3.34Å; W407-F409 HydrophobicContact CB-CG 4.47Å; W407-F409 HydrophobicContact CB-CZ 4.11Å; W407-F409 AromaticContact CG-CE2 3.87Å; W407-F409 HydrophobicContact CG-CE2 3.87Å; W407-F409 PolarHBondContact O-N 2.73Å; W407-F448 AromaticContact CD1-CE2 3.57Å; W407-F448 AromaticContact CD2-CE2 3.88Å; W407-F448 HydrophobicContact CD2-CE2 3.88Å; W407-F448 AromaticContact CD2-CZ 3.7Å; W407-F448 HydrophobicContact CD2-CZ 3.7Å; W407-F448 AromaticContact CE2-CE2 3.65Å; W407-F448 AromaticContact CE2-CZ 3.49Å; W407-F448 VanDerWaalsContact CE2-CZ 3.49Å; W407-F448 HydrophobicContact CE3-CZ 4.14Å; W407-F448 AromaticContact CG-CE2 3.81Å; W407-F448 HydrophobicContact CG-CE2 3.81Å; W407-F448 HydrophobicContact CG-CZ 4.13Å; W407-F448 HydrophobicContact CH2-CZ 4.17Å; W407-F448 HydrophobicContact CZ2-CE1 4.43Å; W407-F448 HydrophobicContact CZ2-CE2 4.29Å; W407-F448 AromaticContact CZ2-CZ 3.74Å; W407-F448 HydrophobicContact CZ2-CZ 3.74Å; W407-F448 HydrophobicContact CZ3-CZ 4.35Å; W407-F448 AromaticContact NE1-CE2 3.44Å; W407-F448 AromaticContact NE1-CZ 3.8Å; W407-P470 HydrophobicContact CB-CG 4.28Å; W407-P470 HydrophobicContact CE3-CG 4.15Å; W407-D472 WeakPolarHBondContact CZ3-OD1 3.48Å |
| 408 | S | 83.7 | Confident | 89.3 | Confident | 39 Ų | 39 | 22.5 Ų | 22.5 | 27% | 0.273 | 11% | 0.113 | S | C | . | . | trans | -80.6 | 53.9 | -174.9 | -163.1 | 0 | 0 | 0 | 0 | 113.7 | T410 | S408-T410 PolarHBondContact O-N 3.27Š| ||
| 409 | F | 85.3 | Confident | 88.9 | Confident | 6 Ų | 6 | 22.2 Ų | 22.2 | 3% | 0.026 | 11% | 0.111 | C | C | . | . | trans | -77.7 | 42 | 175.7 | -60.1 | -69.4 | 0 | 0 | 0 | 113 | L10 W407 L411 P412 F413 F448 P449 I467 Q468 P470 | L10-F409 HydrophobicContact CD2-CD2 4.5Å; L10-F409 HydrophobicContact CD2-CE2 3.86Å; L10-F409 HydrophobicContact CD2-CZ 3.86Å; W407-F409 HydrophobicContact CB-CD2 3.55Å; W407-F409 HydrophobicContact CB-CE2 3.34Å; W407-F409 HydrophobicContact CB-CG 4.47Å; W407-F409 HydrophobicContact CB-CZ 4.11Å; W407-F409 AromaticContact CG-CE2 3.87Å; W407-F409 HydrophobicContact CG-CE2 3.87Å; W407-F409 PolarHBondContact O-N 2.73Å; F409-L411 PolarHBondContact O-N 2.89Å; F409-P412 HydrophobicContact CB-CB 4.4Å; F409-P412 HydrophobicContact CB-CG 4.39Å; F409-P412 VanDerWaalsContact O-CD 3.32Å; F409-P412 WeakPolarHBondContact O-CD 3.27Å; F409-F413 HydrophobicContact CB-CD1 4Å; F409-F413 HydrophobicContact CB-CD2 3.97Å; F409-F413 HydrophobicContact CB-CE1 3.71Å; F409-F413 HydrophobicContact CB-CE2 3.69Å; F409-F413 HydrophobicContact CB-CG 4.13Å; F409-F413 HydrophobicContact CB-CZ 3.55Å; F409-F413 HydrophobicContact CD2-CE1 4.17Å; F409-F413 HydrophobicContact CD2-CE2 4Å; F409-F413 AromaticContact CD2-CZ 3.49Å; F409-F413 HydrophobicContact CD2-CZ 3.49Å; F409-F413 VanDerWaalsContact CD2-CZ 3.49Å; F409-F413 HydrophobicContact CE2-CZ 4.49Å; F409-F413 HydrophobicContact CG-CE1 4.22Å; F409-F413 HydrophobicContact CG-CE2 4.35Å; F409-F413 AromaticContact CG-CZ 3.91Å; F409-F413 HydrophobicContact CG-CZ 3.91Å; F409-F413 WeakPolarHBondContact O-CB 3.1Å; F409-F413 WeakPolarHBondContact O-CG 3.25Å; F409-F413 PolarHBondContact O-N 3.07Å; F409-F448 HydrophobicContact CE2-CD2 4.25Å; F409-F448 AromaticContact CE2-CE2 3.67Å; F409-F448 HydrophobicContact CE2-CE2 3.67Å; F409-F448 HydrophobicContact CZ-CD2 4.08Å; F409-F448 AromaticContact CZ-CE2 3.5Å; F409-F448 HydrophobicContact CZ-CE2 3.5Å; F409-F448 VanDerWaalsContact CZ-CE2 3.5Å; F409-F448 HydrophobicContact CZ-CZ 4.08Å; F409-P449 HydrophobicContact CE1-CG 4.1Å; F409-P449 HydrophobicContact CZ-CG 4.11Å; F409-I467 HydrophobicContact CD1-CG2 3.69Å; F409-I467 HydrophobicContact CE1-CG2 3.49Å; F409-I467 VanDerWaalsContact CE1-CG2 3.49Å; F409-I467 HydrophobicContact CZ-CG2 4.19Å; F409-Q468 VanDerWaalsContact CE1-O 3.31Å; F409-Q468 WeakPolarHBondContact CE1-O 3.49Å; F409-P470 HydrophobicContact CD1-CG 4.41Å; F409-P470 HydrophobicContact CE1-CG 3.99Å; F409-P470 HydrophobicContact CZ-CG 4.2Å | ||
| 410 | T | 82.3 | Confident | 88.6 | Confident | 30 Ų | 30 | 20 Ų | 20 | 18% | 0.184 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -50.4 | -52 | -173.2 | -72.6 | 0 | 0 | 0 | 0 | 113.5 | T317 S408 S414 | T317-T410 WeakPolarHBondContact OG1-CG2 3.46Å; T317-T410 PolarHBondContact OG1-OG1 3.42Å; T317-T410 VanDerWaalsContact OG1-OG1 3.06Å; S408-T410 PolarHBondContact O-N 3.27Å; T410-S414 VanDerWaalsContact O-CB 3.3Å; T410-S414 WeakPolarHBondContact O-CB 3.48Å; T410-S414 PolarHBondContact O-N 2.95Å |
| 411 | L | 80.1 | Confident | 88.1 | Confident | 98 Ų | 98 | 20.2 Ų | 20.2 | 51% | 0.513 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -70.2 | -48.6 | -177.8 | 178 | 63.4 | 0 | 0 | 0 | 112.7 | F409 F413 S414 N415 | F409-L411 PolarHBondContact O-N 2.89Å; L411-F413 VanDerWaalsContact C-N 3.32Å; L411-F413 PolarHBondContact O-N 3.22Å; L411-S414 PolarHBondContact O-N 2.89Å; L411-N415 WeakPolarHBondContact O-CB 3.38Å; L411-N415 VanDerWaalsContact O-CG 3.24Å; L411-N415 PolarHBondContact O-N 2.97Å |
| 412 | P | 84.9 | Confident | 87.4 | Confident | 16 Ų | 16 | 20.4 Ų | 20.4 | 10% | 0.104 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -53.5 | -44 | 172.8 | -30 | 35.2 | 0 | 0 | 0 | 114.4 | F409 N415 F416 I465 I467 | F409-P412 HydrophobicContact CB-CB 4.4Å; F409-P412 HydrophobicContact CB-CG 4.39Å; F409-P412 VanDerWaalsContact O-CD 3.32Å; F409-P412 WeakPolarHBondContact O-CD 3.27Å; P412-N415 PolarHBondContact O-N 2.74Å; P412-F416 PolarHBondContact O-N 3.05Å; P412-I465 HydrophobicContact CB-CG2 3.79Å; P412-I467 HydrophobicContact CB-CG1 4.16Å |
| 413 | F | 91.7 | Very high | 86.5 | Confident | 1 Ų | 1 | 22.1 Ų | 22.1 | 0% | 0.004 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -74.2 | -38.2 | -178.3 | -65.1 | -8.8 | 0 | 0 | 0 | 112.3 | L10 A11 V331 I403 F409 L411 N415 F416 L417 F442 | L10-F413 HydrophobicContact CB-CE1 4.37Å; L10-F413 HydrophobicContact CB-CZ 4.18Å; L10-F413 VanDerWaalsContact O-CZ 3.27Å; L10-F413 WeakPolarHBondContact O-CZ 3.4Å; A11-F413 HydrophobicContact CB-CE2 4.45Å; A11-F413 HydrophobicContact CB-CZ 4.37Å; V331-F413 HydrophobicContact CB-CB 3.87Å; V331-F413 HydrophobicContact CB-CD2 4.35Å; V331-F413 HydrophobicContact CG1-CB 3.83Å; V331-F413 HydrophobicContact CG2-CB 4.01Å; V331-F413 HydrophobicContact CG2-CD2 3.91Å; V331-F413 HydrophobicContact CG2-CG 4.47Å; I403-F413 HydrophobicContact CB-CD2 4.08Å; I403-F413 HydrophobicContact CB-CG 4.42Å; I403-F413 HydrophobicContact CD1-CB 4.17Å; I403-F413 HydrophobicContact CD1-CD1 4.45Å; I403-F413 HydrophobicContact CD1-CG 4.2Å; I403-F413 HydrophobicContact CG2-CD2 3.52Å; I403-F413 HydrophobicContact CG2-CE2 3.57Å; I403-F413 HydrophobicContact CG2-CG 4.09Å; I403-F413 HydrophobicContact CG2-CZ 4.17Å; F409-F413 HydrophobicContact CB-CD1 4Å; F409-F413 HydrophobicContact CB-CD2 3.97Å; F409-F413 HydrophobicContact CB-CE1 3.71Å; F409-F413 HydrophobicContact CB-CE2 3.69Å; F409-F413 HydrophobicContact CB-CG 4.13Å; F409-F413 HydrophobicContact CB-CZ 3.55Å; F409-F413 HydrophobicContact CD2-CE1 4.17Å; F409-F413 HydrophobicContact CD2-CE2 4Å; F409-F413 AromaticContact CD2-CZ 3.49Å; F409-F413 HydrophobicContact CD2-CZ 3.49Å; F409-F413 VanDerWaalsContact CD2-CZ 3.49Å; F409-F413 HydrophobicContact CE2-CZ 4.49Å; F409-F413 HydrophobicContact CG-CE1 4.22Å; F409-F413 HydrophobicContact CG-CE2 4.35Å; F409-F413 AromaticContact CG-CZ 3.91Å; F409-F413 HydrophobicContact CG-CZ 3.91Å; F409-F413 WeakPolarHBondContact O-CB 3.1Å; F409-F413 WeakPolarHBondContact O-CG 3.25Å; F409-F413 PolarHBondContact O-N 3.07Å; L411-F413 VanDerWaalsContact C-N 3.32Å; L411-F413 PolarHBondContact O-N 3.22Å; F413-N415 VanDerWaalsContact C-N 3.27Å; F413-N415 PolarHBondContact O-N 3.41Å; F413-F416 PolarHBondContact O-N 3.37Å; F413-L417 WeakPolarHBondContact O-CB 3.35Å; F413-L417 VanDerWaalsContact O-CG 3.3Å; F413-L417 WeakPolarHBondContact O-CG 3.49Å; F413-L417 PolarHBondContact O-N 2.86Å; F413-F442 AromaticContact CD1-CE1 3.62Å; F413-F442 HydrophobicContact CD1-CE1 3.62Å; F413-F442 AromaticContact CD1-CZ 3.71Å; F413-F442 HydrophobicContact CD1-CZ 3.71Å; F413-F442 AromaticContact CE1-CE1 3.53Å; F413-F442 HydrophobicContact CE1-CE1 3.53Å; F413-F442 AromaticContact CE1-CZ 3.79Å; F413-F442 HydrophobicContact CE1-CZ 3.79Å |
| 414 | S | 87.9 | Confident | 85.5 | Confident | 18 Ų | 18 | 24.2 Ų | 24.2 | 13% | 0.126 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60 | -38.8 | 172 | -172.6 | 0 | 0 | 0 | 0 | 111.8 | S315 T410 L411 G418 | S315-S414 WeakPolarHBondContact CB-OG 3.43Å; S315-S414 PolarHBondContact OG-OG 2.82Å; T410-S414 VanDerWaalsContact O-CB 3.3Å; T410-S414 WeakPolarHBondContact O-CB 3.48Å; T410-S414 PolarHBondContact O-N 2.95Å; L411-S414 PolarHBondContact O-N 2.89Å; S414-G418 PolarHBondContact O-N 3.22Å |
| 415 | N | 85 | Confident | 84.5 | Confident | 58 Ų | 58 | 27.8 Ų | 27.8 | 31% | 0.31 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -68.6 | -43.1 | 175.6 | -68.1 | -8.8 | 0 | 0 | 0 | 112.1 | L411 P412 F413 G418 F419 I465 F645 | L411-N415 WeakPolarHBondContact O-CB 3.38Å; L411-N415 VanDerWaalsContact O-CG 3.24Å; L411-N415 PolarHBondContact O-N 2.97Å; P412-N415 PolarHBondContact O-N 2.74Å; F413-N415 VanDerWaalsContact C-N 3.27Å; F413-N415 PolarHBondContact O-N 3.41Å; N415-G418 PolarHBondContact O-N 2.69Å; N415-F419 PolarHBondContact O-N 3.01Å; N415-I465 HydrophobicContact CB-CD1 3.69Å; N415-I465 HydrophobicContact CB-CG1 4Å; N415-F645 WeakPolarHBondContact O-CZ 3.48Å |
| 416 | F | 90.1 | Very high | 83.5 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68 | -41.9 | 179 | 176.8 | -117.8 | 0 | 0 | 0 | 112.4 | I403 P412 F413 G418 F419 L420 L439 F442 L460 I465 | I403-F416 HydrophobicContact CD1-CD1 3.82Å; I403-F416 HydrophobicContact CD1-CE1 4.34Å; P412-F416 PolarHBondContact O-N 3.05Å; F413-F416 PolarHBondContact O-N 3.37Å; F416-G418 VanDerWaalsContact C-N 3.29Å; F416-G418 PolarHBondContact O-N 3.49Å; F416-F419 HydrophobicContact CD2-CD1 4.33Å; F416-F419 HydrophobicContact CE2-CD1 4.34Å; F416-F419 WeakPolarHBondContact O-CB 3.46Å; F416-F419 PolarHBondContact O-N 2.8Å; F416-L420 HydrophobicContact CD1-CD1 3.97Å; F416-L420 HydrophobicContact CD2-CG 4.43Å; F416-L420 HydrophobicContact CE1-CD1 3.47Å; F416-L420 VanDerWaalsContact CE1-CD1 3.47Å; F416-L420 HydrophobicContact CE1-CG 4.18Å; F416-L420 HydrophobicContact CE2-CD1 4.21Å; F416-L420 HydrophobicContact CE2-CD2 4.13Å; F416-L420 HydrophobicContact CE2-CG 4.01Å; F416-L420 HydrophobicContact CZ-CD1 3.6Å; F416-L420 HydrophobicContact CZ-CD2 3.94Å; F416-L420 HydrophobicContact CZ-CG 3.86Å; F416-L420 WeakPolarHBondContact O-CG 3.26Å; F416-L420 PolarHBondContact O-N 2.89Å; F416-L439 HydrophobicContact CE1-CD1 4.43Å; F416-F442 HydrophobicContact CB-CD2 4.24Å; F416-F442 HydrophobicContact CB-CE1 4.38Å; F416-F442 HydrophobicContact CB-CE2 3.79Å; F416-F442 HydrophobicContact CB-CZ 3.88Å; F416-F442 HydrophobicContact CD1-CB 4.23Å; F416-F442 AromaticContact CD1-CD1 3.48Å; F416-F442 HydrophobicContact CD1-CD1 3.48Å; F416-F442 VanDerWaalsContact CD1-CD1 3.48Å; F416-F442 AromaticContact CD1-CD2 3.9Å; F416-F442 HydrophobicContact CD1-CD2 3.9Å; F416-F442 AromaticContact CD1-CE1 3.71Å; F416-F442 HydrophobicContact CD1-CE1 3.71Å; F416-F442 HydrophobicContact CD1-CE2 4.12Å; F416-F442 AromaticContact CD1-CG 3.59Å; F416-F442 HydrophobicContact CD1-CG 3.59Å; F416-F442 HydrophobicContact CD1-CZ 4.04Å; F416-F442 HydrophobicContact CD2-CB 4.34Å; F416-F442 AromaticContact CD2-CD2 3.56Å; F416-F442 HydrophobicContact CD2-CD2 3.56Å; F416-F442 AromaticContact CD2-CE2 3.98Å; F416-F442 HydrophobicContact CD2-CE2 3.98Å; F416-F442 AromaticContact CD2-CG 3.93Å; F416-F442 HydrophobicContact CD2-CG 3.93Å; F416-F442 HydrophobicContact CE1-CB 3.59Å; F416-F442 AromaticContact CE1-CD1 3.54Å; F416-F442 HydrophobicContact CE1-CD1 3.54Å; F416-F442 HydrophobicContact CE1-CD2 4.12Å; F416-F442 HydrophobicContact CE1-CE1 4.24Å; F416-F442 AromaticContact CE1-CG 3.47Å; F416-F442 HydrophobicContact CE1-CG 3.47Å; F416-F442 VanDerWaalsContact CE1-CG 3.47Å; F416-F442 HydrophobicContact CE2-CB 3.73Å; F416-F442 AromaticContact CE2-CD2 3.81Å; F416-F442 HydrophobicContact CE2-CD2 3.81Å; F416-F442 AromaticContact CE2-CG 3.82Å; F416-F442 HydrophobicContact CE2-CG 3.82Å; F416-F442 HydrophobicContact CG-CD1 4.06Å; F416-F442 AromaticContact CG-CD2 3.61Å; F416-F442 HydrophobicContact CG-CD2 3.61Å; F416-F442 HydrophobicContact CG-CE1 4.11Å; F416-F442 AromaticContact CG-CE2 3.69Å; F416-F442 HydrophobicContact CG-CE2 3.69Å; F416-F442 AromaticContact CG-CG 3.82Å; F416-F442 HydrophobicContact CG-CG 3.82Å; F416-F442 AromaticContact CG-CZ 3.94Å; F416-F442 HydrophobicContact CG-CZ 3.94Å; F416-F442 HydrophobicContact CZ-CB 3.31Å; F416-F442 HydrophobicContact CZ-CD1 4.16Å; F416-F442 HydrophobicContact CZ-CD2 4.09Å; F416-F442 AromaticContact CZ-CG 3.6Å; F416-F442 HydrophobicContact CZ-CG 3.6Å; F416-L460 HydrophobicContact CD2-CD1 3.8Å; F416-L460 HydrophobicContact CE2-CD1 4.47Å; F416-I465 HydrophobicContact CB-CD1 3.81Å |
| 417 | L | 92.2 | Very high | 82.4 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.5 | -39.6 | 171.8 | -68.1 | -179 | 0 | 0 | 0 | 111.3 | F14 V331 L333 L401 I403 F413 F419 L420 Y421 | F14-L417 HydrophobicContact CE2-CD2 3.85Å; V331-L417 WeakPolarHBondContact O-CD1 3.3Å; L333-L417 HydrophobicContact CB-CB 3.82Å; L333-L417 HydrophobicContact CB-CD1 3.93Å; L333-L417 HydrophobicContact CB-CG 4.49Å; L333-L417 HydrophobicContact CD2-CB 3.93Å; L333-L417 VanDerWaalsContact CD2-O 3.3Å; L333-L417 WeakPolarHBondContact CD2-O 3.48Å; L333-L417 HydrophobicContact CG-CB 4.42Å; L401-L417 HydrophobicContact CB-CD2 3.76Å; L401-L417 HydrophobicContact CD1-CD2 4.37Å; I403-L417 HydrophobicContact CD1-CD2 3.82Å; I403-L417 HydrophobicContact CD1-CG 4.01Å; I403-L417 HydrophobicContact CG1-CD2 4.04Å; I403-L417 HydrophobicContact CG1-CG 4.47Å; F413-L417 WeakPolarHBondContact O-CB 3.35Å; F413-L417 VanDerWaalsContact O-CG 3.3Å; F413-L417 WeakPolarHBondContact O-CG 3.49Å; F413-L417 PolarHBondContact O-N 2.86Å; L417-F419 VanDerWaalsContact C-N 3.35Å; L417-L420 HydrophobicContact CD2-CD1 4.21Å; L417-L420 PolarHBondContact O-N 3.16Å; L417-Y421 WeakPolarHBondContact O-CB 3.4Å; L417-Y421 PolarHBondContact O-N 3.46Å |
| 418 | G | 87 | Confident | 80.9 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.4 | -39.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S414 N415 F416 S422 F645 | S414-G418 PolarHBondContact O-N 3.22Å; N415-G418 PolarHBondContact O-N 2.69Å; F416-G418 VanDerWaalsContact C-N 3.29Å; F416-G418 PolarHBondContact O-N 3.49Å; G418-S422 PolarHBondContact O-N 2.9Å; G418-S422 VanDerWaalsContact O-N 3.07Å; G418-F645 VanDerWaalsContact C-CE2 3.43Å |
| 419 | F | 85.7 | Confident | 79.4 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63 | -49.9 | 172.7 | 168.7 | -93.4 | 0 | 0 | 0 | 111.4 | N415 F416 L417 Y421 S422 R423 Y438 L460 C461 F645 | N415-F419 PolarHBondContact O-N 3.01Å; F416-F419 HydrophobicContact CD2-CD1 4.33Å; F416-F419 HydrophobicContact CE2-CD1 4.34Å; F416-F419 WeakPolarHBondContact O-CB 3.46Å; F416-F419 PolarHBondContact O-N 2.8Å; L417-F419 VanDerWaalsContact C-N 3.35Å; F419-Y421 VanDerWaalsContact C-N 3.3Å; F419-Y421 PolarHBondContact O-N 3.42Å; F419-S422 PolarHBondContact O-N 3.36Å; F419-R423 HydrophobicContact CD2-CG 4.04Å; F419-R423 HydrophobicContact CE2-CG 3.68Å; F419-R423 HydrophobicContact CZ-CB 4.42Å; F419-R423 HydrophobicContact CZ-CG 4.03Å; F419-R423 WeakPolarHBondContact O-CB 3.44Å; F419-R423 PolarHBondContact O-N 3.3Å; F419-Y438 AromaticContact CE1-CD1 3.62Å; F419-Y438 HydrophobicContact CE1-CD1 3.62Å; F419-Y438 HydrophobicContact CE1-CD2 4.24Å; F419-Y438 AromaticContact CE1-CE1 3.66Å; F419-Y438 HydrophobicContact CE1-CE1 3.66Å; F419-Y438 HydrophobicContact CE1-CE2 4.26Å; F419-Y438 AromaticContact CE1-CG 3.91Å; F419-Y438 HydrophobicContact CE1-CG 3.91Å; F419-Y438 AromaticContact CE1-CZ 3.96Å; F419-Y438 AromaticContact CZ-CD1 3.98Å; F419-Y438 HydrophobicContact CZ-CD1 3.98Å; F419-Y438 AromaticContact CZ-CE1 3.52Å; F419-Y438 HydrophobicContact CZ-CE1 3.52Å; F419-Y438 HydrophobicContact CZ-CE2 4.36Å; F419-Y438 AromaticContact CZ-CZ 3.7Å; F419-L460 HydrophobicContact CB-CD1 4.34Å; F419-L460 HydrophobicContact CD1-CD1 4.08Å; F419-L460 HydrophobicContact CD2-CB 3.85Å; F419-L460 HydrophobicContact CD2-CD1 4.43Å; F419-L460 HydrophobicContact CE1-CD2 4.37Å; F419-L460 HydrophobicContact CE2-CB 3.81Å; F419-L460 HydrophobicContact CG-CB 4.27Å; F419-L460 HydrophobicContact CG-CD1 4.02Å; F419-L460 HydrophobicContact CZ-CB 4.21Å; F419-L460 HydrophobicContact CZ-CD2 4.48Å; F419-C461 HydrophobicContact CE2-CB 4.5Å; F419-F645 HydrophobicContact CB-CD1 4.01Å; F419-F645 HydrophobicContact CB-CD2 4.42Å; F419-F645 HydrophobicContact CB-CE1 3.73Å; F419-F645 HydrophobicContact CB-CE2 4.18Å; F419-F645 HydrophobicContact CB-CG 4.35Å; F419-F645 HydrophobicContact CB-CZ 3.83Å; F419-F645 HydrophobicContact CD2-CB 4.47Å; F419-F645 AromaticContact CD2-CD1 3.71Å; F419-F645 HydrophobicContact CD2-CD1 3.71Å; F419-F645 HydrophobicContact CD2-CE1 4.18Å; F419-F645 HydrophobicContact CD2-CG 4.14Å; F419-F645 HydrophobicContact CG-CD1 4.37Å; F419-F645 HydrophobicContact CG-CE1 4.46Å; F419-F645 VanDerWaalsContact N-CE2 3.34Å |
| 420 | L | 87.4 | Confident | 77.6 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.7 | -42.2 | 177.1 | -71.5 | 171.5 | 0 | 0 | 0 | 111.7 | F14 L401 F416 L417 C424 F435 Y438 | F14-L420 HydrophobicContact CE2-CD1 4.41Å; L401-L420 HydrophobicContact CD1-CB 4.3Å; F416-L420 HydrophobicContact CD1-CD1 3.97Å; F416-L420 HydrophobicContact CD2-CG 4.43Å; F416-L420 HydrophobicContact CE1-CD1 3.47Å; F416-L420 VanDerWaalsContact CE1-CD1 3.47Å; F416-L420 HydrophobicContact CE1-CG 4.18Å; F416-L420 HydrophobicContact CE2-CD1 4.21Å; F416-L420 HydrophobicContact CE2-CD2 4.13Å; F416-L420 HydrophobicContact CE2-CG 4.01Å; F416-L420 HydrophobicContact CZ-CD1 3.6Å; F416-L420 HydrophobicContact CZ-CD2 3.94Å; F416-L420 HydrophobicContact CZ-CG 3.86Å; F416-L420 WeakPolarHBondContact O-CG 3.26Å; F416-L420 PolarHBondContact O-N 2.89Å; L417-L420 HydrophobicContact CD2-CD1 4.21Å; L417-L420 PolarHBondContact O-N 3.16Å; L420-C424 WeakPolarHBondContact O-CA 3.24Å; L420-C424 WeakPolarHBondContact O-CB 3.47Å; L420-C424 PolarHBondContact O-N 3.31Å; L420-F435 HydrophobicContact CD1-CE2 4.04Å; L420-F435 HydrophobicContact CD2-CD2 3.95Å; L420-F435 HydrophobicContact CD2-CE2 3.94Å; L420-F435 HydrophobicContact CG-CE2 4.46Å; L420-Y438 HydrophobicContact CD2-CG 4.48Å |
| 421 | Y | 86.4 | Confident | 76 | Confident | 6 Ų | 6 | 43 Ų | 43 | 2% | 0.024 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -62.9 | -51.1 | 176.3 | 172.5 | -102.5 | 0 | 0 | 0 | 112.5 | V313 L333 F335 L417 F419 R423 L425 L426 L641 | V313-Y421 HydrophobicContact CG2-CD1 4.28Å; V313-Y421 HydrophobicContact CG2-CE1 3.55Å; V313-Y421 HydrophobicContact CG2-CE2 4.16Å; V313-Y421 VanDerWaalsContact CG2-CZ 3.47Å; V313-Y421 WeakPolarHBondContact CG2-OH 3.33Å; L333-Y421 HydrophobicContact CD2-CG 4.33Å; F335-Y421 HydrophobicContact CB-CD2 4.07Å; F335-Y421 HydrophobicContact CB-CE2 3.64Å; F335-Y421 HydrophobicContact CD1-CD2 4.43Å; F335-Y421 AromaticContact CD2-CD2 3.97Å; F335-Y421 HydrophobicContact CD2-CD2 3.97Å; F335-Y421 AromaticContact CD2-CE2 3.68Å; F335-Y421 HydrophobicContact CD2-CE2 3.68Å; F335-Y421 AromaticContact CG-CD2 3.91Å; F335-Y421 HydrophobicContact CG-CD2 3.91Å; F335-Y421 AromaticContact CG-CE2 3.78Å; F335-Y421 HydrophobicContact CG-CE2 3.78Å; L417-Y421 WeakPolarHBondContact O-CB 3.4Å; L417-Y421 PolarHBondContact O-N 3.46Å; F419-Y421 VanDerWaalsContact C-N 3.3Å; F419-Y421 PolarHBondContact O-N 3.42Å; Y421-R423 PolarHBondContact O-N 2.86Å; Y421-L425 HydrophobicContact CD2-CB 4.29Å; Y421-L425 HydrophobicContact CD2-CD1 4.09Å; Y421-L425 WeakPolarHBondContact O-CB 3.31Å; Y421-L425 PolarHBondContact O-N 3.4Å; Y421-L426 HydrophobicContact CD1-CD1 4.01Å; Y421-L426 HydrophobicContact CD1-CG 4.34Å; Y421-L426 HydrophobicContact CE1-CD1 3.36Å; Y421-L426 HydrophobicContact CE1-CD2 4.36Å; Y421-L426 HydrophobicContact CE1-CG 3.83Å; Y421-L426 HydrophobicContact CE2-CD2 4.32Å; Y421-L426 HydrophobicContact CE2-CG 4.25Å; Y421-L426 PolarHBondContact O-N 3.27Å; Y421-L426 VanDerWaalsContact O-N 3.09Å; Y421-L641 HydrophobicContact CD1-CD1 4.26Å |
| 422 | S | 79.9 | Confident | 75 | Confident | 10 Ų | 10 | 40.7 Ų | 40.7 | 7% | 0.07 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -68.9 | -34 | -178 | -170.1 | 0 | 0 | 0 | 0 | 113 | G418 F419 D642 | G418-S422 PolarHBondContact O-N 2.9Å; G418-S422 VanDerWaalsContact O-N 3.07Å; F419-S422 PolarHBondContact O-N 3.36Å; S422-D642 PolarHBondContact OG-OD1 3.28Å |
| 423 | R | 76.8 | Confident | 74.2 | Confident | 36 Ų | 36 | 43.9 Ų | 43.9 | 14% | 0.136 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -91.6 | -38.1 | -178.5 | -66.5 | -51.3 | -162.6 | 106.6 | 2.1 | 115.5 | F419 Y421 S427 F645 | F419-R423 HydrophobicContact CD2-CG 4.04Å; F419-R423 HydrophobicContact CE2-CG 3.68Å; F419-R423 HydrophobicContact CZ-CB 4.42Å; F419-R423 HydrophobicContact CZ-CG 4.03Å; F419-R423 WeakPolarHBondContact O-CB 3.44Å; F419-R423 PolarHBondContact O-N 3.3Å; Y421-R423 PolarHBondContact O-N 2.86Å; R423-S427 VanDerWaalsContact O-CB 3.3Å; R423-S427 WeakPolarHBondContact O-CB 3.49Å; R423-F645 VanDerWaalsContact CZ-O 3.27Å; R423-F645 PolarHBondContact NE-O 3.43Å; R423-F645 PolarHBondContact NH2-O 3.27Å |
| 424 | C | 74.8 | Confident | 73.5 | Confident | 43 Ų | 43 | 45.9 Ų | 45.9 | 29% | 0.291 | 25% | 0.25 | S | S | . | . | I | π-helix | trans | -98.2 | -20.1 | -174.7 | -53.7 | 0 | 0 | 0 | 0 | 114 | L420 F435 | L420-C424 WeakPolarHBondContact O-CA 3.24Å; L420-C424 WeakPolarHBondContact O-CB 3.47Å; L420-C424 PolarHBondContact O-N 3.31Å; C424-F435 HydrophobicContact CB-CD2 4.4Å |
| 425 | L | 72.5 | Confident | 73.2 | Confident | 75 Ų | 75 | 47 Ų | 47 | 39% | 0.393 | 25% | 0.253 | S | S | . | . | I | π-helix | trans | -117 | -32.9 | -174.8 | -65.1 | 168.2 | 0 | 0 | 0 | 113.9 | F335 L401 Y421 | F335-L425 HydrophobicContact CE1-CD1 4.25Å; F335-L425 HydrophobicContact CE2-CD1 3.7Å; F335-L425 HydrophobicContact CZ-CD1 3.56Å; L401-L425 HydrophobicContact CD1-CD1 4.35Å; Y421-L425 HydrophobicContact CD2-CB 4.29Å; Y421-L425 HydrophobicContact CD2-CD1 4.09Å; Y421-L425 WeakPolarHBondContact O-CB 3.31Å; Y421-L425 PolarHBondContact O-N 3.4Å |
| 426 | L | 70.7 | Confident | 73.1 | Confident | 33 Ų | 33 | 47.7 Ų | 47.7 | 17% | 0.173 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -93.1 | -16.7 | 178.2 | -69.3 | -173.7 | 0 | 0 | 0 | 115.1 | H384 Y421 N428 D642 | H384-L426 WeakPolarHBondContact CE1-CD2 3.21Å; H384-L426 WeakPolarHBondContact ND1-CD2 3.14Å; Y421-L426 HydrophobicContact CD1-CD1 4.01Å; Y421-L426 HydrophobicContact CD1-CG 4.34Å; Y421-L426 HydrophobicContact CE1-CD1 3.36Å; Y421-L426 HydrophobicContact CE1-CD2 4.36Å; Y421-L426 HydrophobicContact CE1-CG 3.83Å; Y421-L426 HydrophobicContact CE2-CD2 4.32Å; Y421-L426 HydrophobicContact CE2-CG 4.25Å; Y421-L426 PolarHBondContact O-N 3.27Å; Y421-L426 VanDerWaalsContact O-N 3.09Å; L426-N428 PolarHBondContact O-N 3.28Å; L426-D642 VanDerWaalsContact CD1-OD1 3.28Å; L426-D642 WeakPolarHBondContact CD1-OD1 3.24Å |
| 427 | S | 60.7 | Low | 72.8 | Confident | 36 Ų | 36 | 53.1 Ų | 53.1 | 25% | 0.252 | 28% | 0.275 | S | S | . | . | trans | -88.7 | 111.2 | -172.1 | -168.8 | 0 | 0 | 0 | 0 | 112 | R423 N429 N432 | R423-S427 VanDerWaalsContact O-CB 3.3Å; R423-S427 WeakPolarHBondContact O-CB 3.49Å; S427-N429 PolarHBondContact O-N 3.36Å; S427-N429 VanDerWaalsContact O-N 3.16Å; S427-N429 PolarHBondContact OG-N 3.31Å; S427-N432 WeakPolarHBondContact CB-ND2 3.41Å; S427-N432 PolarHBondContact OG-ND2 2.74Å; S427-N432 VanDerWaalsContact OG-ND2 3.08Å | ||
| 428 | N | 54.3 | Low | 72.6 | Confident | 146 Ų | 146 | 54 Ų | 54 | 78% | 0.781 | 28% | 0.278 | S | S | * | . | trans | -70 | 1.4 | 169.4 | -73.4 | 2.2 | 0 | 0 | 0 | 113.6 | L426 | L426-N428 PolarHBondContact O-N 3.28Š| ||
| 429 | N | 52.1 | Low | 72.6 | Confident | 100 Ų | 100 | 54.3 Ų | 54.3 | 54% | 0.535 | 28% | 0.28 | S | S | . | . | trans | -79 | 126.2 | -177 | -61 | 4.8 | 0 | 0 | 0 | 110.2 | S427 D431 N432 | S427-N429 PolarHBondContact O-N 3.36Å; S427-N429 VanDerWaalsContact O-N 3.16Å; S427-N429 PolarHBondContact OG-N 3.31Å; N429-D431 VanDerWaalsContact C-N 3.28Å; N429-D431 PolarHBondContact O-N 2.97Å; N429-N432 PolarHBondContact O-ND2 3.31Å | ||
| 430 | L | 46.6 | Very low | 72.6 | Confident | 122 Ų | 122 | 55.2 Ų | 55.2 | 64% | 0.639 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -17.7 | 179.9 | -73.2 | 157.1 | 0 | 0 | 0 | 113.3 | N432 D2055 | L430-N432 PolarHBondContact O-N 2.82Å; L430-D2055 VanDerWaalsContact CB-OD1 3.32Å; L430-D2055 WeakPolarHBondContact CB-OD1 3.46Å |
| 431 | D | 48.4 | Very low | 72.6 | Confident | 103 Ų | 103 | 58.7 Ų | 58.7 | 55% | 0.551 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | 0.4 | -177 | -43.3 | -72.1 | 0 | 0 | 0 | 115 | N429 | N429-D431 VanDerWaalsContact C-N 3.28Å; N429-D431 PolarHBondContact O-N 2.97Å |
| 432 | N | 60.2 | Low | 72.7 | Confident | 51 Ų | 51 | 58.4 Ų | 58.4 | 27% | 0.273 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -81.5 | 141.1 | -159.4 | -84.3 | -47.4 | 0 | 0 | 0 | 114.7 | S427 N429 L430 | S427-N432 WeakPolarHBondContact CB-ND2 3.41Å; S427-N432 PolarHBondContact OG-ND2 2.74Å; S427-N432 VanDerWaalsContact OG-ND2 3.08Å; N429-N432 PolarHBondContact O-ND2 3.31Å; L430-N432 PolarHBondContact O-N 2.82Å |
| 433 | I | 68.6 | Low | 73 | Confident | 83 Ų | 83 | 58.2 Ų | 58.2 | 43% | 0.426 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 140.4 | 172 | -71.4 | 172.5 | 0 | 0 | 0 | 109.7 | R437 Y438 | I433-R437 HydrophobicContact CG2-CB 3.9Å; I433-R437 HydrophobicContact CG2-CG 3.9Å; I433-Y438 HydrophobicContact CB-CD2 4.49Å; I433-Y438 HydrophobicContact CB-CE1 4.28Å; I433-Y438 HydrophobicContact CB-CE2 3.72Å; I433-Y438 HydrophobicContact CG2-CD1 4.29Å; I433-Y438 HydrophobicContact CG2-CD2 4.08Å; I433-Y438 HydrophobicContact CG2-CE1 3.99Å; I433-Y438 HydrophobicContact CG2-CE2 3.77Å; I433-Y438 HydrophobicContact CG2-CG 4.35Å; I433-Y438 VanDerWaalsContact O-CE2 3.29Å; I433-Y438 WeakPolarHBondContact O-CE2 3.47Å |
| 434 | P | 76.4 | Confident | 73.2 | Confident | 42 Ų | 42 | 59 Ų | 59 | 27% | 0.273 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -46.4 | 139.2 | 175.5 | -33.9 | 36.7 | 0 | 0 | 0 | 115.9 | E436 R437 Y438 P2247 | P434-E436 VanDerWaalsContact C-N 3.25Å; P434-E436 PolarHBondContact O-N 3.46Å; P434-R437 HydrophobicContact CB-CB 3.71Å; P434-R437 HydrophobicContact CG-CB 4.21Å; P434-R437 PolarHBondContact O-N 3.04Å; P434-R437 VanDerWaalsContact O-N 3.09Å; P434-Y438 VanDerWaalsContact O-CD2 3.3Å; P434-Y438 WeakPolarHBondContact O-CD2 3.2Å; P434-Y438 PolarHBondContact O-N 3.12Å; P434-Y438 VanDerWaalsContact O-N 3.1Å; P434-P2247 HydrophobicContact CB-CB 3.37Å; P434-P2247 HydrophobicContact CB-CG 3.41Å; P434-P2247 VanDerWaalsContact CB-CG 3.41Å; P434-P2247 HydrophobicContact CG-CB 3.1Å; P434-P2247 HydrophobicContact CG-CG 3.47Å; P434-P2247 VanDerWaalsContact CG-CG 3.47Å |
| 435 | F | 80.6 | Confident | 73.7 | Confident | 42 Ų | 42 | 61 Ų | 61 | 18% | 0.184 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -54.8 | -45.4 | 168.6 | 167.7 | -98.3 | 0 | 0 | 0 | 111 | F14 L420 C424 R437 Y438 L439 | F14-F435 HydrophobicContact CD1-CZ 4.29Å; F14-F435 HydrophobicContact CE1-CE1 4.23Å; F14-F435 HydrophobicContact CE1-CE2 4.44Å; F14-F435 AromaticContact CE1-CZ 3.5Å; F14-F435 HydrophobicContact CE1-CZ 3.5Å; F14-F435 HydrophobicContact CE2-CZ 4.38Å; F14-F435 HydrophobicContact CZ-CE2 4.07Å; F14-F435 AromaticContact CZ-CZ 3.55Å; F14-F435 HydrophobicContact CZ-CZ 3.55Å; L420-F435 HydrophobicContact CD1-CE2 4.04Å; L420-F435 HydrophobicContact CD2-CD2 3.95Å; L420-F435 HydrophobicContact CD2-CE2 3.94Å; L420-F435 HydrophobicContact CG-CE2 4.46Å; C424-F435 HydrophobicContact CB-CD2 4.4Å; F435-R437 VanDerWaalsContact C-N 3.26Å; F435-R437 PolarHBondContact O-N 3.14Å; F435-Y438 PolarHBondContact O-N 3.09Å; F435-L439 HydrophobicContact CE1-CB 4.39Å; F435-L439 HydrophobicContact CE1-CD2 3.91Å; F435-L439 HydrophobicContact CZ-CB 4.26Å; F435-L439 HydrophobicContact CZ-CD1 4.45Å; F435-L439 HydrophobicContact CZ-CD2 3.97Å; F435-L439 HydrophobicContact CZ-CG 4.46Å; F435-L439 WeakPolarHBondContact O-CB 3.41Å; F435-L439 PolarHBondContact O-N 2.99Å |
| 436 | E | 83.6 | Confident | 74.3 | Confident | 72 Ų | 72 | 57.6 Ų | 57.6 | 34% | 0.336 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.5 | -32 | 179.1 | -60.8 | 71.1 | -158.2 | 0 | 0 | 111.8 | P434 G440 | P434-E436 VanDerWaalsContact C-N 3.25Å; P434-E436 PolarHBondContact O-N 3.46Å; E436-G440 WeakPolarHBondContact O-CA 3.17Å; E436-G440 PolarHBondContact O-N 2.66Å |
| 437 | R | 85 | Confident | 75 | Confident | 114 Ų | 114 | 58.1 Ų | 58.1 | 43% | 0.43 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -75.3 | -39.3 | 177.1 | -177.3 | 67.2 | -165.8 | 147.1 | 15.3 | 111.3 | I433 P434 F435 Y441 E445 | I433-R437 HydrophobicContact CG2-CB 3.9Å; I433-R437 HydrophobicContact CG2-CG 3.9Å; P434-R437 HydrophobicContact CB-CB 3.71Å; P434-R437 HydrophobicContact CG-CB 4.21Å; P434-R437 PolarHBondContact O-N 3.04Å; P434-R437 VanDerWaalsContact O-N 3.09Å; F435-R437 VanDerWaalsContact C-N 3.26Å; F435-R437 PolarHBondContact O-N 3.14Å; R437-Y441 WeakPolarHBondContact O-CB 3.14Å; R437-Y441 PolarHBondContact O-N 2.88Å; R437-E445 IonicContact CZ-OE1 3.32Å; R437-E445 IonicContact CZ-OE2 3.49Å; R437-E445 IonicContact NH1-OE1 2.83Å; R437-E445 PolarHBondContact NH1-OE1 2.94Å; R437-E445 IonicContact NH1-OE2 2.7Å; R437-E445 IonicContact NH2-OE1 2.82Å; R437-E445 PolarHBondContact NH2-OE1 3Å; R437-E445 IonicContact NH2-OE2 3.88Å; R437-E445 PolarHBondContact NH2-OE2 3.18Å |
| 438 | Y | 86.8 | Confident | 76.2 | Confident | 19 Ų | 19 | 56.9 Ų | 56.9 | 8% | 0.075 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.3 | -44 | 172.5 | -70.2 | -58.7 | 0 | 0 | 0 | 111.9 | F419 L420 I433 P434 F435 F442 | F419-Y438 AromaticContact CE1-CD1 3.62Å; F419-Y438 HydrophobicContact CE1-CD1 3.62Å; F419-Y438 HydrophobicContact CE1-CD2 4.24Å; F419-Y438 AromaticContact CE1-CE1 3.66Å; F419-Y438 HydrophobicContact CE1-CE1 3.66Å; F419-Y438 HydrophobicContact CE1-CE2 4.26Å; F419-Y438 AromaticContact CE1-CG 3.91Å; F419-Y438 HydrophobicContact CE1-CG 3.91Å; F419-Y438 AromaticContact CE1-CZ 3.96Å; F419-Y438 AromaticContact CZ-CD1 3.98Å; F419-Y438 HydrophobicContact CZ-CD1 3.98Å; F419-Y438 AromaticContact CZ-CE1 3.52Å; F419-Y438 HydrophobicContact CZ-CE1 3.52Å; F419-Y438 HydrophobicContact CZ-CE2 4.36Å; F419-Y438 AromaticContact CZ-CZ 3.7Å; L420-Y438 HydrophobicContact CD2-CG 4.48Å; I433-Y438 HydrophobicContact CB-CD2 4.49Å; I433-Y438 HydrophobicContact CB-CE1 4.28Å; I433-Y438 HydrophobicContact CB-CE2 3.72Å; I433-Y438 HydrophobicContact CG2-CD1 4.29Å; I433-Y438 HydrophobicContact CG2-CD2 4.08Å; I433-Y438 HydrophobicContact CG2-CE1 3.99Å; I433-Y438 HydrophobicContact CG2-CE2 3.77Å; I433-Y438 HydrophobicContact CG2-CG 4.35Å; I433-Y438 VanDerWaalsContact O-CE2 3.29Å; I433-Y438 WeakPolarHBondContact O-CE2 3.47Å; P434-Y438 VanDerWaalsContact O-CD2 3.3Å; P434-Y438 WeakPolarHBondContact O-CD2 3.2Å; P434-Y438 PolarHBondContact O-N 3.12Å; P434-Y438 VanDerWaalsContact O-N 3.1Å; F435-Y438 PolarHBondContact O-N 3.09Å; Y438-F442 WeakPolarHBondContact O-CB 3.34Å; Y438-F442 PolarHBondContact O-N 3.49Å |
| 439 | L | 87.9 | Confident | 77.5 | Confident | 7 Ų | 7 | 50 Ų | 50 | 4% | 0.037 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.5 | -45.3 | 176.2 | -170.7 | 67.9 | 0 | 0 | 0 | 111.4 | F14 F416 F435 F442 L443 | F14-L439 HydrophobicContact CB-CD1 3.92Å; F14-L439 HydrophobicContact CB-CD2 4.25Å; F14-L439 HydrophobicContact CD1-CD1 4.2Å; F14-L439 HydrophobicContact CD1-CD2 3.89Å; F14-L439 HydrophobicContact CD2-CD1 3.61Å; F14-L439 HydrophobicContact CE1-CD2 4.47Å; F14-L439 HydrophobicContact CE2-CD1 4.16Å; F14-L439 HydrophobicContact CG-CD1 3.63Å; F14-L439 HydrophobicContact CG-CD2 4.05Å; F416-L439 HydrophobicContact CE1-CD1 4.43Å; F435-L439 HydrophobicContact CE1-CB 4.39Å; F435-L439 HydrophobicContact CE1-CD2 3.91Å; F435-L439 HydrophobicContact CZ-CB 4.26Å; F435-L439 HydrophobicContact CZ-CD1 4.45Å; F435-L439 HydrophobicContact CZ-CD2 3.97Å; F435-L439 HydrophobicContact CZ-CG 4.46Å; F435-L439 WeakPolarHBondContact O-CB 3.41Å; F435-L439 PolarHBondContact O-N 2.99Å; L439-F442 PolarHBondContact O-N 2.84Å; L439-L443 HydrophobicContact CD1-CD1 3.69Å; L439-L443 HydrophobicContact CD1-CG 4.13Å; L439-L443 HydrophobicContact CD2-CD1 4.42Å; L439-L443 HydrophobicContact CG-CD1 3.79Å; L439-L443 HydrophobicContact CG-CG 4.38Å; L439-L443 WeakPolarHBondContact O-CB 3.37Å; L439-L443 WeakPolarHBondContact O-CG 3.34Å; L439-L443 PolarHBondContact O-N 3.04Å |
| 440 | G | 85.2 | Confident | 78.7 | Confident | 18 Ų | 18 | 46.3 Ų | 46.3 | 19% | 0.186 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.4 | -43.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | E436 F442 F444 | E436-G440 WeakPolarHBondContact O-CA 3.17Å; E436-G440 PolarHBondContact O-N 2.66Å; G440-F442 VanDerWaalsContact C-N 3.32Å; G440-F442 PolarHBondContact O-N 2.69Å; G440-F444 WeakPolarHBondContact O-CB 3.11Å; G440-F444 PolarHBondContact O-N 3.02Å |
| 441 | Y | 87.1 | Confident | 79.8 | Confident | 75 Ų | 75 | 45.3 Ų | 45.3 | 29% | 0.294 | 22% | 0.218 | S | C | . | . | I | π-helix | trans | -54.7 | -50.5 | 170.9 | 174.6 | -113.3 | 0 | 0 | 0 | 110.5 | R437 E445 I446 V458 L460 | R437-Y441 WeakPolarHBondContact O-CB 3.14Å; R437-Y441 PolarHBondContact O-N 2.88Å; Y441-E445 HydrophobicContact CD2-CB 3.82Å; Y441-E445 WeakPolarHBondContact CD2-OE2 3.43Å; Y441-E445 HydrophobicContact CE2-CB 4.38Å; Y441-E445 PolarHBondContact O-N 3.35Å; Y441-I446 HydrophobicContact CD1-CD1 4.39Å; Y441-I446 HydrophobicContact CE1-CD1 4.12Å; Y441-I446 HydrophobicContact CE1-CG1 4.2Å; Y441-I446 HydrophobicContact CE2-CG1 4.44Å; Y441-I446 WeakPolarHBondContact O-CG1 3.42Å; Y441-I446 PolarHBondContact O-N 2.74Å; Y441-V458 HydrophobicContact CE1-CG1 3.74Å; Y441-L460 HydrophobicContact CD1-CD2 4.44Å; Y441-L460 HydrophobicContact CE1-CD2 4.17Å |
| 442 | F | 88.9 | Confident | 80.9 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -71.3 | -33.8 | -173.8 | -164.3 | -92 | 0 | 0 | 0 | 114.7 | F413 F416 Y438 L439 G440 I446 I467 | F413-F442 AromaticContact CD1-CE1 3.62Å; F413-F442 HydrophobicContact CD1-CE1 3.62Å; F413-F442 AromaticContact CD1-CZ 3.71Å; F413-F442 HydrophobicContact CD1-CZ 3.71Å; F413-F442 AromaticContact CE1-CE1 3.53Å; F413-F442 HydrophobicContact CE1-CE1 3.53Å; F413-F442 AromaticContact CE1-CZ 3.79Å; F413-F442 HydrophobicContact CE1-CZ 3.79Å; F416-F442 HydrophobicContact CB-CD2 4.24Å; F416-F442 HydrophobicContact CB-CE1 4.38Å; F416-F442 HydrophobicContact CB-CE2 3.79Å; F416-F442 HydrophobicContact CB-CZ 3.88Å; F416-F442 HydrophobicContact CD1-CB 4.23Å; F416-F442 AromaticContact CD1-CD1 3.48Å; F416-F442 HydrophobicContact CD1-CD1 3.48Å; F416-F442 VanDerWaalsContact CD1-CD1 3.48Å; F416-F442 AromaticContact CD1-CD2 3.9Å; F416-F442 HydrophobicContact CD1-CD2 3.9Å; F416-F442 AromaticContact CD1-CE1 3.71Å; F416-F442 HydrophobicContact CD1-CE1 3.71Å; F416-F442 HydrophobicContact CD1-CE2 4.12Å; F416-F442 AromaticContact CD1-CG 3.59Å; F416-F442 HydrophobicContact CD1-CG 3.59Å; F416-F442 HydrophobicContact CD1-CZ 4.04Å; F416-F442 HydrophobicContact CD2-CB 4.34Å; F416-F442 AromaticContact CD2-CD2 3.56Å; F416-F442 HydrophobicContact CD2-CD2 3.56Å; F416-F442 AromaticContact CD2-CE2 3.98Å; F416-F442 HydrophobicContact CD2-CE2 3.98Å; F416-F442 AromaticContact CD2-CG 3.93Å; F416-F442 HydrophobicContact CD2-CG 3.93Å; F416-F442 HydrophobicContact CE1-CB 3.59Å; F416-F442 AromaticContact CE1-CD1 3.54Å; F416-F442 HydrophobicContact CE1-CD1 3.54Å; F416-F442 HydrophobicContact CE1-CD2 4.12Å; F416-F442 HydrophobicContact CE1-CE1 4.24Å; F416-F442 AromaticContact CE1-CG 3.47Å; F416-F442 HydrophobicContact CE1-CG 3.47Å; F416-F442 VanDerWaalsContact CE1-CG 3.47Å; F416-F442 HydrophobicContact CE2-CB 3.73Å; F416-F442 AromaticContact CE2-CD2 3.81Å; F416-F442 HydrophobicContact CE2-CD2 3.81Å; F416-F442 AromaticContact CE2-CG 3.82Å; F416-F442 HydrophobicContact CE2-CG 3.82Å; F416-F442 HydrophobicContact CG-CD1 4.06Å; F416-F442 AromaticContact CG-CD2 3.61Å; F416-F442 HydrophobicContact CG-CD2 3.61Å; F416-F442 HydrophobicContact CG-CE1 4.11Å; F416-F442 AromaticContact CG-CE2 3.69Å; F416-F442 HydrophobicContact CG-CE2 3.69Å; F416-F442 AromaticContact CG-CG 3.82Å; F416-F442 HydrophobicContact CG-CG 3.82Å; F416-F442 AromaticContact CG-CZ 3.94Å; F416-F442 HydrophobicContact CG-CZ 3.94Å; F416-F442 HydrophobicContact CZ-CB 3.31Å; F416-F442 HydrophobicContact CZ-CD1 4.16Å; F416-F442 HydrophobicContact CZ-CD2 4.09Å; F416-F442 AromaticContact CZ-CG 3.6Å; F416-F442 HydrophobicContact CZ-CG 3.6Å; Y438-F442 WeakPolarHBondContact O-CB 3.34Å; Y438-F442 PolarHBondContact O-N 3.49Å; L439-F442 PolarHBondContact O-N 2.84Å; G440-F442 VanDerWaalsContact C-N 3.32Å; G440-F442 PolarHBondContact O-N 2.69Å; F442-I446 HydrophobicContact CB-CD1 4.21Å; F442-I446 HydrophobicContact CD2-CD1 3.41Å; F442-I446 VanDerWaalsContact CD2-CD1 3.41Å; F442-I446 HydrophobicContact CE2-CD1 3.95Å; F442-I446 HydrophobicContact CG-CD1 3.97Å; F442-I467 HydrophobicContact CE2-CD1 4.16Å; F442-I467 HydrophobicContact CZ-CD1 4.08Å |
| 443 | L | 86.4 | Confident | 81.5 | Confident | 6 Ų | 6 | 43.6 Ų | 43.6 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -91.8 | -23.1 | -177.7 | -63.4 | -178.4 | 0 | 0 | 0 | 114.3 | A11 F14 Y222 V224 L439 | A11-L443 HydrophobicContact CB-CD2 3.96Å; F14-L443 HydrophobicContact CB-CD1 4.23Å; Y222-L443 HydrophobicContact CD1-CD1 4.19Å; V224-L443 HydrophobicContact CG2-CB 4.11Å; V224-L443 HydrophobicContact CG2-CD1 3.85Å; V224-L443 HydrophobicContact CG2-CD2 4.33Å; V224-L443 HydrophobicContact CG2-CG 4.33Å; L439-L443 HydrophobicContact CD1-CD1 3.69Å; L439-L443 HydrophobicContact CD1-CG 4.13Å; L439-L443 HydrophobicContact CD2-CD1 4.42Å; L439-L443 HydrophobicContact CG-CD1 3.79Å; L439-L443 HydrophobicContact CG-CG 4.38Å; L439-L443 WeakPolarHBondContact O-CB 3.37Å; L439-L443 WeakPolarHBondContact O-CG 3.34Å; L439-L443 PolarHBondContact O-N 3.04Å |
| 444 | F | 81 | Confident | 81.7 | Confident | 51 Ų | 51 | 43.2 Ų | 43.2 | 22% | 0.224 | 22% | 0.217 | C | C | . | . | I | π-helix | trans | -121.5 | -38.9 | -175.2 | -60.1 | -70.5 | 0 | 0 | 0 | 115.2 | Y222 V224 Y243 G440 | Y222-F444 AromaticContact CE1-CE2 3.7Å; Y222-F444 HydrophobicContact CE1-CE2 3.7Å; Y222-F444 AromaticContact CE1-CZ 3.67Å; Y222-F444 HydrophobicContact CE1-CZ 3.67Å; Y222-F444 AromaticContact CZ-CE2 3.94Å; Y222-F444 AromaticContact CZ-CZ 3.91Å; Y222-F444 VanDerWaalsContact OH-CE2 3.32Å; Y222-F444 WeakPolarHBondContact OH-CE2 3.35Å; Y222-F444 VanDerWaalsContact OH-CZ 3.23Å; Y222-F444 WeakPolarHBondContact OH-CZ 3.38Å; V224-F444 HydrophobicContact CG1-CD1 4.2Å; V224-F444 HydrophobicContact CG1-CE1 3.52Å; V224-F444 HydrophobicContact CG1-CZ 4.05Å; Y243-F444 WeakPolarHBondContact CE1-O 3.44Å; G440-F444 WeakPolarHBondContact O-CB 3.11Å; G440-F444 PolarHBondContact O-N 3.02Å |
| 445 | E | 84.2 | Confident | 81.7 | Confident | 85 Ų | 85 | 44 Ų | 44 | 40% | 0.397 | 22% | 0.223 | S | C | . | . | I | π-helix | trans | -90.1 | -21.4 | -171.6 | -60.5 | -175 | -172 | 0 | 0 | 113.1 | R437 Y441 P447 | R437-E445 IonicContact CZ-OE1 3.32Å; R437-E445 IonicContact CZ-OE2 3.49Å; R437-E445 IonicContact NH1-OE1 2.83Å; R437-E445 PolarHBondContact NH1-OE1 2.94Å; R437-E445 IonicContact NH1-OE2 2.7Å; R437-E445 IonicContact NH2-OE1 2.82Å; R437-E445 PolarHBondContact NH2-OE1 3Å; R437-E445 IonicContact NH2-OE2 3.88Å; R437-E445 PolarHBondContact NH2-OE2 3.18Å; Y441-E445 HydrophobicContact CD2-CB 3.82Å; Y441-E445 WeakPolarHBondContact CD2-OE2 3.43Å; Y441-E445 HydrophobicContact CE2-CB 4.38Å; Y441-E445 PolarHBondContact O-N 3.35Å; E445-P447 WeakPolarHBondContact O-CD 3.3Å |
| 446 | I | 86.5 | Confident | 81.8 | Confident | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -82.4 | 121.2 | 172.9 | -55 | 172.2 | 0 | 0 | 0 | 109.6 | L10 Y243 Y441 F442 I456 V458 I467 | L10-I446 HydrophobicContact CD1-CB 3.92Å; L10-I446 HydrophobicContact CD1-CG2 3.83Å; Y243-I446 PolarHBondContact OH-O 2.85Å; Y441-I446 HydrophobicContact CD1-CD1 4.39Å; Y441-I446 HydrophobicContact CE1-CD1 4.12Å; Y441-I446 HydrophobicContact CE1-CG1 4.2Å; Y441-I446 HydrophobicContact CE2-CG1 4.44Å; Y441-I446 WeakPolarHBondContact O-CG1 3.42Å; Y441-I446 PolarHBondContact O-N 2.74Å; F442-I446 HydrophobicContact CB-CD1 4.21Å; F442-I446 HydrophobicContact CD2-CD1 3.41Å; F442-I446 VanDerWaalsContact CD2-CD1 3.41Å; F442-I446 HydrophobicContact CE2-CD1 3.95Å; F442-I446 HydrophobicContact CG-CD1 3.97Å; I446-I456 HydrophobicContact CG2-CG2 3.99Å; I446-V458 HydrophobicContact CD1-CB 4.23Å; I446-V458 HydrophobicContact CD1-CG1 3.43Å; I446-V458 VanDerWaalsContact CD1-CG1 3.43Å; I446-V458 HydrophobicContact CD1-CG2 3.73Å; I446-V458 HydrophobicContact CG1-CG1 4.29Å; I446-V458 HydrophobicContact CG1-CG2 4.37Å; I446-V458 HydrophobicContact CG2-CG2 3.96Å; I446-I467 HydrophobicContact CG2-CD1 4.17Å |
| 447 | P | 83.6 | Confident | 81.7 | Confident | 44 Ų | 44 | 43.6 Ų | 43.6 | 29% | 0.286 | 23% | 0.232 | S | C | . | . | P | Polyproline II helix | trans | -59.2 | 153.7 | 174.3 | 14.8 | -20.7 | 0 | 0 | 0 | 112.5 | Y243 E445 I456 | Y243-P447 VanDerWaalsContact OH-CA 3.28Å; Y243-P447 WeakPolarHBondContact OH-CA 3.46Å; E445-P447 WeakPolarHBondContact O-CD 3.3Å; P447-I456 HydrophobicContact CB-CD1 4.03Å; P447-I456 HydrophobicContact CG-CD1 3.83Å; P447-I456 WeakPolarHBondContact O-CD1 3.35Å |
| 448 | F | 85.7 | Confident | 81.6 | Confident | 11 Ų | 11 | 38.2 Ų | 38.2 | 5% | 0.048 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -73.5 | 138.8 | 162.9 | -174.6 | -91.6 | 0 | 0 | 0 | 110 | E8 R9 L10 W407 F409 D450 R469 | E8-F448 HydrophobicContact CB-CB 4.08Å; E8-F448 HydrophobicContact CB-CD1 3.33Å; E8-F448 HydrophobicContact CB-CD2 4.04Å; E8-F448 HydrophobicContact CB-CE1 3.64Å; E8-F448 HydrophobicContact CB-CE2 4.28Å; E8-F448 HydrophobicContact CB-CG 3.54Å; E8-F448 HydrophobicContact CB-CZ 4.11Å; E8-F448 HydrophobicContact CG-CD1 4.22Å; E8-F448 HydrophobicContact CG-CE1 4.2Å; E8-F448 WeakPolarHBondContact O-CB 3.32Å; E8-F448 WeakPolarHBondContact OE2-CD1 3.15Å; E8-F448 WeakPolarHBondContact OE2-CE1 3.36Å; R9-F448 VanDerWaalsContact C-CD2 3.41Å; R9-F448 WeakPolarHBondContact O-CD2 3.28Å; R9-F448 WeakPolarHBondContact O-CE2 3.49Å; L10-F448 HydrophobicContact CD2-CD2 4.07Å; W407-F448 AromaticContact CD1-CE2 3.57Å; W407-F448 AromaticContact CD2-CE2 3.88Å; W407-F448 HydrophobicContact CD2-CE2 3.88Å; W407-F448 AromaticContact CD2-CZ 3.7Å; W407-F448 HydrophobicContact CD2-CZ 3.7Å; W407-F448 AromaticContact CE2-CE2 3.65Å; W407-F448 AromaticContact CE2-CZ 3.49Å; W407-F448 VanDerWaalsContact CE2-CZ 3.49Å; W407-F448 HydrophobicContact CE3-CZ 4.14Å; W407-F448 AromaticContact CG-CE2 3.81Å; W407-F448 HydrophobicContact CG-CE2 3.81Å; W407-F448 HydrophobicContact CG-CZ 4.13Å; W407-F448 HydrophobicContact CH2-CZ 4.17Å; W407-F448 HydrophobicContact CZ2-CE1 4.43Å; W407-F448 HydrophobicContact CZ2-CE2 4.29Å; W407-F448 AromaticContact CZ2-CZ 3.74Å; W407-F448 HydrophobicContact CZ2-CZ 3.74Å; W407-F448 HydrophobicContact CZ3-CZ 4.35Å; W407-F448 AromaticContact NE1-CE2 3.44Å; W407-F448 AromaticContact NE1-CZ 3.8Å; F409-F448 HydrophobicContact CE2-CD2 4.25Å; F409-F448 AromaticContact CE2-CE2 3.67Å; F409-F448 HydrophobicContact CE2-CE2 3.67Å; F409-F448 HydrophobicContact CZ-CD2 4.08Å; F409-F448 AromaticContact CZ-CE2 3.5Å; F409-F448 HydrophobicContact CZ-CE2 3.5Å; F409-F448 VanDerWaalsContact CZ-CE2 3.5Å; F409-F448 HydrophobicContact CZ-CZ 4.08Å; F448-D450 PolarHBondContact O-N 3.26Å; F448-D450 VanDerWaalsContact O-N 3.16Å; F448-R469 HydrophobicContact CE1-CG 4.49Å |
| 449 | P | 82.3 | Confident | 81.2 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -71.7 | 107.8 | 178 | 29.1 | -35.9 | 0 | 0 | 0 | 111.8 | F409 I453 I456 I467 R469 | F409-P449 HydrophobicContact CE1-CG 4.1Å; F409-P449 HydrophobicContact CZ-CG 4.11Å; P449-I453 CarbonylContact C-O 3.58Å; P449-I453 WeakPolarHBondContact CA-O 3.37Å; P449-I453 VanDerWaalsContact CB-O 3.29Å; P449-I453 WeakPolarHBondContact CB-O 3.43Å; P449-I456 HydrophobicContact CB-CD1 4.06Å; P449-I456 HydrophobicContact CB-CG1 4.47Å; P449-I467 HydrophobicContact CG-CG2 4.15Å; P449-R469 HydrophobicContact CB-CB 4.08Å; P449-R469 HydrophobicContact CG-CB 4.16Å; P449-R469 WeakPolarHBondContact O-CB 3.15Å; P449-R469 WeakPolarHBondContact O-CD 3.46Å; P449-R469 VanDerWaalsContact O-CG 3.25Å; P449-R469 WeakPolarHBondContact O-CG 3.46Å; P449-R469 PolarHBondContact O-NH1 3.04Å | ||
| 450 | D | 77.4 | Confident | 80.5 | Confident | 23 Ų | 23 | 42.5 Ų | 42.5 | 12% | 0.123 | 24% | 0.236 | C | C | . | . | trans | -94.4 | 178.1 | -179.7 | 69.6 | 50.6 | 0 | 0 | 0 | 113.6 | F448 A452 I453 P454 V1022 | F448-D450 PolarHBondContact O-N 3.26Å; F448-D450 VanDerWaalsContact O-N 3.16Å; D450-A452 PolarHBondContact O-N 3.31Å; D450-A452 WeakPolarHBondContact OD1-CA 3.25Å; D450-A452 WeakPolarHBondContact OD1-CB 3.32Å; D450-A452 PolarHBondContact OD1-N 3.45Å; D450-I453 PolarHBondContact N-O 3.04Å; D450-I453 CarbonylContact O-C 3.55Å; D450-I453 PolarHBondContact O-N 3.48Å; D450-I453 VanDerWaalsContact O-N 3.16Å; D450-I453 PolarHBondContact OD1-N 3.35Å; D450-P454 WeakPolarHBondContact O-CA 3.44Å; D450-V1022 HydrophobicContact CB-CG2 4.42Å; D450-V1022 WeakPolarHBondContact OD1-CG2 3.44Å; D450-V1022 WeakPolarHBondContact OD2-CG2 3.43Å | ||
| 451 | R | 68.9 | Low | 79.3 | Confident | 102 Ų | 102 | 44.5 Ų | 44.5 | 39% | 0.385 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -66.1 | 1 | 178.7 | -67.4 | -166.2 | -176.1 | -159.7 | 3.7 | 114.9 | E743 S1024 | R451-E743 IonicContact NH1-OE1 3.27Å; R451-S1024 PolarHBondContact O-OG 2.86Å |
| 452 | A | 72.1 | Confident | 77.6 | Confident | 45 Ų | 45 | 43.2 Ų | 43.2 | 37% | 0.372 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -118.8 | -22.4 | 169 | 0 | 0 | 0 | 0 | 0 | 113.2 | D450 P454 V1022 | D450-A452 PolarHBondContact O-N 3.31Å; D450-A452 WeakPolarHBondContact OD1-CA 3.25Å; D450-A452 WeakPolarHBondContact OD1-CB 3.32Å; D450-A452 PolarHBondContact OD1-N 3.45Å; A452-P454 VanDerWaalsContact O-CD 3.31Å; A452-P454 WeakPolarHBondContact O-CD 3.21Å; A452-V1022 HydrophobicContact CB-CB 4.11Å; A452-V1022 HydrophobicContact CB-CG1 3.76Å; A452-V1022 HydrophobicContact CB-CG2 4.39Å |
| 453 | I | 73.7 | Confident | 76.4 | Confident | 73 Ų | 73 | 44.1 Ų | 44.1 | 37% | 0.374 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -115.6 | 68.5 | 169.3 | -47.4 | 179.8 | 0 | 0 | 0 | 108.9 | P449 D450 S455 I456 | P449-I453 CarbonylContact C-O 3.58Å; P449-I453 WeakPolarHBondContact CA-O 3.37Å; P449-I453 VanDerWaalsContact CB-O 3.29Å; P449-I453 WeakPolarHBondContact CB-O 3.43Å; D450-I453 PolarHBondContact N-O 3.04Å; D450-I453 CarbonylContact O-C 3.55Å; D450-I453 PolarHBondContact O-N 3.48Å; D450-I453 VanDerWaalsContact O-N 3.16Å; D450-I453 PolarHBondContact OD1-N 3.35Å; I453-S455 PolarHBondContact O-N 2.69Å; I453-S455 VanDerWaalsContact O-N 3.14Å; I453-I456 HydrophobicContact CG2-CD1 4.29Å; I453-I456 HydrophobicContact CG2-CG1 3.71Å |
| 454 | P | 71.6 | Confident | 75.6 | Confident | 75 Ų | 75 | 47.4 Ų | 47.4 | 49% | 0.487 | 28% | 0.281 | S | S | . | . | trans | -69.3 | -13.8 | -171.5 | 29.5 | -37.6 | 0 | 0 | 0 | 113.6 | D450 A452 Q468 R469 | D450-P454 WeakPolarHBondContact O-CA 3.44Å; A452-P454 VanDerWaalsContact O-CD 3.31Å; A452-P454 WeakPolarHBondContact O-CD 3.21Å; P454-Q468 CarbonylContact O-C 3.58Å; P454-Q468 WeakPolarHBondContact O-CA 3.32Å; P454-R469 PolarHBondContact O-N 3.01Å | ||
| 455 | S | 76.9 | Confident | 75.5 | Confident | 57 Ų | 57 | 45.2 Ų | 45.2 | 40% | 0.399 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 145.6 | 173.7 | 61.2 | 0 | 0 | 0 | 0 | 112.5 | I453 I467 | I453-S455 PolarHBondContact O-N 2.69Å; I453-S455 VanDerWaalsContact O-N 3.14Å; S455-I467 CarbonylContact C-O 3.27Å; S455-I467 VanDerWaalsContact CA-O 3.29Å; S455-I467 WeakPolarHBondContact CA-O 3.39Å |
| 456 | I | 83 | Confident | 75.2 | Confident | 21 Ų | 21 | 45.4 Ų | 45.4 | 11% | 0.108 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 126.7 | -177.1 | -62.1 | 164.8 | 0 | 0 | 0 | 107.3 | I446 P447 P449 I453 V458 I467 | I446-I456 HydrophobicContact CG2-CG2 3.99Å; P447-I456 HydrophobicContact CB-CD1 4.03Å; P447-I456 HydrophobicContact CG-CD1 3.83Å; P447-I456 WeakPolarHBondContact O-CD1 3.35Å; P449-I456 HydrophobicContact CB-CD1 4.06Å; P449-I456 HydrophobicContact CB-CG1 4.47Å; I453-I456 HydrophobicContact CG2-CD1 4.29Å; I453-I456 HydrophobicContact CG2-CG1 3.71Å; I456-V458 HydrophobicContact CG2-CG2 4.19Å; I456-I467 PolarHBondContact N-O 2.66Å; I456-I467 PolarHBondContact O-N 2.75Å |
| 457 | S | 81.7 | Confident | 75 | Confident | 85 Ų | 85 | 45.2 Ų | 45.2 | 59% | 0.594 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 125.2 | 173.5 | -171.6 | 0 | 0 | 0 | 0 | 109.4 | ||
| 458 | V | 82 | Confident | 74.6 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 110.5 | -175.2 | -175.8 | 0 | 0 | 0 | 0 | 107.6 | Y441 I446 I456 L460 P464 I465 I467 | Y441-V458 HydrophobicContact CE1-CG1 3.74Å; I446-V458 HydrophobicContact CD1-CB 4.23Å; I446-V458 HydrophobicContact CD1-CG1 3.43Å; I446-V458 VanDerWaalsContact CD1-CG1 3.43Å; I446-V458 HydrophobicContact CD1-CG2 3.73Å; I446-V458 HydrophobicContact CG1-CG1 4.29Å; I446-V458 HydrophobicContact CG1-CG2 4.37Å; I446-V458 HydrophobicContact CG2-CG2 3.96Å; I456-V458 HydrophobicContact CG2-CG2 4.19Å; V458-L460 HydrophobicContact CG1-CD2 4.26Å; V458-L460 HydrophobicContact CG1-CG 4.24Å; V458-P464 CarbonylContact O-C 3.54Å; V458-P464 WeakPolarHBondContact O-CA 3.15Å; V458-I465 HydrophobicContact CB-CB 4.32Å; V458-I465 PolarHBondContact N-O 2.77Å; V458-I465 PolarHBondContact O-N 2.8Å; V458-I467 HydrophobicContact CG2-CD1 3.89Å; V458-I467 HydrophobicContact CG2-CG1 4Å |
| 459 | D | 78.4 | Confident | 73.9 | Confident | 111 Ų | 111 | 49.3 Ų | 49.3 | 59% | 0.594 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 115.3 | -176.2 | -163.3 | -10.8 | 0 | 0 | 0 | 111.2 | ||
| 460 | L | 74.1 | Confident | 73 | Confident | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 77.1 | -179 | -63.1 | 179 | 0 | 0 | 0 | 110 | F416 F419 Y441 V458 A462 A463 I465 | F416-L460 HydrophobicContact CD2-CD1 3.8Å; F416-L460 HydrophobicContact CE2-CD1 4.47Å; F419-L460 HydrophobicContact CB-CD1 4.34Å; F419-L460 HydrophobicContact CD1-CD1 4.08Å; F419-L460 HydrophobicContact CD2-CB 3.85Å; F419-L460 HydrophobicContact CD2-CD1 4.43Å; F419-L460 HydrophobicContact CE1-CD2 4.37Å; F419-L460 HydrophobicContact CE2-CB 3.81Å; F419-L460 HydrophobicContact CG-CB 4.27Å; F419-L460 HydrophobicContact CG-CD1 4.02Å; F419-L460 HydrophobicContact CZ-CB 4.21Å; F419-L460 HydrophobicContact CZ-CD2 4.48Å; Y441-L460 HydrophobicContact CD1-CD2 4.44Å; Y441-L460 HydrophobicContact CE1-CD2 4.17Å; V458-L460 HydrophobicContact CG1-CD2 4.26Å; V458-L460 HydrophobicContact CG1-CG 4.24Å; L460-A462 PolarHBondContact O-N 3.15Å; L460-A463 PolarHBondContact N-O 2.9Å; L460-A463 PolarHBondContact O-N 2.74Å; L460-I465 HydrophobicContact CD1-CD1 3.51Å; L460-I465 HydrophobicContact CD1-CG1 4.1Å |
| 461 | C | 58.8 | Low | 72 | Confident | 61 Ų | 61 | 52.6 Ų | 52.6 | 41% | 0.412 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.7 | 53.1 | 171.2 | -59.7 | 0 | 0 | 0 | 0 | 114.2 | F419 | F419-C461 HydrophobicContact CE2-CB 4.5Š|
| 462 | A | 53.1 | Low | 70.6 | Confident | 48 Ų | 48 | 51 Ų | 51 | 40% | 0.397 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.3 | -7.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | L460 | L460-A462 PolarHBondContact O-N 3.15Š|
| 463 | A | 62.6 | Low | 69 | Low | 18 Ų | 18 | 50.2 Ų | 50.2 | 15% | 0.149 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 94.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L460 I465 F645 | L460-A463 PolarHBondContact N-O 2.9Å; L460-A463 PolarHBondContact O-N 2.74Å; A463-I465 PolarHBondContact O-N 2.81Å; A463-F645 HydrophobicContact CB-CD1 3.46Å; A463-F645 VanDerWaalsContact CB-CD1 3.46Å; A463-F645 HydrophobicContact CB-CE1 3.44Å; A463-F645 VanDerWaalsContact CB-CE1 3.44Å |
| 464 | P | 70.1 | Confident | 67.3 | Low | 76 Ų | 76 | 49.4 Ų | 49.4 | 49% | 0.494 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 119.8 | 179.6 | 27.8 | -33.6 | 0 | 0 | 0 | 112 | V458 | V458-P464 CarbonylContact O-C 3.54Å; V458-P464 WeakPolarHBondContact O-CA 3.15Å |
| 465 | I | 78.9 | Confident | 65.6 | Low | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 121.4 | 171.6 | -61.1 | -176.4 | 0 | 0 | 0 | 109 | P412 N415 F416 V458 L460 A463 I467 | P412-I465 HydrophobicContact CB-CG2 3.79Å; N415-I465 HydrophobicContact CB-CD1 3.69Å; N415-I465 HydrophobicContact CB-CG1 4Å; F416-I465 HydrophobicContact CB-CD1 3.81Å; V458-I465 HydrophobicContact CB-CB 4.32Å; V458-I465 PolarHBondContact N-O 2.77Å; V458-I465 PolarHBondContact O-N 2.8Å; L460-I465 HydrophobicContact CD1-CD1 3.51Å; L460-I465 HydrophobicContact CD1-CG1 4.1Å; A463-I465 PolarHBondContact O-N 2.81Å; I465-I467 HydrophobicContact CG2-CG1 4.26Å |
| 466 | L | 77.9 | Confident | 63.8 | Low | 89 Ų | 89 | 46.3 Ų | 46.3 | 47% | 0.466 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 110.8 | 173.1 | -173.9 | 69.5 | 0 | 0 | 0 | 109.9 | Q468 | L466-Q468 HydrophobicContact CD2-CG 3.92Å; L466-Q468 HydrophobicContact CG-CG 3.81Å |
| 467 | I | 82.5 | Confident | 62 | Low | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 126.5 | 169.2 | -47.6 | -172 | 0 | 0 | 0 | 107.5 | L10 F409 P412 F442 I446 P449 S455 I456 V458 I465 | L10-I467 HydrophobicContact CD1-CD1 3.75Å; L10-I467 HydrophobicContact CD2-CD1 4.18Å; L10-I467 HydrophobicContact CD2-CG2 3.88Å; F409-I467 HydrophobicContact CD1-CG2 3.69Å; F409-I467 HydrophobicContact CE1-CG2 3.49Å; F409-I467 VanDerWaalsContact CE1-CG2 3.49Å; F409-I467 HydrophobicContact CZ-CG2 4.19Å; P412-I467 HydrophobicContact CB-CG1 4.16Å; F442-I467 HydrophobicContact CE2-CD1 4.16Å; F442-I467 HydrophobicContact CZ-CD1 4.08Å; I446-I467 HydrophobicContact CG2-CD1 4.17Å; P449-I467 HydrophobicContact CG-CG2 4.15Å; S455-I467 CarbonylContact C-O 3.27Å; S455-I467 VanDerWaalsContact CA-O 3.29Å; S455-I467 WeakPolarHBondContact CA-O 3.39Å; I456-I467 PolarHBondContact N-O 2.66Å; I456-I467 PolarHBondContact O-N 2.75Å; V458-I467 HydrophobicContact CG2-CD1 3.89Å; V458-I467 HydrophobicContact CG2-CG1 4Å; I465-I467 HydrophobicContact CG2-CG1 4.26Å |
| 468 | Q | 75.4 | Confident | 60.7 | Low | 113 Ų | 113 | 43.7 Ų | 43.7 | 53% | 0.528 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 145.2 | 176.5 | -52.7 | -167.9 | -106.7 | 0 | 0 | 109.1 | F409 P454 L466 | F409-Q468 VanDerWaalsContact CE1-O 3.31Å; F409-Q468 WeakPolarHBondContact CE1-O 3.49Å; P454-Q468 CarbonylContact O-C 3.58Å; P454-Q468 WeakPolarHBondContact O-CA 3.32Å; L466-Q468 HydrophobicContact CD2-CG 3.92Å; L466-Q468 HydrophobicContact CG-CG 3.81Å |
| 469 | R | 71.2 | Confident | 59.7 | Low | 28 Ų | 28 | 45.8 Ų | 45.8 | 11% | 0.106 | 27% | 0.272 | C | S | . | . | trans | -56.1 | 132.6 | 176.6 | -167.6 | -179.8 | -179.1 | 99.3 | 1.9 | 109.3 | E8 F448 P449 P454 D471 D472 | E8-R469 IonicContact OE1-CZ 2.75Å; E8-R469 IonicContact OE1-NH1 2.84Å; E8-R469 PolarHBondContact OE1-NH1 3.36Å; E8-R469 IonicContact OE1-NH2 3.9Å; E8-R469 PolarHBondContact OE1-NH2 3.19Å; E8-R469 IonicContact OE2-CZ 3.92Å; E8-R469 IonicContact OE2-NH1 3.86Å; E8-R469 PolarHBondContact OE2-NH1 3.11Å; E8-R469 IonicContact OE2-NH2 3.24Å; F448-R469 HydrophobicContact CE1-CG 4.49Å; P449-R469 HydrophobicContact CB-CB 4.08Å; P449-R469 HydrophobicContact CG-CB 4.16Å; P449-R469 WeakPolarHBondContact O-CB 3.15Å; P449-R469 WeakPolarHBondContact O-CD 3.46Å; P449-R469 VanDerWaalsContact O-CG 3.25Å; P449-R469 WeakPolarHBondContact O-CG 3.46Å; P449-R469 PolarHBondContact O-NH1 3.04Å; P454-R469 PolarHBondContact O-N 3.01Å; R469-D471 PolarHBondContact O-N 2.85Å; R469-D471 VanDerWaalsContact O-N 3.08Å; R469-D472 IonicContact CZ-OD2 3.19Å; R469-D472 IonicContact NE-OD2 3.74Å; R469-D472 PolarHBondContact NE-OD2 3.38Å; R469-D472 IonicContact NH2-OD2 2.87Å; R469-D472 PolarHBondContact NH2-OD2 3.18Å | ||
| 470 | P | 62.6 | Low | 59.8 | Low | 27 Ų | 27 | 41.7 Ų | 41.7 | 18% | 0.175 | 25% | 0.252 | C | S | . | . | trans | -67.3 | 106.4 | 164.1 | -10.5 | 27.2 | 0 | 0 | 0 | 106.7 | W407 F409 D472 | W407-P470 HydrophobicContact CB-CG 4.28Å; W407-P470 HydrophobicContact CE3-CG 4.15Å; F409-P470 HydrophobicContact CD1-CG 4.41Å; F409-P470 HydrophobicContact CE1-CG 3.99Å; F409-P470 HydrophobicContact CZ-CG 4.2Å; P470-D472 PolarHBondContact O-N 3.33Å | ||
| 471 | D | 55.9 | Low | 60.1 | Low | 66 Ų | 66 | 42.9 Ų | 42.9 | 35% | 0.353 | 26% | 0.257 | S | S | . | . | trans | -57.7 | 109 | -173.6 | -82.1 | -14.2 | 0 | 0 | 0 | 111.7 | R469 T473 N474 S477 | R469-D471 PolarHBondContact O-N 2.85Å; R469-D471 VanDerWaalsContact O-N 3.08Å; D471-T473 PolarHBondContact O-N 3.27Å; D471-T473 VanDerWaalsContact O-N 3.17Å; D471-N474 HydrophobicContact CB-CB 4.01Å; D471-N474 PolarHBondContact OD2-ND2 3.41Å; D471-S477 WeakPolarHBondContact O-CB 3.4Å; D471-S477 PolarHBondContact O-OG 2.98Å | ||
| 472 | D | 41.2 | Very low | 61.5 | Low | 67 Ų | 67 | 40 Ų | 40 | 36% | 0.358 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -14 | -178 | -61.2 | -72.5 | 0 | 0 | 0 | 114.2 | W407 R469 P470 | W407-D472 WeakPolarHBondContact CZ3-OD1 3.48Å; R469-D472 IonicContact CZ-OD2 3.19Å; R469-D472 IonicContact NE-OD2 3.74Å; R469-D472 PolarHBondContact NE-OD2 3.38Å; R469-D472 IonicContact NH2-OD2 2.87Å; R469-D472 PolarHBondContact NH2-OD2 3.18Å; P470-D472 PolarHBondContact O-N 3.33Å |
| 473 | T | 36.8 | Very low | 63.5 | Low | 29 Ų | 29 | 37.8 Ų | 37.8 | 18% | 0.178 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.7 | -0.4 | -168.8 | 59.5 | 0 | 0 | 0 | 0 | 114.6 | D471 E743 | D471-T473 PolarHBondContact O-N 3.27Å; D471-T473 VanDerWaalsContact O-N 3.17Å; T473-E743 WeakPolarHBondContact CB-OE2 3.17Å; T473-E743 HydrophobicContact CG2-CB 4.21Å; T473-E743 VanDerWaalsContact CG2-CD 3.41Å; T473-E743 HydrophobicContact CG2-CG 4.32Å; T473-E743 VanDerWaalsContact CG2-OE2 3.25Å; T473-E743 WeakPolarHBondContact CG2-OE2 3.46Å; T473-E743 PolarHBondContact OG1-OE2 3.19Å |
| 474 | N | 37.9 | Very low | 65 | Low | 57 Ų | 57 | 37.1 Ų | 37.1 | 31% | 0.305 | 21% | 0.213 | S | C | . | . | trans | -108.4 | 139.4 | 173.1 | -73.9 | -43 | 0 | 0 | 0 | 110.7 | D471 S476 S477 | D471-N474 HydrophobicContact CB-CB 4.01Å; D471-N474 PolarHBondContact OD2-ND2 3.41Å; N474-S476 PolarHBondContact O-N 3.41Å; N474-S477 PolarHBondContact O-N 3.4Å; N474-S477 PolarHBondContact O-OG 3.47Å | ||
| 475 | A | 36.2 | Very low | 66 | Low | 12 Ų | 12 | 36.8 Ų | 36.8 | 10% | 0.099 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -52.4 | -17.3 | 163.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S477 F530 K671 Y747 | A475-S477 PolarHBondContact O-N 3.37Å; A475-F530 HydrophobicContact CB-CD1 3.92Å; A475-F530 HydrophobicContact CB-CD2 3.69Å; A475-F530 HydrophobicContact CB-CE1 3.67Å; A475-F530 HydrophobicContact CB-CE2 3.45Å; A475-F530 VanDerWaalsContact CB-CE2 3.45Å; A475-F530 HydrophobicContact CB-CG 3.93Å; A475-F530 HydrophobicContact CB-CZ 3.45Å; A475-F530 VanDerWaalsContact CB-CZ 3.45Å; A475-K671 WeakPolarHBondContact O-CE 3.41Å; A475-K671 PolarHBondContact O-NZ 3.11Å; A475-Y747 HydrophobicContact CB-CD1 4.33Å; A475-Y747 HydrophobicContact CB-CE1 4.36Å |
| 476 | S | 40.7 | Very low | 66.8 | Low | 55 Ų | 55 | 36.6 Ų | 36.6 | 39% | 0.385 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -63.9 | -26 | -175.8 | -55.6 | 0 | 0 | 0 | 0 | 115.9 | N474 S478 K671 | N474-S476 PolarHBondContact O-N 3.41Å; S476-S478 VanDerWaalsContact C-N 3.27Å; S476-S478 PolarHBondContact O-N 2.87Å; S476-K671 VanDerWaalsContact CA-NZ 3.33Å; S476-K671 PolarHBondContact O-NZ 2.76Å |
| 477 | S | 45.2 | Very low | 67.7 | Low | 45 Ų | 45 | 32.4 Ų | 32.4 | 32% | 0.315 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -64.3 | -5.3 | -160.1 | 49.7 | 0 | 0 | 0 | 0 | 119.1 | D471 N474 A475 | D471-S477 WeakPolarHBondContact O-CB 3.4Å; D471-S477 PolarHBondContact O-OG 2.98Å; N474-S477 PolarHBondContact O-N 3.4Å; N474-S477 PolarHBondContact O-OG 3.47Å; A475-S477 PolarHBondContact O-N 3.37Å |
| 478 | S | 52.5 | Low | 68.2 | Low | 6 Ų | 6 | 33.7 Ų | 33.7 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -64.5 | 146.3 | 166.6 | 71.8 | 0 | 0 | 0 | 0 | 112.1 | S476 C480 F483 E523 K671 | S476-S478 VanDerWaalsContact C-N 3.27Å; S476-S478 PolarHBondContact O-N 2.87Å; S478-C480 PolarHBondContact O-N 3.07Å; S478-C480 VanDerWaalsContact O-N 3.14Å; S478-F483 WeakPolarHBondContact OG-CE2 3.48Å; S478-E523 WeakPolarHBondContact CA-OE1 3.21Å; S478-K671 PolarHBondContact OG-NZ 3.37Å |
| 479 | S | 62.5 | Low | 69 | Low | 45 Ų | 45 | 29.5 Ų | 29.5 | 32% | 0.315 | 17% | 0.167 | S | C | . | . | trans | -56.6 | 119.4 | 164.9 | 153.4 | 0 | 0 | 0 | 0 | 111.1 | E481 S482 E523 | S479-E481 VanDerWaalsContact C-N 3.25Å; S479-E481 PolarHBondContact O-N 3.29Å; S479-E481 PolarHBondContact OG-N 2.79Å; S479-S482 WeakPolarHBondContact CB-OG 3.34Å; S479-S482 WeakPolarHBondContact O-CB 3.47Å; S479-S482 PolarHBondContact O-N 3.15Å; S479-S482 VanDerWaalsContact O-N 3.08Å; S479-S482 PolarHBondContact O-OG 2.94Å; S479-S482 PolarHBondContact OG-N 2.94Å; S479-S482 PolarHBondContact OG-OG 2.68Å; S479-E523 PolarHBondContact N-OE1 3.46Å | ||
| 480 | C | 79 | Confident | 70.1 | Confident | 24 Ų | 24 | 28.2 Ų | 28.2 | 16% | 0.162 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69 | -23.7 | 174.8 | -71.2 | 0 | 0 | 0 | 0 | 112.4 | S478 S482 F483 F484 T664 G667 | S478-C480 PolarHBondContact O-N 3.07Å; S478-C480 VanDerWaalsContact O-N 3.14Å; C480-S482 PolarHBondContact O-N 2.92Å; C480-F483 PolarHBondContact O-N 2.94Å; C480-F484 PolarHBondContact O-N 2.82Å; C480-T664 HydrophobicContact CB-CG2 3.84Å; C480-T664 WeakPolarHBondContact CB-O 3.33Å; C480-G667 VanDerWaalsContact O-CA 3.24Å; C480-G667 WeakPolarHBondContact O-CA 3.48Å |
| 481 | E | 81.7 | Confident | 71.5 | Confident | 31 Ų | 31 | 29.3 Ų | 29.3 | 15% | 0.145 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58 | -36.1 | 168.9 | -177.7 | 79.4 | 174.5 | 0 | 0 | 109.9 | S479 F483 F484 R485 R663 | S479-E481 VanDerWaalsContact C-N 3.25Å; S479-E481 PolarHBondContact O-N 3.29Å; S479-E481 PolarHBondContact OG-N 2.79Å; E481-F483 PolarHBondContact O-N 2.7Å; E481-F484 CarbonylContact O-C 3.54Å; E481-F484 WeakPolarHBondContact O-CA 3.5Å; E481-F484 WeakPolarHBondContact O-CB 3.17Å; E481-F484 PolarHBondContact O-N 3.4Å; E481-F484 VanDerWaalsContact O-N 3.11Å; E481-R485 HydrophobicContact CG-CG 4.33Å; E481-R485 WeakPolarHBondContact O-CG 3.48Å; E481-R485 PolarHBondContact O-N 2.9Å; E481-R485 IonicContact OE1-CZ 3.89Å; E481-R485 IonicContact OE1-NE 2.79Å; E481-R485 PolarHBondContact OE1-NE 3.46Å; E481-R485 IonicContact OE1-NH2 3.7Å; E481-R485 PolarHBondContact OE1-NH2 2.97Å; E481-R663 WeakPolarHBondContact OE1-CD 3.25Å; E481-R663 IonicContact OE1-NH1 2.66Å; E481-R663 PolarHBondContact OE1-NH1 3.41Å; E481-R663 VanDerWaalsContact OE1-NH1 3.1Å; E481-R663 WeakPolarHBondContact OE2-CB 3.49Å; E481-R663 WeakPolarHBondContact OE2-CD 3.2Å |
| 482 | S | 88.5 | Confident | 73.4 | Confident | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.007 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.4 | -40.5 | 179.8 | -49.4 | 0 | 0 | 0 | 0 | 111.7 | S479 C480 R485 L486 D520 E523 A524 | S479-S482 WeakPolarHBondContact CB-OG 3.34Å; S479-S482 WeakPolarHBondContact O-CB 3.47Å; S479-S482 PolarHBondContact O-N 3.15Å; S479-S482 VanDerWaalsContact O-N 3.08Å; S479-S482 PolarHBondContact O-OG 2.94Å; S479-S482 PolarHBondContact OG-N 2.94Å; S479-S482 PolarHBondContact OG-OG 2.68Å; C480-S482 PolarHBondContact O-N 2.92Å; S482-R485 WeakPolarHBondContact O-CB 3.37Å; S482-R485 PolarHBondContact O-N 2.73Å; S482-L486 PolarHBondContact O-N 2.86Å; S482-D520 WeakPolarHBondContact CB-O 3.49Å; S482-E523 WeakPolarHBondContact CB-OE2 3.33Å; S482-E523 PolarHBondContact OG-OE2 2.73Å; S482-A524 WeakPolarHBondContact O-CB 3.37Å |
| 483 | F | 93.7 | Very high | 75.9 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.6 | -34.8 | 170.8 | -84 | -87.7 | 0 | 0 | 0 | 113.3 | S478 C480 E481 L486 L487 A524 M528 I670 K671 F674 | S478-F483 WeakPolarHBondContact OG-CE2 3.48Å; C480-F483 PolarHBondContact O-N 2.94Å; E481-F483 PolarHBondContact O-N 2.7Å; F483-L486 HydrophobicContact CD1-CD2 4.44Å; F483-L487 PolarHBondContact O-N 3.03Å; F483-A524 HydrophobicContact CD1-CB 4.43Å; F483-A524 HydrophobicContact CD2-CB 4.32Å; F483-A524 HydrophobicContact CE2-CB 4.47Å; F483-A524 HydrophobicContact CG-CB 4.3Å; F483-A524 WeakPolarHBondContact CZ-O 3.44Å; F483-M528 HydrophobicContact CE1-CB 4.23Å; F483-M528 HydrophobicContact CZ-CB 4.43Å; F483-I670 HydrophobicContact CB-CB 4.38Å; F483-I670 HydrophobicContact CB-CG2 4.35Å; F483-I670 HydrophobicContact CD1-CG2 4Å; F483-I670 WeakPolarHBondContact O-CD1 3.49Å; F483-K671 HydrophobicContact CD1-CB 4.11Å; F483-K671 HydrophobicContact CD2-CB 4.15Å; F483-K671 HydrophobicContact CD2-CD 4.19Å; F483-K671 HydrophobicContact CD2-CG 4.41Å; F483-K671 HydrophobicContact CE1-CB 4.24Å; F483-K671 HydrophobicContact CE1-CG 4.44Å; F483-K671 HydrophobicContact CE2-CB 4.29Å; F483-K671 HydrophobicContact CE2-CD 3.91Å; F483-K671 HydrophobicContact CE2-CG 4.1Å; F483-K671 HydrophobicContact CG-CB 4.06Å; F483-K671 HydrophobicContact CZ-CB 4.32Å; F483-K671 HydrophobicContact CZ-CD 4.38Å; F483-K671 HydrophobicContact CZ-CG 4.1Å; F483-F674 HydrophobicContact CD1-CD2 4.43Å; F483-F674 HydrophobicContact CE1-CD2 4.14Å |
| 484 | F | 94.4 | Very high | 78.6 | Confident | 5 Ų | 5 | 26.1 Ų | 26.1 | 2% | 0.022 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.9 | -44.4 | 169.5 | 172.7 | -81.7 | 0 | 0 | 0 | 110.7 | C480 E481 L486 L487 D488 I621 M624 R663 I666 | C480-F484 PolarHBondContact O-N 2.82Å; E481-F484 CarbonylContact O-C 3.54Å; E481-F484 WeakPolarHBondContact O-CA 3.5Å; E481-F484 WeakPolarHBondContact O-CB 3.17Å; E481-F484 PolarHBondContact O-N 3.4Å; E481-F484 VanDerWaalsContact O-N 3.11Å; F484-L486 PolarHBondContact O-N 3.36Å; F484-L487 PolarHBondContact O-N 3.2Å; F484-D488 HydrophobicContact CD1-CB 4.34Å; F484-D488 HydrophobicContact CE1-CB 4.06Å; F484-D488 VanDerWaalsContact O-CB 3.24Å; F484-D488 WeakPolarHBondContact O-CB 3.47Å; F484-D488 PolarHBondContact O-N 3.32Å; F484-I621 HydrophobicContact CD2-CD1 4.04Å; F484-I621 HydrophobicContact CD2-CG1 4.02Å; F484-I621 HydrophobicContact CE2-CB 4.34Å; F484-I621 HydrophobicContact CE2-CD1 4.08Å; F484-I621 HydrophobicContact CE2-CG1 3.66Å; F484-I621 HydrophobicContact CE2-CG2 3.99Å; F484-I621 HydrophobicContact CZ-CG1 4.38Å; F484-I621 HydrophobicContact CZ-CG2 3.86Å; F484-M624 HydrophobicContact CE2-CE 3.98Å; F484-M624 HydrophobicContact CZ-CE 3.85Å; F484-R663 HydrophobicContact CB-CB 4.44Å; F484-R663 HydrophobicContact CD1-CB 4.18Å; F484-R663 HydrophobicContact CD1-CG 4.15Å; F484-R663 HydrophobicContact CD2-CB 3.82Å; F484-R663 HydrophobicContact CD2-CG 4.06Å; F484-R663 HydrophobicContact CE1-CB 4.45Å; F484-R663 HydrophobicContact CE1-CG 3.93Å; F484-R663 HydrophobicContact CE2-CB 4.07Å; F484-R663 HydrophobicContact CE2-CG 3.78Å; F484-R663 HydrophobicContact CG-CB 3.89Å; F484-R663 HydrophobicContact CG-CG 4.24Å; F484-R663 HydrophobicContact CZ-CB 4.4Å; F484-R663 HydrophobicContact CZ-CG 3.75Å; F484-I666 HydrophobicContact CD2-CB 4.13Å; F484-I666 HydrophobicContact CD2-CG2 4Å; F484-I666 HydrophobicContact CE2-CD1 4.37Å |
| 485 | R | 92.1 | Very high | 81.4 | Confident | 68 Ų | 68 | 23.4 Ų | 23.4 | 26% | 0.257 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -64.3 | -37.3 | 179.5 | -67 | -78.3 | 173.1 | -175.3 | 2.2 | 112.8 | E481 S482 D488 N489 D520 | E481-R485 HydrophobicContact CG-CG 4.33Å; E481-R485 WeakPolarHBondContact O-CG 3.48Å; E481-R485 PolarHBondContact O-N 2.9Å; E481-R485 IonicContact OE1-CZ 3.89Å; E481-R485 IonicContact OE1-NE 2.79Å; E481-R485 PolarHBondContact OE1-NE 3.46Å; E481-R485 IonicContact OE1-NH2 3.7Å; E481-R485 PolarHBondContact OE1-NH2 2.97Å; S482-R485 WeakPolarHBondContact O-CB 3.37Å; S482-R485 PolarHBondContact O-N 2.73Å; R485-D488 PolarHBondContact O-N 3.07Å; R485-N489 PolarHBondContact O-N 3.23Å; R485-N489 PolarHBondContact O-ND2 3.5Å; R485-D520 HydrophobicContact CB-CB 3.93Å; R485-D520 HydrophobicContact CG-CB 4.13Å; R485-D520 WeakPolarHBondContact CG-OD2 3.39Å; R485-D520 IonicContact NE-OD2 3.2Å |
| 486 | L | 95.8 | Very high | 84.2 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -54.9 | -55.5 | 172.6 | -177.5 | 70.9 | 0 | 0 | 0 | 110.9 | S482 F483 F484 L490 I495 I521 A524 L525 M528 | S482-L486 PolarHBondContact O-N 2.86Å; F483-L486 HydrophobicContact CD1-CD2 4.44Å; F484-L486 PolarHBondContact O-N 3.36Å; L486-L490 HydrophobicContact CD1-CD1 3.86Å; L486-L490 WeakPolarHBondContact O-CB 3.18Å; L486-L490 PolarHBondContact O-N 2.71Å; L486-I495 HydrophobicContact CD1-CG1 4.37Å; L486-I495 HydrophobicContact CD2-CG2 3.87Å; L486-I495 HydrophobicContact CG-CD1 4.19Å; L486-I495 HydrophobicContact CG-CG1 4.17Å; L486-I495 HydrophobicContact CG-CG2 4.21Å; L486-I521 HydrophobicContact CD1-CG2 3.86Å; L486-A524 HydrophobicContact CB-CB 3.95Å; L486-A524 HydrophobicContact CD2-CB 4.05Å; L486-A524 HydrophobicContact CG-CB 4.41Å; L486-L525 HydrophobicContact CD1-CD2 3.85Å; L486-L525 HydrophobicContact CD1-CG 4.23Å; L486-M528 HydrophobicContact CD2-SD 4.22Å |
| 487 | L | 95.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -76.1 | -21.6 | -178.8 | -169.2 | 60.5 | 0 | 0 | 0 | 113.7 | F483 F484 V492 I495 L614 L617 K618 I621 I670 | F483-L487 PolarHBondContact O-N 3.03Å; F484-L487 PolarHBondContact O-N 3.2Å; L487-V492 HydrophobicContact CD1-CG2 3.94Å; L487-I495 HydrophobicContact CB-CD1 4.41Å; L487-I495 HydrophobicContact CD1-CD1 3.67Å; L487-L614 HydrophobicContact CD1-CB 4.45Å; L487-L614 HydrophobicContact CD2-CD2 4.36Å; L487-L617 HydrophobicContact CD2-CB 3.74Å; L487-K618 HydrophobicContact CD1-CB 4.08Å; L487-K618 HydrophobicContact CD1-CD 4.2Å; L487-K618 HydrophobicContact CD1-CG 4.35Å; L487-K618 HydrophobicContact CD2-CB 4.12Å; L487-K618 HydrophobicContact CG-CB 4Å; L487-K618 HydrophobicContact CG-CG 4.27Å; L487-K618 PolarHBondContact O-NZ 3.35Å; L487-I621 HydrophobicContact CB-CD1 3.99Å; L487-I621 HydrophobicContact CD2-CD1 4.01Å; L487-I621 HydrophobicContact CG-CD1 4Å; L487-I670 HydrophobicContact CB-CD1 3.68Å; L487-I670 HydrophobicContact CD2-CD1 3.58Å; L487-I670 HydrophobicContact CD2-CG1 3.76Å; L487-I670 HydrophobicContact CG-CD1 4.28Å |
| 488 | D | 94.4 | Very high | 89.1 | Confident | 28 Ų | 28 | 19.3 Ų | 19.3 | 15% | 0.15 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -74.6 | -42.7 | 176.5 | -168.3 | 46.3 | 0 | 0 | 0 | 112.4 | F484 R485 I621 K625 | F484-D488 HydrophobicContact CD1-CB 4.34Å; F484-D488 HydrophobicContact CE1-CB 4.06Å; F484-D488 VanDerWaalsContact O-CB 3.24Å; F484-D488 WeakPolarHBondContact O-CB 3.47Å; F484-D488 PolarHBondContact O-N 3.32Å; R485-D488 PolarHBondContact O-N 3.07Å; D488-I621 HydrophobicContact CB-CG2 4.26Å; D488-I621 WeakPolarHBondContact OD1-CG2 3.24Å; D488-K625 WeakPolarHBondContact OD1-CE 2.85Å; D488-K625 IonicContact OD1-NZ 3.64Å; D488-K625 PolarHBondContact OD1-NZ 3.1Å; D488-K625 WeakPolarHBondContact OD2-CE 3.49Å; D488-K625 IonicContact OD2-NZ 2.57Å; D488-K625 PolarHBondContact OD2-NZ 2.78Å |
| 489 | N | 92 | Very high | 91.2 | Very high | 24 Ų | 24 | 19 Ų | 19 | 13% | 0.128 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -84.2 | -41.5 | 179.1 | -66 | -86.4 | 0 | 0 | 0 | 112.7 | R485 R514 I521 N584 | R485-N489 PolarHBondContact O-N 3.23Å; R485-N489 PolarHBondContact O-ND2 3.5Å; N489-R514 PolarHBondContact OD1-NH1 2.92Å; N489-R514 PolarHBondContact OD1-NH2 3.46Å; N489-I521 HydrophobicContact CB-CD1 3.98Å; N489-N584 PolarHBondContact O-ND2 2.83Å |
| 490 | L | 93.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -96.3 | 157.2 | -169.8 | -56.6 | -174 | 0 | 0 | 0 | 114.4 | L486 L494 I495 L498 I521 L579 L581 N584 K618 | L486-L490 HydrophobicContact CD1-CD1 3.86Å; L486-L490 WeakPolarHBondContact O-CB 3.18Å; L486-L490 PolarHBondContact O-N 2.71Å; L490-L494 HydrophobicContact CD2-CD2 4.13Å; L490-I495 HydrophobicContact CB-CD1 4Å; L490-I495 HydrophobicContact CB-CG1 3.63Å; L490-I495 HydrophobicContact CD1-CG1 4.17Å; L490-L498 HydrophobicContact CD1-CD1 3.69Å; L490-I521 HydrophobicContact CD1-CG2 4.35Å; L490-I521 HydrophobicContact CG-CD1 4.27Å; L490-L579 HydrophobicContact CD1-CD2 4.42Å; L490-L579 HydrophobicContact CD2-CD1 4.48Å; L490-L581 HydrophobicContact CD1-CD2 4.47Å; L490-L581 HydrophobicContact CD2-CD2 3.9Å; L490-N584 VanDerWaalsContact CA-OD1 3.27Å; L490-N584 WeakPolarHBondContact CA-OD1 3.49Å; L490-K618 PolarHBondContact O-NZ 2.77Å |
| 491 | S | 92.1 | Very high | 93.4 | Very high | 50 Ų | 50 | 15.9 Ų | 15.9 | 35% | 0.35 | 8% | 0.082 | S | C | . | . | trans | -77.4 | 151.3 | 170.2 | 83.9 | 0 | 0 | 0 | 0 | 111.7 | D493 L494 I495 N584 | S491-D493 VanDerWaalsContact C-N 3.33Å; S491-D493 PolarHBondContact O-N 2.74Å; S491-L494 PolarHBondContact O-N 3.33Å; S491-L494 VanDerWaalsContact O-N 3.16Å; S491-L494 WeakPolarHBondContact OG-CB 3.46Å; S491-L494 PolarHBondContact OG-N 2.83Å; S491-I495 WeakPolarHBondContact O-CG1 3.24Å; S491-I495 PolarHBondContact O-N 3.3Å; S491-N584 PolarHBondContact N-OD1 2.58Å | ||
| 492 | V | 95.6 | Very high | 94 | Very high | 5 Ų | 5 | 14.4 Ų | 14.4 | 3% | 0.03 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -60.1 | -43.4 | -178.3 | 176.4 | 0 | 0 | 0 | 0 | 111.6 | L487 L494 I495 I496 K611 L614 L615 K618 | L487-V492 HydrophobicContact CD1-CG2 3.94Å; V492-L494 VanDerWaalsContact C-N 3.32Å; V492-L494 PolarHBondContact O-N 2.99Å; V492-I495 PolarHBondContact O-N 3.07Å; V492-I496 HydrophobicContact CG1-CD1 3.99Å; V492-I496 WeakPolarHBondContact O-CG1 3.36Å; V492-I496 PolarHBondContact O-N 2.78Å; V492-I496 VanDerWaalsContact O-N 3.12Å; V492-K611 HydrophobicContact CG1-CG 4Å; V492-L614 HydrophobicContact CB-CB 4.45Å; V492-L614 HydrophobicContact CG1-CB 3.63Å; V492-L614 HydrophobicContact CG1-CD1 4.01Å; V492-L614 HydrophobicContact CG1-CG 4.5Å; V492-L614 HydrophobicContact CG2-CB 3.98Å; V492-L615 HydrophobicContact CB-CD2 4.37Å; V492-L615 HydrophobicContact CG2-CD2 3.9Å; V492-L615 HydrophobicContact CG2-CG 4.2Å; V492-K618 HydrophobicContact CG2-CD 4.17Å |
| 493 | D | 93.4 | Very high | 94.3 | Very high | 77 Ų | 77 | 14.3 Ų | 14.3 | 41% | 0.412 | 7% | 0.074 | S | C | . | . | H | α-helix | trans | -63.8 | -35.8 | 177 | -74.3 | -73.8 | 0 | 0 | 0 | 112.8 | S491 Q497 K611 | S491-D493 VanDerWaalsContact C-N 3.33Å; S491-D493 PolarHBondContact O-N 2.74Å; D493-Q497 WeakPolarHBondContact O-CB 3.1Å; D493-Q497 PolarHBondContact O-N 3.1Å; D493-K611 IonicContact OD1-NZ 3.82Å; D493-K611 PolarHBondContact OD1-NZ 3.2Å; D493-K611 WeakPolarHBondContact OD2-CE 3.33Å; D493-K611 IonicContact OD2-NZ 3.9Å; D493-K611 PolarHBondContact OD2-NZ 3.09Å |
| 494 | L | 93 | Very high | 94.3 | Very high | 13 Ų | 13 | 14.8 Ų | 14.8 | 7% | 0.068 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -70.8 | -40.4 | 176.7 | 178.5 | 53.6 | 0 | 0 | 0 | 112.3 | L490 S491 V492 I496 Q497 L498 L579 N584 F586 | L490-L494 HydrophobicContact CD2-CD2 4.13Å; S491-L494 PolarHBondContact O-N 3.33Å; S491-L494 VanDerWaalsContact O-N 3.16Å; S491-L494 WeakPolarHBondContact OG-CB 3.46Å; S491-L494 PolarHBondContact OG-N 2.83Å; V492-L494 VanDerWaalsContact C-N 3.32Å; V492-L494 PolarHBondContact O-N 2.99Å; L494-I496 VanDerWaalsContact C-N 3.3Å; L494-I496 PolarHBondContact O-N 2.89Å; L494-Q497 WeakPolarHBondContact O-CB 3.11Å; L494-Q497 PolarHBondContact O-N 2.96Å; L494-Q497 VanDerWaalsContact O-N 3.16Å; L494-L498 HydrophobicContact CD1-CD1 4.26Å; L494-L498 HydrophobicContact CD1-CG 4.22Å; L494-L498 HydrophobicContact CG-CD1 4.18Å; L494-L498 VanDerWaalsContact O-CG 3.3Å; L494-L498 WeakPolarHBondContact O-CG 3.36Å; L494-L498 PolarHBondContact O-N 2.92Å; L494-L579 HydrophobicContact CD1-CD1 4.26Å; L494-L579 HydrophobicContact CD2-CD1 3.75Å; L494-L579 HydrophobicContact CG-CD1 4.37Å; L494-N584 HydrophobicContact CD2-CB 4.31Å; L494-N584 WeakPolarHBondContact CD2-OD1 3.46Å; L494-F586 HydrophobicContact CD1-CB 3.49Å; L494-F586 VanDerWaalsContact CD1-CB 3.49Å; L494-F586 HydrophobicContact CD1-CD1 4.27Å; L494-F586 HydrophobicContact CD1-CD2 3.84Å; L494-F586 HydrophobicContact CD1-CG 3.59Å |
| 495 | I | 96.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.3 | -41.1 | 175.5 | -60.4 | 160.2 | 0 | 0 | 0 | 110.4 | L486 L487 L490 S491 V492 L498 L499 M528 F674 | L486-I495 HydrophobicContact CD1-CG1 4.37Å; L486-I495 HydrophobicContact CD2-CG2 3.87Å; L486-I495 HydrophobicContact CG-CD1 4.19Å; L486-I495 HydrophobicContact CG-CG1 4.17Å; L486-I495 HydrophobicContact CG-CG2 4.21Å; L487-I495 HydrophobicContact CB-CD1 4.41Å; L487-I495 HydrophobicContact CD1-CD1 3.67Å; L490-I495 HydrophobicContact CB-CD1 4Å; L490-I495 HydrophobicContact CB-CG1 3.63Å; L490-I495 HydrophobicContact CD1-CG1 4.17Å; S491-I495 WeakPolarHBondContact O-CG1 3.24Å; S491-I495 PolarHBondContact O-N 3.3Å; V492-I495 PolarHBondContact O-N 3.07Å; I495-L498 PolarHBondContact O-N 2.81Å; I495-L499 PolarHBondContact O-N 2.84Å; I495-M528 HydrophobicContact CG2-SD 3.82Å; I495-F674 HydrophobicContact CG2-CE1 4.28Å; I495-F674 HydrophobicContact CG2-CE2 4.4Å; I495-F674 HydrophobicContact CG2-CZ 3.58Å |
| 496 | I | 96.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.005 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -64.3 | -40.4 | 174.1 | -66.7 | 167.7 | 0 | 0 | 0 | 111.1 | V492 L494 L498 L499 V500 L602 L607 L610 K611 L614 | V492-I496 HydrophobicContact CG1-CD1 3.99Å; V492-I496 WeakPolarHBondContact O-CG1 3.36Å; V492-I496 PolarHBondContact O-N 2.78Å; V492-I496 VanDerWaalsContact O-N 3.12Å; L494-I496 VanDerWaalsContact C-N 3.3Å; L494-I496 PolarHBondContact O-N 2.89Å; I496-L498 VanDerWaalsContact C-N 3.34Å; I496-L498 PolarHBondContact O-N 3.49Å; I496-L499 WeakPolarHBondContact O-CB 3.23Å; I496-L499 PolarHBondContact O-N 3.07Å; I496-V500 PolarHBondContact O-N 3.21Å; I496-V500 VanDerWaalsContact O-N 3.16Å; I496-L602 HydrophobicContact CG2-CD1 4.28Å; I496-L607 HydrophobicContact CD1-CD1 4.19Å; I496-L607 HydrophobicContact CG2-CD1 3.66Å; I496-L610 HydrophobicContact CG1-CD2 4.39Å; I496-K611 HydrophobicContact CD1-CB 3.96Å; I496-K611 HydrophobicContact CD1-CD 4.46Å; I496-K611 HydrophobicContact CD1-CG 4.28Å; I496-L614 HydrophobicContact CG1-CD1 4.47Å |
| 497 | Q | 93.4 | Very high | 94.1 | Very high | 25 Ų | 25 | 15.3 Ų | 15.3 | 12% | 0.117 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.8 | -39.4 | 176 | -174 | 60.3 | 33.1 | 0 | 0 | 112 | D493 L494 V500 Q501 F586 F597 | D493-Q497 WeakPolarHBondContact O-CB 3.1Å; D493-Q497 PolarHBondContact O-N 3.1Å; L494-Q497 WeakPolarHBondContact O-CB 3.11Å; L494-Q497 PolarHBondContact O-N 2.96Å; L494-Q497 VanDerWaalsContact O-N 3.16Å; Q497-V500 WeakPolarHBondContact O-CB 3.48Å; Q497-V500 PolarHBondContact O-N 2.93Å; Q497-Q501 WeakPolarHBondContact O-CG 3.49Å; Q497-Q501 PolarHBondContact O-N 2.59Å; Q497-Q501 VanDerWaalsContact O-N 3.1Å; Q497-Q501 PolarHBondContact O-NE2 3.13Å; Q497-F586 HydrophobicContact CG-CD1 4.21Å; Q497-F586 HydrophobicContact CG-CE1 3.6Å; Q497-F586 HydrophobicContact CG-CZ 3.96Å; Q497-F597 PolarHBondContact NE2-O 2.61Å |
| 498 | L | 94.9 | Very high | 94 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -68 | -37.2 | 175.4 | -67.8 | 165 | 0 | 0 | 0 | 112.2 | L490 L494 I495 I496 V500 Q501 L502 I508 L525 L579 F586 | L490-L498 HydrophobicContact CD1-CD1 3.69Å; L494-L498 HydrophobicContact CD1-CD1 4.26Å; L494-L498 HydrophobicContact CD1-CG 4.22Å; L494-L498 HydrophobicContact CG-CD1 4.18Å; L494-L498 VanDerWaalsContact O-CG 3.3Å; L494-L498 WeakPolarHBondContact O-CG 3.36Å; L494-L498 PolarHBondContact O-N 2.92Å; I495-L498 PolarHBondContact O-N 2.81Å; I496-L498 VanDerWaalsContact C-N 3.34Å; I496-L498 PolarHBondContact O-N 3.49Å; L498-V500 VanDerWaalsContact C-N 3.28Å; L498-V500 PolarHBondContact O-N 3.13Å; L498-Q501 PolarHBondContact O-N 3.35Å; L498-Q501 VanDerWaalsContact O-N 3.11Å; L498-L502 WeakPolarHBondContact O-CG 3.38Å; L498-L502 PolarHBondContact O-N 2.77Å; L498-I508 HydrophobicContact CD2-CG2 4.42Å; L498-L525 HydrophobicContact CB-CD2 4.16Å; L498-L525 HydrophobicContact CD1-CD2 4.41Å; L498-L579 HydrophobicContact CD1-CD2 3.6Å; L498-L579 HydrophobicContact CD2-CD2 3.96Å; L498-L579 HydrophobicContact CG-CD2 4.41Å; L498-F586 HydrophobicContact CD2-CD2 4.32Å; L498-F586 HydrophobicContact CD2-CE2 4Å |
| 499 | L | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -56.3 | -42.7 | 170.6 | 177.8 | 61.8 | 0 | 0 | 0 | 111.2 | I495 I496 L502 L503 M528 I529 L610 F674 F677 | I495-L499 PolarHBondContact O-N 2.84Å; I496-L499 WeakPolarHBondContact O-CB 3.23Å; I496-L499 PolarHBondContact O-N 3.07Å; L499-L502 PolarHBondContact O-N 2.94Å; L499-L503 HydrophobicContact CD1-CD1 3.74Å; L499-L503 HydrophobicContact CD1-CG 3.96Å; L499-L503 HydrophobicContact CG-CD1 3.83Å; L499-L503 HydrophobicContact CG-CG 4.42Å; L499-L503 WeakPolarHBondContact O-CB 3.33Å; L499-L503 VanDerWaalsContact O-CG 3.22Å; L499-L503 WeakPolarHBondContact O-CG 3.34Å; L499-L503 PolarHBondContact O-N 2.68Å; L499-M528 HydrophobicContact CB-CE 3.71Å; L499-M528 HydrophobicContact CB-SD 4.34Å; L499-M528 HydrophobicContact CD1-CE 3.93Å; L499-M528 HydrophobicContact CD1-CG 4.19Å; L499-M528 HydrophobicContact CD1-SD 4.45Å; L499-M528 HydrophobicContact CG-CE 4.4Å; L499-I529 HydrophobicContact CD1-CG2 3.93Å; L499-L610 HydrophobicContact CD2-CD2 4.27Å; L499-F674 HydrophobicContact CD2-CD1 4.16Å; L499-F674 HydrophobicContact CD2-CE1 4.2Å; L499-F677 HydrophobicContact CD2-CD1 3.89Å; L499-F677 HydrophobicContact CD2-CE1 3.79Å |
| 500 | V | 95 | Very high | 94.1 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62.8 | -43.5 | 173.7 | 177.6 | 0 | 0 | 0 | 0 | 111.8 | I496 Q497 L498 L502 L503 T504 F597 L602 | I496-V500 PolarHBondContact O-N 3.21Å; I496-V500 VanDerWaalsContact O-N 3.16Å; Q497-V500 WeakPolarHBondContact O-CB 3.48Å; Q497-V500 PolarHBondContact O-N 2.93Å; L498-V500 VanDerWaalsContact C-N 3.28Å; L498-V500 PolarHBondContact O-N 3.13Å; V500-L502 VanDerWaalsContact C-N 3.34Å; V500-L502 PolarHBondContact O-N 2.67Å; V500-L503 PolarHBondContact O-N 3.21Å; V500-T504 PolarHBondContact O-N 2.88Å; V500-T504 VanDerWaalsContact O-N 3.14Å; V500-T504 PolarHBondContact O-OG1 3.15Å; V500-F597 HydrophobicContact CG1-CB 3.48Å; V500-F597 VanDerWaalsContact CG1-CB 3.48Å; V500-L602 HydrophobicContact CG2-CD1 3.66Å; V500-L602 HydrophobicContact CG2-CD2 4.23Å; V500-L602 HydrophobicContact CG2-CG 3.97Å |
| 501 | Q | 93.6 | Very high | 94.1 | Very high | 2 Ų | 2 | 12.8 Ų | 12.8 | 1% | 0.009 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -64.5 | -36.9 | 179.2 | -57.8 | -42.4 | -87.7 | 0 | 0 | 112.4 | Q497 L498 E505 Q506 I508 A577 F586 P589 F597 | Q497-Q501 WeakPolarHBondContact O-CG 3.49Å; Q497-Q501 PolarHBondContact O-N 2.59Å; Q497-Q501 VanDerWaalsContact O-N 3.1Å; Q497-Q501 PolarHBondContact O-NE2 3.13Å; L498-Q501 PolarHBondContact O-N 3.35Å; L498-Q501 VanDerWaalsContact O-N 3.11Å; Q501-E505 PolarHBondContact O-N 3.39Å; Q501-Q506 HydrophobicContact CB-CB 4.21Å; Q501-Q506 HydrophobicContact CB-CG 4.45Å; Q501-Q506 PolarHBondContact O-N 3.38Å; Q501-I508 HydrophobicContact CB-CD1 3.7Å; Q501-I508 HydrophobicContact CB-CG1 4.05Å; Q501-A577 HydrophobicContact CG-CB 4.44Å; Q501-F586 HydrophobicContact CG-CE2 4.49Å; Q501-F586 HydrophobicContact CG-CZ 4.07Å; Q501-P589 VanDerWaalsContact OE1-CD 3.24Å; Q501-F597 PolarHBondContact NE2-O 3.49Å |
| 502 | L | 94.7 | Very high | 94 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -71.5 | -46.7 | 177.3 | -70.2 | 159.7 | 0 | 0 | 0 | 111.7 | L498 L499 V500 T504 E505 I508 L525 M528 I529 W534 L557 Q727 | L498-L502 WeakPolarHBondContact O-CG 3.38Å; L498-L502 PolarHBondContact O-N 2.77Å; L499-L502 PolarHBondContact O-N 2.94Å; V500-L502 VanDerWaalsContact C-N 3.34Å; V500-L502 PolarHBondContact O-N 2.67Å; L502-T504 PolarHBondContact O-N 3.07Å; L502-E505 PolarHBondContact O-N 3.17Å; L502-E505 VanDerWaalsContact O-N 3.09Å; L502-I508 HydrophobicContact CD2-CD1 3.67Å; L502-I508 HydrophobicContact CG-CD1 3.74Å; L502-L525 HydrophobicContact CD1-CB 3.86Å; L502-L525 HydrophobicContact CD1-CD2 3.89Å; L502-L525 HydrophobicContact CD1-CG 4.31Å; L502-M528 HydrophobicContact CD1-CE 3.6Å; L502-I529 HydrophobicContact CB-CG2 3.83Å; L502-I529 HydrophobicContact CD1-CG2 4.45Å; L502-W534 HydrophobicContact CD2-CE3 3.89Å; L502-W534 HydrophobicContact CD2-CH2 4.48Å; L502-W534 HydrophobicContact CD2-CZ3 3.83Å; L502-L557 HydrophobicContact CD2-CD2 4.32Å; L502-Q727 PolarHBondContact O-NE2 2.88Å |
| 503 | L | 95.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -64.3 | -18.8 | 178.3 | -69.6 | 174.5 | 0 | 0 | 0 | 113 | L499 V500 I529 L532 M678 L681 F718 L722 Q727 | L499-L503 HydrophobicContact CD1-CD1 3.74Å; L499-L503 HydrophobicContact CD1-CG 3.96Å; L499-L503 HydrophobicContact CG-CD1 3.83Å; L499-L503 HydrophobicContact CG-CG 4.42Å; L499-L503 WeakPolarHBondContact O-CB 3.33Å; L499-L503 VanDerWaalsContact O-CG 3.22Å; L499-L503 WeakPolarHBondContact O-CG 3.34Å; L499-L503 PolarHBondContact O-N 2.68Å; V500-L503 PolarHBondContact O-N 3.21Å; L503-I529 HydrophobicContact CD2-CB 4.19Å; L503-I529 HydrophobicContact CD2-CG2 3.82Å; L503-I529 HydrophobicContact CG-CG2 4.15Å; L503-L532 HydrophobicContact CD2-CD1 3.77Å; L503-M678 HydrophobicContact CD1-SD 4.23Å; L503-M678 HydrophobicContact CD2-CE 3.85Å; L503-M678 HydrophobicContact CD2-SD 4.08Å; L503-L681 HydrophobicContact CD1-CD2 3.86Å; L503-F718 HydrophobicContact CB-CE2 3.98Å; L503-F718 HydrophobicContact CB-CZ 4.18Å; L503-F718 HydrophobicContact CD1-CE2 4.33Å; L503-F718 HydrophobicContact CD1-CZ 4.02Å; L503-L722 HydrophobicContact CB-CD1 4.38Å; L503-L722 HydrophobicContact CD2-CD1 4.45Å; L503-L722 WeakPolarHBondContact O-CD1 3.5Å; L503-Q727 PolarHBondContact O-NE2 3.16Å |
| 504 | T | 93.2 | Very high | 93 | Very high | 9 Ų | 9 | 11.6 Ų | 11.6 | 6% | 0.055 | 5% | 0.052 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 16.8 | 175.6 | 55.7 | 0 | 0 | 0 | 0 | 113.5 | V500 L502 Q506 F597 F718 A721 | V500-T504 PolarHBondContact O-N 2.88Å; V500-T504 VanDerWaalsContact O-N 3.14Å; V500-T504 PolarHBondContact O-OG1 3.15Å; L502-T504 PolarHBondContact O-N 3.07Å; T504-Q506 PolarHBondContact O-N 3.25Å; T504-Q506 PolarHBondContact O-NE2 3.31Å; T504-F597 HydrophobicContact CG2-CD2 4.06Å; T504-F597 HydrophobicContact CG2-CE2 4.26Å; T504-F597 HydrophobicContact CG2-CG 4.49Å; T504-F718 HydrophobicContact CG2-CD2 4.09Å; T504-F718 HydrophobicContact CG2-CE2 4.22Å; T504-A721 HydrophobicContact CG2-CB 4.05Å |
| 505 | E | 93.4 | Very high | 92.8 | Very high | 20 Ų | 20 | 11.4 Ų | 11.4 | 9% | 0.093 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44 | 52.2 | 178.7 | -71.9 | -173.3 | 162.5 | 0 | 0 | 114.4 | Q501 L502 W534 P555 T725 Q726 Q727 | Q501-E505 PolarHBondContact O-N 3.39Å; L502-E505 PolarHBondContact O-N 3.17Å; L502-E505 VanDerWaalsContact O-N 3.09Å; E505-W534 HydrophobicContact CG-CZ3 4.17Å; E505-P555 HydrophobicContact CB-CB 3.99Å; E505-P555 HydrophobicContact CB-CG 3.91Å; E505-P555 VanDerWaalsContact O-CB 3.26Å; E505-P555 WeakPolarHBondContact O-CB 3.43Å; E505-P555 VanDerWaalsContact O-CG 3.23Å; E505-P555 WeakPolarHBondContact O-CG 3.46Å; E505-T725 HydrophobicContact CB-CG2 3.97Å; E505-T725 HydrophobicContact CG-CG2 3.77Å; E505-T725 WeakPolarHBondContact OE2-CA 3.45Å; E505-T725 WeakPolarHBondContact OE2-CB 3.39Å; E505-Q726 PolarHBondContact OE1-N 2.95Å; E505-Q726 PolarHBondContact OE2-N 2.86Å; E505-Q727 HydrophobicContact CG-CG 4.13Å; E505-Q727 WeakPolarHBondContact OE1-CB 3.4Å; E505-Q727 WeakPolarHBondContact OE1-CG 3.35Å; E505-Q727 PolarHBondContact OE1-N 2.94Å |
| 506 | Q | 91 | Very high | 92.4 | Very high | 26 Ų | 26 | 12.5 Ų | 12.5 | 12% | 0.121 | 6% | 0.058 | C | C | . | . | trans | -82.1 | 161.8 | 174.9 | -59 | -58.1 | -63.5 | 0 | 0 | 112.2 | Q501 T504 I508 | Q501-Q506 HydrophobicContact CB-CB 4.21Å; Q501-Q506 HydrophobicContact CB-CG 4.45Å; Q501-Q506 PolarHBondContact O-N 3.38Å; T504-Q506 PolarHBondContact O-N 3.25Å; T504-Q506 PolarHBondContact O-NE2 3.31Å; Q506-I508 PolarHBondContact O-N 2.95Å | ||
| 507 | K | 92.5 | Very high | 92.2 | Very high | 39 Ų | 39 | 12.9 Ų | 12.9 | 17% | 0.17 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 101.7 | 172.8 | -69.2 | 179 | 173.4 | -168.3 | 0 | 110.3 | S552 P553 Y556 A577 | K507-S552 WeakPolarHBondContact CE-O 3.21Å; K507-S552 PolarHBondContact NZ-O 3.35Å; K507-P553 WeakPolarHBondContact CE-O 3.39Å; K507-Y556 HydrophobicContact CB-CD1 4.19Å; K507-Y556 HydrophobicContact CB-CD2 4.48Å; K507-Y556 HydrophobicContact CB-CE1 3.79Å; K507-Y556 HydrophobicContact CB-CE2 4.09Å; K507-Y556 HydrophobicContact CD-CD1 4.32Å; K507-Y556 HydrophobicContact CD-CE1 3.71Å; K507-Y556 HydrophobicContact CG-CD1 3.9Å; K507-Y556 HydrophobicContact CG-CE1 3.68Å; K507-A577 WeakPolarHBondContact O-CB 3.29Å; K507-A577 PolarHBondContact O-N 2.76Å |
| 508 | I | 94.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 118.4 | -177.1 | -55.7 | 172.2 | 0 | 0 | 0 | 110.2 | L498 Q501 L502 Q506 M510 Y556 L557 I558 A577 | L498-I508 HydrophobicContact CD2-CG2 4.42Å; Q501-I508 HydrophobicContact CB-CD1 3.7Å; Q501-I508 HydrophobicContact CB-CG1 4.05Å; L502-I508 HydrophobicContact CD2-CD1 3.67Å; L502-I508 HydrophobicContact CG-CD1 3.74Å; Q506-I508 PolarHBondContact O-N 2.95Å; I508-M510 HydrophobicContact CG2-CG 4.2Å; I508-Y556 PolarHBondContact N-O 3.39Å; I508-Y556 WeakPolarHBondContact O-CD2 3.31Å; I508-L557 HydrophobicContact CB-CD1 3.79Å; I508-L557 HydrophobicContact CD1-CD1 4.5Å; I508-L557 HydrophobicContact CG2-CD1 3.6Å; I508-L557 WeakPolarHBondContact O-CA 3.17Å; I508-I558 PolarHBondContact O-N 2.79Å; I508-A577 WeakPolarHBondContact CA-O 3.48Å; I508-A577 HydrophobicContact CG1-CB 4.44Å |
| 509 | L | 94 | Very high | 92.1 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 112.3 | 174.7 | -175.9 | 64.2 | 0 | 0 | 0 | 110.4 | I550 Y556 I558 M560 L570 I576 A577 Y578 L579 | L509-I550 HydrophobicContact CD1-CD1 3.74Å; L509-I550 HydrophobicContact CD1-CG1 4.11Å; L509-I550 HydrophobicContact CD2-CD1 4.13Å; L509-I550 HydrophobicContact CD2-CG2 4.07Å; L509-Y556 HydrophobicContact CB-CE2 4.29Å; L509-I558 CarbonylContact C-O 3.57Å; L509-I558 WeakPolarHBondContact CA-O 3.34Å; L509-I558 HydrophobicContact CD1-CB 4.06Å; L509-I558 HydrophobicContact CD1-CG2 3.9Å; L509-M560 HydrophobicContact CD1-CG 3.97Å; L509-M560 HydrophobicContact CD1-SD 3.8Å; L509-M560 HydrophobicContact CD2-SD 3.78Å; L509-M560 HydrophobicContact CG-CG 4.37Å; L509-M560 HydrophobicContact CG-SD 3.9Å; L509-L570 HydrophobicContact CD2-CD1 4.06Å; L509-L570 HydrophobicContact CD2-CD2 3.5Å; L509-L570 HydrophobicContact CD2-CG 4.41Å; L509-I576 HydrophobicContact CB-CG2 3.63Å; L509-I576 HydrophobicContact CD2-CG2 4.31Å; L509-A577 PolarHBondContact N-O 2.89Å; L509-Y578 HydrophobicContact CD2-CD2 4.37Å; L509-Y578 HydrophobicContact CG-CD2 4.38Å; L509-Y578 WeakPolarHBondContact O-CA 3.44Å; L509-Y578 WeakPolarHBondContact O-CD2 3.32Å; L509-L579 PolarHBondContact O-N 3.18Å |
| 510 | M | 95.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 141.8 | 177.2 | -52.2 | -172 | -65.2 | 0 | 0 | 110.7 | I508 L518 I521 L525 L557 I558 G559 M560 L579 L581 | I508-M510 HydrophobicContact CG2-CG 4.2Å; M510-L518 HydrophobicContact CB-CD2 3.82Å; M510-I521 HydrophobicContact SD-CG2 3.97Å; M510-L525 HydrophobicContact SD-CD1 3.7Å; M510-L557 HydrophobicContact CE-CD1 3.98Å; M510-L557 HydrophobicContact CE-CG 4.45Å; M510-L557 HydrophobicContact CG-CD1 4.2Å; M510-L557 HydrophobicContact SD-CD1 4.03Å; M510-I558 PolarHBondContact N-O 3.32Å; M510-G559 CarbonylContact O-C 3.58Å; M510-G559 VanDerWaalsContact O-CA 3.29Å; M510-G559 WeakPolarHBondContact O-CA 3.48Å; M510-M560 WeakPolarHBondContact O-CG 3.46Å; M510-M560 PolarHBondContact O-N 2.95Å; M510-L579 CarbonylContact C-O 3.56Å; M510-L579 VanDerWaalsContact CA-O 3.3Å; M510-L579 WeakPolarHBondContact CA-O 3.46Å; M510-L579 HydrophobicContact CG-CD2 4.12Å; M510-L579 HydrophobicContact SD-CD2 4.37Å; M510-L581 HydrophobicContact CB-CD1 4.28Å; M510-L581 HydrophobicContact CB-CG 4.41Å; M510-L581 HydrophobicContact SD-CD2 4.48Å |
| 511 | S | 92.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 144.4 | 171.3 | 71.6 | 0 | 0 | 0 | 0 | 113.6 | M560 Y578 L579 L581 | S511-M560 VanDerWaalsContact CA-O 3.26Å; S511-M560 WeakPolarHBondContact CA-O 3.31Å; S511-Y578 WeakPolarHBondContact OG-CE2 3.46Å; S511-Y578 PolarHBondContact OG-OH 2.88Å; S511-L579 PolarHBondContact N-O 3Å; S511-L581 PolarHBondContact O-N 3.42Å |
| 512 | S | 90.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 163.2 | 169.2 | -172.5 | 0 | 0 | 0 | 0 | 109.7 | R514 M560 D561 S562 D582 | S512-R514 VanDerWaalsContact C-N 3.32Å; S512-R514 WeakPolarHBondContact OG-CB 3.43Å; S512-R514 PolarHBondContact OG-N 3.27Å; S512-M560 PolarHBondContact N-O 3Å; S512-D561 VanDerWaalsContact O-CA 3.3Å; S512-D561 WeakPolarHBondContact O-CA 3.22Å; S512-S562 PolarHBondContact O-N 3.47Å; S512-D582 WeakPolarHBondContact CA-OD2 3.34Å; S512-D582 WeakPolarHBondContact CB-OD2 3.35Å; S512-D582 PolarHBondContact OG-OD1 2.69Å; S512-D582 PolarHBondContact OG-OD2 3.17Å |
| 513 | V | 82.8 | Confident | 91.7 | Very high | 17 Ų | 17 | 14.5 Ų | 14.5 | 10% | 0.103 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -80.6 | -19.2 | 160.9 | -168.8 | 0 | 0 | 0 | 0 | 111 | L162 L206 H515 S562 D582 | L162-V513 HydrophobicContact CD2-CB 4.12Å; L162-V513 HydrophobicContact CD2-CG1 4.18Å; L162-V513 HydrophobicContact CD2-CG2 3.85Å; L206-V513 HydrophobicContact CD1-CG1 4.27Å; L206-V513 HydrophobicContact CD2-CG1 3.66Å; L206-V513 HydrophobicContact CG-CG1 3.93Å; V513-H515 PolarHBondContact O-N 3.19Å; V513-H515 PolarHBondContact O-ND1 2.7Å; V513-S562 WeakPolarHBondContact CG2-OG 3.25Å; V513-D582 PolarHBondContact N-OD2 3.4Å |
| 514 | R | 86.7 | Confident | 91.6 | Very high | 90 Ų | 90 | 14.5 Ų | 14.5 | 34% | 0.34 | 7% | 0.07 | S | C | . | . | trans | -93.6 | 90.5 | -175.4 | -61.6 | 177.3 | -70.4 | 147.1 | 5.6 | 111 | N489 S512 S516 V517 L518 D582 | N489-R514 PolarHBondContact OD1-NH1 2.92Å; N489-R514 PolarHBondContact OD1-NH2 3.46Å; S512-R514 VanDerWaalsContact C-N 3.32Å; S512-R514 WeakPolarHBondContact OG-CB 3.43Å; S512-R514 PolarHBondContact OG-N 3.27Å; R514-S516 VanDerWaalsContact C-N 3.28Å; R514-S516 PolarHBondContact O-N 2.9Å; R514-V517 HydrophobicContact CB-CB 3.97Å; R514-V517 HydrophobicContact CB-CG2 3.77Å; R514-V517 WeakPolarHBondContact O-CB 3.07Å; R514-V517 PolarHBondContact O-N 2.84Å; R514-L518 PolarHBondContact O-N 3.28Å; R514-D582 IonicContact CZ-OD1 3.28Å; R514-D582 IonicContact NE-OD1 3.6Å; R514-D582 PolarHBondContact NE-OD1 2.63Å; R514-D582 IonicContact NH2-OD1 3.45Å; R514-D582 PolarHBondContact NH2-OD1 2.83Å | ||
| 515 | H | 88.2 | Confident | 91.7 | Very high | 10 Ų | 10 | 14.1 Ų | 14.1 | 5% | 0.046 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -50.6 | -40.6 | -179 | -65.8 | 76 | 0 | 0 | 0 | 114 | F316 V513 V517 L518 S519 Y541 D561 | F316-H515 HydrophobicContact CB-CB 3.83Å; F316-H515 HydrophobicContact CD1-CB 4.12Å; F316-H515 HydrophobicContact CD2-CB 4.44Å; F316-H515 HydrophobicContact CG-CB 3.89Å; V513-H515 PolarHBondContact O-N 3.19Å; V513-H515 PolarHBondContact O-ND1 2.7Å; H515-V517 VanDerWaalsContact C-N 3.32Å; H515-V517 PolarHBondContact O-N 3.06Å; H515-L518 PolarHBondContact O-N 3.05Å; H515-S519 PolarHBondContact O-N 3.43Å; H515-S519 PolarHBondContact O-OG 3.23Å; H515-Y541 AromaticContact CD2-CD2 3.83Å; H515-D561 IonicContact CE1-OD2 3.74Å; H515-D561 PolarHBondContact CE1-OD2 2.87Å; H515-D561 IonicContact NE2-OD2 3.14Å |
| 516 | S | 88.1 | Confident | 91.7 | Very high | 24 Ų | 24 | 14.1 Ų | 14.1 | 17% | 0.168 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -61.7 | -37.8 | 175.2 | 3.3 | 0 | 0 | 0 | 0 | 112.7 | S315 R514 S519 D520 | S315-S516 VanDerWaalsContact O-CB 3.25Å; S315-S516 WeakPolarHBondContact O-CB 3.5Å; S315-S516 PolarHBondContact O-OG 3.14Å; R514-S516 VanDerWaalsContact C-N 3.28Å; R514-S516 PolarHBondContact O-N 2.9Å; S516-S519 PolarHBondContact O-N 3.42Å; S516-D520 WeakPolarHBondContact O-CB 3.45Å; S516-D520 PolarHBondContact O-N 2.76Å |
| 517 | V | 91.5 | Very high | 91.7 | Very high | 8 Ų | 8 | 15.9 Ų | 15.9 | 5% | 0.048 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -73.4 | -31.7 | -176.7 | 178.7 | 0 | 0 | 0 | 0 | 111.6 | R514 H515 I521 L581 | R514-V517 HydrophobicContact CB-CB 3.97Å; R514-V517 HydrophobicContact CB-CG2 3.77Å; R514-V517 WeakPolarHBondContact O-CB 3.07Å; R514-V517 PolarHBondContact O-N 2.84Å; H515-V517 VanDerWaalsContact C-N 3.32Å; H515-V517 PolarHBondContact O-N 3.06Å; V517-I521 HydrophobicContact CG1-CD1 3.7Å; V517-I521 HydrophobicContact CG1-CG1 4.32Å; V517-I521 VanDerWaalsContact O-CB 3.25Å; V517-I521 WeakPolarHBondContact O-CB 3.23Å; V517-I521 VanDerWaalsContact O-CG1 3.3Å; V517-I521 WeakPolarHBondContact O-CG1 3.3Å; V517-I521 PolarHBondContact O-N 2.96Å; V517-L581 HydrophobicContact CG1-CD1 4.45Å |
| 518 | L | 94 | Very high | 91.8 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -60.5 | -47.2 | 169.4 | -76.1 | 158.2 | 0 | 0 | 0 | 111 | M510 R514 H515 G522 M560 L581 | M510-L518 HydrophobicContact CB-CD2 3.82Å; R514-L518 PolarHBondContact O-N 3.28Å; H515-L518 PolarHBondContact O-N 3.05Å; L518-G522 PolarHBondContact O-N 3.18Å; L518-M560 WeakPolarHBondContact CD1-O 3.26Å; L518-L581 HydrophobicContact CD2-CD1 3.54Å; L518-L581 HydrophobicContact CG-CD1 3.97Å |
| 519 | S | 91.6 | Very high | 91.8 | Very high | 10 Ų | 10 | 14.1 Ų | 14.1 | 7% | 0.07 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -71.5 | -44.1 | -178.7 | -54.9 | 0 | 0 | 0 | 0 | 113.4 | T317 H515 S516 I521 G522 E523 | T317-S519 VanDerWaalsContact O-CB 3.3Å; T317-S519 WeakPolarHBondContact O-CB 3.44Å; T317-S519 PolarHBondContact O-OG 3.41Å; H515-S519 PolarHBondContact O-N 3.43Å; H515-S519 PolarHBondContact O-OG 3.23Å; S516-S519 PolarHBondContact O-N 3.42Å; S519-I521 VanDerWaalsContact C-N 3.33Å; S519-I521 PolarHBondContact O-N 3.3Å; S519-G522 PolarHBondContact O-N 3.17Å; S519-E523 WeakPolarHBondContact O-CB 3.45Å; S519-E523 PolarHBondContact O-N 3.26Å |
| 520 | D | 91.1 | Very high | 91.8 | Very high | 30 Ų | 30 | 15 Ų | 15 | 16% | 0.16 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -58 | -46.2 | 174.9 | -68.1 | -16.5 | 0 | 0 | 0 | 110.6 | S482 R485 S516 A524 | S482-D520 WeakPolarHBondContact CB-O 3.49Å; R485-D520 HydrophobicContact CB-CB 3.93Å; R485-D520 HydrophobicContact CG-CB 4.13Å; R485-D520 WeakPolarHBondContact CG-OD2 3.39Å; R485-D520 IonicContact NE-OD2 3.2Å; S516-D520 WeakPolarHBondContact O-CB 3.45Å; S516-D520 PolarHBondContact O-N 2.76Å; D520-A524 WeakPolarHBondContact O-CB 3.48Å; D520-A524 PolarHBondContact O-N 2.84Å |
| 521 | I | 94.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -73.3 | -41 | -178.5 | -69.4 | -180 | 0 | 0 | 0 | 110.9 | L486 N489 L490 M510 V517 S519 E523 A524 L525 L581 | L486-I521 HydrophobicContact CD1-CG2 3.86Å; N489-I521 HydrophobicContact CB-CD1 3.98Å; L490-I521 HydrophobicContact CD1-CG2 4.35Å; L490-I521 HydrophobicContact CG-CD1 4.27Å; M510-I521 HydrophobicContact SD-CG2 3.97Å; V517-I521 HydrophobicContact CG1-CD1 3.7Å; V517-I521 HydrophobicContact CG1-CG1 4.32Å; V517-I521 VanDerWaalsContact O-CB 3.25Å; V517-I521 WeakPolarHBondContact O-CB 3.23Å; V517-I521 VanDerWaalsContact O-CG1 3.3Å; V517-I521 WeakPolarHBondContact O-CG1 3.3Å; V517-I521 PolarHBondContact O-N 2.96Å; S519-I521 VanDerWaalsContact C-N 3.33Å; S519-I521 PolarHBondContact O-N 3.3Å; I521-E523 VanDerWaalsContact C-N 3.32Å; I521-E523 PolarHBondContact O-N 3.42Å; I521-A524 PolarHBondContact O-N 3.08Å; I521-L525 HydrophobicContact CG2-CD1 3.94Å; I521-L525 HydrophobicContact CG2-CG 4.15Å; I521-L525 WeakPolarHBondContact O-CB 3.16Å; I521-L525 VanDerWaalsContact O-CG 3.22Å; I521-L525 WeakPolarHBondContact O-CG 3.45Å; I521-L525 PolarHBondContact O-N 3.44Å; I521-L581 HydrophobicContact CD1-CD1 4.24Å; I521-L581 HydrophobicContact CD1-CD2 3.92Å; I521-L581 HydrophobicContact CG2-CD2 4.11Å |
| 522 | G | 94.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -56.7 | -44.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L518 S519 L525 I526 Y538 | L518-G522 PolarHBondContact O-N 3.18Å; S519-G522 PolarHBondContact O-N 3.17Å; G522-L525 PolarHBondContact O-N 2.94Å; G522-I526 PolarHBondContact O-N 3.24Å; G522-I526 VanDerWaalsContact O-N 3.16Å; G522-Y538 WeakPolarHBondContact CA-OH 3.22Å; G522-Y538 PolarHBondContact O-OH 2.73Å |
| 523 | E | 90.7 | Very high | 91.9 | Very high | 22 Ų | 22 | 18.6 Ų | 18.6 | 10% | 0.103 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.2 | -52.7 | 175 | -171.4 | -164.9 | 177.9 | 0 | 0 | 110.9 | S478 S479 S482 S519 I521 L525 I526 Y527 Y538 | S478-E523 WeakPolarHBondContact CA-OE1 3.21Å; S479-E523 PolarHBondContact N-OE1 3.46Å; S482-E523 WeakPolarHBondContact CB-OE2 3.33Å; S482-E523 PolarHBondContact OG-OE2 2.73Å; S519-E523 WeakPolarHBondContact O-CB 3.45Å; S519-E523 PolarHBondContact O-N 3.26Å; I521-E523 VanDerWaalsContact C-N 3.32Å; I521-E523 PolarHBondContact O-N 3.42Å; E523-L525 VanDerWaalsContact C-N 3.27Å; E523-L525 PolarHBondContact O-N 3.26Å; E523-I526 WeakPolarHBondContact O-CG1 3.4Å; E523-I526 PolarHBondContact O-N 2.82Å; E523-Y527 HydrophobicContact CG-CD2 3.89Å; E523-Y527 HydrophobicContact CG-CE2 3.8Å; E523-Y527 VanDerWaalsContact O-CD2 3.25Å; E523-Y527 WeakPolarHBondContact O-CD2 3.36Å; E523-Y527 PolarHBondContact O-N 3.47Å; E523-Y538 PolarHBondContact N-OH 2.6Å; E523-Y538 VanDerWaalsContact N-OH 3.13Å |
| 524 | A | 94 | Very high | 92.3 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -57.6 | -41.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112 | S482 F483 L486 D520 I521 Y527 M528 | S482-A524 WeakPolarHBondContact O-CB 3.37Å; F483-A524 HydrophobicContact CD1-CB 4.43Å; F483-A524 HydrophobicContact CD2-CB 4.32Å; F483-A524 HydrophobicContact CE2-CB 4.47Å; F483-A524 HydrophobicContact CG-CB 4.3Å; F483-A524 WeakPolarHBondContact CZ-O 3.44Å; L486-A524 HydrophobicContact CB-CB 3.95Å; L486-A524 HydrophobicContact CD2-CB 4.05Å; L486-A524 HydrophobicContact CG-CB 4.41Å; D520-A524 WeakPolarHBondContact O-CB 3.48Å; D520-A524 PolarHBondContact O-N 2.84Å; I521-A524 PolarHBondContact O-N 3.08Å; A524-Y527 PolarHBondContact O-N 2.81Å; A524-M528 VanDerWaalsContact O-CB 3.31Å; A524-M528 WeakPolarHBondContact O-CB 3.24Å; A524-M528 PolarHBondContact O-N 3.06Å |
| 525 | L | 95.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.9 | -45.2 | 178.6 | -72.9 | -179.9 | 0 | 0 | 0 | 112.9 | L486 L498 L502 M510 I521 G522 E523 Y527 M528 L557 | L486-L525 HydrophobicContact CD1-CD2 3.85Å; L486-L525 HydrophobicContact CD1-CG 4.23Å; L498-L525 HydrophobicContact CB-CD2 4.16Å; L498-L525 HydrophobicContact CD1-CD2 4.41Å; L502-L525 HydrophobicContact CD1-CB 3.86Å; L502-L525 HydrophobicContact CD1-CD2 3.89Å; L502-L525 HydrophobicContact CD1-CG 4.31Å; M510-L525 HydrophobicContact SD-CD1 3.7Å; I521-L525 HydrophobicContact CG2-CD1 3.94Å; I521-L525 HydrophobicContact CG2-CG 4.15Å; I521-L525 WeakPolarHBondContact O-CB 3.16Å; I521-L525 VanDerWaalsContact O-CG 3.22Å; I521-L525 WeakPolarHBondContact O-CG 3.45Å; I521-L525 PolarHBondContact O-N 3.44Å; G522-L525 PolarHBondContact O-N 2.94Å; E523-L525 VanDerWaalsContact C-N 3.27Å; E523-L525 PolarHBondContact O-N 3.26Å; L525-Y527 VanDerWaalsContact C-N 3.29Å; L525-Y527 PolarHBondContact O-N 3.11Å; L525-M528 HydrophobicContact CD2-CE 3.58Å; L525-M528 HydrophobicContact CD2-SD 4.47Å; L525-M528 WeakPolarHBondContact O-CB 3.42Å; L525-M528 PolarHBondContact O-N 2.84Å; L525-L557 HydrophobicContact CB-CD2 4.21Å; L525-L557 HydrophobicContact CD1-CD1 4.28Å |
| 526 | I | 92.8 | Very high | 92.3 | Very high | 20 Ų | 20 | 18.5 Ų | 18.5 | 10% | 0.103 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -69.9 | -23.1 | -179.4 | 62.9 | 167.2 | 0 | 0 | 0 | 113.7 | G522 E523 I529 W534 Y538 L557 | G522-I526 PolarHBondContact O-N 3.24Å; G522-I526 VanDerWaalsContact O-N 3.16Å; E523-I526 WeakPolarHBondContact O-CG1 3.4Å; E523-I526 PolarHBondContact O-N 2.82Å; I526-I529 WeakPolarHBondContact O-CG1 3.4Å; I526-W534 HydrophobicContact CB-CB 4.21Å; I526-W534 HydrophobicContact CG2-CB 3.89Å; I526-W534 HydrophobicContact CG2-CG 4.2Å; I526-Y538 HydrophobicContact CD1-CD1 4.17Å; I526-Y538 HydrophobicContact CD1-CE1 3.79Å; I526-Y538 HydrophobicContact CG2-CD2 4.09Å; I526-Y538 HydrophobicContact CG2-CE2 4.14Å; I526-Y538 HydrophobicContact CG2-CG 4.34Å; I526-L557 HydrophobicContact CG2-CD2 3.7Å |
| 527 | Y | 91.3 | Very high | 92.5 | Very high | 63 Ų | 63 | 19.4 Ų | 19.4 | 25% | 0.247 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -93.1 | -16.3 | 175.1 | -72.2 | -73.6 | 0 | 0 | 0 | 113.6 | E523 A524 L525 I529 F530 | E523-Y527 HydrophobicContact CG-CD2 3.89Å; E523-Y527 HydrophobicContact CG-CE2 3.8Å; E523-Y527 VanDerWaalsContact O-CD2 3.25Å; E523-Y527 WeakPolarHBondContact O-CD2 3.36Å; E523-Y527 PolarHBondContact O-N 3.47Å; A524-Y527 PolarHBondContact O-N 2.81Å; L525-Y527 VanDerWaalsContact C-N 3.29Å; L525-Y527 PolarHBondContact O-N 3.11Å; Y527-I529 PolarHBondContact O-N 3.16Å; Y527-F530 PolarHBondContact O-N 2.94Å |
| 528 | M | 94.1 | Very high | 92.6 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.01 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.1 | -26 | 178.3 | -172.7 | 177.1 | 57.8 | 0 | 0 | 113.1 | F483 L486 I495 L499 L502 A524 L525 F674 | F483-M528 HydrophobicContact CE1-CB 4.23Å; F483-M528 HydrophobicContact CZ-CB 4.43Å; L486-M528 HydrophobicContact CD2-SD 4.22Å; I495-M528 HydrophobicContact CG2-SD 3.82Å; L499-M528 HydrophobicContact CB-CE 3.71Å; L499-M528 HydrophobicContact CB-SD 4.34Å; L499-M528 HydrophobicContact CD1-CE 3.93Å; L499-M528 HydrophobicContact CD1-CG 4.19Å; L499-M528 HydrophobicContact CD1-SD 4.45Å; L499-M528 HydrophobicContact CG-CE 4.4Å; L502-M528 HydrophobicContact CD1-CE 3.6Å; A524-M528 VanDerWaalsContact O-CB 3.31Å; A524-M528 WeakPolarHBondContact O-CB 3.24Å; A524-M528 PolarHBondContact O-N 3.06Å; L525-M528 HydrophobicContact CD2-CE 3.58Å; L525-M528 HydrophobicContact CD2-SD 4.47Å; L525-M528 WeakPolarHBondContact O-CB 3.42Å; L525-M528 PolarHBondContact O-N 2.84Å; M528-F674 HydrophobicContact CG-CB 4.03Å; M528-F674 HydrophobicContact CG-CD1 3.47Å; M528-F674 VanDerWaalsContact CG-CD1 3.47Å; M528-F674 HydrophobicContact CG-CD2 3.85Å; M528-F674 HydrophobicContact CG-CE1 3.81Å; M528-F674 HydrophobicContact CG-CE2 4.16Å; M528-F674 HydrophobicContact CG-CG 3.5Å; M528-F674 HydrophobicContact CG-CZ 4.16Å; M528-F674 HydrophobicContact SD-CD1 3.83Å; M528-F674 HydrophobicContact SD-CD2 4.3Å; M528-F674 HydrophobicContact SD-CE1 3.48Å; M528-F674 WeakPolarHBondContact SD-CE1 3.07Å; M528-F674 HydrophobicContact SD-CE2 3.98Å; M528-F674 HydrophobicContact SD-CG 4.24Å; M528-F674 HydrophobicContact SD-CZ 3.58Å; M528-F674 VanDerWaalsContact SD-CZ 3.58Å |
| 529 | I | 94.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 6.4 | -178.5 | 55.4 | 164 | 0 | 0 | 0 | 114.6 | L499 L502 L503 I526 Y527 L532 W534 Q727 | L499-I529 HydrophobicContact CD1-CG2 3.93Å; L502-I529 HydrophobicContact CB-CG2 3.83Å; L502-I529 HydrophobicContact CD1-CG2 4.45Å; L503-I529 HydrophobicContact CD2-CB 4.19Å; L503-I529 HydrophobicContact CD2-CG2 3.82Å; L503-I529 HydrophobicContact CG-CG2 4.15Å; I526-I529 WeakPolarHBondContact O-CG1 3.4Å; Y527-I529 PolarHBondContact O-N 3.16Å; I529-L532 HydrophobicContact CB-CB 4.49Å; I529-L532 HydrophobicContact CD1-CB 4.39Å; I529-L532 WeakPolarHBondContact O-CA 3.4Å; I529-L532 VanDerWaalsContact O-CB 3.31Å; I529-L532 WeakPolarHBondContact O-CB 3.3Å; I529-L532 PolarHBondContact O-N 3.46Å; I529-W534 HydrophobicContact CD1-CB 4.3Å; I529-Q727 VanDerWaalsContact CD1-OE1 3.24Å |
| 530 | F | 93.5 | Very high | 92.6 | Very high | 19 Ų | 19 | 21.2 Ų | 21.2 | 8% | 0.083 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 128.3 | 177 | 177.4 | -88 | 0 | 0 | 0 | 111 | A475 Y527 L675 M678 E744 Y747 F748 | A475-F530 HydrophobicContact CB-CD1 3.92Å; A475-F530 HydrophobicContact CB-CD2 3.69Å; A475-F530 HydrophobicContact CB-CE1 3.67Å; A475-F530 HydrophobicContact CB-CE2 3.45Å; A475-F530 VanDerWaalsContact CB-CE2 3.45Å; A475-F530 HydrophobicContact CB-CG 3.93Å; A475-F530 HydrophobicContact CB-CZ 3.45Å; A475-F530 VanDerWaalsContact CB-CZ 3.45Å; Y527-F530 PolarHBondContact O-N 2.94Å; F530-L675 HydrophobicContact CD1-CD1 3.68Å; F530-L675 HydrophobicContact CE1-CD1 3.82Å; F530-M678 WeakPolarHBondContact O-CB 3.37Å; F530-M678 VanDerWaalsContact O-CG 3.29Å; F530-M678 WeakPolarHBondContact O-CG 3.17Å; F530-E744 HydrophobicContact CE2-CB 4.16Å; F530-E744 HydrophobicContact CZ-CB 4.47Å; F530-E744 WeakPolarHBondContact CZ-O 3.42Å; F530-Y747 HydrophobicContact CE1-CD1 4.37Å; F530-Y747 HydrophobicContact CZ-CD1 4.43Å; F530-F748 HydrophobicContact CD1-CD2 4.31Å; F530-F748 HydrophobicContact CE1-CB 3.85Å; F530-F748 AromaticContact CE1-CD2 3.85Å; F530-F748 HydrophobicContact CE1-CD2 3.85Å; F530-F748 HydrophobicContact CE1-CG 4.24Å; F530-F748 HydrophobicContact CZ-CB 4.03Å |
| 531 | P | 94.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -92.1 | -1.4 | 24.5 | 39.4 | -40.6 | 0 | 0 | 0 | 115.4 | L682 F731 R741 L745 F748 | P531-L682 HydrophobicContact CG-CD1 3.81Å; P531-F731 HydrophobicContact CB-CD2 4.26Å; P531-F731 HydrophobicContact CB-CE2 3.83Å; P531-F731 HydrophobicContact CG-CD2 4.18Å; P531-F731 HydrophobicContact CG-CE2 3.62Å; P531-F731 HydrophobicContact CG-CZ 4.16Å; P531-R741 PolarHBondContact O-NH2 3.21Å; P531-L745 HydrophobicContact CB-CD2 4.29Å; P531-F748 HydrophobicContact CB-CB 4.23Å; P531-F748 HydrophobicContact CB-CD1 4.02Å; P531-F748 HydrophobicContact CB-CD2 4.09Å; P531-F748 HydrophobicContact CB-CE1 4.41Å; P531-F748 HydrophobicContact CB-CE2 4.49Å; P531-F748 HydrophobicContact CB-CG 3.84Å; P531-F748 HydrophobicContact CG-CD1 3.75Å; P531-F748 HydrophobicContact CG-CD2 4.02Å; P531-F748 HydrophobicContact CG-CE1 3.63Å; P531-F748 HydrophobicContact CG-CE2 3.94Å; P531-F748 HydrophobicContact CG-CG 3.93Å; P531-F748 HydrophobicContact CG-CZ 3.74Å |
| 532 | L | 95.5 | Very high | 92.3 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -70.4 | 155.7 | 172.8 | -48.7 | 180 | 0 | 0 | 0 | 109 | L503 I529 M678 L722 Q727 W728 F731 | L503-L532 HydrophobicContact CD2-CD1 3.77Å; I529-L532 HydrophobicContact CB-CB 4.49Å; I529-L532 HydrophobicContact CD1-CB 4.39Å; I529-L532 WeakPolarHBondContact O-CA 3.4Å; I529-L532 VanDerWaalsContact O-CB 3.31Å; I529-L532 WeakPolarHBondContact O-CB 3.3Å; I529-L532 PolarHBondContact O-N 3.46Å; L532-M678 HydrophobicContact CD1-CE 4.33Å; L532-M678 HydrophobicContact CG-CE 4.41Å; L532-L722 HydrophobicContact CD1-CD1 3.89Å; L532-Q727 HydrophobicContact CB-CB 4.46Å; L532-Q727 HydrophobicContact CB-CG 4.5Å; L532-Q727 HydrophobicContact CD1-CG 4.31Å; L532-W728 HydrophobicContact CD2-CE3 4.04Å; L532-W728 HydrophobicContact CD2-CZ3 4.49Å; L532-F731 HydrophobicContact CD2-CB 3.65Å; L532-F731 HydrophobicContact CD2-CD1 4.14Å; L532-F731 HydrophobicContact CD2-CD2 4.2Å; L532-F731 HydrophobicContact CD2-CG 3.74Å |
| 533 | K | 90.9 | Very high | 92 | Very high | 74 Ų | 74 | 21 Ų | 21 | 32% | 0.322 | 10% | 0.103 | S | C | . | . | trans | -127.1 | 133.8 | 174.7 | -75.5 | -173.6 | 174.8 | 176.3 | 0 | 109.2 | T535 Q727 E744 | K533-T535 HydrophobicContact CB-CG2 4.45Å; K533-T535 PolarHBondContact O-N 2.91Å; K533-T535 VanDerWaalsContact O-N 3.11Å; K533-Q727 WeakPolarHBondContact O-CB 3.36Å; K533-E744 WeakPolarHBondContact CE-OE1 3.44Å; K533-E744 WeakPolarHBondContact CE-OE2 3.12Å; K533-E744 IonicContact NZ-OE1 3.36Å; K533-E744 PolarHBondContact NZ-OE1 3.37Å; K533-E744 IonicContact NZ-OE2 2.71Å; K533-E744 PolarHBondContact NZ-OE2 3.4Å | ||
| 534 | W | 91.5 | Very high | 91.6 | Very high | 18 Ų | 18 | 20 Ų | 20 | 7% | 0.068 | 10% | 0.099 | C | C | . | . | trans | -66.5 | 110.2 | 171.2 | -168.6 | -92.4 | 0 | 0 | 0 | 109.4 | L502 E505 I526 I529 V536 V537 P555 L557 | L502-W534 HydrophobicContact CD2-CE3 3.89Å; L502-W534 HydrophobicContact CD2-CH2 4.48Å; L502-W534 HydrophobicContact CD2-CZ3 3.83Å; E505-W534 HydrophobicContact CG-CZ3 4.17Å; I526-W534 HydrophobicContact CB-CB 4.21Å; I526-W534 HydrophobicContact CG2-CB 3.89Å; I526-W534 HydrophobicContact CG2-CG 4.2Å; I529-W534 HydrophobicContact CD1-CB 4.3Å; W534-V536 HydrophobicContact CZ2-CB 4.46Å; W534-V537 PolarHBondContact NE1-O 3.34Å; W534-P555 HydrophobicContact CH2-CB 4.3Å; W534-P555 HydrophobicContact CZ2-CB 4.34Å; W534-L557 HydrophobicContact CZ2-CB 4.23Å | ||
| 535 | T | 85.7 | Confident | 90.8 | Very high | 58 Ų | 58 | 20.3 Ų | 20.3 | 36% | 0.356 | 10% | 0.101 | S | C | . | . | trans | -112.2 | 4 | -175.6 | 47 | 0 | 0 | 0 | 0 | 113.9 | K533 N730 | K533-T535 HydrophobicContact CB-CG2 4.45Å; K533-T535 PolarHBondContact O-N 2.91Å; K533-T535 VanDerWaalsContact O-N 3.11Å; T535-N730 WeakPolarHBondContact CB-ND2 3.48Å; T535-N730 PolarHBondContact OG1-ND2 3.25Å | ||
| 536 | V | 88.9 | Confident | 90.3 | Very high | 38 Ų | 38 | 21.7 Ų | 21.7 | 23% | 0.23 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -99 | -165.5 | 176.9 | -141.4 | 0 | 0 | 0 | 0 | 109.6 | W534 Y538 P555 | W534-V536 HydrophobicContact CZ2-CB 4.46Å; V536-Y538 PolarHBondContact O-N 2.7Å; V536-P555 HydrophobicContact CB-CB 4.26Å; V536-P555 WeakPolarHBondContact CB-O 3.37Å; V536-P555 HydrophobicContact CG1-CB 4.14Å; V536-P555 WeakPolarHBondContact CG1-O 3.29Å; V536-P555 HydrophobicContact CG2-CB 4.13Å |
| 537 | V | 92.2 | Very high | 89.9 | Confident | 44 Ų | 44 | 20.8 Ų | 20.8 | 27% | 0.267 | 11% | 0.106 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 127.5 | -176.2 | 176.2 | 0 | 0 | 0 | 0 | 110.6 | W534 I539 Y556 L557 I558 | W534-V537 PolarHBondContact NE1-O 3.34Å; V537-I539 HydrophobicContact CG1-CD1 4Å; V537-I539 HydrophobicContact CG1-CG1 3.99Å; V537-Y556 CarbonylContact O-C 3.57Å; V537-Y556 WeakPolarHBondContact O-CA 3.41Å; V537-L557 PolarHBondContact O-N 3.03Å; V537-I558 HydrophobicContact CG1-CD1 4.41Å; V537-I558 HydrophobicContact CG1-CG1 4.4Å |
| 538 | Y | 93.3 | Very high | 89.4 | Confident | 19 Ų | 19 | 21.8 Ų | 21.8 | 8% | 0.075 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 121 | 172.1 | 174.8 | -124.5 | 0 | 0 | 0 | 110 | M319 G522 E523 I526 V536 P540 L557 | M319-Y538 HydrophobicContact CE-CD1 3.99Å; M319-Y538 HydrophobicContact CE-CE1 3.64Å; M319-Y538 HydrophobicContact SD-CD1 3.83Å; M319-Y538 HydrophobicContact SD-CE1 4.09Å; G522-Y538 WeakPolarHBondContact CA-OH 3.22Å; G522-Y538 PolarHBondContact O-OH 2.73Å; E523-Y538 PolarHBondContact N-OH 2.6Å; E523-Y538 VanDerWaalsContact N-OH 3.13Å; I526-Y538 HydrophobicContact CD1-CD1 4.17Å; I526-Y538 HydrophobicContact CD1-CE1 3.79Å; I526-Y538 HydrophobicContact CG2-CD2 4.09Å; I526-Y538 HydrophobicContact CG2-CE2 4.14Å; I526-Y538 HydrophobicContact CG2-CG 4.34Å; V536-Y538 PolarHBondContact O-N 2.7Å; Y538-P540 HydrophobicContact CE1-CG 3.87Å; Y538-P540 HydrophobicContact CE2-CG 4.49Å; Y538-L557 WeakPolarHBondContact CA-O 3.19Å; Y538-L557 HydrophobicContact CD2-CB 4.01Å; Y538-L557 HydrophobicContact CD2-CD2 3.78Å; Y538-L557 HydrophobicContact CD2-CG 3.89Å; Y538-L557 WeakPolarHBondContact CD2-O 3.37Å; Y538-L557 HydrophobicContact CE2-CD2 3.77Å; Y538-L557 HydrophobicContact CE2-CG 4.08Å |
| 539 | I | 93.7 | Very high | 89 | Confident | 31 Ų | 31 | 23.6 Ų | 23.6 | 16% | 0.159 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 102.2 | -178.8 | -55.7 | 179.1 | 0 | 0 | 0 | 107.3 | V537 Y541 I542 V549 L557 I558 G559 | V537-I539 HydrophobicContact CG1-CD1 4Å; V537-I539 HydrophobicContact CG1-CG1 3.99Å; I539-Y541 VanDerWaalsContact C-N 3.29Å; I539-Y541 VanDerWaalsContact CG2-O 3.32Å; I539-Y541 WeakPolarHBondContact CG2-O 3.44Å; I539-Y541 PolarHBondContact O-N 3.08Å; I539-I542 HydrophobicContact CD1-CD1 4.09Å; I539-I542 HydrophobicContact CG2-CB 4.04Å; I539-I542 HydrophobicContact CG2-CG1 4.27Å; I539-V549 HydrophobicContact CD1-CG1 3.94Å; I539-L557 PolarHBondContact N-O 2.97Å; I539-I558 HydrophobicContact CB-CG1 4.22Å; I539-I558 HydrophobicContact CB-CG2 4.48Å; I539-I558 HydrophobicContact CD1-CD1 4.32Å; I539-I558 HydrophobicContact CD1-CG1 4.26Å; I539-I558 HydrophobicContact CG1-CG1 4.36Å; I539-I558 WeakPolarHBondContact O-CA 3.47Å; I539-G559 PolarHBondContact O-N 2.91Å |
| 540 | P | 91.2 | Very high | 88.7 | Confident | 5 Ų | 5 | 23.8 Ų | 23.8 | 3% | 0.032 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53 | -43.1 | -173 | -27.2 | 32.5 | 0 | 0 | 0 | 113.6 | M319 Y538 G559 | M319-P540 HydrophobicContact CB-CG 3.7Å; M319-P540 HydrophobicContact CE-CG 4.48Å; Y538-P540 HydrophobicContact CE1-CG 3.87Å; Y538-P540 HydrophobicContact CE2-CG 4.49Å; P540-G559 WeakPolarHBondContact O-CA 3.28Å |
| 541 | Y | 90.4 | Very high | 88.1 | Confident | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.008 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 154.4 | 152.9 | 72.4 | -85.3 | 0 | 0 | 0 | 109.7 | F293 P296 F316 F318 H515 I539 G559 | F293-Y541 PolarHBondContact O-OH 3.27Å; P296-Y541 HydrophobicContact CB-CE2 4.26Å; P296-Y541 HydrophobicContact CG-CE2 4.1Å; F316-Y541 AromaticContact CD2-CE1 3.77Å; F316-Y541 HydrophobicContact CD2-CE1 3.77Å; F316-Y541 HydrophobicContact CE2-CE1 4.17Å; F316-Y541 AromaticContact CE2-CZ 3.94Å; F316-Y541 WeakPolarHBondContact CE2-OH 2.98Å; F318-Y541 HydrophobicContact CB-CE1 3.7Å; F318-Y541 WeakPolarHBondContact CB-OH 3.43Å; H515-Y541 AromaticContact CD2-CD2 3.83Å; I539-Y541 VanDerWaalsContact C-N 3.29Å; I539-Y541 VanDerWaalsContact CG2-O 3.32Å; I539-Y541 WeakPolarHBondContact CG2-O 3.44Å; I539-Y541 PolarHBondContact O-N 3.08Å; Y541-G559 CarbonylContact C-O 3.36Å; Y541-G559 VanDerWaalsContact CA-O 3.26Å; Y541-G559 WeakPolarHBondContact CA-O 3.32Å |
| 542 | I | 90.5 | Very high | 87.7 | Confident | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 147.7 | -179.8 | -154.1 | 163.7 | 0 | 0 | 0 | 111.1 | I539 C546 I547 V549 I558 G559 M560 F564 | I539-I542 HydrophobicContact CD1-CD1 4.09Å; I539-I542 HydrophobicContact CG2-CB 4.04Å; I539-I542 HydrophobicContact CG2-CG1 4.27Å; I542-C546 HydrophobicContact CD1-CB 3.84Å; I542-C546 WeakPolarHBondContact CD1-O 3.39Å; I542-C546 HydrophobicContact CG1-CB 3.7Å; I542-I547 HydrophobicContact CG2-CD1 4.14Å; I542-V549 HydrophobicContact CD1-CB 3.93Å; I542-V549 HydrophobicContact CD1-CG2 4.45Å; I542-I558 HydrophobicContact CB-CG2 4.14Å; I542-I558 HydrophobicContact CD1-CG2 4.35Å; I542-I558 HydrophobicContact CG2-CG2 4.17Å; I542-G559 WeakPolarHBondContact CG2-O 3.25Å; I542-G559 PolarHBondContact N-O 3.16Å; I542-M560 HydrophobicContact CG2-CB 3.99Å; I542-F564 HydrophobicContact CG2-CE2 4.42Å; I542-F564 WeakPolarHBondContact O-CE2 3.45Å |
| 543 | Y | 87.7 | Confident | 87.2 | Confident | 23 Ų | 23 | 32 Ų | 32 | 9% | 0.09 | 18% | 0.177 | C | C | . | . | trans | -91.5 | 158.9 | 170.4 | 81.6 | -87.5 | 0 | 0 | 0 | 111.2 | N292 F293 G545 C546 | N292-Y543 HydrophobicContact CB-CD1 4.22Å; N292-Y543 HydrophobicContact CB-CD2 3.66Å; N292-Y543 HydrophobicContact CB-CE1 4.18Å; N292-Y543 HydrophobicContact CB-CE2 3.6Å; N292-Y543 HydrophobicContact CB-CG 3.98Å; N292-Y543 VanDerWaalsContact O-CB 3.25Å; N292-Y543 WeakPolarHBondContact O-CB 3.33Å; F293-Y543 HydrophobicContact CD1-CD1 4.33Å; F293-Y543 HydrophobicContact CD2-CD1 4.08Å; F293-Y543 HydrophobicContact CD2-CE1 4.29Å; F293-Y543 HydrophobicContact CE1-CD1 4.02Å; F293-Y543 AromaticContact CE2-CD1 3.73Å; F293-Y543 HydrophobicContact CE2-CD1 3.73Å; F293-Y543 AromaticContact CE2-CE1 3.66Å; F293-Y543 HydrophobicContact CE2-CE1 3.66Å; F293-Y543 HydrophobicContact CG-CD1 4.38Å; F293-Y543 AromaticContact CZ-CD1 3.71Å; F293-Y543 HydrophobicContact CZ-CD1 3.71Å; F293-Y543 AromaticContact CZ-CE1 3.86Å; F293-Y543 HydrophobicContact CZ-CE1 3.86Å; Y543-G545 VanDerWaalsContact C-N 3.26Å; Y543-G545 VanDerWaalsContact CD2-N 3.26Å; Y543-G545 VanDerWaalsContact CE2-CA 3.45Å; Y543-G545 PolarHBondContact O-N 3.32Å; Y543-G545 VanDerWaalsContact O-N 3.13Å; Y543-C546 HydrophobicContact CD1-CB 4.32Å; Y543-C546 HydrophobicContact CE1-CB 4.02Å; Y543-C546 WeakPolarHBondContact CE1-SG 3.26Å; Y543-C546 VanDerWaalsContact CZ-SG 3.59Å; Y543-C546 PolarHBondContact O-N 3.36Å | ||
| 544 | M | 81 | Confident | 87 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -58.4 | -32.5 | -168.8 | -168.3 | 61.2 | 175.1 | 0 | 0 | 114.3 | V28 I45 F47 C546 I547 F564 F567 | V28-M544 HydrophobicContact CB-CG 4.38Å; V28-M544 HydrophobicContact CG1-CG 4.24Å; V28-M544 HydrophobicContact CG2-CG 3.9Å; I45-M544 HydrophobicContact CD1-CE 3.8Å; F47-M544 HydrophobicContact CZ-CG 4.35Å; M544-C546 VanDerWaalsContact C-N 3.28Å; M544-C546 PolarHBondContact O-N 3.02Å; M544-I547 WeakPolarHBondContact O-CB 3.34Å; M544-I547 WeakPolarHBondContact O-CG2 3.26Å; M544-I547 PolarHBondContact O-N 2.97Å; M544-F564 HydrophobicContact CB-CD1 4.36Å; M544-F564 HydrophobicContact CB-CE1 3.83Å; M544-F564 HydrophobicContact CB-CZ 3.98Å; M544-F564 HydrophobicContact CG-CD1 4.37Å; M544-F564 HydrophobicContact CG-CE1 4.32Å; M544-F564 HydrophobicContact SD-CB 3.88Å; M544-F564 HydrophobicContact SD-CD1 3.47Å; M544-F564 WeakPolarHBondContact SD-CD1 3.17Å; M544-F564 HydrophobicContact SD-CD2 4.08Å; M544-F564 HydrophobicContact SD-CE1 3.95Å; M544-F564 HydrophobicContact SD-CE2 4.49Å; M544-F564 HydrophobicContact SD-CG 3.57Å; M544-F564 VanDerWaalsContact SD-CG 3.57Å; M544-F564 HydrophobicContact SD-CZ 4.44Å; M544-F567 HydrophobicContact CE-CB 3.84Å; M544-F567 HydrophobicContact CE-CD2 3.85Å; M544-F567 HydrophobicContact CE-CG 4.2Å |
| 545 | G | 78.9 | Confident | 87.1 | Confident | 5 Ų | 5 | 31.8 Ų | 31.8 | 5% | 0.052 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -70.1 | -17.4 | 178 | 0 | 0 | 0 | 0 | 0 | 115.1 | I31 Y543 H548 | I31-G545 VanDerWaalsContact CG2-O 3.23Å; I31-G545 WeakPolarHBondContact CG2-O 3.21Å; Y543-G545 VanDerWaalsContact C-N 3.26Å; Y543-G545 VanDerWaalsContact CD2-N 3.26Å; Y543-G545 VanDerWaalsContact CE2-CA 3.45Å; Y543-G545 PolarHBondContact O-N 3.32Å; Y543-G545 VanDerWaalsContact O-N 3.13Å; G545-H548 PolarHBondContact O-ND1 3.34Å |
| 546 | C | 83.4 | Confident | 87.5 | Confident | 30 Ų | 30 | 29 Ų | 29 | 20% | 0.203 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -101.5 | 12.2 | 174.7 | -76.5 | 0 | 0 | 0 | 0 | 113.5 | I542 Y543 M544 H548 V549 | I542-C546 HydrophobicContact CD1-CB 3.84Å; I542-C546 WeakPolarHBondContact CD1-O 3.39Å; I542-C546 HydrophobicContact CG1-CB 3.7Å; Y543-C546 HydrophobicContact CD1-CB 4.32Å; Y543-C546 HydrophobicContact CE1-CB 4.02Å; Y543-C546 WeakPolarHBondContact CE1-SG 3.26Å; Y543-C546 VanDerWaalsContact CZ-SG 3.59Å; Y543-C546 PolarHBondContact O-N 3.36Å; M544-C546 VanDerWaalsContact C-N 3.28Å; M544-C546 PolarHBondContact O-N 3.02Å; C546-H548 PolarHBondContact O-N 3.02Å; C546-V549 HydrophobicContact CB-CG2 4.29Å; C546-V549 WeakPolarHBondContact O-CB 3.38Å; C546-V549 VanDerWaalsContact O-CG2 3.3Å; C546-V549 WeakPolarHBondContact O-CG2 3.45Å; C546-V549 PolarHBondContact O-N 3.07Å |
| 547 | I | 84.1 | Confident | 87.8 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -59 | -26.1 | -172.2 | -157.3 | 69.6 | 0 | 0 | 0 | 114 | L32 I38 I542 M544 V549 I550 F564 F568 | L32-I547 HydrophobicContact CD2-CG2 4.1Å; I38-I547 HydrophobicContact CD1-CG1 4.37Å; I38-I547 HydrophobicContact CD1-CG2 4.23Å; I38-I547 WeakPolarHBondContact CD1-O 3.27Å; I542-I547 HydrophobicContact CG2-CD1 4.14Å; M544-I547 WeakPolarHBondContact O-CB 3.34Å; M544-I547 WeakPolarHBondContact O-CG2 3.26Å; M544-I547 PolarHBondContact O-N 2.97Å; I547-V549 PolarHBondContact O-N 3.05Å; I547-I550 HydrophobicContact CD1-CD1 3.53Å; I547-I550 HydrophobicContact CG1-CD1 4.07Å; I547-I550 WeakPolarHBondContact O-CB 3.4Å; I547-I550 WeakPolarHBondContact O-CG1 3.18Å; I547-I550 PolarHBondContact O-N 3.06Å; I547-F564 HydrophobicContact CD1-CD2 3.83Å; I547-F564 HydrophobicContact CD1-CE2 4.42Å; I547-F568 HydrophobicContact CD1-CE1 3.63Å; I547-F568 HydrophobicContact CD1-CZ 3.83Å; I547-F568 HydrophobicContact CG1-CD1 4.15Å; I547-F568 HydrophobicContact CG1-CE1 3.55Å; I547-F568 HydrophobicContact CG1-CZ 3.83Å |
| 548 | H | 80.7 | Confident | 87.9 | Confident | 83 Ų | 83 | 25.1 Ų | 25.1 | 38% | 0.384 | 15% | 0.146 | S | C | . | . | G | 310 helix | trans | -57.3 | -26.6 | 173.6 | 64.4 | -94.9 | 0 | 0 | 0 | 113.5 | A35 G545 C546 I550 Q551 | A35-H548 HydrophobicContact CB-CB 4.09Å; G545-H548 PolarHBondContact O-ND1 3.34Å; C546-H548 PolarHBondContact O-N 3.02Å; H548-I550 PolarHBondContact O-N 3.3Å; H548-I550 VanDerWaalsContact O-N 3.1Å; H548-Q551 VanDerWaalsContact O-CB 3.31Å; H548-Q551 WeakPolarHBondContact O-CB 3.18Å; H548-Q551 PolarHBondContact O-N 3.25Å; H548-Q551 PolarHBondContact O-OE1 3.37Å |
| 549 | V | 86.9 | Confident | 88 | Confident | 40 Ų | 40 | 24.2 Ų | 24.2 | 24% | 0.242 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -61.7 | -21.2 | 179.5 | 178.7 | 0 | 0 | 0 | 0 | 112.6 | I539 I542 C546 I547 Q551 S552 I558 | I539-V549 HydrophobicContact CD1-CG1 3.94Å; I542-V549 HydrophobicContact CD1-CB 3.93Å; I542-V549 HydrophobicContact CD1-CG2 4.45Å; C546-V549 HydrophobicContact CB-CG2 4.29Å; C546-V549 WeakPolarHBondContact O-CB 3.38Å; C546-V549 VanDerWaalsContact O-CG2 3.3Å; C546-V549 WeakPolarHBondContact O-CG2 3.45Å; C546-V549 PolarHBondContact O-N 3.07Å; I547-V549 PolarHBondContact O-N 3.05Å; V549-Q551 PolarHBondContact O-N 2.86Å; V549-S552 VanDerWaalsContact O-CB 3.22Å; V549-S552 WeakPolarHBondContact O-CB 2.99Å; V549-S552 PolarHBondContact O-N 2.86Å; V549-I558 HydrophobicContact CG1-CD1 4.2Å |
| 550 | I | 87.2 | Confident | 87.9 | Confident | 4 Ų | 4 | 22.8 Ų | 22.8 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -61.7 | -22.6 | 173 | -62.9 | 176.9 | 0 | 0 | 0 | 111.8 | L509 I547 H548 S552 Y556 I558 M560 F568 L570 I576 | L509-I550 HydrophobicContact CD1-CD1 3.74Å; L509-I550 HydrophobicContact CD1-CG1 4.11Å; L509-I550 HydrophobicContact CD2-CD1 4.13Å; L509-I550 HydrophobicContact CD2-CG2 4.07Å; I547-I550 HydrophobicContact CD1-CD1 3.53Å; I547-I550 HydrophobicContact CG1-CD1 4.07Å; I547-I550 WeakPolarHBondContact O-CB 3.4Å; I547-I550 WeakPolarHBondContact O-CG1 3.18Å; I547-I550 PolarHBondContact O-N 3.06Å; H548-I550 PolarHBondContact O-N 3.3Å; H548-I550 VanDerWaalsContact O-N 3.1Å; I550-S552 PolarHBondContact O-N 3.04Å; I550-Y556 VanDerWaalsContact O-CE1 3.28Å; I550-Y556 WeakPolarHBondContact O-CE1 3.46Å; I550-Y556 PolarHBondContact O-OH 2.76Å; I550-I558 HydrophobicContact CG1-CD1 4.41Å; I550-I558 HydrophobicContact CG1-CG2 4.47Å; I550-M560 HydrophobicContact CD1-SD 4.25Å; I550-F568 HydrophobicContact CD1-CZ 4.35Å; I550-L570 HydrophobicContact CG2-CD2 4.24Å; I550-I576 HydrophobicContact CG2-CD1 3.96Å |
| 551 | Q | 81.8 | Confident | 87.7 | Confident | 52 Ų | 52 | 22.5 Ų | 22.5 | 24% | 0.243 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -78.3 | -4 | 176.1 | -59.8 | 172.6 | -54.4 | 0 | 0 | 113.4 | A35 I38 H548 V549 | A35-Q551 PolarHBondContact O-NE2 3.41Å; I38-Q551 HydrophobicContact CD1-CG 4.26Å; I38-Q551 HydrophobicContact CG1-CG 4.09Å; H548-Q551 VanDerWaalsContact O-CB 3.31Å; H548-Q551 WeakPolarHBondContact O-CB 3.18Å; H548-Q551 PolarHBondContact O-N 3.25Å; H548-Q551 PolarHBondContact O-OE1 3.37Å; V549-Q551 PolarHBondContact O-N 2.86Å |
| 552 | S | 86 | Confident | 87.4 | Confident | 27 Ų | 27 | 22.7 Ų | 22.7 | 19% | 0.189 | 13% | 0.134 | C | C | . | . | trans | -49.3 | 132 | -179.1 | -179.7 | 0 | 0 | 0 | 0 | 111.8 | K507 V549 I550 S554 | K507-S552 WeakPolarHBondContact CE-O 3.21Å; K507-S552 PolarHBondContact NZ-O 3.35Å; V549-S552 VanDerWaalsContact O-CB 3.22Å; V549-S552 WeakPolarHBondContact O-CB 2.99Å; V549-S552 PolarHBondContact O-N 2.86Å; I550-S552 PolarHBondContact O-N 3.04Å; S552-S554 VanDerWaalsContact C-N 3.26Å; S552-S554 PolarHBondContact O-N 2.9Å; S552-S554 PolarHBondContact OG-N 3.5Å | ||
| 553 | P | 84.5 | Confident | 86.8 | Confident | 115 Ų | 115 | 23.3 Ų | 23.3 | 75% | 0.747 | 14% | 0.137 | S | C | * | . | S | Bend | trans | -68 | -29.2 | 177.8 | 27.8 | -34.3 | 0 | 0 | 0 | 111.9 | K507 | K507-P553 WeakPolarHBondContact CE-O 3.39Š|
| 554 | S | 88.4 | Confident | 86.5 | Confident | 52 Ų | 52 | 22.2 Ų | 22.2 | 36% | 0.364 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -67.6 | 156.6 | -179.5 | -53.5 | 0 | 0 | 0 | 0 | 112.9 | S552 Y556 | S552-S554 VanDerWaalsContact C-N 3.26Å; S552-S554 PolarHBondContact O-N 2.9Å; S552-S554 PolarHBondContact OG-N 3.5Å; S554-Y556 WeakPolarHBondContact O-CD1 3.28Å |
| 555 | P | 91.9 | Very high | 86.4 | Confident | 36 Ų | 36 | 23.2 Ų | 23.2 | 23% | 0.234 | 14% | 0.137 | C | C | . | . | trans | -52 | 143.8 | 161.9 | -26.2 | 34.7 | 0 | 0 | 0 | 112.2 | E505 W534 V536 | E505-P555 HydrophobicContact CB-CB 3.99Å; E505-P555 HydrophobicContact CB-CG 3.91Å; E505-P555 VanDerWaalsContact O-CB 3.26Å; E505-P555 WeakPolarHBondContact O-CB 3.43Å; E505-P555 VanDerWaalsContact O-CG 3.23Å; E505-P555 WeakPolarHBondContact O-CG 3.46Å; W534-P555 HydrophobicContact CH2-CB 4.3Å; W534-P555 HydrophobicContact CZ2-CB 4.34Å; V536-P555 HydrophobicContact CB-CB 4.26Å; V536-P555 WeakPolarHBondContact CB-O 3.37Å; V536-P555 HydrophobicContact CG1-CB 4.14Å; V536-P555 WeakPolarHBondContact CG1-O 3.29Å; V536-P555 HydrophobicContact CG2-CB 4.13Å | ||
| 556 | Y | 94.2 | Very high | 86 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 154.9 | 178.3 | 62.6 | -112.9 | 0 | 0 | 0 | 112.1 | K507 I508 L509 V537 I550 S554 I558 I576 | K507-Y556 HydrophobicContact CB-CD1 4.19Å; K507-Y556 HydrophobicContact CB-CD2 4.48Å; K507-Y556 HydrophobicContact CB-CE1 3.79Å; K507-Y556 HydrophobicContact CB-CE2 4.09Å; K507-Y556 HydrophobicContact CD-CD1 4.32Å; K507-Y556 HydrophobicContact CD-CE1 3.71Å; K507-Y556 HydrophobicContact CG-CD1 3.9Å; K507-Y556 HydrophobicContact CG-CE1 3.68Å; I508-Y556 PolarHBondContact N-O 3.39Å; I508-Y556 WeakPolarHBondContact O-CD2 3.31Å; L509-Y556 HydrophobicContact CB-CE2 4.29Å; V537-Y556 CarbonylContact O-C 3.57Å; V537-Y556 WeakPolarHBondContact O-CA 3.41Å; I550-Y556 VanDerWaalsContact O-CE1 3.28Å; I550-Y556 WeakPolarHBondContact O-CE1 3.46Å; I550-Y556 PolarHBondContact O-OH 2.76Å; S554-Y556 WeakPolarHBondContact O-CD1 3.28Å; Y556-I558 HydrophobicContact CD1-CD1 4.25Å; Y556-I558 HydrophobicContact CD2-CB 4Å; Y556-I558 HydrophobicContact CD2-CD1 3.58Å; Y556-I558 HydrophobicContact CD2-CG1 3.59Å; Y556-I558 HydrophobicContact CE2-CB 4.37Å; Y556-I558 HydrophobicContact CE2-CD1 4.04Å; Y556-I558 HydrophobicContact CE2-CG1 4.29Å; Y556-I558 HydrophobicContact CG-CD1 3.71Å; Y556-I558 HydrophobicContact CG-CG1 4Å; Y556-I576 WeakPolarHBondContact OH-CD1 3.29Å; Y556-I576 WeakPolarHBondContact OH-CG1 3.21Å; Y556-I576 WeakPolarHBondContact OH-CG2 3.46Å |
| 557 | L | 95.7 | Very high | 85.4 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 103.8 | 163.9 | 175.6 | 63.2 | 0 | 0 | 0 | 107.7 | L502 I508 M510 L525 I526 W534 V537 Y538 I539 | L502-L557 HydrophobicContact CD2-CD2 4.32Å; I508-L557 HydrophobicContact CB-CD1 3.79Å; I508-L557 HydrophobicContact CD1-CD1 4.5Å; I508-L557 HydrophobicContact CG2-CD1 3.6Å; I508-L557 WeakPolarHBondContact O-CA 3.17Å; M510-L557 HydrophobicContact CE-CD1 3.98Å; M510-L557 HydrophobicContact CE-CG 4.45Å; M510-L557 HydrophobicContact CG-CD1 4.2Å; M510-L557 HydrophobicContact SD-CD1 4.03Å; L525-L557 HydrophobicContact CB-CD2 4.21Å; L525-L557 HydrophobicContact CD1-CD1 4.28Å; I526-L557 HydrophobicContact CG2-CD2 3.7Å; W534-L557 HydrophobicContact CZ2-CB 4.23Å; V537-L557 PolarHBondContact O-N 3.03Å; Y538-L557 WeakPolarHBondContact CA-O 3.19Å; Y538-L557 HydrophobicContact CD2-CB 4.01Å; Y538-L557 HydrophobicContact CD2-CD2 3.78Å; Y538-L557 HydrophobicContact CD2-CG 3.89Å; Y538-L557 WeakPolarHBondContact CD2-O 3.37Å; Y538-L557 HydrophobicContact CE2-CD2 3.77Å; Y538-L557 HydrophobicContact CE2-CG 4.08Å; I539-L557 PolarHBondContact N-O 2.97Å |
| 558 | I | 95.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 130.1 | -174.3 | -64 | 175.2 | 0 | 0 | 0 | 109.3 | I508 L509 M510 V537 I539 I542 V549 I550 Y556 | I508-I558 PolarHBondContact O-N 2.79Å; L509-I558 CarbonylContact C-O 3.57Å; L509-I558 WeakPolarHBondContact CA-O 3.34Å; L509-I558 HydrophobicContact CD1-CB 4.06Å; L509-I558 HydrophobicContact CD1-CG2 3.9Å; M510-I558 PolarHBondContact N-O 3.32Å; V537-I558 HydrophobicContact CG1-CD1 4.41Å; V537-I558 HydrophobicContact CG1-CG1 4.4Å; I539-I558 HydrophobicContact CB-CG1 4.22Å; I539-I558 HydrophobicContact CB-CG2 4.48Å; I539-I558 HydrophobicContact CD1-CD1 4.32Å; I539-I558 HydrophobicContact CD1-CG1 4.26Å; I539-I558 HydrophobicContact CG1-CG1 4.36Å; I539-I558 WeakPolarHBondContact O-CA 3.47Å; I542-I558 HydrophobicContact CB-CG2 4.14Å; I542-I558 HydrophobicContact CD1-CG2 4.35Å; I542-I558 HydrophobicContact CG2-CG2 4.17Å; V549-I558 HydrophobicContact CG1-CD1 4.2Å; I550-I558 HydrophobicContact CG1-CD1 4.41Å; I550-I558 HydrophobicContact CG1-CG2 4.47Å; Y556-I558 HydrophobicContact CD1-CD1 4.25Å; Y556-I558 HydrophobicContact CD2-CB 4Å; Y556-I558 HydrophobicContact CD2-CD1 3.58Å; Y556-I558 HydrophobicContact CD2-CG1 3.59Å; Y556-I558 HydrophobicContact CE2-CB 4.37Å; Y556-I558 HydrophobicContact CE2-CD1 4.04Å; Y556-I558 HydrophobicContact CE2-CG1 4.29Å; Y556-I558 HydrophobicContact CG-CD1 3.71Å; Y556-I558 HydrophobicContact CG-CG1 4Å |
| 559 | G | 95 | Very high | 84.5 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 155.6 | 163.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | M510 I539 P540 Y541 I542 | M510-G559 CarbonylContact O-C 3.58Å; M510-G559 VanDerWaalsContact O-CA 3.29Å; M510-G559 WeakPolarHBondContact O-CA 3.48Å; I539-G559 PolarHBondContact O-N 2.91Å; P540-G559 WeakPolarHBondContact O-CA 3.28Å; Y541-G559 CarbonylContact C-O 3.36Å; Y541-G559 VanDerWaalsContact CA-O 3.26Å; Y541-G559 WeakPolarHBondContact CA-O 3.32Å; I542-G559 WeakPolarHBondContact CG2-O 3.25Å; I542-G559 PolarHBondContact N-O 3.16Å |
| 560 | M | 90.9 | Very high | 84 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 156.1 | 174.5 | 58.2 | 171.5 | -71.1 | 0 | 0 | 112.1 | L509 M510 S511 S512 L518 I542 I550 S562 F564 F565 F568 | L509-M560 HydrophobicContact CD1-CG 3.97Å; L509-M560 HydrophobicContact CD1-SD 3.8Å; L509-M560 HydrophobicContact CD2-SD 3.78Å; L509-M560 HydrophobicContact CG-CG 4.37Å; L509-M560 HydrophobicContact CG-SD 3.9Å; M510-M560 WeakPolarHBondContact O-CG 3.46Å; M510-M560 PolarHBondContact O-N 2.95Å; S511-M560 VanDerWaalsContact CA-O 3.26Å; S511-M560 WeakPolarHBondContact CA-O 3.31Å; S512-M560 PolarHBondContact N-O 3Å; L518-M560 WeakPolarHBondContact CD1-O 3.26Å; I542-M560 HydrophobicContact CG2-CB 3.99Å; I550-M560 HydrophobicContact CD1-SD 4.25Å; M560-S562 PolarHBondContact O-N 3.17Å; M560-F564 HydrophobicContact CB-CD2 4.13Å; M560-F564 HydrophobicContact CB-CE2 4.4Å; M560-F564 HydrophobicContact CE-CB 3.8Å; M560-F564 HydrophobicContact CE-CD2 4.1Å; M560-F564 HydrophobicContact CE-CG 4.41Å; M560-F565 HydrophobicContact CE-CD1 4.05Å; M560-F565 HydrophobicContact CE-CD2 3.87Å; M560-F565 HydrophobicContact CE-CE1 3.65Å; M560-F565 HydrophobicContact CE-CE2 3.48Å; M560-F565 VanDerWaalsContact CE-CE2 3.48Å; M560-F565 HydrophobicContact CE-CG 4.15Å; M560-F565 HydrophobicContact CE-CZ 3.37Å; M560-F565 HydrophobicContact SD-CE1 3.96Å; M560-F565 HydrophobicContact SD-CE2 3.84Å; M560-F565 HydrophobicContact SD-CZ 3.36Å; M560-F565 WeakPolarHBondContact SD-CZ 3.41Å; M560-F568 HydrophobicContact CE-CE1 3.87Å; M560-F568 HydrophobicContact CE-CZ 3.69Å; M560-F568 HydrophobicContact SD-CZ 4.21Å |
| 561 | D | 87.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 125.2 | 170.5 | -166.5 | -49.1 | 0 | 0 | 0 | 109.9 | W297 S512 H515 R563 F564 | W297-D561 HydrophobicContact CZ2-CB 3.87Å; W297-D561 PolarHBondContact NE1-OD2 3.05Å; S512-D561 VanDerWaalsContact O-CA 3.3Å; S512-D561 WeakPolarHBondContact O-CA 3.22Å; H515-D561 IonicContact CE1-OD2 3.74Å; H515-D561 PolarHBondContact CE1-OD2 2.87Å; H515-D561 IonicContact NE2-OD2 3.14Å; D561-R563 PolarHBondContact O-N 3Å; D561-R563 VanDerWaalsContact OD1-CB 3.26Å; D561-R563 WeakPolarHBondContact OD1-CB 3.17Å; D561-R563 WeakPolarHBondContact OD1-CG 3.17Å; D561-R563 IonicContact OD1-CZ 3.15Å; D561-R563 PolarHBondContact OD1-N 3.3Å; D561-R563 IonicContact OD1-NE 3.79Å; D561-R563 PolarHBondContact OD1-NE 2.87Å; D561-R563 IonicContact OD1-NH2 2.7Å; D561-R563 IonicContact OD2-CZ 2.78Å; D561-R563 VanDerWaalsContact OD2-CZ 3.31Å; D561-R563 IonicContact OD2-NE 3.83Å; D561-R563 PolarHBondContact OD2-NE 2.89Å; D561-R563 IonicContact OD2-NH2 2.73Å; D561-R563 PolarHBondContact OD2-NH2 3.2Å; D561-F564 HydrophobicContact CB-CD1 4.24Å; D561-F564 HydrophobicContact CB-CD2 4.36Å; D561-F564 HydrophobicContact CB-CE1 4.01Å; D561-F564 HydrophobicContact CB-CE2 4.15Å; D561-F564 HydrophobicContact CB-CG 4.4Å; D561-F564 HydrophobicContact CB-CZ 3.95Å; D561-F564 WeakPolarHBondContact O-CG 3.2Å; D561-F564 PolarHBondContact O-N 2.87Å |
| 562 | S | 84.3 | Confident | 82.3 | Confident | 5 Ų | 5 | 33.3 Ų | 33.3 | 4% | 0.035 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -62.1 | -14 | -178.9 | 69.5 | 0 | 0 | 0 | 0 | 114.1 | R203 S512 V513 M560 | R203-S562 PolarHBondContact NH2-O 3.1Å; S512-S562 PolarHBondContact O-N 3.47Å; V513-S562 WeakPolarHBondContact CG2-OG 3.25Å; M560-S562 PolarHBondContact O-N 3.17Å |
| 563 | R | 77.9 | Confident | 81.4 | Confident | 15 Ų | 15 | 37 Ų | 37 | 6% | 0.057 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -75.6 | -18.5 | 171.7 | -62 | 176.6 | -70.3 | 152 | -9.8 | 113.4 | S205 W297 D561 F565 D566 | S205-R563 WeakPolarHBondContact OG-CD 3.45Å; S205-R563 WeakPolarHBondContact OG-CG 3.4Å; W297-R563 VanDerWaalsContact CD1-NH2 3.33Å; W297-R563 HydrophobicContact CH2-CB 3.35Å; W297-R563 HydrophobicContact CZ2-CB 3.5Å; W297-R563 VanDerWaalsContact CZ2-CB 3.5Å; W297-R563 HydrophobicContact CZ2-CG 4.49Å; W297-R563 HydrophobicContact CZ3-CB 4.42Å; D561-R563 PolarHBondContact O-N 3Å; D561-R563 VanDerWaalsContact OD1-CB 3.26Å; D561-R563 WeakPolarHBondContact OD1-CB 3.17Å; D561-R563 WeakPolarHBondContact OD1-CG 3.17Å; D561-R563 IonicContact OD1-CZ 3.15Å; D561-R563 PolarHBondContact OD1-N 3.3Å; D561-R563 IonicContact OD1-NE 3.79Å; D561-R563 PolarHBondContact OD1-NE 2.87Å; D561-R563 IonicContact OD1-NH2 2.7Å; D561-R563 IonicContact OD2-CZ 2.78Å; D561-R563 VanDerWaalsContact OD2-CZ 3.31Å; D561-R563 IonicContact OD2-NE 3.83Å; D561-R563 PolarHBondContact OD2-NE 2.89Å; D561-R563 IonicContact OD2-NH2 2.73Å; D561-R563 PolarHBondContact OD2-NH2 3.2Å; R563-F565 PolarHBondContact O-N 3.14Å; R563-F565 VanDerWaalsContact O-N 3.14Å; R563-D566 WeakPolarHBondContact O-CB 3.44Å; R563-D566 PolarHBondContact O-N 3.38Å |
| 564 | F | 79.9 | Confident | 80.7 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 0% | 0.004 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -63 | -22.5 | 176.1 | -57 | -29.2 | 0 | 0 | 0 | 112.4 | W297 I542 M544 I547 M560 D561 D566 F567 F568 | W297-F564 HydrophobicContact CD2-CE1 4.37Å; W297-F564 AromaticContact CE2-CE1 3.54Å; W297-F564 AromaticContact CH2-CD1 3.62Å; W297-F564 HydrophobicContact CH2-CD1 3.62Å; W297-F564 AromaticContact CH2-CE1 3.96Å; W297-F564 HydrophobicContact CH2-CE1 3.96Å; W297-F564 AromaticContact CZ2-CD1 3.28Å; W297-F564 HydrophobicContact CZ2-CD1 3.28Å; W297-F564 AromaticContact CZ2-CE1 3.28Å; W297-F564 HydrophobicContact CZ2-CE1 3.28Å; W297-F564 HydrophobicContact CZ2-CG 4.41Å; W297-F564 HydrophobicContact CZ2-CZ 4.41Å; W297-F564 AromaticContact NE1-CE1 3.84Å; I542-F564 HydrophobicContact CG2-CE2 4.42Å; I542-F564 WeakPolarHBondContact O-CE2 3.45Å; M544-F564 HydrophobicContact CB-CD1 4.36Å; M544-F564 HydrophobicContact CB-CE1 3.83Å; M544-F564 HydrophobicContact CB-CZ 3.98Å; M544-F564 HydrophobicContact CG-CD1 4.37Å; M544-F564 HydrophobicContact CG-CE1 4.32Å; M544-F564 HydrophobicContact SD-CB 3.88Å; M544-F564 HydrophobicContact SD-CD1 3.47Å; M544-F564 WeakPolarHBondContact SD-CD1 3.17Å; M544-F564 HydrophobicContact SD-CD2 4.08Å; M544-F564 HydrophobicContact SD-CE1 3.95Å; M544-F564 HydrophobicContact SD-CE2 4.49Å; M544-F564 HydrophobicContact SD-CG 3.57Å; M544-F564 VanDerWaalsContact SD-CG 3.57Å; M544-F564 HydrophobicContact SD-CZ 4.44Å; I547-F564 HydrophobicContact CD1-CD2 3.83Å; I547-F564 HydrophobicContact CD1-CE2 4.42Å; M560-F564 HydrophobicContact CB-CD2 4.13Å; M560-F564 HydrophobicContact CB-CE2 4.4Å; M560-F564 HydrophobicContact CE-CB 3.8Å; M560-F564 HydrophobicContact CE-CD2 4.1Å; M560-F564 HydrophobicContact CE-CG 4.41Å; D561-F564 HydrophobicContact CB-CD1 4.24Å; D561-F564 HydrophobicContact CB-CD2 4.36Å; D561-F564 HydrophobicContact CB-CE1 4.01Å; D561-F564 HydrophobicContact CB-CE2 4.15Å; D561-F564 HydrophobicContact CB-CG 4.4Å; D561-F564 HydrophobicContact CB-CZ 3.95Å; D561-F564 WeakPolarHBondContact O-CG 3.2Å; D561-F564 PolarHBondContact O-N 2.87Å; F564-D566 PolarHBondContact O-N 3.17Å; F564-F567 PolarHBondContact O-N 3.44Å; F564-F568 HydrophobicContact CB-CD1 4.18Å; F564-F568 HydrophobicContact CB-CE1 3.65Å; F564-F568 VanDerWaalsContact O-CD1 3.25Å; F564-F568 WeakPolarHBondContact O-CD1 3.17Å; F564-F568 PolarHBondContact O-N 2.88Å |
| 565 | F | 78.8 | Confident | 80.4 | Confident | 21 Ų | 21 | 30.5 Ų | 30.5 | 9% | 0.092 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -70 | 2 | 171.1 | -60.7 | -57.8 | 0 | 0 | 0 | 114.7 | P180 A181 R203 M560 R563 F567 F568 L570 Y578 | P180-F565 HydrophobicContact CB-CD1 4.37Å; P180-F565 HydrophobicContact CB-CD2 4.19Å; P180-F565 HydrophobicContact CB-CE1 4.31Å; P180-F565 HydrophobicContact CB-CE2 4.12Å; P180-F565 HydrophobicContact CB-CG 4.3Å; P180-F565 HydrophobicContact CB-CZ 4.17Å; A181-F565 HydrophobicContact CB-CD2 3.97Å; R203-F565 PolarHBondContact NH1-O 3.49Å; M560-F565 HydrophobicContact CE-CD1 4.05Å; M560-F565 HydrophobicContact CE-CD2 3.87Å; M560-F565 HydrophobicContact CE-CE1 3.65Å; M560-F565 HydrophobicContact CE-CE2 3.48Å; M560-F565 VanDerWaalsContact CE-CE2 3.48Å; M560-F565 HydrophobicContact CE-CG 4.15Å; M560-F565 HydrophobicContact CE-CZ 3.37Å; M560-F565 HydrophobicContact SD-CE1 3.96Å; M560-F565 HydrophobicContact SD-CE2 3.84Å; M560-F565 HydrophobicContact SD-CZ 3.36Å; M560-F565 WeakPolarHBondContact SD-CZ 3.41Å; R563-F565 PolarHBondContact O-N 3.14Å; R563-F565 VanDerWaalsContact O-N 3.14Å; F565-F567 VanDerWaalsContact C-N 3.27Å; F565-F568 HydrophobicContact CD1-CE1 4.38Å; F565-F568 HydrophobicContact CD1-CE2 4.1Å; F565-F568 AromaticContact CD1-CZ 3.99Å; F565-F568 HydrophobicContact CD1-CZ 3.99Å; F565-F568 AromaticContact CE1-CE2 3.86Å; F565-F568 HydrophobicContact CE1-CE2 3.86Å; F565-F568 AromaticContact CE1-CZ 3.76Å; F565-F568 HydrophobicContact CE1-CZ 3.76Å; F565-L570 HydrophobicContact CE1-CD1 4.04Å; F565-L570 HydrophobicContact CE1-CD2 4.24Å; F565-L570 HydrophobicContact CE1-CG 3.87Å; F565-L570 HydrophobicContact CZ-CD1 4.22Å; F565-Y578 AromaticContact CE2-CE2 3.59Å; F565-Y578 HydrophobicContact CE2-CE2 3.59Å; F565-Y578 AromaticContact CE2-CZ 3.85Å; F565-Y578 HydrophobicContact CZ-CD2 4.18Å; F565-Y578 AromaticContact CZ-CE2 3.58Å; F565-Y578 HydrophobicContact CZ-CE2 3.58Å |
| 566 | D | 71 | Confident | 80.2 | Confident | 51 Ų | 51 | 29.9 Ų | 29.9 | 27% | 0.273 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -74 | -22.6 | 161.2 | -69 | -69.8 | 0 | 0 | 0 | 111.5 | R203 R563 F564 | R203-D566 VanDerWaalsContact CZ-CG 3.49Å; R203-D566 IonicContact CZ-OD1 2.67Å; R203-D566 IonicContact CZ-OD2 2.82Å; R203-D566 IonicContact NH1-OD1 3.36Å; R203-D566 PolarHBondContact NH1-OD1 3.4Å; R203-D566 IonicContact NH1-OD2 3.29Å; R203-D566 PolarHBondContact NH1-OD2 3Å; R203-D566 VanDerWaalsContact NH2-CG 3.32Å; R203-D566 VanDerWaalsContact NH2-N 3.18Å; R203-D566 IonicContact NH2-OD1 3.41Å; R203-D566 IonicContact NH2-OD2 3.2Å; R203-D566 PolarHBondContact NH2-OD2 3.43Å; R563-D566 WeakPolarHBondContact O-CB 3.44Å; R563-D566 PolarHBondContact O-N 3.38Å; F564-D566 PolarHBondContact O-N 3.17Å |
| 567 | F | 71 | Confident | 80 | Confident | 25 Ų | 25 | 29.9 Ų | 29.9 | 11% | 0.11 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | -14.3 | -170 | -47.2 | -59.7 | 0 | 0 | 0 | 114.5 | P41 I45 F47 W297 M544 F564 F565 | P41-F567 WeakPolarHBondContact CD-O 3.42Å; I45-F567 HydrophobicContact CB-CD1 4.36Å; I45-F567 HydrophobicContact CD1-CB 4.03Å; I45-F567 HydrophobicContact CD1-CG 4.27Å; I45-F567 HydrophobicContact CG1-CB 4.06Å; I45-F567 HydrophobicContact CG1-CD1 4.1Å; I45-F567 HydrophobicContact CG1-CG 4.17Å; I45-F567 HydrophobicContact CG2-CD1 3.5Å; I45-F567 HydrophobicContact CG2-CD2 4.47Å; I45-F567 HydrophobicContact CG2-CE1 3.56Å; I45-F567 HydrophobicContact CG2-CG 3.99Å; I45-F567 HydrophobicContact CG2-CZ 4.09Å; F47-F567 HydrophobicContact CD1-CE2 4.07Å; F47-F567 AromaticContact CD1-CZ 3.92Å; F47-F567 HydrophobicContact CD1-CZ 3.92Å; F47-F567 HydrophobicContact CE1-CD2 4.18Å; F47-F567 AromaticContact CE1-CE2 3.59Å; F47-F567 HydrophobicContact CE1-CE2 3.59Å; F47-F567 AromaticContact CE1-CZ 3.87Å; F47-F567 HydrophobicContact CE1-CZ 3.87Å; W297-F567 AromaticContact CH2-CE2 3.87Å; W297-F567 HydrophobicContact CH2-CE2 3.87Å; W297-F567 AromaticContact CZ3-CE2 3.79Å; W297-F567 HydrophobicContact CZ3-CE2 3.79Å; W297-F567 HydrophobicContact CZ3-CZ 4.35Å; M544-F567 HydrophobicContact CE-CB 3.84Å; M544-F567 HydrophobicContact CE-CD2 3.85Å; M544-F567 HydrophobicContact CE-CG 4.2Å; F564-F567 PolarHBondContact O-N 3.44Å; F565-F567 VanDerWaalsContact C-N 3.27Å |
| 568 | F | 74 | Confident | 79.7 | Confident | 5 Ų | 5 | 30 Ų | 30 | 2% | 0.022 | 16% | 0.157 | C | C | . | . | trans | -149.6 | 166.4 | 176.7 | 81.5 | -92.1 | 0 | 0 | 0 | 114.1 | I38 I39 I547 I550 M560 F564 F565 L570 | I38-F568 HydrophobicContact CG2-CB 3.47Å; I38-F568 VanDerWaalsContact CG2-CB 3.47Å; I38-F568 HydrophobicContact CG2-CD2 3.71Å; I38-F568 HydrophobicContact CG2-CG 3.72Å; I39-F568 WeakPolarHBondContact O-CA 3.23Å; I547-F568 HydrophobicContact CD1-CE1 3.63Å; I547-F568 HydrophobicContact CD1-CZ 3.83Å; I547-F568 HydrophobicContact CG1-CD1 4.15Å; I547-F568 HydrophobicContact CG1-CE1 3.55Å; I547-F568 HydrophobicContact CG1-CZ 3.83Å; I550-F568 HydrophobicContact CD1-CZ 4.35Å; M560-F568 HydrophobicContact CE-CE1 3.87Å; M560-F568 HydrophobicContact CE-CZ 3.69Å; M560-F568 HydrophobicContact SD-CZ 4.21Å; F564-F568 HydrophobicContact CB-CD1 4.18Å; F564-F568 HydrophobicContact CB-CE1 3.65Å; F564-F568 VanDerWaalsContact O-CD1 3.25Å; F564-F568 WeakPolarHBondContact O-CD1 3.17Å; F564-F568 PolarHBondContact O-N 2.88Å; F565-F568 HydrophobicContact CD1-CE1 4.38Å; F565-F568 HydrophobicContact CD1-CE2 4.1Å; F565-F568 AromaticContact CD1-CZ 3.99Å; F565-F568 HydrophobicContact CD1-CZ 3.99Å; F565-F568 AromaticContact CE1-CE2 3.86Å; F565-F568 HydrophobicContact CE1-CE2 3.86Å; F565-F568 AromaticContact CE1-CZ 3.76Å; F565-F568 HydrophobicContact CE1-CZ 3.76Å; F568-L570 HydrophobicContact CE2-CD2 3.91Å; F568-L570 HydrophobicContact CE2-CG 4.42Å | ||
| 569 | R | 72.8 | Confident | 79.5 | Confident | 186 Ų | 186 | 30 Ų | 30 | 70% | 0.702 | 16% | 0.157 | S | C | * | . | B | Isolated β-bridge | trans | -123.9 | 144.5 | 171.1 | -59 | 179.9 | 177.7 | -174.6 | -2 | 111.2 | I39 | I39-R569 HydrophobicContact CB-CB 4.37Å; I39-R569 PolarHBondContact N-O 2.98Å; I39-R569 PolarHBondContact O-N 3.09Å |
| 570 | L | 76 | Confident | 79.2 | Confident | 33 Ų | 33 | 30.2 Ų | 30.2 | 17% | 0.173 | 16% | 0.158 | C | C | . | . | trans | -68 | 144.9 | 173.7 | -63.6 | 168.8 | 0 | 0 | 0 | 110.9 | L509 I550 F565 F568 I576 Y578 | L509-L570 HydrophobicContact CD2-CD1 4.06Å; L509-L570 HydrophobicContact CD2-CD2 3.5Å; L509-L570 HydrophobicContact CD2-CG 4.41Å; I550-L570 HydrophobicContact CG2-CD2 4.24Å; F565-L570 HydrophobicContact CE1-CD1 4.04Å; F565-L570 HydrophobicContact CE1-CD2 4.24Å; F565-L570 HydrophobicContact CE1-CG 3.87Å; F565-L570 HydrophobicContact CZ-CD1 4.22Å; F568-L570 HydrophobicContact CE2-CD2 3.91Å; F568-L570 HydrophobicContact CE2-CG 4.42Å; L570-I576 HydrophobicContact CD2-CD1 4.11Å; L570-Y578 HydrophobicContact CD1-CD2 4.19Å; L570-Y578 HydrophobicContact CD1-CG 4.29Å | ||
| 571 | P | 68.8 | Low | 79.1 | Confident | 21 Ų | 21 | 30.2 Ų | 30.2 | 14% | 0.136 | 16% | 0.159 | C | C | . | . | trans | -63 | 129.4 | 171.8 | 24.9 | -32.6 | 0 | 0 | 0 | 110.2 | E37 N573 G574 I576 | E37-P571 HydrophobicContact CB-CB 4.16Å; E37-P571 HydrophobicContact CB-CG 4.22Å; P571-N573 PolarHBondContact O-N 2.99Å; P571-N573 VanDerWaalsContact O-N 3.09Å; P571-G574 PolarHBondContact O-N 2.75Å; P571-I576 HydrophobicContact CG-CD1 4.48Å | ||
| 572 | P | 63.9 | Low | 78.9 | Confident | 107 Ų | 107 | 32.3 Ų | 32.3 | 70% | 0.695 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -20.6 | -169.3 | 24.5 | -34.5 | 0 | 0 | 0 | 114.3 | ||
| 573 | N | 67.5 | Low | 78.6 | Confident | 103 Ų | 103 | 33.2 Ų | 33.2 | 55% | 0.551 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.8 | 5.6 | -176.3 | -63.2 | -4.5 | 0 | 0 | 0 | 113.5 | P571 G575 | P571-N573 PolarHBondContact O-N 2.99Å; P571-N573 VanDerWaalsContact O-N 3.09Å; N573-G575 PolarHBondContact O-N 3.03Å |
| 574 | G | 70.3 | Confident | 78.9 | Confident | 23 Ų | 23 | 35.5 Ų | 35.5 | 24% | 0.237 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -68.5 | 8.8 | -164.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | P571 I576 | P571-G574 PolarHBondContact O-N 2.75Å; G574-I576 PolarHBondContact O-N 2.99Å |
| 575 | G | 81.9 | Confident | 79 | Confident | 9 Ų | 9 | 36.7 Ų | 36.7 | 9% | 0.093 | 20% | 0.195 | C | C | . | . | trans | 67.4 | 19.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | N573 P589 | N573-G575 PolarHBondContact O-N 3.03Å; G575-P589 WeakPolarHBondContact O-CB 3.46Å | ||
| 576 | I | 87.4 | Confident | 79.4 | Confident | 22 Ų | 22 | 37.8 Ų | 37.8 | 11% | 0.113 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 119.6 | -174.5 | -48.4 | 177 | 0 | 0 | 0 | 110.2 | L509 I550 Y556 L570 P571 G574 Y578 | L509-I576 HydrophobicContact CB-CG2 3.63Å; L509-I576 HydrophobicContact CD2-CG2 4.31Å; I550-I576 HydrophobicContact CG2-CD1 3.96Å; Y556-I576 WeakPolarHBondContact OH-CD1 3.29Å; Y556-I576 WeakPolarHBondContact OH-CG1 3.21Å; Y556-I576 WeakPolarHBondContact OH-CG2 3.46Å; L570-I576 HydrophobicContact CD2-CD1 4.11Å; P571-I576 HydrophobicContact CG-CD1 4.48Å; G574-I576 PolarHBondContact O-N 2.99Å; I576-Y578 PolarHBondContact O-N 3.31Å |
| 577 | A | 89.3 | Confident | 80 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 115.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q501 K507 I508 L509 F586 K587 | Q501-A577 HydrophobicContact CG-CB 4.44Å; K507-A577 WeakPolarHBondContact O-CB 3.29Å; K507-A577 PolarHBondContact O-N 2.76Å; I508-A577 WeakPolarHBondContact CA-O 3.48Å; I508-A577 HydrophobicContact CG1-CB 4.44Å; L509-A577 PolarHBondContact N-O 2.89Å; A577-F586 HydrophobicContact CB-CE2 4.26Å; A577-F586 HydrophobicContact CB-CZ 4.4Å; A577-K587 CarbonylContact C-O 3.57Å; A577-K587 WeakPolarHBondContact CA-O 3.46Å |
| 578 | Y | 89.7 | Confident | 80.4 | Confident | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 136.3 | -176.3 | 169.2 | -102.7 | 0 | 0 | 0 | 111.6 | P180 A181 L509 S511 F565 L570 I576 D580 F586 K587 | P180-Y578 HydrophobicContact CB-CD1 4.37Å; P180-Y578 HydrophobicContact CB-CE1 3.78Å; A181-Y578 PolarHBondContact N-OH 3.27Å; L509-Y578 HydrophobicContact CD2-CD2 4.37Å; L509-Y578 HydrophobicContact CG-CD2 4.38Å; L509-Y578 WeakPolarHBondContact O-CA 3.44Å; L509-Y578 WeakPolarHBondContact O-CD2 3.32Å; S511-Y578 WeakPolarHBondContact OG-CE2 3.46Å; S511-Y578 PolarHBondContact OG-OH 2.88Å; F565-Y578 AromaticContact CE2-CE2 3.59Å; F565-Y578 HydrophobicContact CE2-CE2 3.59Å; F565-Y578 AromaticContact CE2-CZ 3.85Å; F565-Y578 HydrophobicContact CZ-CD2 4.18Å; F565-Y578 AromaticContact CZ-CE2 3.58Å; F565-Y578 HydrophobicContact CZ-CE2 3.58Å; L570-Y578 HydrophobicContact CD1-CD2 4.19Å; L570-Y578 HydrophobicContact CD1-CG 4.29Å; I576-Y578 PolarHBondContact O-N 3.31Å; Y578-D580 HydrophobicContact CE1-CB 4.28Å; Y578-F586 CarbonylContact O-C 3.49Å; Y578-F586 WeakPolarHBondContact O-CA 3.37Å; Y578-F586 WeakPolarHBondContact O-CD2 3.48Å; Y578-K587 HydrophobicContact CD1-CG 4.4Å; Y578-K587 PolarHBondContact N-O 2.58Å; Y578-K587 PolarHBondContact O-N 2.91Å |
| 579 | L | 91.4 | Very high | 80.5 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 123.3 | -178.6 | 170.8 | 60.4 | 0 | 0 | 0 | 111.4 | L490 L494 L498 L509 M510 S511 L581 F586 | L490-L579 HydrophobicContact CD1-CD2 4.42Å; L490-L579 HydrophobicContact CD2-CD1 4.48Å; L494-L579 HydrophobicContact CD1-CD1 4.26Å; L494-L579 HydrophobicContact CD2-CD1 3.75Å; L494-L579 HydrophobicContact CG-CD1 4.37Å; L498-L579 HydrophobicContact CD1-CD2 3.6Å; L498-L579 HydrophobicContact CD2-CD2 3.96Å; L498-L579 HydrophobicContact CG-CD2 4.41Å; L509-L579 PolarHBondContact O-N 3.18Å; M510-L579 CarbonylContact C-O 3.56Å; M510-L579 VanDerWaalsContact CA-O 3.3Å; M510-L579 WeakPolarHBondContact CA-O 3.46Å; M510-L579 HydrophobicContact CG-CD2 4.12Å; M510-L579 HydrophobicContact SD-CD2 4.37Å; S511-L579 PolarHBondContact N-O 3Å; L579-L581 HydrophobicContact CD1-CD2 4.38Å; L579-L581 HydrophobicContact CD2-CD2 3.43Å; L579-L581 VanDerWaalsContact CD2-CD2 3.43Å; L579-L581 HydrophobicContact CG-CD2 3.71Å; L579-L581 HydrophobicContact CG-CG 4.45Å; L579-F586 HydrophobicContact CB-CD2 4.32Å; L579-F586 HydrophobicContact CD1-CB 4.49Å |
| 580 | D | 88.4 | Confident | 80.2 | Confident | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 112.1 | 165.9 | -175.2 | -10.1 | 0 | 0 | 0 | 110.8 | A181 Y578 D582 T583 N584 N585 | A181-D580 WeakPolarHBondContact CA-OD2 3.36Å; Y578-D580 HydrophobicContact CE1-CB 4.28Å; D580-D582 VanDerWaalsContact C-N 3.31Å; D580-D582 PolarHBondContact O-N 3.28Å; D580-D582 PolarHBondContact OD1-N 3.01Å; D580-T583 WeakPolarHBondContact CB-OG1 3.41Å; D580-T583 PolarHBondContact OD1-N 2.71Å; D580-T583 WeakPolarHBondContact OD2-CB 3.47Å; D580-T583 WeakPolarHBondContact OD2-CG2 3.46Å; D580-T583 PolarHBondContact OD2-OG1 2.89Å; D580-N584 WeakPolarHBondContact O-CA 3.42Å; D580-N584 PolarHBondContact O-N 2.94Å; D580-N585 HydrophobicContact CB-CB 4.16Å; D580-N585 PolarHBondContact N-O 3.32Å |
| 581 | L | 89.9 | Confident | 79.8 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -18.5 | -178.6 | -56.6 | 177.1 | 0 | 0 | 0 | 113.2 | L490 M510 S511 V517 L518 I521 L579 | L490-L581 HydrophobicContact CD1-CD2 4.47Å; L490-L581 HydrophobicContact CD2-CD2 3.9Å; M510-L581 HydrophobicContact CB-CD1 4.28Å; M510-L581 HydrophobicContact CB-CG 4.41Å; M510-L581 HydrophobicContact SD-CD2 4.48Å; S511-L581 PolarHBondContact O-N 3.42Å; V517-L581 HydrophobicContact CG1-CD1 4.45Å; L518-L581 HydrophobicContact CD2-CD1 3.54Å; L518-L581 HydrophobicContact CG-CD1 3.97Å; I521-L581 HydrophobicContact CD1-CD1 4.24Å; I521-L581 HydrophobicContact CD1-CD2 3.92Å; I521-L581 HydrophobicContact CG2-CD2 4.11Å; L579-L581 HydrophobicContact CD1-CD2 4.38Å; L579-L581 HydrophobicContact CD2-CD2 3.43Å; L579-L581 VanDerWaalsContact CD2-CD2 3.43Å; L579-L581 HydrophobicContact CG-CD2 3.71Å; L579-L581 HydrophobicContact CG-CG 4.45Å |
| 582 | D | 82.7 | Confident | 79.3 | Confident | 43 Ų | 43 | 38 Ų | 38 | 23% | 0.23 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -17.7 | 178.9 | -70 | -41.2 | 0 | 0 | 0 | 112.6 | S512 V513 R514 D580 | S512-D582 WeakPolarHBondContact CA-OD2 3.34Å; S512-D582 WeakPolarHBondContact CB-OD2 3.35Å; S512-D582 PolarHBondContact OG-OD1 2.69Å; S512-D582 PolarHBondContact OG-OD2 3.17Å; V513-D582 PolarHBondContact N-OD2 3.4Å; R514-D582 IonicContact CZ-OD1 3.28Å; R514-D582 IonicContact NE-OD1 3.6Å; R514-D582 PolarHBondContact NE-OD1 2.63Å; R514-D582 IonicContact NH2-OD1 3.45Å; R514-D582 PolarHBondContact NH2-OD1 2.83Å; D580-D582 VanDerWaalsContact C-N 3.31Å; D580-D582 PolarHBondContact O-N 3.28Å; D580-D582 PolarHBondContact OD1-N 3.01Å |
| 583 | T | 78.5 | Confident | 79.4 | Confident | 24 Ų | 24 | 37 Ų | 37 | 15% | 0.147 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | -7.9 | -177.1 | 73.7 | 0 | 0 | 0 | 0 | 114.7 | R183 D580 N585 | R183-T583 HydrophobicContact CB-CG2 3.56Å; R183-T583 HydrophobicContact CG-CG2 4.14Å; D580-T583 WeakPolarHBondContact CB-OG1 3.41Å; D580-T583 PolarHBondContact OD1-N 2.71Å; D580-T583 WeakPolarHBondContact OD2-CB 3.47Å; D580-T583 WeakPolarHBondContact OD2-CG2 3.46Å; D580-T583 PolarHBondContact OD2-OG1 2.89Å; T583-N585 PolarHBondContact O-N 2.81Å; T583-N585 VanDerWaalsContact OG1-CB 3.24Å; T583-N585 WeakPolarHBondContact OG1-CB 3.41Å; T583-N585 PolarHBondContact OG1-N 2.93Å |
| 584 | N | 83 | Confident | 79.4 | Confident | 63 Ų | 63 | 36.1 Ų | 36.1 | 34% | 0.337 | 23% | 0.226 | S | C | . | . | trans | 59.5 | 18.3 | -171.5 | -81.3 | -90.2 | 0 | 0 | 0 | 114.2 | N489 L490 S491 L494 D580 F586 | N489-N584 PolarHBondContact O-ND2 2.83Å; L490-N584 VanDerWaalsContact CA-OD1 3.27Å; L490-N584 WeakPolarHBondContact CA-OD1 3.49Å; S491-N584 PolarHBondContact N-OD1 2.58Å; L494-N584 HydrophobicContact CD2-CB 4.31Å; L494-N584 WeakPolarHBondContact CD2-OD1 3.46Å; D580-N584 WeakPolarHBondContact O-CA 3.42Å; D580-N584 PolarHBondContact O-N 2.94Å; N584-F586 PolarHBondContact O-N 3.48Å | ||
| 585 | N | 82.8 | Confident | 79.1 | Confident | 26 Ų | 26 | 39 Ų | 39 | 14% | 0.139 | 24% | 0.241 | C | C | . | . | trans | -77.5 | 116.5 | 176.2 | -175.9 | 1.9 | 0 | 0 | 0 | 109.6 | C178 P179 Y182 D580 T583 | C178-N585 PolarHBondContact SG-ND2 3.42Å; C178-N585 VanDerWaalsContact SG-ND2 3.43Å; P179-N585 PolarHBondContact O-ND2 2.86Å; Y182-N585 PolarHBondContact O-ND2 3.45Å; D580-N585 HydrophobicContact CB-CB 4.16Å; D580-N585 PolarHBondContact N-O 3.32Å; T583-N585 PolarHBondContact O-N 2.81Å; T583-N585 VanDerWaalsContact OG1-CB 3.24Å; T583-N585 WeakPolarHBondContact OG1-CB 3.41Å; T583-N585 PolarHBondContact OG1-N 2.93Å | ||
| 586 | F | 86.6 | Confident | 78.6 | Confident | 44 Ų | 44 | 42.3 Ų | 42.3 | 19% | 0.193 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 134.9 | -179.9 | 173.5 | -98.2 | 0 | 0 | 0 | 110.9 | L494 Q497 L498 Q501 A577 Y578 L579 N584 P588 | L494-F586 HydrophobicContact CD1-CB 3.49Å; L494-F586 VanDerWaalsContact CD1-CB 3.49Å; L494-F586 HydrophobicContact CD1-CD1 4.27Å; L494-F586 HydrophobicContact CD1-CD2 3.84Å; L494-F586 HydrophobicContact CD1-CG 3.59Å; Q497-F586 HydrophobicContact CG-CD1 4.21Å; Q497-F586 HydrophobicContact CG-CE1 3.6Å; Q497-F586 HydrophobicContact CG-CZ 3.96Å; L498-F586 HydrophobicContact CD2-CD2 4.32Å; L498-F586 HydrophobicContact CD2-CE2 4Å; Q501-F586 HydrophobicContact CG-CE2 4.49Å; Q501-F586 HydrophobicContact CG-CZ 4.07Å; A577-F586 HydrophobicContact CB-CE2 4.26Å; A577-F586 HydrophobicContact CB-CZ 4.4Å; Y578-F586 CarbonylContact O-C 3.49Å; Y578-F586 WeakPolarHBondContact O-CA 3.37Å; Y578-F586 WeakPolarHBondContact O-CD2 3.48Å; L579-F586 HydrophobicContact CB-CD2 4.32Å; L579-F586 HydrophobicContact CD1-CB 4.49Å; N584-F586 PolarHBondContact O-N 3.48Å; F586-P588 HydrophobicContact CE1-CB 4.17Å |
| 587 | K | 83.7 | Confident | 78.2 | Confident | 38 Ų | 38 | 42.2 Ų | 42.2 | 17% | 0.165 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 124.4 | 171.6 | -58.1 | -165.1 | -178.9 | -159.8 | 0 | 109.5 | S177 C178 A577 Y578 | S177-K587 PolarHBondContact OG-NZ 2.89Å; C178-K587 WeakPolarHBondContact O-CE 3.47Å; C178-K587 PolarHBondContact O-NZ 3.23Å; A577-K587 CarbonylContact C-O 3.57Å; A577-K587 WeakPolarHBondContact CA-O 3.46Å; Y578-K587 HydrophobicContact CD1-CG 4.4Å; Y578-K587 PolarHBondContact N-O 2.58Å; Y578-K587 PolarHBondContact O-N 2.91Å |
| 588 | P | 80.2 | Confident | 78 | Confident | 42 Ų | 42 | 44.8 Ų | 44.8 | 27% | 0.273 | 27% | 0.271 | S | S | . | . | trans | -65.9 | 161.3 | 171.8 | 29.8 | -34.8 | 0 | 0 | 0 | 111 | F586 L590 V596 | F586-P588 HydrophobicContact CE1-CB 4.17Å; P588-L590 WeakPolarHBondContact O-CG 3.48Å; P588-L590 PolarHBondContact O-N 3.45Å; P588-V596 HydrophobicContact CB-CG1 3.69Å; P588-V596 HydrophobicContact CG-CG1 4.26Å | ||
| 589 | P | 75.9 | Confident | 77.8 | Confident | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.032 | 28% | 0.279 | C | S | . | . | trans | -65.2 | 125.7 | 174.1 | 29 | -32.7 | 0 | 0 | 0 | 109.4 | Q501 G575 | Q501-P589 VanDerWaalsContact OE1-CD 3.24Å; G575-P589 WeakPolarHBondContact O-CB 3.46Å | ||
| 590 | L | 67 | Low | 77.6 | Confident | 108 Ų | 108 | 52.9 Ų | 52.9 | 57% | 0.565 | 31% | 0.31 | S | S | * | . | trans | -112.3 | 31.8 | -170 | -80.9 | 156.5 | 0 | 0 | 0 | 112.9 | P588 | P588-L590 WeakPolarHBondContact O-CG 3.48Å; P588-L590 PolarHBondContact O-N 3.45Å | ||
| 591 | A | 67.1 | Low | 77.7 | Confident | 23 Ų | 23 | 53.9 Ų | 53.9 | 19% | 0.19 | 32% | 0.316 | C | S | . | . | trans | -67.8 | 132.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | G593 Q594 | A591-G593 PolarHBondContact O-N 3.09Å; A591-G593 VanDerWaalsContact O-N 3.11Å; A591-Q594 HydrophobicContact CB-CB 4.33Å; A591-Q594 HydrophobicContact CB-CG 4.06Å; A591-Q594 VanDerWaalsContact CB-OE1 3.29Å; A591-Q594 PolarHBondContact O-N 2.78Å | ||
| 592 | P | 59.2 | Low | 77.9 | Confident | 110 Ų | 110 | 53.8 Ų | 53.8 | 71% | 0.714 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 117.1 | 178.3 | -26.5 | 35.1 | 0 | 0 | 0 | 112.5 | ||
| 593 | G | 64.5 | Low | 78.5 | Confident | 85 Ų | 85 | 52.5 Ų | 52.5 | 88% | 0.876 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.6 | -6.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | A591 | A591-G593 PolarHBondContact O-N 3.09Å; A591-G593 VanDerWaalsContact O-N 3.11Å |
| 594 | Q | 67.6 | Low | 79.2 | Confident | 85 Ų | 85 | 57.6 Ų | 57.6 | 40% | 0.397 | 33% | 0.329 | S | S | . | . | trans | -73.2 | 140.4 | 169.6 | -83.3 | -166.8 | -57.5 | 0 | 0 | 111.5 | A591 V596 | A591-Q594 HydrophobicContact CB-CB 4.33Å; A591-Q594 HydrophobicContact CB-CG 4.06Å; A591-Q594 VanDerWaalsContact CB-OE1 3.29Å; A591-Q594 PolarHBondContact O-N 2.78Å; Q594-V596 PolarHBondContact O-N 3.22Å | ||
| 595 | P | 65.4 | Low | 79.7 | Confident | 85 Ų | 85 | 60 Ų | 60 | 55% | 0.552 | 34% | 0.337 | S | S | * | . | trans | -72.5 | 115 | 171.3 | 29.4 | -32.8 | 0 | 0 | 0 | 110.6 | F597 | P595-F597 HydrophobicContact CB-CE1 4.49Å; P595-F597 HydrophobicContact CB-CE2 4.35Å; P595-F597 HydrophobicContact CB-CZ 4.11Å; P595-F597 HydrophobicContact CG-CE2 3.83Å; P595-F597 HydrophobicContact CG-CZ 3.73Å; P595-F597 WeakPolarHBondContact O-CD2 3.42Å; P595-F597 PolarHBondContact O-N 3.39Å; P595-F597 VanDerWaalsContact O-N 3.14Å | ||
| 596 | V | 70.1 | Confident | 80.2 | Confident | 77 Ų | 77 | 59.4 Ų | 59.4 | 47% | 0.467 | 34% | 0.335 | S | S | . | . | trans | -76.4 | 101 | 173.2 | -179.5 | 0 | 0 | 0 | 0 | 109.4 | P588 Q594 D598 | P588-V596 HydrophobicContact CB-CG1 3.69Å; P588-V596 HydrophobicContact CG-CG1 4.26Å; Q594-V596 PolarHBondContact O-N 3.22Å; V596-D598 PolarHBondContact O-N 2.83Å | ||
| 597 | F | 80.3 | Confident | 80.7 | Confident | 21 Ų | 21 | 58.7 Ų | 58.7 | 9% | 0.092 | 33% | 0.332 | C | S | . | . | trans | -73.1 | 120 | 174.9 | -60.5 | -75.3 | 0 | 0 | 0 | 111 | Q497 V500 Q501 T504 P595 V601 P717 A721 | Q497-F597 PolarHBondContact NE2-O 2.61Å; V500-F597 HydrophobicContact CG1-CB 3.48Å; V500-F597 VanDerWaalsContact CG1-CB 3.48Å; Q501-F597 PolarHBondContact NE2-O 3.49Å; T504-F597 HydrophobicContact CG2-CD2 4.06Å; T504-F597 HydrophobicContact CG2-CE2 4.26Å; T504-F597 HydrophobicContact CG2-CG 4.49Å; P595-F597 HydrophobicContact CB-CE1 4.49Å; P595-F597 HydrophobicContact CB-CE2 4.35Å; P595-F597 HydrophobicContact CB-CZ 4.11Å; P595-F597 HydrophobicContact CG-CE2 3.83Å; P595-F597 HydrophobicContact CG-CZ 3.73Å; P595-F597 WeakPolarHBondContact O-CD2 3.42Å; P595-F597 PolarHBondContact O-N 3.39Å; P595-F597 VanDerWaalsContact O-N 3.14Å; F597-V601 HydrophobicContact CB-CG2 4.43Å; F597-V601 HydrophobicContact CD1-CG1 4.34Å; F597-V601 HydrophobicContact CD1-CG2 4.34Å; F597-P717 HydrophobicContact CE1-CB 4.36Å; F597-A721 HydrophobicContact CE1-CB 4.33Å; F597-A721 HydrophobicContact CE2-CB 3.86Å; F597-A721 HydrophobicContact CZ-CB 3.53Å | ||
| 598 | D | 83.6 | Confident | 81.3 | Confident | 53 Ų | 53 | 64.2 Ų | 64.2 | 28% | 0.283 | 36% | 0.357 | S | S | . | . | trans | -99.5 | 173.2 | 170.1 | 84.8 | -5.3 | 0 | 0 | 0 | 111.7 | V596 K600 V601 | V596-D598 PolarHBondContact O-N 2.83Å; D598-K600 PolarHBondContact O-N 3.32Å; D598-K600 WeakPolarHBondContact OD1-CA 3.36Å; D598-K600 VanDerWaalsContact OD1-CB 3.22Å; D598-K600 WeakPolarHBondContact OD1-CB 3.27Å; D598-K600 WeakPolarHBondContact OD1-CG 3.39Å; D598-K600 PolarHBondContact OD1-N 3.24Å; D598-K600 IonicContact OD2-NZ 3.91Å; D598-K600 PolarHBondContact OD2-NZ 3.08Å; D598-V601 VanDerWaalsContact O-CG2 3.29Å; D598-V601 WeakPolarHBondContact O-CG2 3.3Å; D598-V601 PolarHBondContact O-N 3.14Å | ||
| 599 | S | 85.8 | Confident | 82.1 | Confident | 27 Ų | 27 | 66.8 Ų | 66.8 | 19% | 0.189 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -62.6 | -10.6 | -179.8 | 59.8 | 0 | 0 | 0 | 0 | 115.7 | L607 | S599-L607 VanDerWaalsContact O-CD2 3.23Å; S599-L607 WeakPolarHBondContact O-CD2 3.44Å |
| 600 | K | 87.9 | Confident | 83.1 | Confident | 147 Ų | 147 | 66.9 Ų | 66.9 | 64% | 0.639 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -82.3 | -13.3 | -177.8 | -49.2 | -173 | -163.2 | 83.5 | 0 | 113.5 | D598 L602 | D598-K600 PolarHBondContact O-N 3.32Å; D598-K600 WeakPolarHBondContact OD1-CA 3.36Å; D598-K600 VanDerWaalsContact OD1-CB 3.22Å; D598-K600 WeakPolarHBondContact OD1-CB 3.27Å; D598-K600 WeakPolarHBondContact OD1-CG 3.39Å; D598-K600 PolarHBondContact OD1-N 3.24Å; D598-K600 IonicContact OD2-NZ 3.91Å; D598-K600 PolarHBondContact OD2-NZ 3.08Å; K600-L602 PolarHBondContact O-N 3.4Å |
| 601 | V | 90.2 | Very high | 84.6 | Confident | 24 Ų | 24 | 64.9 Ų | 64.9 | 15% | 0.145 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -74.6 | -7.3 | 177.3 | -50.6 | 0 | 0 | 0 | 0 | 113.4 | F597 D598 T715 F718 | F597-V601 HydrophobicContact CB-CG2 4.43Å; F597-V601 HydrophobicContact CD1-CG1 4.34Å; F597-V601 HydrophobicContact CD1-CG2 4.34Å; D598-V601 VanDerWaalsContact O-CG2 3.29Å; D598-V601 WeakPolarHBondContact O-CG2 3.3Å; D598-V601 PolarHBondContact O-N 3.14Å; V601-T715 WeakPolarHBondContact O-CA 3.3Å; V601-T715 WeakPolarHBondContact O-CB 3.41Å; V601-T715 WeakPolarHBondContact O-CG2 3.33Å; V601-F718 HydrophobicContact CB-CB 3.96Å; V601-F718 HydrophobicContact CG2-CB 3.6Å; V601-F718 HydrophobicContact CG2-CD2 4.02Å; V601-F718 HydrophobicContact CG2-CG 4.01Å |
| 602 | L | 94.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -85.7 | 162.5 | -178.6 | -64.5 | 174.7 | 0 | 0 | 0 | 112.7 | I496 V500 K600 K604 L607 F677 H714 F718 | I496-L602 HydrophobicContact CG2-CD1 4.28Å; V500-L602 HydrophobicContact CG2-CD1 3.66Å; V500-L602 HydrophobicContact CG2-CD2 4.23Å; V500-L602 HydrophobicContact CG2-CG 3.97Å; K600-L602 PolarHBondContact O-N 3.4Å; L602-K604 PolarHBondContact O-N 3.41Å; L602-L607 HydrophobicContact CB-CD2 4.41Å; L602-L607 HydrophobicContact CD1-CD1 4.17Å; L602-F677 HydrophobicContact CB-CZ 4.39Å; L602-F677 HydrophobicContact CD1-CZ 3.96Å; L602-F677 HydrophobicContact CD2-CZ 4.24Å; L602-F677 HydrophobicContact CG-CZ 4.44Å; L602-H714 PolarHBondContact O-NE2 2.8Å; L602-F718 HydrophobicContact CD2-CD1 4.28Å; L602-F718 HydrophobicContact CD2-CD2 4.09Å; L602-F718 HydrophobicContact CD2-CE1 4.02Å; L602-F718 HydrophobicContact CD2-CE2 3.8Å; L602-F718 HydrophobicContact CD2-CG 4.32Å; L602-F718 HydrophobicContact CD2-CZ 3.77Å |
| 603 | P | 93.8 | Very high | 87.9 | Confident | 15 Ų | 15 | 66.4 Ų | 66.4 | 10% | 0.097 | 35% | 0.346 | C | S | . | . | trans | -60.1 | 122.9 | 173.6 | -25.6 | 35.8 | 0 | 0 | 0 | 112.7 | K605 P606 L607 L681 T715 | P603-K605 PolarHBondContact O-N 2.58Å; P603-P606 HydrophobicContact CB-CG 4.09Å; P603-P606 WeakPolarHBondContact O-CD 3.25Å; P603-L607 WeakPolarHBondContact O-CB 3.42Å; P603-L607 PolarHBondContact O-N 3.24Å; P603-L681 HydrophobicContact CG-CD1 3.86Å; P603-T715 HydrophobicContact CG-CG2 4.2Å | ||
| 604 | K | 93.9 | Very high | 89.5 | Confident | 131 Ų | 131 | 62.3 Ų | 62.3 | 57% | 0.57 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -66.5 | -38.6 | -166 | -69.2 | 166 | -178.3 | 153.4 | 0 | 114.4 | L602 K608 H714 | L602-K604 PolarHBondContact O-N 3.41Å; K604-K608 WeakPolarHBondContact O-CB 3.42Å; K604-K608 PolarHBondContact O-N 3.32Å; K604-K608 VanDerWaalsContact O-N 3.08Å; K604-H714 VanDerWaalsContact CE-CE1 3.47Å; K604-H714 WeakPolarHBondContact CE-CE1 3.26Å; K604-H714 PolarHBondContact NZ-ND1 2.92Å |
| 605 | K | 93 | Very high | 91 | Very high | 114 Ų | 114 | 62.5 Ų | 62.5 | 50% | 0.496 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.5 | -56.5 | 179.2 | 165.5 | -170.9 | 174.5 | -171.2 | 0 | 111.1 | P603 L607 K608 Q609 E759 | P603-K605 PolarHBondContact O-N 2.58Å; K605-L607 PolarHBondContact O-N 3.28Å; K605-K608 PolarHBondContact O-N 3.24Å; K605-Q609 WeakPolarHBondContact O-CG 3.4Å; K605-Q609 PolarHBondContact O-N 3.1Å; K605-Q609 VanDerWaalsContact O-N 3.14Å; K605-Q609 PolarHBondContact O-OE1 3.44Å; K605-E759 IonicContact NZ-OE1 2.76Å; K605-E759 PolarHBondContact NZ-OE1 3.04Å |
| 606 | P | 95 | Very high | 92.5 | Very high | 14 Ų | 14 | 62.1 Ų | 62.1 | 9% | 0.091 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.6 | -42.7 | 174.4 | -27.3 | 35.9 | 0 | 0 | 0 | 113.6 | P603 K608 Q609 L610 F677 H680 | P603-P606 HydrophobicContact CB-CG 4.09Å; P603-P606 WeakPolarHBondContact O-CD 3.25Å; P606-K608 VanDerWaalsContact C-N 3.34Å; P606-K608 PolarHBondContact O-N 2.79Å; P606-Q609 PolarHBondContact O-N 3.32Å; P606-L610 WeakPolarHBondContact O-CB 3.36Å; P606-L610 PolarHBondContact O-N 3.13Å; P606-F677 HydrophobicContact CB-CD2 3.71Å; P606-F677 HydrophobicContact CB-CE2 3.86Å; P606-H680 HydrophobicContact CB-CB 3.89Å; P606-H680 HydrophobicContact CG-CB 3.56Å |
| 607 | L | 96.4 | Very high | 93.8 | Very high | 28 Ų | 28 | 58.6 Ų | 58.6 | 15% | 0.147 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.9 | -43.6 | 178.2 | 176.2 | 64.5 | 0 | 0 | 0 | 112.2 | I496 S599 L602 P603 K605 K611 F677 | I496-L607 HydrophobicContact CD1-CD1 4.19Å; I496-L607 HydrophobicContact CG2-CD1 3.66Å; S599-L607 VanDerWaalsContact O-CD2 3.23Å; S599-L607 WeakPolarHBondContact O-CD2 3.44Å; L602-L607 HydrophobicContact CB-CD2 4.41Å; L602-L607 HydrophobicContact CD1-CD1 4.17Å; P603-L607 WeakPolarHBondContact O-CB 3.42Å; P603-L607 PolarHBondContact O-N 3.24Å; K605-L607 PolarHBondContact O-N 3.28Å; L607-K611 WeakPolarHBondContact O-CB 3.19Å; L607-K611 PolarHBondContact O-N 2.84Å; L607-F677 HydrophobicContact CB-CE2 4.45Å |
| 608 | K | 96.7 | Very high | 94.5 | Very high | 155 Ų | 155 | 60.7 Ų | 60.7 | 67% | 0.674 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -64.5 | -43.3 | 177.1 | -173.2 | 179.2 | 178.9 | -176.6 | 0 | 111.4 | K604 K605 P606 K611 T612 | K604-K608 WeakPolarHBondContact O-CB 3.42Å; K604-K608 PolarHBondContact O-N 3.32Å; K604-K608 VanDerWaalsContact O-N 3.08Å; K605-K608 PolarHBondContact O-N 3.24Å; P606-K608 VanDerWaalsContact C-N 3.34Å; P606-K608 PolarHBondContact O-N 2.79Å; K608-K611 PolarHBondContact O-N 3.35Å; K608-T612 PolarHBondContact O-N 2.99Å; K608-T612 PolarHBondContact O-OG1 3.48Å; K608-T612 VanDerWaalsContact O-OG1 3.13Å |
| 609 | Q | 96.4 | Very high | 95 | Very high | 96 Ų | 96 | 63.5 Ų | 63.5 | 45% | 0.449 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.8 | -48.3 | 177.6 | -69.7 | 168 | -58.2 | 0 | 0 | 111.4 | K605 P606 T612 R613 | K605-Q609 WeakPolarHBondContact O-CG 3.4Å; K605-Q609 PolarHBondContact O-N 3.1Å; K605-Q609 VanDerWaalsContact O-N 3.14Å; K605-Q609 PolarHBondContact O-OE1 3.44Å; P606-Q609 PolarHBondContact O-N 3.32Å; Q609-T612 PolarHBondContact O-N 2.95Å; Q609-R613 WeakPolarHBondContact O-CB 3.47Å; Q609-R613 PolarHBondContact O-N 3.47Å |
| 610 | L | 97.8 | Very high | 95.4 | Very high | 6 Ų | 6 | 66.7 Ų | 66.7 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.5 | -50.1 | 175.8 | 178 | 64.2 | 0 | 0 | 0 | 111.4 | I496 L499 P606 T612 R613 L614 A673 F674 F677 | I496-L610 HydrophobicContact CG1-CD2 4.39Å; L499-L610 HydrophobicContact CD2-CD2 4.27Å; P606-L610 WeakPolarHBondContact O-CB 3.36Å; P606-L610 PolarHBondContact O-N 3.13Å; L610-T612 PolarHBondContact O-N 3.03Å; L610-R613 PolarHBondContact O-N 3.07Å; L610-L614 HydrophobicContact CD1-CD1 3.8Å; L610-L614 HydrophobicContact CD1-CG 4Å; L610-L614 HydrophobicContact CG-CD1 3.86Å; L610-L614 HydrophobicContact CG-CG 4.4Å; L610-L614 WeakPolarHBondContact O-CG 3.46Å; L610-L614 PolarHBondContact O-N 3.47Å; L610-A673 HydrophobicContact CD1-CB 4.06Å; L610-F674 HydrophobicContact CD1-CD1 3.89Å; L610-F674 HydrophobicContact CD1-CE1 3.9Å; L610-F674 HydrophobicContact CD1-CG 4.38Å; L610-F674 HydrophobicContact CD1-CZ 4.39Å; L610-F674 HydrophobicContact CD2-CD1 4.08Å; L610-F674 HydrophobicContact CD2-CE1 3.88Å; L610-F674 HydrophobicContact CG-CE1 4.38Å; L610-F677 HydrophobicContact CB-CB 4.46Å; L610-F677 HydrophobicContact CB-CD2 4.12Å; L610-F677 HydrophobicContact CD1-CB 4.41Å; L610-F677 HydrophobicContact CD2-CB 4.03Å; L610-F677 HydrophobicContact CD2-CD1 4.36Å; L610-F677 HydrophobicContact CD2-CD2 3.8Å; L610-F677 HydrophobicContact CD2-CE2 4.4Å; L610-F677 HydrophobicContact CD2-CG 3.79Å |
| 611 | K | 97.8 | Very high | 95.7 | Very high | 67 Ų | 67 | 59.9 Ų | 59.9 | 29% | 0.291 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.3 | -44.7 | -179 | -177.1 | 165.5 | -176.3 | 170.4 | 0 | 112.2 | V492 D493 I496 L607 K608 L614 L615 | V492-K611 HydrophobicContact CG1-CG 4Å; D493-K611 IonicContact OD1-NZ 3.82Å; D493-K611 PolarHBondContact OD1-NZ 3.2Å; D493-K611 WeakPolarHBondContact OD2-CE 3.33Å; D493-K611 IonicContact OD2-NZ 3.9Å; D493-K611 PolarHBondContact OD2-NZ 3.09Å; I496-K611 HydrophobicContact CD1-CB 3.96Å; I496-K611 HydrophobicContact CD1-CD 4.46Å; I496-K611 HydrophobicContact CD1-CG 4.28Å; L607-K611 WeakPolarHBondContact O-CB 3.19Å; L607-K611 PolarHBondContact O-N 2.84Å; K608-K611 PolarHBondContact O-N 3.35Å; K611-L614 PolarHBondContact O-N 2.99Å; K611-L615 HydrophobicContact CG-CD1 4.09Å; K611-L615 VanDerWaalsContact O-CG 3.3Å; K611-L615 WeakPolarHBondContact O-CG 3.49Å; K611-L615 PolarHBondContact O-N 2.82Å; K611-L615 VanDerWaalsContact O-N 3.08Å |
| 612 | T | 98 | Very high | 95.7 | Very high | 67 Ų | 67 | 64.7 Ų | 64.7 | 41% | 0.411 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.4 | -48.3 | 174.8 | -62.3 | 0 | 0 | 0 | 0 | 111 | K608 Q609 L610 L614 L615 E616 | K608-T612 PolarHBondContact O-N 2.99Å; K608-T612 PolarHBondContact O-OG1 3.48Å; K608-T612 VanDerWaalsContact O-OG1 3.13Å; Q609-T612 PolarHBondContact O-N 2.95Å; L610-T612 PolarHBondContact O-N 3.03Å; T612-L614 PolarHBondContact O-N 3.43Å; T612-L615 WeakPolarHBondContact O-CB 3.45Å; T612-L615 PolarHBondContact O-N 3.08Å; T612-L615 VanDerWaalsContact O-N 3.13Å; T612-E616 PolarHBondContact O-N 3.33Å |
| 613 | R | 98.2 | Very high | 95.3 | Very high | 97 Ų | 97 | 69.3 Ų | 69.3 | 37% | 0.366 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.6 | -38.1 | -177.6 | -174.5 | 51.4 | 168.8 | -164.3 | -9.3 | 113.1 | Q609 L610 L615 E616 L617 A673 | Q609-R613 WeakPolarHBondContact O-CB 3.47Å; Q609-R613 PolarHBondContact O-N 3.47Å; L610-R613 PolarHBondContact O-N 3.07Å; R613-L615 VanDerWaalsContact C-N 3.34Å; R613-E616 WeakPolarHBondContact CD-OE2 3.3Å; R613-E616 IonicContact CZ-OE2 2.69Å; R613-E616 IonicContact NE-OE2 2.86Å; R613-E616 IonicContact NH1-OE2 2.9Å; R613-E616 PolarHBondContact NH1-OE2 3.36Å; R613-E616 PolarHBondContact O-N 3.35Å; R613-L617 HydrophobicContact CG-CD1 3.98Å; R613-L617 WeakPolarHBondContact O-CB 3.3Å; R613-L617 WeakPolarHBondContact O-CD1 3.16Å; R613-L617 VanDerWaalsContact O-CG 3.24Å; R613-L617 WeakPolarHBondContact O-CG 3.49Å; R613-L617 PolarHBondContact O-N 3.43Å; R613-A673 HydrophobicContact CB-CB 4.45Å; R613-A673 HydrophobicContact CG-CB 3.87Å |
| 614 | L | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.4 | -32.2 | 174.8 | -68.3 | 174.7 | 0 | 0 | 0 | 112.3 | L487 V492 I496 L610 K611 T612 K618 I670 F674 | L487-L614 HydrophobicContact CD1-CB 4.45Å; L487-L614 HydrophobicContact CD2-CD2 4.36Å; V492-L614 HydrophobicContact CB-CB 4.45Å; V492-L614 HydrophobicContact CG1-CB 3.63Å; V492-L614 HydrophobicContact CG1-CD1 4.01Å; V492-L614 HydrophobicContact CG1-CG 4.5Å; V492-L614 HydrophobicContact CG2-CB 3.98Å; I496-L614 HydrophobicContact CG1-CD1 4.47Å; L610-L614 HydrophobicContact CD1-CD1 3.8Å; L610-L614 HydrophobicContact CD1-CG 4Å; L610-L614 HydrophobicContact CG-CD1 3.86Å; L610-L614 HydrophobicContact CG-CG 4.4Å; L610-L614 WeakPolarHBondContact O-CG 3.46Å; L610-L614 PolarHBondContact O-N 3.47Å; K611-L614 PolarHBondContact O-N 2.99Å; T612-L614 PolarHBondContact O-N 3.43Å; L614-K618 WeakPolarHBondContact O-CB 3.4Å; L614-K618 PolarHBondContact O-N 2.93Å; L614-I670 HydrophobicContact CD2-CG2 3.93Å; L614-F674 HydrophobicContact CD1-CE1 4.14Å; L614-F674 HydrophobicContact CD1-CE2 4.39Å; L614-F674 HydrophobicContact CD1-CZ 3.64Å; L614-F674 HydrophobicContact CD2-CE2 3.87Å; L614-F674 HydrophobicContact CD2-CZ 3.97Å; L614-F674 HydrophobicContact CG-CZ 4.42Å |
| 615 | L | 98 | Very high | 94.2 | Very high | 89 Ų | 89 | 67.6 Ų | 67.6 | 47% | 0.466 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.6 | -47.4 | 173.1 | -71.8 | 165.7 | 0 | 0 | 0 | 111.6 | V492 K611 T612 R613 L617 K618 E619 | V492-L615 HydrophobicContact CB-CD2 4.37Å; V492-L615 HydrophobicContact CG2-CD2 3.9Å; V492-L615 HydrophobicContact CG2-CG 4.2Å; K611-L615 HydrophobicContact CG-CD1 4.09Å; K611-L615 VanDerWaalsContact O-CG 3.3Å; K611-L615 WeakPolarHBondContact O-CG 3.49Å; K611-L615 PolarHBondContact O-N 2.82Å; K611-L615 VanDerWaalsContact O-N 3.08Å; T612-L615 WeakPolarHBondContact O-CB 3.45Å; T612-L615 PolarHBondContact O-N 3.08Å; T612-L615 VanDerWaalsContact O-N 3.13Å; R613-L615 VanDerWaalsContact C-N 3.34Å; L615-L617 VanDerWaalsContact C-N 3.28Å; L615-L617 PolarHBondContact O-N 3.02Å; L615-K618 PolarHBondContact O-N 3.1Å; L615-E619 PolarHBondContact O-N 3Å |
| 616 | E | 97.7 | Very high | 93.2 | Very high | 76 Ų | 76 | 65.2 Ų | 65.2 | 36% | 0.355 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -54.2 | -43.7 | 173.5 | -67.9 | 168.4 | -160.5 | 0 | 0 | 112.2 | T612 R613 K620 | T612-E616 PolarHBondContact O-N 3.33Å; R613-E616 WeakPolarHBondContact CD-OE2 3.3Å; R613-E616 IonicContact CZ-OE2 2.69Å; R613-E616 IonicContact NE-OE2 2.86Å; R613-E616 IonicContact NH1-OE2 2.9Å; R613-E616 PolarHBondContact NH1-OE2 3.36Å; R613-E616 PolarHBondContact O-N 3.35Å; E616-K620 WeakPolarHBondContact O-CG 3.21Å; E616-K620 PolarHBondContact O-N 3.37Å |
| 617 | L | 97.3 | Very high | 91.9 | Very high | 3 Ų | 3 | 69.4 Ų | 69.4 | 2% | 0.016 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -72 | -37.6 | -179 | -68.9 | 166.8 | 0 | 0 | 0 | 111.3 | L487 R613 L615 E619 K620 I621 C669 I670 | L487-L617 HydrophobicContact CD2-CB 3.74Å; R613-L617 HydrophobicContact CG-CD1 3.98Å; R613-L617 WeakPolarHBondContact O-CB 3.3Å; R613-L617 WeakPolarHBondContact O-CD1 3.16Å; R613-L617 VanDerWaalsContact O-CG 3.24Å; R613-L617 WeakPolarHBondContact O-CG 3.49Å; R613-L617 PolarHBondContact O-N 3.43Å; L615-L617 VanDerWaalsContact C-N 3.28Å; L615-L617 PolarHBondContact O-N 3.02Å; L617-E619 VanDerWaalsContact C-N 3.32Å; L617-E619 PolarHBondContact O-N 3.36Å; L617-K620 PolarHBondContact O-N 3.44Å; L617-I621 WeakPolarHBondContact O-CG1 3.36Å; L617-I621 PolarHBondContact O-N 3.41Å; L617-C669 HydrophobicContact CD1-CB 4.15Å; L617-C669 WeakPolarHBondContact CD1-O 3.38Å; L617-C669 HydrophobicContact CD2-CB 3.66Å; L617-I670 HydrophobicContact CB-CG1 4.23Å; L617-I670 HydrophobicContact CD1-CB 4.49Å; L617-I670 HydrophobicContact CD1-CG1 3.81Å |
| 618 | K | 95.7 | Very high | 89.9 | Confident | 65 Ų | 65 | 73.1 Ų | 73.1 | 28% | 0.283 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.3 | -33.8 | 175.3 | -164.2 | 173.2 | 179.5 | 80.8 | 0 | 112 | L487 L490 V492 L614 L615 I621 F622 | L487-K618 HydrophobicContact CD1-CB 4.08Å; L487-K618 HydrophobicContact CD1-CD 4.2Å; L487-K618 HydrophobicContact CD1-CG 4.35Å; L487-K618 HydrophobicContact CD2-CB 4.12Å; L487-K618 HydrophobicContact CG-CB 4Å; L487-K618 HydrophobicContact CG-CG 4.27Å; L487-K618 PolarHBondContact O-NZ 3.35Å; L490-K618 PolarHBondContact O-NZ 2.77Å; V492-K618 HydrophobicContact CG2-CD 4.17Å; L614-K618 WeakPolarHBondContact O-CB 3.4Å; L614-K618 PolarHBondContact O-N 2.93Å; L615-K618 PolarHBondContact O-N 3.1Å; K618-I621 PolarHBondContact O-N 3.36Å; K618-F622 PolarHBondContact O-N 3.32Å |
| 619 | E | 93.9 | Very high | 87.7 | Confident | 113 Ų | 113 | 72.4 Ų | 72.4 | 53% | 0.528 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.2 | -44.1 | 172.5 | -158.2 | -161.7 | 139.2 | 0 | 0 | 111.6 | L615 L617 I621 F622 Q623 | L615-E619 PolarHBondContact O-N 3Å; L617-E619 VanDerWaalsContact C-N 3.32Å; L617-E619 PolarHBondContact O-N 3.36Å; E619-I621 VanDerWaalsContact C-N 3.29Å; E619-I621 PolarHBondContact O-N 3.38Å; E619-F622 WeakPolarHBondContact O-CA 3.33Å; E619-F622 WeakPolarHBondContact O-CB 3.19Å; E619-F622 PolarHBondContact O-N 3.19Å; E619-Q623 WeakPolarHBondContact O-CG 3.36Å; E619-Q623 PolarHBondContact O-N 3.45Å; E619-Q623 PolarHBondContact OE1-NE2 3.35Å |
| 620 | K | 93.9 | Very high | 85 | Confident | 94 Ų | 94 | 72.6 Ų | 72.6 | 41% | 0.409 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.6 | -36.6 | 175.1 | -68.9 | 173.3 | -174.6 | 177.8 | 0 | 112.6 | E616 L617 M624 | E616-K620 WeakPolarHBondContact O-CG 3.21Å; E616-K620 PolarHBondContact O-N 3.37Å; L617-K620 PolarHBondContact O-N 3.44Å; K620-M624 WeakPolarHBondContact O-CB 3.45Å; K620-M624 PolarHBondContact O-N 3.06Å |
| 621 | I | 93.2 | Very high | 82.1 | Confident | 3 Ų | 3 | 75.5 Ų | 75.5 | 2% | 0.015 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 172.4 | -64.5 | 174.7 | 0 | 0 | 0 | 110.8 | F484 L487 D488 L617 K618 E619 M624 K625 I666 I670 | F484-I621 HydrophobicContact CD2-CD1 4.04Å; F484-I621 HydrophobicContact CD2-CG1 4.02Å; F484-I621 HydrophobicContact CE2-CB 4.34Å; F484-I621 HydrophobicContact CE2-CD1 4.08Å; F484-I621 HydrophobicContact CE2-CG1 3.66Å; F484-I621 HydrophobicContact CE2-CG2 3.99Å; F484-I621 HydrophobicContact CZ-CG1 4.38Å; F484-I621 HydrophobicContact CZ-CG2 3.86Å; L487-I621 HydrophobicContact CB-CD1 3.99Å; L487-I621 HydrophobicContact CD2-CD1 4.01Å; L487-I621 HydrophobicContact CG-CD1 4Å; D488-I621 HydrophobicContact CB-CG2 4.26Å; D488-I621 WeakPolarHBondContact OD1-CG2 3.24Å; L617-I621 WeakPolarHBondContact O-CG1 3.36Å; L617-I621 PolarHBondContact O-N 3.41Å; K618-I621 PolarHBondContact O-N 3.36Å; E619-I621 VanDerWaalsContact C-N 3.29Å; E619-I621 PolarHBondContact O-N 3.38Å; I621-M624 CarbonylContact O-C 3.59Å; I621-M624 PolarHBondContact O-N 3.11Å; I621-K625 PolarHBondContact O-N 3.2Å; I621-I666 HydrophobicContact CD1-CG2 4.05Å; I621-I666 HydrophobicContact CG1-CD1 4.44Å; I621-I666 HydrophobicContact CG1-CG2 3.83Å; I621-I670 HydrophobicContact CD1-CD1 4.35Å |
| 622 | F | 89.8 | Confident | 79.3 | Confident | 126 Ų | 126 | 77.2 Ų | 77.2 | 55% | 0.553 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -63.6 | -45.7 | 177.6 | 179.1 | -115.8 | 0 | 0 | 0 | 112.4 | K618 E619 M624 K625 N626 | K618-F622 PolarHBondContact O-N 3.32Å; E619-F622 WeakPolarHBondContact O-CA 3.33Å; E619-F622 WeakPolarHBondContact O-CB 3.19Å; E619-F622 PolarHBondContact O-N 3.19Å; F622-M624 VanDerWaalsContact C-N 3.3Å; F622-M624 PolarHBondContact O-N 2.83Å; F622-K625 WeakPolarHBondContact O-CB 3.4Å; F622-K625 PolarHBondContact O-N 2.95Å; F622-N626 WeakPolarHBondContact CE1-ND2 3.36Å; F622-N626 WeakPolarHBondContact CE2-OD1 3.42Å; F622-N626 WeakPolarHBondContact CZ-ND2 2.96Å; F622-N626 PolarHBondContact O-N 2.72Å |
| 623 | Q | 87.3 | Confident | 76.7 | Confident | 97 Ų | 97 | 83.6 Ų | 83.6 | 45% | 0.453 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -55.7 | -44.1 | 173.2 | -67 | 171.3 | 8 | 0 | 0 | 111.3 | E619 K625 N626 T627 | E619-Q623 WeakPolarHBondContact O-CG 3.36Å; E619-Q623 PolarHBondContact O-N 3.45Å; E619-Q623 PolarHBondContact OE1-NE2 3.35Å; Q623-K625 VanDerWaalsContact C-N 3.28Å; Q623-K625 PolarHBondContact O-N 3.07Å; Q623-N626 PolarHBondContact O-N 3.1Å; Q623-T627 PolarHBondContact O-N 2.91Å |
| 624 | M | 84 | Confident | 74.3 | Confident | 27 Ų | 27 | 85.4 Ų | 85.4 | 13% | 0.133 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -73 | -12.9 | 177.3 | -158.4 | -158.5 | 70.3 | 0 | 0 | 114.4 | F484 K620 I621 F622 T627 K662 R663 I666 | F484-M624 HydrophobicContact CE2-CE 3.98Å; F484-M624 HydrophobicContact CZ-CE 3.85Å; K620-M624 WeakPolarHBondContact O-CB 3.45Å; K620-M624 PolarHBondContact O-N 3.06Å; I621-M624 CarbonylContact O-C 3.59Å; I621-M624 PolarHBondContact O-N 3.11Å; F622-M624 VanDerWaalsContact C-N 3.3Å; F622-M624 PolarHBondContact O-N 2.83Å; M624-T627 PolarHBondContact O-OG1 2.84Å; M624-K662 HydrophobicContact SD-CB 3.79Å; M624-K662 HydrophobicContact SD-CD 4.49Å; M624-R663 HydrophobicContact CE-CG 3.86Å; M624-I666 HydrophobicContact SD-CD1 4.5Å |
| 625 | K | 79.7 | Confident | 72.1 | Confident | 83 Ų | 83 | 89 Ų | 89 | 36% | 0.361 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -85.9 | -42.6 | 169 | -83.9 | -177.6 | 164.4 | 174.9 | 0 | 111.5 | D488 I621 F622 Q623 T627 R628 | D488-K625 WeakPolarHBondContact OD1-CE 2.85Å; D488-K625 IonicContact OD1-NZ 3.64Å; D488-K625 PolarHBondContact OD1-NZ 3.1Å; D488-K625 WeakPolarHBondContact OD2-CE 3.49Å; D488-K625 IonicContact OD2-NZ 2.57Å; D488-K625 PolarHBondContact OD2-NZ 2.78Å; I621-K625 PolarHBondContact O-N 3.2Å; F622-K625 WeakPolarHBondContact O-CB 3.4Å; F622-K625 PolarHBondContact O-N 2.95Å; Q623-K625 VanDerWaalsContact C-N 3.28Å; Q623-K625 PolarHBondContact O-N 3.07Å; K625-T627 VanDerWaalsContact C-N 3.3Å; K625-T627 PolarHBondContact O-N 3.39Å; K625-R628 VanDerWaalsContact O-CB 3.31Å; K625-R628 WeakPolarHBondContact O-CB 3.27Å; K625-R628 WeakPolarHBondContact O-CG 3.2Å; K625-R628 PolarHBondContact O-N 2.9Å; K625-R628 VanDerWaalsContact O-N 3.08Å |
| 626 | N | 72.8 | Confident | 70 | Confident | 64 Ų | 64 | 87 Ų | 87 | 34% | 0.342 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66 | -31.4 | -175.8 | -65.7 | -14.5 | 0 | 0 | 0 | 112.9 | F622 Q623 R628 I629 | F622-N626 WeakPolarHBondContact CE1-ND2 3.36Å; F622-N626 WeakPolarHBondContact CE2-OD1 3.42Å; F622-N626 WeakPolarHBondContact CZ-ND2 2.96Å; F622-N626 PolarHBondContact O-N 2.72Å; Q623-N626 PolarHBondContact O-N 3.1Å; N626-R628 PolarHBondContact O-N 2.91Å; N626-R628 VanDerWaalsContact O-N 3.1Å; N626-I629 WeakPolarHBondContact O-CB 3.1Å; N626-I629 PolarHBondContact O-N 3.11Å |
| 627 | T | 67.3 | Low | 68.1 | Low | 101 Ų | 101 | 87.5 Ų | 87.5 | 62% | 0.62 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -15.7 | 173.6 | 49.2 | 0 | 0 | 0 | 0 | 114.2 | Q623 M624 K625 | Q623-T627 PolarHBondContact O-N 2.91Å; M624-T627 PolarHBondContact O-OG1 2.84Å; K625-T627 VanDerWaalsContact C-N 3.3Å; K625-T627 PolarHBondContact O-N 3.39Å |
| 628 | R | 53.7 | Low | 66.2 | Low | 106 Ų | 106 | 88.3 Ų | 88.3 | 40% | 0.4 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -16.1 | 173.6 | -54.4 | -177.8 | -174.3 | -143.1 | 2.3 | 113.8 | K625 N626 A630 S631 | K625-R628 VanDerWaalsContact O-CB 3.31Å; K625-R628 WeakPolarHBondContact O-CB 3.27Å; K625-R628 WeakPolarHBondContact O-CG 3.2Å; K625-R628 PolarHBondContact O-N 2.9Å; K625-R628 VanDerWaalsContact O-N 3.08Å; N626-R628 PolarHBondContact O-N 2.91Å; N626-R628 VanDerWaalsContact O-N 3.1Å; R628-A630 VanDerWaalsContact C-N 3.28Å; R628-A630 PolarHBondContact O-N 2.94Å; R628-S631 PolarHBondContact O-N 3.5Å |
| 629 | I | 51.2 | Low | 64.5 | Low | 141 Ų | 141 | 88.4 Ų | 88.4 | 72% | 0.723 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -20.3 | -171.6 | -58.5 | 175.6 | 0 | 0 | 0 | 111.4 | N626 | N626-I629 WeakPolarHBondContact O-CB 3.1Å; N626-I629 PolarHBondContact O-N 3.11Å |
| 630 | A | 40.4 | Very low | 62.8 | Low | 100 Ų | 100 | 85.7 Ų | 85.7 | 83% | 0.826 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -11.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | R628 | R628-A630 VanDerWaalsContact C-N 3.28Å; R628-A630 PolarHBondContact O-N 2.94Å |
| 631 | S | 35.8 | Very low | 61.3 | Low | 66 Ų | 66 | 82 Ų | 82 | 46% | 0.462 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -146.2 | 133.3 | -177.2 | 54.7 | 0 | 0 | 0 | 0 | 113.4 | R628 | R628-S631 PolarHBondContact O-N 3.5Š|
| 632 | S | 38.5 | Very low | 59.7 | Low | 104 Ų | 104 | 83.7 Ų | 83.7 | 73% | 0.727 | 44% | 0.443 | S | S | * | . | trans | 72.3 | 135.6 | -178.9 | 79 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 633 | K | 44.2 | Very low | 58.2 | Low | 200 Ų | 200 | 79.4 Ų | 79.4 | 87% | 0.87 | 43% | 0.428 | S | S | * | . | trans | -61.1 | 139.8 | 145.2 | -68.2 | -179.7 | 177 | -177.3 | 0 | 106.5 | M635 | K633-M635 PolarHBondContact O-N 2.95Š| ||
| 634 | T | 48.4 | Very low | 57 | Low | 136 Ų | 136 | 77.2 Ų | 77.2 | 83% | 0.834 | 42% | 0.419 | S | S | * | . | trans | -56.6 | 105.8 | 177.5 | 46.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 635 | M | 52.4 | Low | 55.9 | Low | 74 Ų | 74 | 76.3 Ų | 76.3 | 37% | 0.365 | 41% | 0.414 | S | S | . | . | trans | -69.7 | 129.5 | -179.1 | -172 | 162 | 83.1 | 0 | 0 | 109.4 | K633 M639 M640 C643 | K633-M635 PolarHBondContact O-N 2.95Å; M635-M639 HydrophobicContact CE-CB 4.31Å; M635-M639 HydrophobicContact CG-CB 3.56Å; M635-M639 HydrophobicContact CG-CE 4.28Å; M635-M639 HydrophobicContact CG-SD 4.3Å; M635-M639 HydrophobicContact SD-CB 4.02Å; M635-M639 HydrophobicContact SD-CE 4.08Å; M635-M640 HydrophobicContact CE-CB 4.44Å; M635-C643 HydrophobicContact CE-CB 4.03Å | ||
| 636 | P | 52.2 | Low | 54.8 | Low | 47 Ų | 47 | 73.9 Ų | 73.9 | 31% | 0.305 | 41% | 0.408 | S | S | . | . | trans | -55.5 | 145.4 | -178.3 | -28 | 35.4 | 0 | 0 | 0 | 112.2 | E312 N638 M639 M640 | E312-P636 WeakPolarHBondContact OE1-CA 3.45Å; P636-N638 PolarHBondContact O-N 3.37Å; P636-N638 VanDerWaalsContact O-N 3.1Å; P636-M639 WeakPolarHBondContact O-CA 3.28Å; P636-M639 WeakPolarHBondContact O-CB 3.13Å; P636-M639 PolarHBondContact O-N 2.75Å; P636-M640 PolarHBondContact O-N 3.09Å | ||
| 637 | R | 57.5 | Low | 53.5 | Low | 88 Ų | 88 | 76.6 Ų | 76.6 | 33% | 0.332 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -55.4 | -35.1 | -176.8 | -169.2 | 172.8 | -174.6 | 161.9 | 0.4 | 112.1 | E312 M639 M640 L641 | E312-R637 PolarHBondContact OE1-N 3.21Å; R637-M639 PolarHBondContact O-N 3.23Å; R637-M640 WeakPolarHBondContact O-CB 3.44Å; R637-M640 PolarHBondContact O-N 3.29Å; R637-M640 VanDerWaalsContact O-N 3.14Å; R637-L641 WeakPolarHBondContact O-CG 3.34Å; R637-L641 PolarHBondContact O-N 3.49Å |
| 638 | N | 58.3 | Low | 52.6 | Low | 20 Ų | 20 | 75.5 Ų | 75.5 | 11% | 0.107 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -56.6 | -48.1 | 174.8 | -53.7 | 1.8 | 0 | 0 | 0 | 110.8 | P311 E312 V313 P636 L641 D642 | P311-N638 PolarHBondContact O-ND2 2.9Å; E312-N638 WeakPolarHBondContact CA-OD1 3.46Å; V313-N638 WeakPolarHBondContact CG2-OD1 3.48Å; V313-N638 PolarHBondContact N-OD1 3.2Å; P636-N638 PolarHBondContact O-N 3.37Å; P636-N638 VanDerWaalsContact O-N 3.1Å; N638-L641 WeakPolarHBondContact O-CB 3.41Å; N638-L641 PolarHBondContact O-N 2.89Å; N638-D642 VanDerWaalsContact O-CG 3.3Å; N638-D642 PolarHBondContact O-N 2.81Å; N638-D642 VanDerWaalsContact O-N 3.1Å |
| 639 | M | 59.1 | Low | 52.2 | Low | 66 Ų | 66 | 77.5 Ų | 77.5 | 33% | 0.325 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -70.2 | -31.3 | 175.5 | -74.2 | -177.8 | 69.5 | 0 | 0 | 113.2 | R383 M635 P636 R637 L641 D642 C643 | R383-M639 PolarHBondContact NH2-SD 3Å; M635-M639 HydrophobicContact CE-CB 4.31Å; M635-M639 HydrophobicContact CG-CB 3.56Å; M635-M639 HydrophobicContact CG-CE 4.28Å; M635-M639 HydrophobicContact CG-SD 4.3Å; M635-M639 HydrophobicContact SD-CB 4.02Å; M635-M639 HydrophobicContact SD-CE 4.08Å; P636-M639 WeakPolarHBondContact O-CA 3.28Å; P636-M639 WeakPolarHBondContact O-CB 3.13Å; P636-M639 PolarHBondContact O-N 2.75Å; R637-M639 PolarHBondContact O-N 3.23Å; M639-L641 VanDerWaalsContact C-N 3.31Å; M639-D642 PolarHBondContact O-N 3.33Å; M639-C643 WeakPolarHBondContact O-CB 3.34Å; M639-C643 PolarHBondContact O-N 3.1Å; M639-C643 PolarHBondContact O-SG 2.95Å; M639-C643 VanDerWaalsContact O-SG 3.36Å |
| 640 | M | 59.3 | Low | 52.4 | Low | 57 Ų | 57 | 72 Ų | 72 | 28% | 0.281 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.3 | -38.8 | 174.8 | -166.9 | -172.7 | 75.1 | 0 | 0 | 111.3 | M635 P636 R637 M644 E656 | M635-M640 HydrophobicContact CE-CB 4.44Å; P636-M640 PolarHBondContact O-N 3.09Å; R637-M640 WeakPolarHBondContact O-CB 3.44Å; R637-M640 PolarHBondContact O-N 3.29Å; R637-M640 VanDerWaalsContact O-N 3.14Å; M640-M644 HydrophobicContact CE-CE 4.49Å; M640-M644 HydrophobicContact CE-SD 4.3Å; M640-M644 HydrophobicContact CG-SD 4.47Å; M640-M644 VanDerWaalsContact O-CB 3.31Å; M640-M644 WeakPolarHBondContact O-CB 3.03Å; M640-M644 VanDerWaalsContact O-CG 3.29Å; M640-M644 WeakPolarHBondContact O-CG 3.36Å; M640-M644 PolarHBondContact O-N 2.88Å; M640-E656 HydrophobicContact SD-CG 4.27Å |
| 641 | L | 62 | Low | 53.3 | Low | 16 Ų | 16 | 75.5 Ų | 75.5 | 8% | 0.084 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -63.1 | -50.6 | 171.8 | -64.5 | 164.6 | 0 | 0 | 0 | 110.6 | Y421 R637 N638 M639 C643 M644 F645 | Y421-L641 HydrophobicContact CD1-CD1 4.26Å; R637-L641 WeakPolarHBondContact O-CG 3.34Å; R637-L641 PolarHBondContact O-N 3.49Å; N638-L641 WeakPolarHBondContact O-CB 3.41Å; N638-L641 PolarHBondContact O-N 2.89Å; M639-L641 VanDerWaalsContact C-N 3.31Å; L641-C643 VanDerWaalsContact C-N 3.31Å; L641-C643 PolarHBondContact O-N 3.06Å; L641-M644 PolarHBondContact O-N 3.29Å; L641-M644 VanDerWaalsContact O-N 3.17Å; L641-F645 HydrophobicContact CB-CD2 4.4Å; L641-F645 HydrophobicContact CB-CE2 4.45Å; L641-F645 HydrophobicContact CD2-CE2 3.84Å; L641-F645 WeakPolarHBondContact O-CD2 3.36Å; L641-F645 PolarHBondContact O-N 3.48Å |
| 642 | D | 59.9 | Low | 54.3 | Low | 38 Ų | 38 | 76.6 Ų | 76.6 | 20% | 0.203 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -54.6 | -45.2 | 177.1 | -62.8 | -26.7 | 0 | 0 | 0 | 112.1 | R383 S422 L426 N638 M639 S646 | R383-D642 IonicContact NH1-OD2 3.12Å; R383-D642 PolarHBondContact NH1-OD2 3.46Å; S422-D642 PolarHBondContact OG-OD1 3.28Å; L426-D642 VanDerWaalsContact CD1-OD1 3.28Å; L426-D642 WeakPolarHBondContact CD1-OD1 3.24Å; N638-D642 VanDerWaalsContact O-CG 3.3Å; N638-D642 PolarHBondContact O-N 2.81Å; N638-D642 VanDerWaalsContact O-N 3.1Å; M639-D642 PolarHBondContact O-N 3.33Å; D642-S646 VanDerWaalsContact O-CB 3.29Å; D642-S646 WeakPolarHBondContact O-CB 3.41Å; D642-S646 PolarHBondContact O-N 3.28Å |
| 643 | C | 59.1 | Low | 55.1 | Low | 36 Ų | 36 | 72.9 Ų | 72.9 | 24% | 0.243 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -70.2 | -38 | 178.1 | -70.6 | 0 | 0 | 0 | 0 | 113.2 | M635 M639 L641 F645 S646 | M635-C643 HydrophobicContact CE-CB 4.03Å; M639-C643 WeakPolarHBondContact O-CB 3.34Å; M639-C643 PolarHBondContact O-N 3.1Å; M639-C643 PolarHBondContact O-SG 2.95Å; M639-C643 VanDerWaalsContact O-SG 3.36Å; L641-C643 VanDerWaalsContact C-N 3.31Å; L641-C643 PolarHBondContact O-N 3.06Å; C643-F645 VanDerWaalsContact C-N 3.35Å; C643-S646 PolarHBondContact O-OG 3.16Å |
| 644 | M | 60.9 | Low | 56 | Low | 51 Ų | 51 | 69.6 Ų | 69.6 | 25% | 0.251 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66 | -34.9 | 176.7 | -83 | -176.8 | 160.2 | 0 | 0 | 112.8 | M640 L641 E656 | M640-M644 HydrophobicContact CE-CE 4.49Å; M640-M644 HydrophobicContact CE-SD 4.3Å; M640-M644 HydrophobicContact CG-SD 4.47Å; M640-M644 VanDerWaalsContact O-CB 3.31Å; M640-M644 WeakPolarHBondContact O-CB 3.03Å; M640-M644 VanDerWaalsContact O-CG 3.29Å; M640-M644 WeakPolarHBondContact O-CG 3.36Å; M640-M644 PolarHBondContact O-N 2.88Å; L641-M644 PolarHBondContact O-N 3.29Å; L641-M644 VanDerWaalsContact O-N 3.17Å; M644-E656 HydrophobicContact CE-CB 3.58Å; M644-E656 HydrophobicContact CE-CG 4.17Å |
| 645 | F | 61 | Low | 56.8 | Low | 8 Ų | 8 | 67 Ų | 67 | 4% | 0.035 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -103.7 | 6.3 | -178 | -56.6 | -60 | 0 | 0 | 0 | 113.8 | N415 G418 F419 R423 A463 L641 C643 | N415-F645 WeakPolarHBondContact O-CZ 3.48Å; G418-F645 VanDerWaalsContact C-CE2 3.43Å; F419-F645 HydrophobicContact CB-CD1 4.01Å; F419-F645 HydrophobicContact CB-CD2 4.42Å; F419-F645 HydrophobicContact CB-CE1 3.73Å; F419-F645 HydrophobicContact CB-CE2 4.18Å; F419-F645 HydrophobicContact CB-CG 4.35Å; F419-F645 HydrophobicContact CB-CZ 3.83Å; F419-F645 HydrophobicContact CD2-CB 4.47Å; F419-F645 AromaticContact CD2-CD1 3.71Å; F419-F645 HydrophobicContact CD2-CD1 3.71Å; F419-F645 HydrophobicContact CD2-CE1 4.18Å; F419-F645 HydrophobicContact CD2-CG 4.14Å; F419-F645 HydrophobicContact CG-CD1 4.37Å; F419-F645 HydrophobicContact CG-CE1 4.46Å; F419-F645 VanDerWaalsContact N-CE2 3.34Å; R423-F645 VanDerWaalsContact CZ-O 3.27Å; R423-F645 PolarHBondContact NE-O 3.43Å; R423-F645 PolarHBondContact NH2-O 3.27Å; A463-F645 HydrophobicContact CB-CD1 3.46Å; A463-F645 VanDerWaalsContact CB-CD1 3.46Å; A463-F645 HydrophobicContact CB-CE1 3.44Å; A463-F645 VanDerWaalsContact CB-CE1 3.44Å; L641-F645 HydrophobicContact CB-CD2 4.4Å; L641-F645 HydrophobicContact CB-CE2 4.45Å; L641-F645 HydrophobicContact CD2-CE2 3.84Å; L641-F645 WeakPolarHBondContact O-CD2 3.36Å; L641-F645 PolarHBondContact O-N 3.48Å; C643-F645 VanDerWaalsContact C-N 3.35Å |
| 646 | S | 57.3 | Low | 57.4 | Low | 33 Ų | 33 | 64.9 Ų | 64.9 | 23% | 0.231 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -67.5 | 151.4 | 171.7 | 69.5 | 0 | 0 | 0 | 0 | 111.9 | D642 C643 S648 | D642-S646 VanDerWaalsContact O-CB 3.29Å; D642-S646 WeakPolarHBondContact O-CB 3.41Å; D642-S646 PolarHBondContact O-N 3.28Å; C643-S646 PolarHBondContact O-OG 3.16Å; S646-S648 PolarHBondContact O-N 3.29Å; S646-S648 PolarHBondContact OG-O 2.63Å; S646-S648 PolarHBondContact OG-OG 2.81Å |
| 647 | T | 45.7 | Very low | 57.9 | Low | 121 Ų | 121 | 66.6 Ų | 66.6 | 74% | 0.742 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -73.6 | -8 | 177.5 | 46.9 | 0 | 0 | 0 | 0 | 113.9 | ||
| 648 | S | 48.7 | Very low | 58.6 | Low | 78 Ų | 78 | 66.2 Ų | 66.2 | 55% | 0.545 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -84.1 | 117.4 | 170.7 | 46.5 | 0 | 0 | 0 | 0 | 110.9 | S646 S650 | S646-S648 PolarHBondContact O-N 3.29Å; S646-S648 PolarHBondContact OG-O 2.63Å; S646-S648 PolarHBondContact OG-OG 2.81Å; S648-S650 VanDerWaalsContact C-N 3.3Å; S648-S650 PolarHBondContact O-N 2.88Å |
| 649 | N | 44.8 | Very low | 59.3 | Low | 147 Ų | 147 | 67 Ų | 67 | 79% | 0.786 | 36% | 0.359 | S | S | * | . | trans | -58.7 | 86.1 | 171.9 | -74.7 | -29 | 0 | 0 | 0 | 111.2 | ||||
| 650 | S | 54.4 | Low | 59.9 | Low | 26 Ų | 26 | 65.7 Ų | 65.7 | 18% | 0.182 | 36% | 0.355 | C | S | . | . | trans | -85.7 | 135.5 | -175.2 | 70.1 | 0 | 0 | 0 | 0 | 112.1 | S648 L652 A653 | S648-S650 VanDerWaalsContact C-N 3.3Å; S648-S650 PolarHBondContact O-N 2.88Å; S650-L652 PolarHBondContact O-N 2.89Å; S650-A653 PolarHBondContact O-N 2.83Å; S650-A653 VanDerWaalsContact O-N 3.11Å | ||
| 651 | E | 59.9 | Low | 60.6 | Low | 173 Ų | 173 | 71 Ų | 71 | 81% | 0.808 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -58.5 | -31.3 | 174.9 | -60.2 | -179.5 | 137.8 | 0 | 0 | 111.4 | A653 Q654 E655 | E651-A653 VanDerWaalsContact C-N 3.3Å; E651-A653 PolarHBondContact O-N 3.07Å; E651-Q654 PolarHBondContact O-N 3.15Å; E651-Q654 VanDerWaalsContact O-N 3.11Å; E651-E655 PolarHBondContact O-N 2.82Å |
| 652 | L | 56.9 | Low | 61.6 | Low | 90 Ų | 90 | 74.9 Ų | 74.9 | 47% | 0.471 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -53.8 | -41.4 | 174.3 | -63.1 | 172.4 | 0 | 0 | 0 | 113.1 | S650 E655 E656 | S650-L652 PolarHBondContact O-N 2.89Å; L652-E655 PolarHBondContact O-N 2.84Å; L652-E656 PolarHBondContact O-N 2.9Å |
| 653 | A | 55.7 | Low | 62.7 | Low | 26 Ų | 26 | 74.2 Ų | 74.2 | 22% | 0.215 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -67.8 | -37.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S650 E651 L657 | S650-A653 PolarHBondContact O-N 2.83Å; S650-A653 VanDerWaalsContact O-N 3.11Å; E651-A653 VanDerWaalsContact C-N 3.3Å; E651-A653 PolarHBondContact O-N 3.07Å; A653-L657 PolarHBondContact O-N 2.79Å; A653-L657 VanDerWaalsContact O-N 3.09Å |
| 654 | Q | 62.2 | Low | 63.8 | Low | 131 Ų | 131 | 75.3 Ų | 75.3 | 61% | 0.612 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -68.8 | -39 | 173.7 | -58.4 | -170.1 | 16.1 | 0 | 0 | 111.6 | E651 L657 I658 | E651-Q654 PolarHBondContact O-N 3.15Å; E651-Q654 VanDerWaalsContact O-N 3.11Å; Q654-L657 WeakPolarHBondContact O-CB 3.3Å; Q654-L657 PolarHBondContact O-N 2.98Å; Q654-I658 WeakPolarHBondContact O-CG1 3.49Å; Q654-I658 PolarHBondContact O-N 3.32Å |
| 655 | E | 66.1 | Low | 65 | Low | 81 Ų | 81 | 79.2 Ų | 79.2 | 38% | 0.379 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 178.6 | -150.3 | -146.2 | 154.8 | 0 | 0 | 111.8 | E651 L652 I658 K659 | E651-E655 PolarHBondContact O-N 2.82Å; L652-E655 PolarHBondContact O-N 2.84Å; E655-I658 PolarHBondContact O-N 3.46Å; E655-K659 WeakPolarHBondContact O-CD 3.27Å; E655-K659 VanDerWaalsContact O-CG 3.27Å; E655-K659 WeakPolarHBondContact O-CG 3.4Å; E655-K659 PolarHBondContact O-N 3.48Å; E655-K659 WeakPolarHBondContact OE1-CE 3.28Å; E655-K659 IonicContact OE1-NZ 2.69Å; E655-K659 PolarHBondContact OE1-NZ 3.37Å; E655-K659 IonicContact OE2-NZ 2.74Å; E655-K659 PolarHBondContact OE2-NZ 3.48Å |
| 656 | E | 64.9 | Low | 66.5 | Low | 29 Ų | 29 | 79.9 Ų | 79.9 | 14% | 0.136 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -66.6 | -37.3 | 172.2 | -77.9 | -55.2 | 134.3 | 0 | 0 | 112.8 | M640 M644 L652 I658 K659 V660 R663 | M640-E656 HydrophobicContact SD-CG 4.27Å; M644-E656 HydrophobicContact CE-CB 3.58Å; M644-E656 HydrophobicContact CE-CG 4.17Å; L652-E656 PolarHBondContact O-N 2.9Å; E656-I658 VanDerWaalsContact C-N 3.31Å; E656-I658 PolarHBondContact O-N 3.03Å; E656-K659 VanDerWaalsContact CD-CD 3.49Å; E656-K659 HydrophobicContact CG-CD 4.5Å; E656-K659 PolarHBondContact O-N 3.32Å; E656-K659 VanDerWaalsContact O-N 3.16Å; E656-K659 WeakPolarHBondContact OE1-CD 3.49Å; E656-K659 WeakPolarHBondContact OE1-CE 3.21Å; E656-K659 IonicContact OE1-NZ 3.96Å; E656-K659 PolarHBondContact OE1-NZ 2.71Å; E656-V660 WeakPolarHBondContact O-CG2 3.4Å; E656-V660 PolarHBondContact O-N 3.12Å; E656-R663 IonicContact OE2-NH2 3.92Å; E656-R663 PolarHBondContact OE2-NH2 2.95Å |
| 657 | L | 62.7 | Low | 68.1 | Low | 83 Ų | 83 | 78.3 Ų | 78.3 | 44% | 0.435 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.1 | -41.3 | 171.4 | -105.6 | 163.6 | 0 | 0 | 0 | 112.3 | A653 Q654 R661 | A653-L657 PolarHBondContact O-N 2.79Å; A653-L657 VanDerWaalsContact O-N 3.09Å; Q654-L657 WeakPolarHBondContact O-CB 3.3Å; Q654-L657 PolarHBondContact O-N 2.98Å; L657-R661 WeakPolarHBondContact O-CG 3.37Å; L657-R661 PolarHBondContact O-N 2.92Å |
| 658 | I | 71.8 | Confident | 70.2 | Confident | 80 Ų | 80 | 75.5 Ų | 75.5 | 41% | 0.41 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.3 | -42.7 | 174 | -68.6 | 163.7 | 0 | 0 | 0 | 110.8 | Q654 E655 E656 R661 K662 | Q654-I658 WeakPolarHBondContact O-CG1 3.49Å; Q654-I658 PolarHBondContact O-N 3.32Å; E655-I658 PolarHBondContact O-N 3.46Å; E656-I658 VanDerWaalsContact C-N 3.31Å; E656-I658 PolarHBondContact O-N 3.03Å; I658-R661 PolarHBondContact O-N 3.44Å; I658-K662 HydrophobicContact CG2-CD 4.33Å; I658-K662 WeakPolarHBondContact O-CG 3.32Å; I658-K662 PolarHBondContact O-N 2.86Å; I658-K662 VanDerWaalsContact O-N 3.07Å |
| 659 | K | 73.3 | Confident | 72.4 | Confident | 36 Ų | 36 | 73.9 Ų | 73.9 | 16% | 0.157 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.4 | -42.1 | 177 | -68.8 | 159.8 | -167.5 | 165.6 | 0 | 111.8 | E655 E656 K662 R663 | E655-K659 WeakPolarHBondContact O-CD 3.27Å; E655-K659 VanDerWaalsContact O-CG 3.27Å; E655-K659 WeakPolarHBondContact O-CG 3.4Å; E655-K659 PolarHBondContact O-N 3.48Å; E655-K659 WeakPolarHBondContact OE1-CE 3.28Å; E655-K659 IonicContact OE1-NZ 2.69Å; E655-K659 PolarHBondContact OE1-NZ 3.37Å; E655-K659 IonicContact OE2-NZ 2.74Å; E655-K659 PolarHBondContact OE2-NZ 3.48Å; E656-K659 VanDerWaalsContact CD-CD 3.49Å; E656-K659 HydrophobicContact CG-CD 4.5Å; E656-K659 PolarHBondContact O-N 3.32Å; E656-K659 VanDerWaalsContact O-N 3.16Å; E656-K659 WeakPolarHBondContact OE1-CD 3.49Å; E656-K659 WeakPolarHBondContact OE1-CE 3.21Å; E656-K659 IonicContact OE1-NZ 3.96Å; E656-K659 PolarHBondContact OE1-NZ 2.71Å; K659-K662 PolarHBondContact O-N 3.34Å; K659-R663 VanDerWaalsContact O-CG 3.28Å; K659-R663 WeakPolarHBondContact O-CG 3.49Å; K659-R663 PolarHBondContact O-N 2.75Å; K659-R663 VanDerWaalsContact O-N 3.07Å; K659-R663 PolarHBondContact O-NE 3.3Å |
| 660 | V | 71.5 | Confident | 74.8 | Confident | 40 Ų | 40 | 66.9 Ų | 66.9 | 24% | 0.242 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.3 | -50.8 | 176 | 170.3 | 0 | 0 | 0 | 0 | 110 | E656 K662 R663 T664 | E656-V660 WeakPolarHBondContact O-CG2 3.4Å; E656-V660 PolarHBondContact O-N 3.12Å; V660-K662 VanDerWaalsContact C-N 3.29Å; V660-K662 PolarHBondContact O-N 2.87Å; V660-R663 WeakPolarHBondContact O-CB 3.27Å; V660-R663 PolarHBondContact O-N 3.06Å; V660-T664 PolarHBondContact O-N 2.94Å; V660-T664 PolarHBondContact O-OG1 3.34Å |
| 661 | R | 73.6 | Confident | 76.7 | Confident | 168 Ų | 168 | 67 Ų | 67 | 63% | 0.634 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -54 | -42.6 | 176.4 | -71.7 | 172.3 | -175.3 | 166.1 | 3.3 | 112.9 | L657 I658 T664 Q665 | L657-R661 WeakPolarHBondContact O-CG 3.37Å; L657-R661 PolarHBondContact O-N 2.92Å; I658-R661 PolarHBondContact O-N 3.44Å; R661-T664 PolarHBondContact O-N 3.08Å; R661-Q665 WeakPolarHBondContact O-CB 3.36Å; R661-Q665 PolarHBondContact O-N 2.85Å |
| 662 | K | 82.7 | Confident | 78.3 | Confident | 98 Ų | 98 | 61.8 Ų | 61.8 | 43% | 0.426 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 176.3 | -74.3 | 177.2 | 179 | -179.9 | 0 | 112.6 | M624 I658 K659 V660 Q665 I666 | M624-K662 HydrophobicContact SD-CB 3.79Å; M624-K662 HydrophobicContact SD-CD 4.49Å; I658-K662 HydrophobicContact CG2-CD 4.33Å; I658-K662 WeakPolarHBondContact O-CG 3.32Å; I658-K662 PolarHBondContact O-N 2.86Å; I658-K662 VanDerWaalsContact O-N 3.07Å; K659-K662 PolarHBondContact O-N 3.34Å; V660-K662 VanDerWaalsContact C-N 3.29Å; V660-K662 PolarHBondContact O-N 2.87Å; K662-Q665 PolarHBondContact O-N 2.9Å; K662-I666 WeakPolarHBondContact O-CG1 3.46Å; K662-I666 PolarHBondContact O-N 2.96Å; K662-I666 VanDerWaalsContact O-N 3.09Å |
| 663 | R | 84.4 | Confident | 80.2 | Confident | 24 Ų | 24 | 58 Ų | 58 | 9% | 0.091 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63 | -49.1 | 174.6 | -62.9 | 167.4 | -136.2 | 170.4 | 5.6 | 111.3 | E481 F484 M624 E656 K659 V660 Q665 I666 G667 | E481-R663 WeakPolarHBondContact OE1-CD 3.25Å; E481-R663 IonicContact OE1-NH1 2.66Å; E481-R663 PolarHBondContact OE1-NH1 3.41Å; E481-R663 VanDerWaalsContact OE1-NH1 3.1Å; E481-R663 WeakPolarHBondContact OE2-CB 3.49Å; E481-R663 WeakPolarHBondContact OE2-CD 3.2Å; F484-R663 HydrophobicContact CB-CB 4.44Å; F484-R663 HydrophobicContact CD1-CB 4.18Å; F484-R663 HydrophobicContact CD1-CG 4.15Å; F484-R663 HydrophobicContact CD2-CB 3.82Å; F484-R663 HydrophobicContact CD2-CG 4.06Å; F484-R663 HydrophobicContact CE1-CB 4.45Å; F484-R663 HydrophobicContact CE1-CG 3.93Å; F484-R663 HydrophobicContact CE2-CB 4.07Å; F484-R663 HydrophobicContact CE2-CG 3.78Å; F484-R663 HydrophobicContact CG-CB 3.89Å; F484-R663 HydrophobicContact CG-CG 4.24Å; F484-R663 HydrophobicContact CZ-CB 4.4Å; F484-R663 HydrophobicContact CZ-CG 3.75Å; M624-R663 HydrophobicContact CE-CG 3.86Å; E656-R663 IonicContact OE2-NH2 3.92Å; E656-R663 PolarHBondContact OE2-NH2 2.95Å; K659-R663 VanDerWaalsContact O-CG 3.28Å; K659-R663 WeakPolarHBondContact O-CG 3.49Å; K659-R663 PolarHBondContact O-N 2.75Å; K659-R663 VanDerWaalsContact O-N 3.07Å; K659-R663 PolarHBondContact O-NE 3.3Å; V660-R663 WeakPolarHBondContact O-CB 3.27Å; V660-R663 PolarHBondContact O-N 3.06Å; R663-Q665 VanDerWaalsContact C-N 3.3Å; R663-Q665 PolarHBondContact O-N 2.99Å; R663-I666 PolarHBondContact O-N 3.25Å; R663-G667 PolarHBondContact O-N 2.99Å |
| 664 | T | 80.9 | Confident | 82.2 | Confident | 59 Ų | 59 | 57 Ų | 57 | 36% | 0.362 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -55.3 | -43.5 | 176.9 | -48.8 | 0 | 0 | 0 | 0 | 111.8 | C480 V660 R661 G667 S668 | C480-T664 HydrophobicContact CB-CG2 3.84Å; C480-T664 WeakPolarHBondContact CB-O 3.33Å; V660-T664 PolarHBondContact O-N 2.94Å; V660-T664 PolarHBondContact O-OG1 3.34Å; R661-T664 PolarHBondContact O-N 3.08Å; T664-G667 PolarHBondContact O-N 3.45Å; T664-S668 PolarHBondContact O-N 3.02Å |
| 665 | Q | 86.3 | Confident | 83.7 | Confident | 132 Ų | 132 | 51.5 Ų | 51.5 | 62% | 0.617 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -66.2 | -42.6 | 178.8 | -170.1 | -179.6 | 17.8 | 0 | 0 | 112.5 | R661 K662 R663 G667 S668 C669 | R661-Q665 WeakPolarHBondContact O-CB 3.36Å; R661-Q665 PolarHBondContact O-N 2.85Å; K662-Q665 PolarHBondContact O-N 2.9Å; R663-Q665 VanDerWaalsContact C-N 3.3Å; R663-Q665 PolarHBondContact O-N 2.99Å; Q665-G667 VanDerWaalsContact C-N 3.35Å; Q665-S668 PolarHBondContact O-N 3.41Å; Q665-C669 PolarHBondContact O-N 2.75Å; Q665-C669 VanDerWaalsContact O-N 3.16Å; Q665-C669 PolarHBondContact O-SG 3.01Å |
| 666 | I | 92.6 | Very high | 85.1 | Confident | 22 Ų | 22 | 50.5 Ų | 50.5 | 11% | 0.113 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.5 | -43.1 | 173.3 | -68.6 | 167.6 | 0 | 0 | 0 | 110.1 | F484 I621 M624 K662 R663 S668 C669 I670 | F484-I666 HydrophobicContact CD2-CB 4.13Å; F484-I666 HydrophobicContact CD2-CG2 4Å; F484-I666 HydrophobicContact CE2-CD1 4.37Å; I621-I666 HydrophobicContact CD1-CG2 4.05Å; I621-I666 HydrophobicContact CG1-CD1 4.44Å; I621-I666 HydrophobicContact CG1-CG2 3.83Å; M624-I666 HydrophobicContact SD-CD1 4.5Å; K662-I666 WeakPolarHBondContact O-CG1 3.46Å; K662-I666 PolarHBondContact O-N 2.96Å; K662-I666 VanDerWaalsContact O-N 3.09Å; R663-I666 PolarHBondContact O-N 3.25Å; I666-S668 PolarHBondContact O-N 2.74Å; I666-C669 WeakPolarHBondContact O-CA 3.35Å; I666-C669 WeakPolarHBondContact O-CB 3.49Å; I666-C669 PolarHBondContact O-N 2.92Å; I666-C669 VanDerWaalsContact O-N 3.08Å; I666-I670 HydrophobicContact CG2-CD1 3.92Å; I666-I670 HydrophobicContact CG2-CG1 4.42Å; I666-I670 WeakPolarHBondContact O-CG1 3.16Å; I666-I670 PolarHBondContact O-N 2.89Å |
| 667 | G | 91.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -55.5 | -46.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | C480 R663 T664 Q665 C669 I670 K671 | C480-G667 VanDerWaalsContact O-CA 3.24Å; C480-G667 WeakPolarHBondContact O-CA 3.48Å; R663-G667 PolarHBondContact O-N 2.99Å; T664-G667 PolarHBondContact O-N 3.45Å; Q665-G667 VanDerWaalsContact C-N 3.35Å; G667-C669 VanDerWaalsContact C-N 3.33Å; G667-C669 PolarHBondContact O-N 3.2Å; G667-I670 WeakPolarHBondContact O-CB 3.35Å; G667-I670 PolarHBondContact O-N 2.89Å; G667-I670 VanDerWaalsContact O-N 3.16Å; G667-K671 PolarHBondContact O-N 3.3Å |
| 668 | S | 88.4 | Confident | 88.4 | Confident | 63 Ų | 63 | 45.4 Ų | 45.4 | 44% | 0.441 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.9 | -42.3 | 173.1 | 178.7 | 0 | 0 | 0 | 0 | 111.9 | T664 Q665 I666 I670 K671 E672 | T664-S668 PolarHBondContact O-N 3.02Å; Q665-S668 PolarHBondContact O-N 3.41Å; I666-S668 PolarHBondContact O-N 2.74Å; S668-I670 VanDerWaalsContact C-N 3.29Å; S668-I670 PolarHBondContact O-N 2.89Å; S668-K671 PolarHBondContact O-N 2.91Å; S668-E672 PolarHBondContact O-N 2.77Å |
| 669 | C | 95.4 | Very high | 89.6 | Confident | 44 Ų | 44 | 41.6 Ų | 41.6 | 30% | 0.297 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64.6 | -29.5 | 175.8 | -66.8 | 0 | 0 | 0 | 0 | 113.8 | L617 Q665 I666 G667 A673 | L617-C669 HydrophobicContact CD1-CB 4.15Å; L617-C669 WeakPolarHBondContact CD1-O 3.38Å; L617-C669 HydrophobicContact CD2-CB 3.66Å; Q665-C669 PolarHBondContact O-N 2.75Å; Q665-C669 VanDerWaalsContact O-N 3.16Å; Q665-C669 PolarHBondContact O-SG 3.01Å; I666-C669 WeakPolarHBondContact O-CA 3.35Å; I666-C669 WeakPolarHBondContact O-CB 3.49Å; I666-C669 PolarHBondContact O-N 2.92Å; I666-C669 VanDerWaalsContact O-N 3.08Å; G667-C669 VanDerWaalsContact C-N 3.33Å; G667-C669 PolarHBondContact O-N 3.2Å; C669-A673 PolarHBondContact O-N 3.07Å |
| 670 | I | 96.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -73.1 | -47.5 | 173.9 | -63.8 | 162.9 | 0 | 0 | 0 | 109.6 | F483 L487 L614 L617 I621 I666 G667 S668 E672 A673 F674 | F483-I670 HydrophobicContact CB-CB 4.38Å; F483-I670 HydrophobicContact CB-CG2 4.35Å; F483-I670 HydrophobicContact CD1-CG2 4Å; F483-I670 WeakPolarHBondContact O-CD1 3.49Å; L487-I670 HydrophobicContact CB-CD1 3.68Å; L487-I670 HydrophobicContact CD2-CD1 3.58Å; L487-I670 HydrophobicContact CD2-CG1 3.76Å; L487-I670 HydrophobicContact CG-CD1 4.28Å; L614-I670 HydrophobicContact CD2-CG2 3.93Å; L617-I670 HydrophobicContact CB-CG1 4.23Å; L617-I670 HydrophobicContact CD1-CB 4.49Å; L617-I670 HydrophobicContact CD1-CG1 3.81Å; I621-I670 HydrophobicContact CD1-CD1 4.35Å; I666-I670 HydrophobicContact CG2-CD1 3.92Å; I666-I670 HydrophobicContact CG2-CG1 4.42Å; I666-I670 WeakPolarHBondContact O-CG1 3.16Å; I666-I670 PolarHBondContact O-N 2.89Å; G667-I670 WeakPolarHBondContact O-CB 3.35Å; G667-I670 PolarHBondContact O-N 2.89Å; G667-I670 VanDerWaalsContact O-N 3.16Å; S668-I670 VanDerWaalsContact C-N 3.29Å; S668-I670 PolarHBondContact O-N 2.89Å; I670-E672 PolarHBondContact O-N 2.75Å; I670-A673 WeakPolarHBondContact O-CB 3.32Å; I670-A673 PolarHBondContact O-N 3.23Å; I670-A673 VanDerWaalsContact O-N 3.11Å; I670-F674 HydrophobicContact CG2-CD2 4.09Å; I670-F674 HydrophobicContact CG2-CE2 3.7Å; I670-F674 VanDerWaalsContact O-CD2 3.25Å; I670-F674 WeakPolarHBondContact O-CD2 3.21Å; I670-F674 PolarHBondContact O-N 3.38Å |
| 671 | K | 93.1 | Very high | 91.8 | Very high | 29 Ų | 29 | 39.5 Ų | 39.5 | 13% | 0.126 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.2 | -45.8 | 177.9 | -179.4 | 170.5 | 179.9 | 160.5 | 0 | 112.5 | A475 S476 S478 F483 G667 S668 A673 F674 L675 | A475-K671 WeakPolarHBondContact O-CE 3.41Å; A475-K671 PolarHBondContact O-NZ 3.11Å; S476-K671 VanDerWaalsContact CA-NZ 3.33Å; S476-K671 PolarHBondContact O-NZ 2.76Å; S478-K671 PolarHBondContact OG-NZ 3.37Å; F483-K671 HydrophobicContact CD1-CB 4.11Å; F483-K671 HydrophobicContact CD2-CB 4.15Å; F483-K671 HydrophobicContact CD2-CD 4.19Å; F483-K671 HydrophobicContact CD2-CG 4.41Å; F483-K671 HydrophobicContact CE1-CB 4.24Å; F483-K671 HydrophobicContact CE1-CG 4.44Å; F483-K671 HydrophobicContact CE2-CB 4.29Å; F483-K671 HydrophobicContact CE2-CD 3.91Å; F483-K671 HydrophobicContact CE2-CG 4.1Å; F483-K671 HydrophobicContact CG-CB 4.06Å; F483-K671 HydrophobicContact CZ-CB 4.32Å; F483-K671 HydrophobicContact CZ-CD 4.38Å; F483-K671 HydrophobicContact CZ-CG 4.1Å; G667-K671 PolarHBondContact O-N 3.3Å; S668-K671 PolarHBondContact O-N 2.91Å; K671-A673 VanDerWaalsContact C-N 3.28Å; K671-A673 PolarHBondContact O-N 2.8Å; K671-F674 PolarHBondContact O-N 3.16Å; K671-L675 PolarHBondContact O-N 2.9Å |
| 672 | E | 93.7 | Very high | 92.8 | Very high | 62 Ų | 62 | 31.5 Ų | 31.5 | 29% | 0.29 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -60.9 | -36 | 175 | -178.9 | 60.1 | -146.8 | 0 | 0 | 112 | S668 I670 F674 L675 Q676 R751 | S668-E672 PolarHBondContact O-N 2.77Å; I670-E672 PolarHBondContact O-N 2.75Å; E672-F674 VanDerWaalsContact C-N 3.31Å; E672-F674 PolarHBondContact O-N 2.92Å; E672-L675 PolarHBondContact O-N 3.16Å; E672-Q676 HydrophobicContact CG-CG 4.49Å; E672-Q676 WeakPolarHBondContact O-CG 3.27Å; E672-Q676 PolarHBondContact O-N 3.3Å; E672-Q676 PolarHBondContact OE1-NE2 2.72Å; E672-R751 IonicContact OE1-CZ 3.48Å; E672-R751 IonicContact OE1-NE 3.45Å; E672-R751 IonicContact OE1-NH2 2.64Å; E672-R751 PolarHBondContact OE1-NH2 3.48Å; E672-R751 IonicContact OE2-NH2 2.74Å |
| 673 | A | 96.9 | Very high | 93.4 | Very high | 11 Ų | 11 | 28.9 Ų | 28.9 | 9% | 0.091 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.8 | -36.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L610 R613 C669 I670 K671 F677 | L610-A673 HydrophobicContact CD1-CB 4.06Å; R613-A673 HydrophobicContact CB-CB 4.45Å; R613-A673 HydrophobicContact CG-CB 3.87Å; C669-A673 PolarHBondContact O-N 3.07Å; I670-A673 WeakPolarHBondContact O-CB 3.32Å; I670-A673 PolarHBondContact O-N 3.23Å; I670-A673 VanDerWaalsContact O-N 3.11Å; K671-A673 VanDerWaalsContact C-N 3.28Å; K671-A673 PolarHBondContact O-N 2.8Å; A673-F677 PolarHBondContact O-N 2.7Å; A673-F677 VanDerWaalsContact O-N 3.12Å |
| 674 | F | 97.1 | Very high | 93.8 | Very high | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.018 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -72.9 | -39.5 | 173.1 | -70.7 | -70.2 | 0 | 0 | 0 | 112.7 | F483 I495 L499 M528 L610 L614 I670 K671 E672 Q676 F677 M678 | F483-F674 HydrophobicContact CD1-CD2 4.43Å; F483-F674 HydrophobicContact CE1-CD2 4.14Å; I495-F674 HydrophobicContact CG2-CE1 4.28Å; I495-F674 HydrophobicContact CG2-CE2 4.4Å; I495-F674 HydrophobicContact CG2-CZ 3.58Å; L499-F674 HydrophobicContact CD2-CD1 4.16Å; L499-F674 HydrophobicContact CD2-CE1 4.2Å; M528-F674 HydrophobicContact CG-CB 4.03Å; M528-F674 HydrophobicContact CG-CD1 3.47Å; M528-F674 VanDerWaalsContact CG-CD1 3.47Å; M528-F674 HydrophobicContact CG-CD2 3.85Å; M528-F674 HydrophobicContact CG-CE1 3.81Å; M528-F674 HydrophobicContact CG-CE2 4.16Å; M528-F674 HydrophobicContact CG-CG 3.5Å; M528-F674 HydrophobicContact CG-CZ 4.16Å; M528-F674 HydrophobicContact SD-CD1 3.83Å; M528-F674 HydrophobicContact SD-CD2 4.3Å; M528-F674 HydrophobicContact SD-CE1 3.48Å; M528-F674 WeakPolarHBondContact SD-CE1 3.07Å; M528-F674 HydrophobicContact SD-CE2 3.98Å; M528-F674 HydrophobicContact SD-CG 4.24Å; M528-F674 HydrophobicContact SD-CZ 3.58Å; M528-F674 VanDerWaalsContact SD-CZ 3.58Å; L610-F674 HydrophobicContact CD1-CD1 3.89Å; L610-F674 HydrophobicContact CD1-CE1 3.9Å; L610-F674 HydrophobicContact CD1-CG 4.38Å; L610-F674 HydrophobicContact CD1-CZ 4.39Å; L610-F674 HydrophobicContact CD2-CD1 4.08Å; L610-F674 HydrophobicContact CD2-CE1 3.88Å; L610-F674 HydrophobicContact CG-CE1 4.38Å; L614-F674 HydrophobicContact CD1-CE1 4.14Å; L614-F674 HydrophobicContact CD1-CE2 4.39Å; L614-F674 HydrophobicContact CD1-CZ 3.64Å; L614-F674 HydrophobicContact CD2-CE2 3.87Å; L614-F674 HydrophobicContact CD2-CZ 3.97Å; L614-F674 HydrophobicContact CG-CZ 4.42Å; I670-F674 HydrophobicContact CG2-CD2 4.09Å; I670-F674 HydrophobicContact CG2-CE2 3.7Å; I670-F674 VanDerWaalsContact O-CD2 3.25Å; I670-F674 WeakPolarHBondContact O-CD2 3.21Å; I670-F674 PolarHBondContact O-N 3.38Å; K671-F674 PolarHBondContact O-N 3.16Å; E672-F674 VanDerWaalsContact C-N 3.31Å; E672-F674 PolarHBondContact O-N 2.92Å; F674-Q676 VanDerWaalsContact C-N 3.33Å; F674-Q676 PolarHBondContact O-N 3.07Å; F674-F677 WeakPolarHBondContact O-CB 3.48Å; F674-F677 PolarHBondContact O-N 3.18Å; F674-F677 VanDerWaalsContact O-N 3.16Å; F674-M678 WeakPolarHBondContact O-CG 3.33Å; F674-M678 PolarHBondContact O-N 2.87Å |
| 675 | L | 95 | Very high | 94.5 | Very high | 17 Ų | 17 | 27.2 Ų | 27.2 | 9% | 0.089 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -55.9 | -48.6 | 171 | 176.2 | 63.7 | 0 | 0 | 0 | 110.8 | F530 K671 E672 F677 M678 V679 Y747 F748 R751 | F530-L675 HydrophobicContact CD1-CD1 3.68Å; F530-L675 HydrophobicContact CE1-CD1 3.82Å; K671-L675 PolarHBondContact O-N 2.9Å; E672-L675 PolarHBondContact O-N 3.16Å; L675-F677 VanDerWaalsContact C-N 3.3Å; L675-F677 PolarHBondContact O-N 3.44Å; L675-M678 PolarHBondContact O-N 2.94Å; L675-V679 HydrophobicContact CD1-CG2 4.07Å; L675-V679 HydrophobicContact CG-CG2 4.32Å; L675-V679 WeakPolarHBondContact O-CB 3.26Å; L675-V679 WeakPolarHBondContact O-CG2 3.23Å; L675-V679 PolarHBondContact O-N 2.88Å; L675-Y747 HydrophobicContact CD2-CE1 3.82Å; L675-Y747 WeakPolarHBondContact CD2-OH 3.25Å; L675-F748 HydrophobicContact CD1-CD2 3.99Å; L675-F748 HydrophobicContact CD1-CE2 4.4Å; L675-R751 HydrophobicContact CD2-CG 4.26Å |
| 676 | Q | 95.8 | Very high | 94.7 | Very high | 59 Ų | 59 | 25.6 Ų | 25.6 | 28% | 0.276 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -59.1 | -39.3 | 176.5 | -72.2 | -56.9 | -45 | 0 | 0 | 112.8 | E672 F674 H680 | E672-Q676 HydrophobicContact CG-CG 4.49Å; E672-Q676 WeakPolarHBondContact O-CG 3.27Å; E672-Q676 PolarHBondContact O-N 3.3Å; E672-Q676 PolarHBondContact OE1-NE2 2.72Å; F674-Q676 VanDerWaalsContact C-N 3.33Å; F674-Q676 PolarHBondContact O-N 3.07Å; Q676-H680 PolarHBondContact O-N 2.67Å; Q676-H680 VanDerWaalsContact O-N 3.15Å; Q676-H680 PolarHBondContact O-ND1 3.36Å |
| 677 | F | 97.6 | Very high | 94.6 | Very high | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.018 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.9 | -47.1 | 174.6 | 178.7 | -93.2 | 0 | 0 | 0 | 111.9 | L499 L602 P606 L607 L610 A673 F674 L675 V679 H680 L681 | L499-F677 HydrophobicContact CD2-CD1 3.89Å; L499-F677 HydrophobicContact CD2-CE1 3.79Å; L602-F677 HydrophobicContact CB-CZ 4.39Å; L602-F677 HydrophobicContact CD1-CZ 3.96Å; L602-F677 HydrophobicContact CD2-CZ 4.24Å; L602-F677 HydrophobicContact CG-CZ 4.44Å; P606-F677 HydrophobicContact CB-CD2 3.71Å; P606-F677 HydrophobicContact CB-CE2 3.86Å; L607-F677 HydrophobicContact CB-CE2 4.45Å; L610-F677 HydrophobicContact CB-CB 4.46Å; L610-F677 HydrophobicContact CB-CD2 4.12Å; L610-F677 HydrophobicContact CD1-CB 4.41Å; L610-F677 HydrophobicContact CD2-CB 4.03Å; L610-F677 HydrophobicContact CD2-CD1 4.36Å; L610-F677 HydrophobicContact CD2-CD2 3.8Å; L610-F677 HydrophobicContact CD2-CE2 4.4Å; L610-F677 HydrophobicContact CD2-CG 3.79Å; A673-F677 PolarHBondContact O-N 2.7Å; A673-F677 VanDerWaalsContact O-N 3.12Å; F674-F677 WeakPolarHBondContact O-CB 3.48Å; F674-F677 PolarHBondContact O-N 3.18Å; F674-F677 VanDerWaalsContact O-N 3.16Å; L675-F677 VanDerWaalsContact C-N 3.3Å; L675-F677 PolarHBondContact O-N 3.44Å; F677-V679 PolarHBondContact O-N 2.68Å; F677-H680 PolarHBondContact O-N 2.73Å; F677-L681 HydrophobicContact CE1-CB 4.4Å; F677-L681 HydrophobicContact CE1-CD1 4.24Å; F677-L681 HydrophobicContact CE1-CD2 4.09Å; F677-L681 HydrophobicContact CE1-CG 4.49Å; F677-L681 HydrophobicContact CZ-CD1 4.18Å; F677-L681 WeakPolarHBondContact O-CB 3.3Å; F677-L681 PolarHBondContact O-N 2.82Å |
| 678 | M | 97.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.3 | -36.4 | -179.9 | -70.1 | -59.8 | -59.6 | 0 | 0 | 112.7 | L503 F530 L532 F674 L675 L681 L682 F748 | L503-M678 HydrophobicContact CD1-SD 4.23Å; L503-M678 HydrophobicContact CD2-CE 3.85Å; L503-M678 HydrophobicContact CD2-SD 4.08Å; F530-M678 WeakPolarHBondContact O-CB 3.37Å; F530-M678 VanDerWaalsContact O-CG 3.29Å; F530-M678 WeakPolarHBondContact O-CG 3.17Å; L532-M678 HydrophobicContact CD1-CE 4.33Å; L532-M678 HydrophobicContact CG-CE 4.41Å; F674-M678 WeakPolarHBondContact O-CG 3.33Å; F674-M678 PolarHBondContact O-N 2.87Å; L675-M678 PolarHBondContact O-N 2.94Å; M678-L681 HydrophobicContact CE-CD2 4.01Å; M678-L681 PolarHBondContact O-N 3.11Å; M678-L681 HydrophobicContact SD-CD2 3.75Å; M678-L682 HydrophobicContact CE-CD1 3.99Å; M678-L682 HydrophobicContact CE-CG 4.42Å; M678-L682 PolarHBondContact O-N 3.11Å; M678-F748 HydrophobicContact CB-CE2 4.38Å |
| 679 | V | 97 | Very high | 94.6 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.3 | -48.4 | 170.5 | 169.3 | 0 | 0 | 0 | 0 | 110.2 | L675 F677 K683 F748 R751 I752 L755 | L675-V679 HydrophobicContact CD1-CG2 4.07Å; L675-V679 HydrophobicContact CG-CG2 4.32Å; L675-V679 WeakPolarHBondContact O-CB 3.26Å; L675-V679 WeakPolarHBondContact O-CG2 3.23Å; L675-V679 PolarHBondContact O-N 2.88Å; F677-V679 PolarHBondContact O-N 2.68Å; V679-K683 WeakPolarHBondContact O-CA 3.31Å; V679-K683 VanDerWaalsContact O-CB 3.3Å; V679-K683 WeakPolarHBondContact O-CB 3.4Å; V679-K683 PolarHBondContact O-N 3.23Å; V679-F748 HydrophobicContact CB-CE2 4.23Å; V679-F748 HydrophobicContact CG2-CD2 3.9Å; V679-F748 HydrophobicContact CG2-CE2 3.46Å; V679-F748 VanDerWaalsContact CG2-CE2 3.46Å; V679-F748 HydrophobicContact CG2-CZ 4.22Å; V679-R751 HydrophobicContact CG1-CB 4.37Å; V679-R751 HydrophobicContact CG2-CB 3.6Å; V679-R751 HydrophobicContact CG2-CG 4.49Å; V679-I752 HydrophobicContact CG1-CB 4.49Å; V679-I752 HydrophobicContact CG1-CG1 3.87Å; V679-L755 HydrophobicContact CG1-CB 4.12Å; V679-L755 HydrophobicContact CG1-CD2 3.82Å |
| 680 | H | 95.7 | Very high | 93.8 | Very high | 30 Ų | 30 | 30.3 Ų | 30.3 | 14% | 0.139 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.3 | -36.4 | 175.6 | -77.1 | 79.8 | 0 | 0 | 0 | 113.4 | P606 Q676 F677 L682 L755 | P606-H680 HydrophobicContact CB-CB 3.89Å; P606-H680 HydrophobicContact CG-CB 3.56Å; Q676-H680 PolarHBondContact O-N 2.67Å; Q676-H680 VanDerWaalsContact O-N 3.15Å; Q676-H680 PolarHBondContact O-ND1 3.36Å; F677-H680 PolarHBondContact O-N 2.73Å; H680-L682 VanDerWaalsContact C-N 3.35Å; H680-L755 HydrophobicContact CB-CD2 4.45Å; H680-L755 VanDerWaalsContact CE1-CD1 3.5Å; H680-L755 WeakPolarHBondContact CE1-CD1 3.44Å |
| 681 | L | 95.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.7 | -35.9 | -177.8 | -171.7 | 73.7 | 0 | 0 | 0 | 112.1 | L503 P603 F677 M678 F718 Y719 | L503-L681 HydrophobicContact CD1-CD2 3.86Å; P603-L681 HydrophobicContact CG-CD1 3.86Å; F677-L681 HydrophobicContact CE1-CB 4.4Å; F677-L681 HydrophobicContact CE1-CD1 4.24Å; F677-L681 HydrophobicContact CE1-CD2 4.09Å; F677-L681 HydrophobicContact CE1-CG 4.49Å; F677-L681 HydrophobicContact CZ-CD1 4.18Å; F677-L681 WeakPolarHBondContact O-CB 3.3Å; F677-L681 PolarHBondContact O-N 2.82Å; M678-L681 HydrophobicContact CE-CD2 4.01Å; M678-L681 PolarHBondContact O-N 3.11Å; M678-L681 HydrophobicContact SD-CD2 3.75Å; L681-F718 HydrophobicContact CD1-CE1 3.96Å; L681-F718 HydrophobicContact CD1-CZ 4.42Å; L681-F718 HydrophobicContact CD2-CE1 4.49Å; L681-F718 HydrophobicContact CD2-CZ 4.3Å; L681-Y719 HydrophobicContact CD1-CE1 4.36Å; L681-Y719 HydrophobicContact CG-CE1 4.46Å; L681-Y719 PolarHBondContact O-OH 2.73Å |
| 682 | L | 95.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -109.4 | -4.7 | -173.4 | -59.5 | -179.3 | 0 | 0 | 0 | 114.2 | P531 M678 H680 D684 Y685 L722 W728 F748 | P531-L682 HydrophobicContact CG-CD1 3.81Å; M678-L682 HydrophobicContact CE-CD1 3.99Å; M678-L682 HydrophobicContact CE-CG 4.42Å; M678-L682 PolarHBondContact O-N 3.11Å; H680-L682 VanDerWaalsContact C-N 3.35Å; L682-D684 PolarHBondContact O-N 3.02Å; L682-Y685 VanDerWaalsContact O-CB 3.3Å; L682-Y685 WeakPolarHBondContact O-CB 3.38Å; L682-Y685 WeakPolarHBondContact O-CD1 3.45Å; L682-Y685 PolarHBondContact O-N 2.85Å; L682-L722 HydrophobicContact CD2-CD2 4.32Å; L682-W728 HydrophobicContact CD1-CZ3 4.49Å; L682-W728 HydrophobicContact CD2-CZ3 3.95Å; L682-F748 HydrophobicContact CB-CE1 4.35Å; L682-F748 HydrophobicContact CB-CZ 4.14Å; L682-F748 HydrophobicContact CD1-CE1 4.47Å; L682-F748 HydrophobicContact CD1-CZ 4.23Å |
| 683 | K | 94.7 | Very high | 89 | Confident | 43 Ų | 43 | 44.3 Ų | 44.3 | 19% | 0.187 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.3 | -37.9 | -166.1 | 74.5 | -174.8 | -163.6 | 179.6 | 0 | 115.7 | V679 I752 L755 L756 E759 | V679-K683 WeakPolarHBondContact O-CA 3.31Å; V679-K683 VanDerWaalsContact O-CB 3.3Å; V679-K683 WeakPolarHBondContact O-CB 3.4Å; V679-K683 PolarHBondContact O-N 3.23Å; K683-I752 HydrophobicContact CB-CG1 4.44Å; K683-I752 HydrophobicContact CB-CG2 4.07Å; K683-L755 HydrophobicContact CD-CD2 4.31Å; K683-L756 HydrophobicContact CD-CD2 4.35Å; K683-E759 IonicContact NZ-OE2 2.77Å; K683-E759 PolarHBondContact NZ-OE2 3.22Å |
| 684 | D | 93.6 | Very high | 86.8 | Confident | 47 Ų | 47 | 50.7 Ų | 50.7 | 25% | 0.251 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -0.3 | -174.6 | -57.3 | -61.9 | 0 | 0 | 0 | 113.9 | L682 R686 L687 F706 C710 | L682-D684 PolarHBondContact O-N 3.02Å; D684-R686 VanDerWaalsContact C-N 3.27Å; D684-R686 PolarHBondContact O-N 3.22Å; D684-L687 HydrophobicContact CB-CD1 4.2Å; D684-L687 VanDerWaalsContact O-CB 3.3Å; D684-L687 WeakPolarHBondContact O-CB 3.25Å; D684-L687 WeakPolarHBondContact O-CG 3.37Å; D684-L687 PolarHBondContact O-N 3.29Å; D684-F706 HydrophobicContact CB-CE2 4.1Å; D684-C710 HydrophobicContact CB-CB 4.06Å |
| 685 | Y | 94.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -56.9 | -36.4 | -174.6 | 84.8 | -75 | 0 | 0 | 0 | 114 | L682 L687 C688 L689 F731 R735 F748 D749 I752 | L682-Y685 VanDerWaalsContact O-CB 3.3Å; L682-Y685 WeakPolarHBondContact O-CB 3.38Å; L682-Y685 WeakPolarHBondContact O-CD1 3.45Å; L682-Y685 PolarHBondContact O-N 2.85Å; Y685-L687 PolarHBondContact O-N 3.11Å; Y685-L687 VanDerWaalsContact O-N 3.14Å; Y685-C688 PolarHBondContact O-N 2.59Å; Y685-L689 HydrophobicContact CD2-CD1 4.11Å; Y685-L689 HydrophobicContact CD2-CG 4.37Å; Y685-L689 HydrophobicContact CE2-CD1 3.87Å; Y685-L689 PolarHBondContact O-N 3.03Å; Y685-F731 AromaticContact CD2-CE1 3.7Å; Y685-F731 HydrophobicContact CD2-CE1 3.7Å; Y685-F731 HydrophobicContact CD2-CZ 4.02Å; Y685-F731 HydrophobicContact CE1-CZ 4.46Å; Y685-F731 AromaticContact CE2-CE1 3.7Å; Y685-F731 HydrophobicContact CE2-CE1 3.7Å; Y685-F731 AromaticContact CE2-CZ 3.6Å; Y685-F731 HydrophobicContact CE2-CZ 3.6Å; Y685-F731 HydrophobicContact CG-CE1 4.39Å; Y685-F731 AromaticContact CZ-CZ 3.84Å; Y685-R735 HydrophobicContact CE2-CG 4.07Å; Y685-R735 PolarHBondContact OH-NE 2.98Å; Y685-R735 PolarHBondContact OH-NH1 3.43Å; Y685-F748 HydrophobicContact CE1-CE1 4.47Å; Y685-D749 PolarHBondContact OH-OD1 3.03Å; Y685-I752 HydrophobicContact CD1-CD1 4.17Å; Y685-I752 HydrophobicContact CE1-CD1 3.74Å |
| 686 | R | 91.6 | Very high | 82.3 | Confident | 98 Ų | 98 | 58.1 Ų | 58.1 | 37% | 0.37 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -56.7 | -26.4 | 177.1 | -80 | 160.8 | 153.7 | -151.3 | -8.8 | 112.9 | D684 C688 D749 E753 | D684-R686 VanDerWaalsContact C-N 3.27Å; D684-R686 PolarHBondContact O-N 3.22Å; R686-C688 PolarHBondContact O-N 3.35Å; R686-D749 VanDerWaalsContact CZ-CG 3.42Å; R686-D749 IonicContact CZ-OD1 2.82Å; R686-D749 IonicContact CZ-OD2 3.53Å; R686-D749 VanDerWaalsContact CZ-OD2 3.27Å; R686-D749 VanDerWaalsContact NE-CG 3.29Å; R686-D749 IonicContact NE-OD1 3.74Å; R686-D749 PolarHBondContact NE-OD1 3.01Å; R686-D749 IonicContact NE-OD2 3.8Å; R686-D749 PolarHBondContact NE-OD2 3.1Å; R686-D749 VanDerWaalsContact NE-OD2 3.12Å; R686-D749 VanDerWaalsContact NH2-CB 3.31Å; R686-D749 IonicContact NH2-OD1 3.06Å; R686-D749 IonicContact NH2-OD2 2.74Å; R686-D749 PolarHBondContact NH2-OD2 3.01Å; R686-E753 IonicContact CZ-OE1 3.29Å; R686-E753 IonicContact NH1-OE1 3.34Å; R686-E753 PolarHBondContact NH1-OE1 3.2Å; R686-E753 IonicContact NH2-OE1 2.68Å; R686-E753 PolarHBondContact NH2-OE1 2.95Å |
| 687 | L | 89.7 | Confident | 80.2 | Confident | 115 Ų | 115 | 59.5 Ų | 59.5 | 60% | 0.602 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -72.7 | -13.9 | 178.1 | -56.4 | 178.9 | 0 | 0 | 0 | 113.4 | D684 Y685 | D684-L687 HydrophobicContact CB-CD1 4.2Å; D684-L687 VanDerWaalsContact O-CB 3.3Å; D684-L687 WeakPolarHBondContact O-CB 3.25Å; D684-L687 WeakPolarHBondContact O-CG 3.37Å; D684-L687 PolarHBondContact O-N 3.29Å; Y685-L687 PolarHBondContact O-N 3.11Å; Y685-L687 VanDerWaalsContact O-N 3.14Å |
| 688 | C | 91 | Very high | 78.6 | Confident | 4 Ų | 4 | 65.8 Ų | 65.8 | 3% | 0.027 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -123.3 | 8.1 | -173.1 | -53.9 | 0 | 0 | 0 | 0 | 113.1 | Y685 R686 F701 N702 H705 F706 | Y685-C688 PolarHBondContact O-N 2.59Å; R686-C688 PolarHBondContact O-N 3.35Å; C688-F701 HydrophobicContact CB-CD2 3.99Å; C688-F701 HydrophobicContact CB-CE2 3.49Å; C688-F701 VanDerWaalsContact CB-CE2 3.49Å; C688-F701 HydrophobicContact CB-CZ 3.86Å; C688-F701 CarbonylContact O-C 3.59Å; C688-F701 WeakPolarHBondContact O-CA 3.38Å; C688-F701 WeakPolarHBondContact O-CD2 3.3Å; C688-N702 HydrophobicContact CB-CB 4.45Å; C688-N702 PolarHBondContact O-N 3.32Å; C688-H705 PolarHBondContact SG-ND1 2.83Å; C688-F706 HydrophobicContact CB-CB 4.31Å |
| 689 | L | 88.9 | Confident | 77.4 | Confident | 48 Ų | 48 | 69.1 Ų | 69.1 | 25% | 0.251 | 35% | 0.352 | S | S | . | . | B | Isolated β-bridge | trans | -76.8 | 130.3 | 168.7 | -71.9 | 171.8 | 0 | 0 | 0 | 109.9 | Y685 F701 V732 R735 I736 | Y685-L689 HydrophobicContact CD2-CD1 4.11Å; Y685-L689 HydrophobicContact CD2-CG 4.37Å; Y685-L689 HydrophobicContact CE2-CD1 3.87Å; Y685-L689 PolarHBondContact O-N 3.03Å; L689-F701 HydrophobicContact CD2-CD2 4.15Å; L689-V732 HydrophobicContact CD2-CG1 4.14Å; L689-R735 HydrophobicContact CD1-CB 4.5Å; L689-I736 HydrophobicContact CD2-CD1 4.18Å; L689-I736 HydrophobicContact CD2-CG1 4.38Å |
| 690 | E | 78.8 | Confident | 76.8 | Confident | 61 Ų | 61 | 71.3 Ų | 71.3 | 29% | 0.285 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -93.3 | 140.4 | 178.2 | -63.3 | -164.4 | -174.3 | 0 | 0 | 111.6 | M700 N702 | E690-M700 PolarHBondContact N-O 2.85Å; E690-M700 VanDerWaalsContact N-O 3.14Å; E690-N702 HydrophobicContact CG-CB 4.46Å; E690-N702 WeakPolarHBondContact OE1-CB 3.38Å; E690-N702 PolarHBondContact OE1-ND2 3.11Å |
| 691 | S | 64.8 | Low | 76.5 | Confident | 73 Ų | 73 | 70.5 Ų | 70.5 | 51% | 0.51 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -82.4 | 120.6 | -178.7 | -179.1 | 0 | 0 | 0 | 0 | 111 | R693 N694 | S691-R693 PolarHBondContact O-N 3.35Å; S691-N694 PolarHBondContact O-N 3.26Å |
| 692 | V | 63.6 | Low | 76.3 | Confident | 76 Ų | 76 | 73.2 Ų | 73.2 | 46% | 0.461 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | -20.8 | 179.1 | -174.4 | 0 | 0 | 0 | 0 | 113.7 | N694 M700 I736 | V692-N694 VanDerWaalsContact C-N 3.3Å; V692-N694 PolarHBondContact O-N 2.7Å; V692-M700 HydrophobicContact CG2-CE 4.32Å; V692-M700 HydrophobicContact CG2-SD 4.46Å; V692-I736 HydrophobicContact CG2-CG2 3.31Å |
| 693 | R | 53.9 | Low | 76.2 | Confident | 237 Ų | 237 | 75.6 Ų | 75.6 | 89% | 0.894 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -15.8 | 177.6 | -61.7 | -171.6 | -177.5 | -168.2 | 0.9 | 114.3 | S691 | S691-R693 PolarHBondContact O-N 3.35Š|
| 694 | N | 51.8 | Low | 76.1 | Confident | 144 Ų | 144 | 78.4 Ų | 78.4 | 77% | 0.77 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.4 | -16.9 | -170.9 | -70.9 | 11.9 | 0 | 0 | 0 | 114.5 | S691 V692 | S691-N694 PolarHBondContact O-N 3.26Å; V692-N694 VanDerWaalsContact C-N 3.3Å; V692-N694 PolarHBondContact O-N 2.7Å |
| 695 | S | 44.4 | Very low | 76 | Confident | 39 Ų | 39 | 79.4 Ų | 79.4 | 27% | 0.273 | 40% | 0.402 | S | S | . | . | trans | -90.6 | 123.1 | -170.7 | 54.1 | 0 | 0 | 0 | 0 | 113 | T697 | S695-T697 PolarHBondContact O-N 2.77Š| ||
| 696 | Q | 51.8 | Low | 76 | Confident | 139 Ų | 139 | 79.5 Ų | 79.5 | 65% | 0.65 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -87.5 | 19 | 162.9 | -64 | -168.2 | 0.6 | 0 | 0 | 112.2 | R1633 | Q696-R1633 VanDerWaalsContact OE1-NE 3.09Š|
| 697 | T | 53 | Low | 76.1 | Confident | 87 Ų | 87 | 75.2 Ų | 75.2 | 53% | 0.534 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -140.8 | 141 | -164.2 | 41.4 | 0 | 0 | 0 | 0 | 110.4 | S695 V699 | S695-T697 PolarHBondContact O-N 2.77Å; T697-V699 PolarHBondContact O-N 2.79Å |
| 698 | D | 64 | Low | 76.3 | Confident | 137 Ų | 137 | 78.1 Ų | 78.1 | 73% | 0.733 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -66 | 9.6 | -178 | -117.9 | 30.8 | 0 | 0 | 0 | 114.8 | R1646 | D698-R1646 IonicContact OD2-NH1 3.26Å; D698-R1646 PolarHBondContact OD2-NH1 2.8Å |
| 699 | V | 72.2 | Confident | 76.2 | Confident | 71 Ų | 71 | 83.3 Ų | 83.3 | 43% | 0.43 | 41% | 0.413 | S | S | . | . | trans | -89.9 | 120.9 | -173.2 | -178.8 | 0 | 0 | 0 | 0 | 109.9 | T697 | T697-V699 PolarHBondContact O-N 2.79Š| ||
| 700 | M | 83.4 | Confident | 76.3 | Confident | 45 Ų | 45 | 82.7 Ų | 82.7 | 22% | 0.222 | 41% | 0.413 | C | S | . | . | trans | -104.9 | -20.5 | -176.4 | -66.6 | -62.9 | -121 | 0 | 0 | 113.8 | E690 V692 V732 I736 Y737 | E690-M700 PolarHBondContact N-O 2.85Å; E690-M700 VanDerWaalsContact N-O 3.14Å; V692-M700 HydrophobicContact CG2-CE 4.32Å; V692-M700 HydrophobicContact CG2-SD 4.46Å; M700-V732 HydrophobicContact CB-CG1 3.68Å; M700-I736 HydrophobicContact CB-CD1 3.71Å; M700-I736 HydrophobicContact CE-CB 4.36Å; M700-I736 HydrophobicContact CE-CD1 4.15Å; M700-I736 HydrophobicContact CE-CG2 3.67Å; M700-I736 HydrophobicContact CG-CD1 4.25Å; M700-I736 HydrophobicContact SD-CD1 3.95Å; M700-I736 HydrophobicContact SD-CG2 4.41Å; M700-Y737 HydrophobicContact CE-CD2 4.34Å; M700-Y737 HydrophobicContact CE-CE2 3.32Å; M700-Y737 WeakPolarHBondContact CE-OH 3.36Å | ||
| 701 | F | 91 | Very high | 76.9 | Confident | 14 Ų | 14 | 80.5 Ų | 80.5 | 6% | 0.061 | 41% | 0.405 | C | S | . | . | B | Isolated β-bridge | trans | -144.6 | 128.4 | -179.4 | 177.1 | -96.8 | 0 | 0 | 0 | 110.4 | C688 L689 I703 F706 F723 W728 V732 | C688-F701 HydrophobicContact CB-CD2 3.99Å; C688-F701 HydrophobicContact CB-CE2 3.49Å; C688-F701 VanDerWaalsContact CB-CE2 3.49Å; C688-F701 HydrophobicContact CB-CZ 3.86Å; C688-F701 CarbonylContact O-C 3.59Å; C688-F701 WeakPolarHBondContact O-CA 3.38Å; C688-F701 WeakPolarHBondContact O-CD2 3.3Å; L689-F701 HydrophobicContact CD2-CD2 4.15Å; F701-I703 HydrophobicContact CD1-CG1 3.79Å; F701-I703 HydrophobicContact CE1-CG1 4.12Å; F701-I703 PolarHBondContact O-N 3.2Å; F701-I703 VanDerWaalsContact O-N 3.11Å; F701-F706 HydrophobicContact CE1-CB 4.31Å; F701-F706 HydrophobicContact CZ-CB 3.97Å; F701-F706 AromaticContact CZ-CD2 3.95Å; F701-F706 HydrophobicContact CZ-CD2 3.95Å; F701-F706 HydrophobicContact CZ-CG 4.1Å; F701-F723 HydrophobicContact CE1-CD1 4.23Å; F701-F723 AromaticContact CE1-CD2 3.93Å; F701-F723 HydrophobicContact CE1-CD2 3.93Å; F701-F723 HydrophobicContact CE1-CE1 4.14Å; F701-F723 AromaticContact CE1-CE2 3.84Å; F701-F723 HydrophobicContact CE1-CE2 3.84Å; F701-F723 HydrophobicContact CE1-CG 4.13Å; F701-F723 AromaticContact CE1-CZ 3.94Å; F701-F723 HydrophobicContact CE1-CZ 3.94Å; F701-F723 HydrophobicContact CZ-CE1 4.27Å; F701-F723 HydrophobicContact CZ-CE2 4.22Å; F701-F723 AromaticContact CZ-CZ 3.97Å; F701-F723 HydrophobicContact CZ-CZ 3.97Å; F701-W728 AromaticContact CD1-CZ2 3.87Å; F701-W728 HydrophobicContact CD1-CZ2 3.87Å; F701-W728 AromaticContact CD1-NE1 3.75Å; F701-W728 AromaticContact CD2-CZ2 3.83Å; F701-W728 HydrophobicContact CD2-CZ2 3.83Å; F701-W728 AromaticContact CE1-CZ2 3.7Å; F701-W728 HydrophobicContact CE1-CZ2 3.7Å; F701-W728 HydrophobicContact CE2-CH2 4.25Å; F701-W728 AromaticContact CE2-CZ2 3.65Å; F701-W728 HydrophobicContact CE2-CZ2 3.65Å; F701-W728 AromaticContact CG-CZ2 3.94Å; F701-W728 HydrophobicContact CG-CZ2 3.94Å; F701-W728 HydrophobicContact CZ-CH2 4.28Å; F701-W728 AromaticContact CZ-CZ2 3.59Å; F701-W728 HydrophobicContact CZ-CZ2 3.59Å; F701-V732 HydrophobicContact CB-CG1 4.02Å; F701-V732 HydrophobicContact CB-CG2 4.07Å; F701-V732 HydrophobicContact CG-CG2 4.38Å |
| 702 | N | 91.3 | Very high | 78.1 | Confident | 58 Ų | 58 | 81.1 Ų | 81.1 | 31% | 0.31 | 40% | 0.403 | S | S | . | . | trans | -85.8 | 84.3 | -174.7 | -158 | -57.8 | 0 | 0 | 0 | 111.6 | C688 E690 E704 H705 F706 | C688-N702 HydrophobicContact CB-CB 4.45Å; C688-N702 PolarHBondContact O-N 3.32Å; E690-N702 HydrophobicContact CG-CB 4.46Å; E690-N702 WeakPolarHBondContact OE1-CB 3.38Å; E690-N702 PolarHBondContact OE1-ND2 3.11Å; N702-E704 PolarHBondContact O-N 3.04Å; N702-H705 HydrophobicContact CB-CB 4Å; N702-H705 PolarHBondContact O-N 3.36Å; N702-H705 VanDerWaalsContact OD1-CB 3.24Å; N702-H705 WeakPolarHBondContact OD1-CB 3.47Å; N702-H705 PolarHBondContact OD1-N 3.36Å; N702-F706 PolarHBondContact O-N 3.35Å | ||
| 703 | I | 92.6 | Very high | 79.4 | Confident | 51 Ų | 51 | 86.7 Ų | 86.7 | 26% | 0.262 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -53.4 | -49.8 | -178.8 | -68.4 | 176.1 | 0 | 0 | 0 | 111.8 | F701 H705 F706 L707 F723 | F701-I703 HydrophobicContact CD1-CG1 3.79Å; F701-I703 HydrophobicContact CE1-CG1 4.12Å; F701-I703 PolarHBondContact O-N 3.2Å; F701-I703 VanDerWaalsContact O-N 3.11Å; I703-H705 VanDerWaalsContact C-N 3.32Å; I703-H705 PolarHBondContact O-N 3.33Å; I703-F706 PolarHBondContact O-N 3.03Å; I703-L707 HydrophobicContact CG2-CD1 3.65Å; I703-L707 HydrophobicContact CG2-CG 4.1Å; I703-L707 WeakPolarHBondContact O-CB 3.37Å; I703-L707 VanDerWaalsContact O-CG 3.31Å; I703-L707 WeakPolarHBondContact O-CG 3.31Å; I703-L707 PolarHBondContact O-N 2.93Å; I703-F723 HydrophobicContact CD1-CB 3.83Å; I703-F723 HydrophobicContact CG1-CB 3.98Å; I703-F723 HydrophobicContact CG1-CD2 4.23Å; I703-F723 HydrophobicContact CG1-CG 4.43Å; I703-F723 HydrophobicContact CG2-CD2 4.18Å |
| 704 | E | 92.5 | Very high | 81.3 | Confident | 102 Ų | 102 | 78.1 Ų | 78.1 | 48% | 0.477 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -70.8 | -26.6 | -174.3 | -58.4 | -60 | 157.4 | 0 | 0 | 112.7 | N702 R708 R720 | N702-E704 PolarHBondContact O-N 3.04Å; E704-R708 VanDerWaalsContact O-CB 3.29Å; E704-R708 WeakPolarHBondContact O-CB 3.31Å; E704-R708 PolarHBondContact O-N 3.11Å; E704-R720 VanDerWaalsContact CD-NH2 3.26Å; E704-R720 IonicContact OE1-CZ 3.78Å; E704-R720 VanDerWaalsContact OE1-CZ 3.23Å; E704-R720 IonicContact OE1-NH1 3.67Å; E704-R720 PolarHBondContact OE1-NH1 3.36Å; E704-R720 IonicContact OE1-NH2 2.95Å; E704-R720 PolarHBondContact OE1-NH2 3.4Å; E704-R720 IonicContact OE2-NH2 3.14Å; E704-R720 PolarHBondContact OE2-NH2 3.41Å |
| 705 | H | 91.4 | Very high | 83.3 | Confident | 69 Ų | 69 | 71.2 Ų | 71.2 | 32% | 0.319 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.7 | -48.7 | 169 | -173.3 | -94.2 | 0 | 0 | 0 | 111.3 | C688 N702 I703 L707 R708 E709 | C688-H705 PolarHBondContact SG-ND1 2.83Å; N702-H705 HydrophobicContact CB-CB 4Å; N702-H705 PolarHBondContact O-N 3.36Å; N702-H705 VanDerWaalsContact OD1-CB 3.24Å; N702-H705 WeakPolarHBondContact OD1-CB 3.47Å; N702-H705 PolarHBondContact OD1-N 3.36Å; I703-H705 VanDerWaalsContact C-N 3.32Å; I703-H705 PolarHBondContact O-N 3.33Å; H705-L707 PolarHBondContact O-N 2.89Å; H705-R708 PolarHBondContact O-N 3.36Å; H705-E709 PolarHBondContact O-N 3.33Å |
| 706 | F | 94.9 | Very high | 85.6 | Confident | 2 Ų | 2 | 71.9 Ų | 71.9 | 1% | 0.009 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.2 | -45.1 | 177.2 | -170.3 | -80 | 0 | 0 | 0 | 111.8 | D684 C688 F701 N702 I703 R708 C710 A711 Y719 F723 | D684-F706 HydrophobicContact CB-CE2 4.1Å; C688-F706 HydrophobicContact CB-CB 4.31Å; F701-F706 HydrophobicContact CE1-CB 4.31Å; F701-F706 HydrophobicContact CZ-CB 3.97Å; F701-F706 AromaticContact CZ-CD2 3.95Å; F701-F706 HydrophobicContact CZ-CD2 3.95Å; F701-F706 HydrophobicContact CZ-CG 4.1Å; N702-F706 PolarHBondContact O-N 3.35Å; I703-F706 PolarHBondContact O-N 3.03Å; F706-R708 PolarHBondContact O-N 3.4Å; F706-C710 HydrophobicContact CD1-CB 4.17Å; F706-C710 HydrophobicContact CD2-CB 3.91Å; F706-C710 HydrophobicContact CE1-CB 4.17Å; F706-C710 HydrophobicContact CE2-CB 3.92Å; F706-C710 HydrophobicContact CG-CB 4.05Å; F706-C710 HydrophobicContact CZ-CB 4.06Å; F706-C710 WeakPolarHBondContact O-CA 3.45Å; F706-C710 WeakPolarHBondContact O-CB 3.47Å; F706-C710 PolarHBondContact O-N 3.16Å; F706-A711 HydrophobicContact CD1-CB 4.44Å; F706-A711 HydrophobicContact CE1-CB 4.42Å; F706-A711 PolarHBondContact O-N 3.42Å; F706-Y719 AromaticContact CE1-CD1 3.71Å; F706-Y719 HydrophobicContact CE1-CD1 3.71Å; F706-Y719 HydrophobicContact CE1-CD2 4.2Å; F706-Y719 AromaticContact CE1-CE1 3.72Å; F706-Y719 HydrophobicContact CE1-CE1 3.72Å; F706-Y719 HydrophobicContact CE1-CE2 4.17Å; F706-Y719 AromaticContact CE1-CG 3.98Å; F706-Y719 HydrophobicContact CE1-CG 3.98Å; F706-Y719 AromaticContact CE1-CZ 3.94Å; F706-Y719 HydrophobicContact CZ-CD1 4.38Å; F706-Y719 AromaticContact CZ-CE1 4Å; F706-Y719 HydrophobicContact CZ-CE1 4Å; F706-F723 HydrophobicContact CB-CE2 4.21Å; F706-F723 AromaticContact CD1-CE2 3.49Å; F706-F723 HydrophobicContact CD1-CE2 3.49Å; F706-F723 VanDerWaalsContact CD1-CE2 3.49Å; F706-F723 AromaticContact CD1-CZ 3.59Å; F706-F723 HydrophobicContact CD1-CZ 3.59Å; F706-F723 HydrophobicContact CD2-CZ 4.37Å; F706-F723 HydrophobicContact CE1-CE2 4.03Å; F706-F723 AromaticContact CE1-CZ 3.71Å; F706-F723 HydrophobicContact CE1-CZ 3.71Å; F706-F723 HydrophobicContact CE2-CZ 4.46Å; F706-F723 AromaticContact CG-CE2 3.9Å; F706-F723 HydrophobicContact CG-CE2 3.9Å; F706-F723 AromaticContact CG-CZ 3.94Å; F706-F723 HydrophobicContact CG-CZ 3.94Å; F706-F723 HydrophobicContact CZ-CZ 4.15Å |
| 707 | L | 94.2 | Very high | 87.6 | Confident | 8 Ų | 8 | 68.8 Ų | 68.8 | 4% | 0.042 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.1 | -20.7 | -179.9 | -68.3 | -179 | 0 | 0 | 0 | 113.7 | I703 H705 A711 I716 R720 | I703-L707 HydrophobicContact CG2-CD1 3.65Å; I703-L707 HydrophobicContact CG2-CG 4.1Å; I703-L707 WeakPolarHBondContact O-CB 3.37Å; I703-L707 VanDerWaalsContact O-CG 3.31Å; I703-L707 WeakPolarHBondContact O-CG 3.31Å; I703-L707 PolarHBondContact O-N 2.93Å; H705-L707 PolarHBondContact O-N 2.89Å; L707-A711 HydrophobicContact CD2-CB 4.37Å; L707-I716 HydrophobicContact CD2-CG1 4.47Å; L707-I716 HydrophobicContact CD2-CG2 4.29Å; L707-R720 HydrophobicContact CD1-CB 4.3Å |
| 708 | R | 92.2 | Very high | 89.5 | Confident | 176 Ų | 176 | 64.6 Ų | 64.6 | 66% | 0.664 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -97.3 | -42.3 | 179.8 | -166.4 | -177.8 | 73.5 | -142.1 | -3.4 | 113.4 | E704 H705 F706 | E704-R708 VanDerWaalsContact O-CB 3.29Å; E704-R708 WeakPolarHBondContact O-CB 3.31Å; E704-R708 PolarHBondContact O-N 3.11Å; H705-R708 PolarHBondContact O-N 3.36Å; F706-R708 PolarHBondContact O-N 3.4Å |
| 709 | E | 90.5 | Very high | 91.1 | Very high | 112 Ų | 112 | 58.7 Ų | 58.7 | 52% | 0.523 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -98.7 | -26.2 | -172.4 | -53.3 | -59.5 | 154.2 | 0 | 0 | 113.5 | H705 | H705-E709 PolarHBondContact O-N 3.33Å |
| 710 | C | 90.2 | Very high | 92.1 | Very high | 35 Ų | 35 | 59.6 Ų | 59.6 | 24% | 0.236 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114 | -31 | -171.5 | -52.4 | 0 | 0 | 0 | 0 | 113.9 | D684 F706 | D684-C710 HydrophobicContact CB-CB 4.06Å; F706-C710 HydrophobicContact CD1-CB 4.17Å; F706-C710 HydrophobicContact CD2-CB 3.91Å; F706-C710 HydrophobicContact CE1-CB 4.17Å; F706-C710 HydrophobicContact CE2-CB 3.92Å; F706-C710 HydrophobicContact CG-CB 4.05Å; F706-C710 HydrophobicContact CZ-CB 4.06Å; F706-C710 WeakPolarHBondContact O-CA 3.45Å; F706-C710 WeakPolarHBondContact O-CB 3.47Å; F706-C710 PolarHBondContact O-N 3.16Å |
| 711 | A | 90.7 | Very high | 92.6 | Very high | 15 Ų | 15 | 58.3 Ų | 58.3 | 12% | 0.124 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -87.3 | 130 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | F706 L707 I716 Y719 | F706-A711 HydrophobicContact CD1-CB 4.44Å; F706-A711 HydrophobicContact CE1-CB 4.42Å; F706-A711 PolarHBondContact O-N 3.42Å; L707-A711 HydrophobicContact CD2-CB 4.37Å; A711-I716 HydrophobicContact CB-CG1 3.97Å; A711-Y719 HydrophobicContact CB-CD2 3.84Å; A711-Y719 HydrophobicContact CB-CE2 4.22Å |
| 712 | D | 90.8 | Very high | 92.8 | Very high | 86 Ų | 86 | 57.6 Ų | 57.6 | 46% | 0.46 | 28% | 0.277 | S | S | . | . | trans | -53.8 | 136.4 | 163.9 | -92.2 | -24.4 | 0 | 0 | 0 | 110.5 | H714 T715 I716 | D712-H714 PolarHBondContact O-N 3.39Å; D712-H714 IonicContact OD2-CE1 2.73Å; D712-H714 PolarHBondContact OD2-CE1 2.9Å; D712-H714 VanDerWaalsContact OD2-CE1 3.31Å; D712-T715 HydrophobicContact CB-CG2 3.75Å; D712-T715 WeakPolarHBondContact CB-OG1 3.43Å; D712-T715 PolarHBondContact N-OG1 2.9Å; D712-T715 PolarHBondContact O-N 2.86Å; D712-T715 PolarHBondContact O-OG1 2.84Å; D712-I716 PolarHBondContact O-N 2.9Å | ||
| 713 | K | 91.2 | Very high | 93 | Very high | 194 Ų | 194 | 55 Ų | 55 | 84% | 0.843 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -27.3 | -179.6 | -70.6 | -173.9 | 178.7 | -179.6 | 0 | 114.9 | ||
| 714 | H | 92.8 | Very high | 93 | Very high | 56 Ų | 56 | 58.9 Ų | 58.9 | 26% | 0.259 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -11 | 177 | 77.5 | -90.4 | 0 | 0 | 0 | 114.2 | L602 K604 D712 | L602-H714 PolarHBondContact O-NE2 2.8Å; K604-H714 VanDerWaalsContact CE-CE1 3.47Å; K604-H714 WeakPolarHBondContact CE-CE1 3.26Å; K604-H714 PolarHBondContact NZ-ND1 2.92Å; D712-H714 PolarHBondContact O-N 3.39Å; D712-H714 IonicContact OD2-CE1 2.73Å; D712-H714 PolarHBondContact OD2-CE1 2.9Å; D712-H714 VanDerWaalsContact OD2-CE1 3.31Å |
| 715 | T | 93.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -15.9 | -179.7 | 66 | 0 | 0 | 0 | 0 | 113.2 | V601 P603 D712 P717 F718 Y719 | V601-T715 WeakPolarHBondContact O-CA 3.3Å; V601-T715 WeakPolarHBondContact O-CB 3.41Å; V601-T715 WeakPolarHBondContact O-CG2 3.33Å; P603-T715 HydrophobicContact CG-CG2 4.2Å; D712-T715 HydrophobicContact CB-CG2 3.75Å; D712-T715 WeakPolarHBondContact CB-OG1 3.43Å; D712-T715 PolarHBondContact N-OG1 2.9Å; D712-T715 PolarHBondContact O-N 2.86Å; D712-T715 PolarHBondContact O-OG1 2.84Å; T715-P717 VanDerWaalsContact C-CD 3.42Å; T715-P717 VanDerWaalsContact C-N 3.34Å; T715-F718 WeakPolarHBondContact O-CA 3.32Å; T715-F718 WeakPolarHBondContact O-CB 3.33Å; T715-F718 PolarHBondContact O-N 3.37Å; T715-Y719 PolarHBondContact O-N 2.88Å; T715-Y719 WeakPolarHBondContact OG1-CD2 3.28Å; T715-Y719 VanDerWaalsContact OG1-CE2 3.3Å; T715-Y719 WeakPolarHBondContact OG1-CE2 3.41Å |
| 716 | I | 94.4 | Very high | 93.2 | Very high | 53 Ų | 53 | 55.5 Ų | 55.5 | 27% | 0.272 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -46.6 | -44.6 | 176.8 | -69.5 | 172.5 | 0 | 0 | 0 | 113.9 | L707 A711 D712 F718 Y719 R720 | L707-I716 HydrophobicContact CD2-CG1 4.47Å; L707-I716 HydrophobicContact CD2-CG2 4.29Å; A711-I716 HydrophobicContact CB-CG1 3.97Å; D712-I716 PolarHBondContact O-N 2.9Å; I716-F718 VanDerWaalsContact C-N 3.29Å; I716-F718 PolarHBondContact O-N 3.34Å; I716-Y719 PolarHBondContact O-N 2.59Å; I716-R720 WeakPolarHBondContact O-CB 3.4Å; I716-R720 PolarHBondContact O-N 2.74Å |
| 717 | P | 92.1 | Very high | 93.1 | Very high | 73 Ų | 73 | 55.5 Ų | 55.5 | 47% | 0.474 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.1 | -34.4 | 178.2 | -22.7 | 34.7 | 0 | 0 | 0 | 113.4 | F597 T715 A721 | F597-P717 HydrophobicContact CE1-CB 4.36Å; T715-P717 VanDerWaalsContact C-CD 3.42Å; T715-P717 VanDerWaalsContact C-N 3.34Å; P717-A721 PolarHBondContact O-N 3.32Å |
| 718 | F | 94.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -74.5 | -45.8 | 176.4 | 160 | -91.7 | 0 | 0 | 0 | 111.7 | L503 T504 V601 L602 L681 T715 I716 R720 A721 L722 | L503-F718 HydrophobicContact CB-CE2 3.98Å; L503-F718 HydrophobicContact CB-CZ 4.18Å; L503-F718 HydrophobicContact CD1-CE2 4.33Å; L503-F718 HydrophobicContact CD1-CZ 4.02Å; T504-F718 HydrophobicContact CG2-CD2 4.09Å; T504-F718 HydrophobicContact CG2-CE2 4.22Å; V601-F718 HydrophobicContact CB-CB 3.96Å; V601-F718 HydrophobicContact CG2-CB 3.6Å; V601-F718 HydrophobicContact CG2-CD2 4.02Å; V601-F718 HydrophobicContact CG2-CG 4.01Å; L602-F718 HydrophobicContact CD2-CD1 4.28Å; L602-F718 HydrophobicContact CD2-CD2 4.09Å; L602-F718 HydrophobicContact CD2-CE1 4.02Å; L602-F718 HydrophobicContact CD2-CE2 3.8Å; L602-F718 HydrophobicContact CD2-CG 4.32Å; L602-F718 HydrophobicContact CD2-CZ 3.77Å; L681-F718 HydrophobicContact CD1-CE1 3.96Å; L681-F718 HydrophobicContact CD1-CZ 4.42Å; L681-F718 HydrophobicContact CD2-CE1 4.49Å; L681-F718 HydrophobicContact CD2-CZ 4.3Å; T715-F718 WeakPolarHBondContact O-CA 3.32Å; T715-F718 WeakPolarHBondContact O-CB 3.33Å; T715-F718 PolarHBondContact O-N 3.37Å; I716-F718 VanDerWaalsContact C-N 3.29Å; I716-F718 PolarHBondContact O-N 3.34Å; F718-R720 VanDerWaalsContact C-N 3.32Å; F718-R720 PolarHBondContact O-N 3.46Å; F718-A721 PolarHBondContact O-N 3Å; F718-L722 HydrophobicContact CE1-CD2 4.02Å; F718-L722 HydrophobicContact CZ-CB 4.35Å; F718-L722 HydrophobicContact CZ-CD2 4Å; F718-L722 WeakPolarHBondContact O-CB 3.49Å; F718-L722 PolarHBondContact O-N 2.98Å |
| 719 | Y | 96.2 | Very high | 93.2 | Very high | 13 Ų | 13 | 50.8 Ų | 50.8 | 5% | 0.051 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64 | -36.8 | 179.1 | -81.1 | -65.3 | 0 | 0 | 0 | 112.1 | L681 F706 A711 T715 I716 L722 F723 | L681-Y719 HydrophobicContact CD1-CE1 4.36Å; L681-Y719 HydrophobicContact CG-CE1 4.46Å; L681-Y719 PolarHBondContact O-OH 2.73Å; F706-Y719 AromaticContact CE1-CD1 3.71Å; F706-Y719 HydrophobicContact CE1-CD1 3.71Å; F706-Y719 HydrophobicContact CE1-CD2 4.2Å; F706-Y719 AromaticContact CE1-CE1 3.72Å; F706-Y719 HydrophobicContact CE1-CE1 3.72Å; F706-Y719 HydrophobicContact CE1-CE2 4.17Å; F706-Y719 AromaticContact CE1-CG 3.98Å; F706-Y719 HydrophobicContact CE1-CG 3.98Å; F706-Y719 AromaticContact CE1-CZ 3.94Å; F706-Y719 HydrophobicContact CZ-CD1 4.38Å; F706-Y719 AromaticContact CZ-CE1 4Å; F706-Y719 HydrophobicContact CZ-CE1 4Å; A711-Y719 HydrophobicContact CB-CD2 3.84Å; A711-Y719 HydrophobicContact CB-CE2 4.22Å; T715-Y719 PolarHBondContact O-N 2.88Å; T715-Y719 WeakPolarHBondContact OG1-CD2 3.28Å; T715-Y719 VanDerWaalsContact OG1-CE2 3.3Å; T715-Y719 WeakPolarHBondContact OG1-CE2 3.41Å; I716-Y719 PolarHBondContact O-N 2.59Å; Y719-L722 HydrophobicContact CD1-CD2 4.13Å; Y719-L722 HydrophobicContact CE1-CD2 4.43Å; Y719-L722 PolarHBondContact O-N 3.12Å; Y719-F723 HydrophobicContact CD1-CE1 4.24Å; Y719-F723 HydrophobicContact CD1-CE2 4.13Å; Y719-F723 AromaticContact CD1-CZ 3.69Å; Y719-F723 HydrophobicContact CD1-CZ 3.69Å; Y719-F723 HydrophobicContact CE1-CZ 4.44Å; Y719-F723 HydrophobicContact CG-CE2 4.41Å; Y719-F723 HydrophobicContact CG-CZ 4.4Å; Y719-F723 WeakPolarHBondContact O-CB 3.46Å; Y719-F723 WeakPolarHBondContact O-CD2 3.45Å; Y719-F723 WeakPolarHBondContact O-CG 3.46Å; Y719-F723 PolarHBondContact O-N 3.34Å |
| 720 | R | 94.4 | Very high | 93.3 | Very high | 89 Ų | 89 | 46.4 Ų | 46.4 | 34% | 0.336 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.7 | -48.9 | 173.1 | -173.8 | 171.1 | -64.6 | -85.9 | 0.8 | 111.3 | E704 L707 I716 F718 L722 F723 E724 | E704-R720 VanDerWaalsContact CD-NH2 3.26Å; E704-R720 IonicContact OE1-CZ 3.78Å; E704-R720 VanDerWaalsContact OE1-CZ 3.23Å; E704-R720 IonicContact OE1-NH1 3.67Å; E704-R720 PolarHBondContact OE1-NH1 3.36Å; E704-R720 IonicContact OE1-NH2 2.95Å; E704-R720 PolarHBondContact OE1-NH2 3.4Å; E704-R720 IonicContact OE2-NH2 3.14Å; E704-R720 PolarHBondContact OE2-NH2 3.41Å; L707-R720 HydrophobicContact CD1-CB 4.3Å; I716-R720 WeakPolarHBondContact O-CB 3.4Å; I716-R720 PolarHBondContact O-N 2.74Å; F718-R720 VanDerWaalsContact C-N 3.32Å; F718-R720 PolarHBondContact O-N 3.46Å; R720-L722 PolarHBondContact O-N 2.86Å; R720-F723 PolarHBondContact O-N 2.83Å; R720-E724 VanDerWaalsContact CG-OE1 3.23Å; R720-E724 WeakPolarHBondContact CG-OE1 3.33Å; R720-E724 WeakPolarHBondContact O-CG 3.46Å; R720-E724 PolarHBondContact O-N 2.88Å; R720-E724 VanDerWaalsContact O-N 3.16Å |
| 721 | A | 93.1 | Very high | 93.5 | Very high | 18 Ų | 18 | 44.8 Ų | 44.8 | 15% | 0.149 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.8 | -39.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | T504 F597 P717 F718 E724 T725 | T504-A721 HydrophobicContact CG2-CB 4.05Å; F597-A721 HydrophobicContact CE1-CB 4.33Å; F597-A721 HydrophobicContact CE2-CB 3.86Å; F597-A721 HydrophobicContact CZ-CB 3.53Å; P717-A721 PolarHBondContact O-N 3.32Å; F718-A721 PolarHBondContact O-N 3Å; A721-E724 PolarHBondContact O-N 3.34Å; A721-T725 WeakPolarHBondContact O-CG2 3.43Å |
| 722 | L | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.5 | -45.8 | 174.9 | 171.1 | 62 | 0 | 0 | 0 | 111.6 | L503 L532 L682 F718 Y719 R720 E724 T725 W728 | L503-L722 HydrophobicContact CB-CD1 4.38Å; L503-L722 HydrophobicContact CD2-CD1 4.45Å; L503-L722 WeakPolarHBondContact O-CD1 3.5Å; L532-L722 HydrophobicContact CD1-CD1 3.89Å; L682-L722 HydrophobicContact CD2-CD2 4.32Å; F718-L722 HydrophobicContact CE1-CD2 4.02Å; F718-L722 HydrophobicContact CZ-CB 4.35Å; F718-L722 HydrophobicContact CZ-CD2 4Å; F718-L722 WeakPolarHBondContact O-CB 3.49Å; F718-L722 PolarHBondContact O-N 2.98Å; Y719-L722 HydrophobicContact CD1-CD2 4.13Å; Y719-L722 HydrophobicContact CE1-CD2 4.43Å; Y719-L722 PolarHBondContact O-N 3.12Å; R720-L722 PolarHBondContact O-N 2.86Å; L722-E724 VanDerWaalsContact C-N 3.26Å; L722-E724 PolarHBondContact O-N 3.13Å; L722-T725 WeakPolarHBondContact O-CB 3.34Å; L722-T725 WeakPolarHBondContact O-CG2 3.48Å; L722-T725 PolarHBondContact O-N 3.21Å; L722-T725 VanDerWaalsContact O-N 3.14Å; L722-T725 PolarHBondContact O-OG1 2.63Å; L722-W728 WeakPolarHBondContact O-CB 3.35Å |
| 723 | F | 95.2 | Very high | 93.6 | Very high | 3 Ų | 3 | 46 Ų | 46 | 1% | 0.013 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -75.3 | -14.3 | -176.9 | -58.9 | -31.2 | 0 | 0 | 0 | 113.9 | F701 I703 F706 Y719 R720 T725 W728 | F701-F723 HydrophobicContact CE1-CD1 4.23Å; F701-F723 AromaticContact CE1-CD2 3.93Å; F701-F723 HydrophobicContact CE1-CD2 3.93Å; F701-F723 HydrophobicContact CE1-CE1 4.14Å; F701-F723 AromaticContact CE1-CE2 3.84Å; F701-F723 HydrophobicContact CE1-CE2 3.84Å; F701-F723 HydrophobicContact CE1-CG 4.13Å; F701-F723 AromaticContact CE1-CZ 3.94Å; F701-F723 HydrophobicContact CE1-CZ 3.94Å; F701-F723 HydrophobicContact CZ-CE1 4.27Å; F701-F723 HydrophobicContact CZ-CE2 4.22Å; F701-F723 AromaticContact CZ-CZ 3.97Å; F701-F723 HydrophobicContact CZ-CZ 3.97Å; I703-F723 HydrophobicContact CD1-CB 3.83Å; I703-F723 HydrophobicContact CG1-CB 3.98Å; I703-F723 HydrophobicContact CG1-CD2 4.23Å; I703-F723 HydrophobicContact CG1-CG 4.43Å; I703-F723 HydrophobicContact CG2-CD2 4.18Å; F706-F723 HydrophobicContact CB-CE2 4.21Å; F706-F723 AromaticContact CD1-CE2 3.49Å; F706-F723 HydrophobicContact CD1-CE2 3.49Å; F706-F723 VanDerWaalsContact CD1-CE2 3.49Å; F706-F723 AromaticContact CD1-CZ 3.59Å; F706-F723 HydrophobicContact CD1-CZ 3.59Å; F706-F723 HydrophobicContact CD2-CZ 4.37Å; F706-F723 HydrophobicContact CE1-CE2 4.03Å; F706-F723 AromaticContact CE1-CZ 3.71Å; F706-F723 HydrophobicContact CE1-CZ 3.71Å; F706-F723 HydrophobicContact CE2-CZ 4.46Å; F706-F723 AromaticContact CG-CE2 3.9Å; F706-F723 HydrophobicContact CG-CE2 3.9Å; F706-F723 AromaticContact CG-CZ 3.94Å; F706-F723 HydrophobicContact CG-CZ 3.94Å; F706-F723 HydrophobicContact CZ-CZ 4.15Å; Y719-F723 HydrophobicContact CD1-CE1 4.24Å; Y719-F723 HydrophobicContact CD1-CE2 4.13Å; Y719-F723 AromaticContact CD1-CZ 3.69Å; Y719-F723 HydrophobicContact CD1-CZ 3.69Å; Y719-F723 HydrophobicContact CE1-CZ 4.44Å; Y719-F723 HydrophobicContact CG-CE2 4.41Å; Y719-F723 HydrophobicContact CG-CZ 4.4Å; Y719-F723 WeakPolarHBondContact O-CB 3.46Å; Y719-F723 WeakPolarHBondContact O-CD2 3.45Å; Y719-F723 WeakPolarHBondContact O-CG 3.46Å; Y719-F723 PolarHBondContact O-N 3.34Å; R720-F723 PolarHBondContact O-N 2.83Å; F723-T725 VanDerWaalsContact C-N 3.33Å; F723-W728 HydrophobicContact CB-CG 4.5Å; F723-W728 AromaticContact CD1-CD1 3.93Å; F723-W728 AromaticContact CD1-CD2 3.56Å; F723-W728 HydrophobicContact CD1-CD2 3.56Å; F723-W728 AromaticContact CD1-CE2 3.35Å; F723-W728 HydrophobicContact CD1-CE3 4.09Å; F723-W728 AromaticContact CD1-CG 3.94Å; F723-W728 HydrophobicContact CD1-CG 3.94Å; F723-W728 HydrophobicContact CD1-CH2 4.26Å; F723-W728 AromaticContact CD1-CZ2 3.75Å; F723-W728 HydrophobicContact CD1-CZ2 3.75Å; F723-W728 HydrophobicContact CD1-CZ3 4.41Å; F723-W728 AromaticContact CD1-NE1 3.55Å; F723-W728 HydrophobicContact CE1-CD2 4.06Å; F723-W728 AromaticContact CE1-CE2 3.75Å; F723-W728 HydrophobicContact CE1-CE3 4.19Å; F723-W728 AromaticContact CE1-CH2 3.8Å; F723-W728 HydrophobicContact CE1-CH2 3.8Å; F723-W728 AromaticContact CE1-CZ2 3.64Å; F723-W728 HydrophobicContact CE1-CZ2 3.64Å; F723-W728 HydrophobicContact CE1-CZ3 4.07Å; F723-W728 AromaticContact CG-NE1 3.99Å |
| 724 | E | 92.7 | Very high | 93.6 | Very high | 132 Ų | 132 | 38 Ų | 38 | 62% | 0.617 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -10.5 | 169.8 | -72.5 | 165.5 | -169 | 0 | 0 | 112.8 | R720 A721 L722 | R720-E724 VanDerWaalsContact CG-OE1 3.23Å; R720-E724 WeakPolarHBondContact CG-OE1 3.33Å; R720-E724 WeakPolarHBondContact O-CG 3.46Å; R720-E724 PolarHBondContact O-N 2.88Å; R720-E724 VanDerWaalsContact O-N 3.16Å; A721-E724 PolarHBondContact O-N 3.34Å; L722-E724 VanDerWaalsContact C-N 3.26Å; L722-E724 PolarHBondContact O-N 3.13Å |
| 725 | T | 94.7 | Very high | 93.4 | Very high | 6 Ų | 6 | 38 Ų | 38 | 4% | 0.037 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -74.6 | 152.9 | -176.7 | 65.7 | 0 | 0 | 0 | 0 | 115.4 | E505 A721 L722 F723 Q727 W728 N729 | E505-T725 HydrophobicContact CB-CG2 3.97Å; E505-T725 HydrophobicContact CG-CG2 3.77Å; E505-T725 WeakPolarHBondContact OE2-CA 3.45Å; E505-T725 WeakPolarHBondContact OE2-CB 3.39Å; A721-T725 WeakPolarHBondContact O-CG2 3.43Å; L722-T725 WeakPolarHBondContact O-CB 3.34Å; L722-T725 WeakPolarHBondContact O-CG2 3.48Å; L722-T725 PolarHBondContact O-N 3.21Å; L722-T725 VanDerWaalsContact O-N 3.14Å; L722-T725 PolarHBondContact O-OG1 2.63Å; F723-T725 VanDerWaalsContact C-N 3.33Å; T725-Q727 VanDerWaalsContact OG1-CG 3.31Å; T725-Q727 WeakPolarHBondContact OG1-CG 3.42Å; T725-W728 PolarHBondContact O-N 3.23Å; T725-W728 VanDerWaalsContact OG1-CB 3.26Å; T725-W728 WeakPolarHBondContact OG1-CB 3.41Å; T725-W728 PolarHBondContact OG1-N 2.89Å; T725-N729 PolarHBondContact O-N 2.95Å; T725-N729 VanDerWaalsContact O-N 3.11Å; T725-N729 PolarHBondContact O-ND2 3.4Å |
| 726 | Q | 92.6 | Very high | 93.1 | Very high | 95 Ų | 95 | 40 Ų | 40 | 44% | 0.444 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -68.9 | -36.3 | 175.8 | -175 | 55.9 | 68.6 | 0 | 0 | 112.2 | E505 W728 N729 N730 | E505-Q726 PolarHBondContact OE1-N 2.95Å; E505-Q726 PolarHBondContact OE2-N 2.86Å; Q726-W728 VanDerWaalsContact C-N 3.32Å; Q726-W728 PolarHBondContact O-N 2.87Å; Q726-N729 PolarHBondContact O-N 3.27Å; Q726-N730 PolarHBondContact NE2-ND2 3.26Å; Q726-N730 PolarHBondContact NE2-OD1 2.94Å; Q726-N730 WeakPolarHBondContact O-CB 3.2Å; Q726-N730 VanDerWaalsContact O-CG 3.28Å; Q726-N730 PolarHBondContact O-N 3.37Å; Q726-N730 PolarHBondContact O-ND2 3.47Å |
| 727 | Q | 94.2 | Very high | 92.6 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.9 | -35.9 | 172.6 | 65 | -172.6 | -12.4 | 0 | 0 | 112.7 | L502 L503 E505 I529 L532 K533 T725 F731 | L502-Q727 PolarHBondContact O-NE2 2.88Å; L503-Q727 PolarHBondContact O-NE2 3.16Å; E505-Q727 HydrophobicContact CG-CG 4.13Å; E505-Q727 WeakPolarHBondContact OE1-CB 3.4Å; E505-Q727 WeakPolarHBondContact OE1-CG 3.35Å; E505-Q727 PolarHBondContact OE1-N 2.94Å; I529-Q727 VanDerWaalsContact CD1-OE1 3.24Å; L532-Q727 HydrophobicContact CB-CB 4.46Å; L532-Q727 HydrophobicContact CB-CG 4.5Å; L532-Q727 HydrophobicContact CD1-CG 4.31Å; K533-Q727 WeakPolarHBondContact O-CB 3.36Å; T725-Q727 VanDerWaalsContact OG1-CG 3.31Å; T725-Q727 WeakPolarHBondContact OG1-CG 3.42Å; Q727-F731 WeakPolarHBondContact O-CB 3.38Å; Q727-F731 PolarHBondContact O-N 2.85Å |
| 728 | W | 95.5 | Very high | 92 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.015 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.3 | -48.5 | 173.3 | 178.7 | -106.1 | 0 | 0 | 0 | 111.7 | L532 L682 F701 L722 F723 T725 Q726 N730 F731 V732 | L532-W728 HydrophobicContact CD2-CE3 4.04Å; L532-W728 HydrophobicContact CD2-CZ3 4.49Å; L682-W728 HydrophobicContact CD1-CZ3 4.49Å; L682-W728 HydrophobicContact CD2-CZ3 3.95Å; F701-W728 AromaticContact CD1-CZ2 3.87Å; F701-W728 HydrophobicContact CD1-CZ2 3.87Å; F701-W728 AromaticContact CD1-NE1 3.75Å; F701-W728 AromaticContact CD2-CZ2 3.83Å; F701-W728 HydrophobicContact CD2-CZ2 3.83Å; F701-W728 AromaticContact CE1-CZ2 3.7Å; F701-W728 HydrophobicContact CE1-CZ2 3.7Å; F701-W728 HydrophobicContact CE2-CH2 4.25Å; F701-W728 AromaticContact CE2-CZ2 3.65Å; F701-W728 HydrophobicContact CE2-CZ2 3.65Å; F701-W728 AromaticContact CG-CZ2 3.94Å; F701-W728 HydrophobicContact CG-CZ2 3.94Å; F701-W728 HydrophobicContact CZ-CH2 4.28Å; F701-W728 AromaticContact CZ-CZ2 3.59Å; F701-W728 HydrophobicContact CZ-CZ2 3.59Å; L722-W728 WeakPolarHBondContact O-CB 3.35Å; F723-W728 HydrophobicContact CB-CG 4.5Å; F723-W728 AromaticContact CD1-CD1 3.93Å; F723-W728 AromaticContact CD1-CD2 3.56Å; F723-W728 HydrophobicContact CD1-CD2 3.56Å; F723-W728 AromaticContact CD1-CE2 3.35Å; F723-W728 HydrophobicContact CD1-CE3 4.09Å; F723-W728 AromaticContact CD1-CG 3.94Å; F723-W728 HydrophobicContact CD1-CG 3.94Å; F723-W728 HydrophobicContact CD1-CH2 4.26Å; F723-W728 AromaticContact CD1-CZ2 3.75Å; F723-W728 HydrophobicContact CD1-CZ2 3.75Å; F723-W728 HydrophobicContact CD1-CZ3 4.41Å; F723-W728 AromaticContact CD1-NE1 3.55Å; F723-W728 HydrophobicContact CE1-CD2 4.06Å; F723-W728 AromaticContact CE1-CE2 3.75Å; F723-W728 HydrophobicContact CE1-CE3 4.19Å; F723-W728 AromaticContact CE1-CH2 3.8Å; F723-W728 HydrophobicContact CE1-CH2 3.8Å; F723-W728 AromaticContact CE1-CZ2 3.64Å; F723-W728 HydrophobicContact CE1-CZ2 3.64Å; F723-W728 HydrophobicContact CE1-CZ3 4.07Å; F723-W728 AromaticContact CG-NE1 3.99Å; T725-W728 PolarHBondContact O-N 3.23Å; T725-W728 VanDerWaalsContact OG1-CB 3.26Å; T725-W728 WeakPolarHBondContact OG1-CB 3.41Å; T725-W728 PolarHBondContact OG1-N 2.89Å; Q726-W728 VanDerWaalsContact C-N 3.32Å; Q726-W728 PolarHBondContact O-N 2.87Å; W728-N730 VanDerWaalsContact C-N 3.27Å; W728-N730 PolarHBondContact O-N 3.17Å; W728-F731 AromaticContact CE3-CD1 3.83Å; W728-F731 HydrophobicContact CE3-CD1 3.83Å; W728-F731 HydrophobicContact CE3-CE1 4.42Å; W728-F731 AromaticContact CH2-CD1 3.98Å; W728-F731 HydrophobicContact CH2-CD1 3.98Å; W728-F731 AromaticContact CH2-CE1 3.88Å; W728-F731 HydrophobicContact CH2-CE1 3.88Å; W728-F731 AromaticContact CZ3-CD1 3.51Å; W728-F731 HydrophobicContact CZ3-CD1 3.51Å; W728-F731 AromaticContact CZ3-CE1 3.64Å; W728-F731 HydrophobicContact CZ3-CE1 3.64Å; W728-F731 WeakPolarHBondContact O-CB 3.1Å; W728-F731 PolarHBondContact O-N 2.91Å; W728-F731 VanDerWaalsContact O-N 3.1Å; W728-V732 HydrophobicContact CD2-CG2 4.1Å; W728-V732 VanDerWaalsContact CE2-CG2 3.45Å; W728-V732 HydrophobicContact CG-CG2 4.47Å; W728-V732 HydrophobicContact CH2-CG2 4.39Å; W728-V732 HydrophobicContact CZ2-CG2 3.62Å; W728-V732 PolarHBondContact O-N 3.4Å |
| 729 | N | 93 | Very high | 91.3 | Very high | 82 Ų | 82 | 46.2 Ų | 46.2 | 44% | 0.439 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.7 | -37.9 | 177 | -76.4 | -69.7 | 0 | 0 | 0 | 112.2 | T725 Q726 R733 | T725-N729 PolarHBondContact O-N 2.95Å; T725-N729 VanDerWaalsContact O-N 3.11Å; T725-N729 PolarHBondContact O-ND2 3.4Å; Q726-N729 PolarHBondContact O-N 3.27Å; N729-R733 WeakPolarHBondContact O-CB 3.27Å; N729-R733 PolarHBondContact O-N 3.38Å |
| 730 | N | 91.9 | Very high | 90.4 | Very high | 20 Ų | 20 | 51.6 Ų | 51.6 | 11% | 0.107 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.9 | -44.2 | 172.8 | -76.7 | -30.6 | 0 | 0 | 0 | 111.9 | T535 Q726 W728 R733 D734 | T535-N730 WeakPolarHBondContact CB-ND2 3.48Å; T535-N730 PolarHBondContact OG1-ND2 3.25Å; Q726-N730 PolarHBondContact NE2-ND2 3.26Å; Q726-N730 PolarHBondContact NE2-OD1 2.94Å; Q726-N730 WeakPolarHBondContact O-CB 3.2Å; Q726-N730 VanDerWaalsContact O-CG 3.28Å; Q726-N730 PolarHBondContact O-N 3.37Å; Q726-N730 PolarHBondContact O-ND2 3.47Å; W728-N730 VanDerWaalsContact C-N 3.27Å; W728-N730 PolarHBondContact O-N 3.17Å; N730-R733 PolarHBondContact O-N 3.01Å; N730-R733 VanDerWaalsContact OD1-CZ 3.23Å; N730-R733 PolarHBondContact OD1-NH1 3.01Å; N730-R733 PolarHBondContact OD1-NH2 3.27Å; N730-D734 WeakPolarHBondContact O-CB 3.42Å; N730-D734 VanDerWaalsContact O-CG 3.31Å; N730-D734 PolarHBondContact O-N 3.06Å |
| 731 | F | 94.7 | Very high | 89.9 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 0% | 0.004 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.5 | -49.6 | 174.9 | 170.5 | -100.8 | 0 | 0 | 0 | 112.1 | P531 L532 Y685 Q727 W728 R733 D734 R735 L745 | P531-F731 HydrophobicContact CB-CD2 4.26Å; P531-F731 HydrophobicContact CB-CE2 3.83Å; P531-F731 HydrophobicContact CG-CD2 4.18Å; P531-F731 HydrophobicContact CG-CE2 3.62Å; P531-F731 HydrophobicContact CG-CZ 4.16Å; L532-F731 HydrophobicContact CD2-CB 3.65Å; L532-F731 HydrophobicContact CD2-CD1 4.14Å; L532-F731 HydrophobicContact CD2-CD2 4.2Å; L532-F731 HydrophobicContact CD2-CG 3.74Å; Y685-F731 AromaticContact CD2-CE1 3.7Å; Y685-F731 HydrophobicContact CD2-CE1 3.7Å; Y685-F731 HydrophobicContact CD2-CZ 4.02Å; Y685-F731 HydrophobicContact CE1-CZ 4.46Å; Y685-F731 AromaticContact CE2-CE1 3.7Å; Y685-F731 HydrophobicContact CE2-CE1 3.7Å; Y685-F731 AromaticContact CE2-CZ 3.6Å; Y685-F731 HydrophobicContact CE2-CZ 3.6Å; Y685-F731 HydrophobicContact CG-CE1 4.39Å; Y685-F731 AromaticContact CZ-CZ 3.84Å; Q727-F731 WeakPolarHBondContact O-CB 3.38Å; Q727-F731 PolarHBondContact O-N 2.85Å; W728-F731 AromaticContact CE3-CD1 3.83Å; W728-F731 HydrophobicContact CE3-CD1 3.83Å; W728-F731 HydrophobicContact CE3-CE1 4.42Å; W728-F731 AromaticContact CH2-CD1 3.98Å; W728-F731 HydrophobicContact CH2-CD1 3.98Å; W728-F731 AromaticContact CH2-CE1 3.88Å; W728-F731 HydrophobicContact CH2-CE1 3.88Å; W728-F731 AromaticContact CZ3-CD1 3.51Å; W728-F731 HydrophobicContact CZ3-CD1 3.51Å; W728-F731 AromaticContact CZ3-CE1 3.64Å; W728-F731 HydrophobicContact CZ3-CE1 3.64Å; W728-F731 WeakPolarHBondContact O-CB 3.1Å; W728-F731 PolarHBondContact O-N 2.91Å; W728-F731 VanDerWaalsContact O-N 3.1Å; F731-R733 VanDerWaalsContact C-N 3.28Å; F731-R733 PolarHBondContact O-N 3.41Å; F731-D734 CarbonylContact O-C 3.56Å; F731-D734 PolarHBondContact O-N 2.91Å; F731-D734 VanDerWaalsContact O-N 3.15Å; F731-R735 HydrophobicContact CD1-CG 4.39Å; F731-R735 HydrophobicContact CD2-CG 4.21Å; F731-R735 HydrophobicContact CE1-CG 4.08Å; F731-R735 HydrophobicContact CE2-CG 3.89Å; F731-R735 HydrophobicContact CG-CG 4.46Å; F731-R735 HydrophobicContact CZ-CG 3.82Å; F731-R735 WeakPolarHBondContact O-CB 3.48Å; F731-R735 VanDerWaalsContact O-CG 3.29Å; F731-R735 WeakPolarHBondContact O-CG 3.37Å; F731-R735 PolarHBondContact O-N 3.02Å; F731-L745 HydrophobicContact CD2-CD2 3.94Å; F731-L745 HydrophobicContact CE2-CD2 3.75Å |
| 732 | V | 93.5 | Very high | 89.4 | Confident | 7 Ų | 7 | 50.4 Ų | 50.4 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.1 | -40 | 177.4 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | L689 M700 F701 W728 R735 I736 | L689-V732 HydrophobicContact CD2-CG1 4.14Å; M700-V732 HydrophobicContact CB-CG1 3.68Å; F701-V732 HydrophobicContact CB-CG1 4.02Å; F701-V732 HydrophobicContact CB-CG2 4.07Å; F701-V732 HydrophobicContact CG-CG2 4.38Å; W728-V732 HydrophobicContact CD2-CG2 4.1Å; W728-V732 VanDerWaalsContact CE2-CG2 3.45Å; W728-V732 HydrophobicContact CG-CG2 4.47Å; W728-V732 HydrophobicContact CH2-CG2 4.39Å; W728-V732 HydrophobicContact CZ2-CG2 3.62Å; W728-V732 PolarHBondContact O-N 3.4Å; V732-R735 PolarHBondContact O-N 3.34Å; V732-I736 HydrophobicContact CG1-CD1 3.78Å; V732-I736 WeakPolarHBondContact O-CG1 3.4Å; V732-I736 PolarHBondContact O-N 2.98Å |
| 733 | R | 90.2 | Very high | 88.7 | Confident | 120 Ų | 120 | 55.1 Ų | 55.1 | 45% | 0.453 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.5 | -47.1 | 174.2 | -169.8 | -174.8 | 65 | -125.7 | -14.3 | 112 | N729 N730 F731 R735 I736 Y737 | N729-R733 WeakPolarHBondContact O-CB 3.27Å; N729-R733 PolarHBondContact O-N 3.38Å; N730-R733 PolarHBondContact O-N 3.01Å; N730-R733 VanDerWaalsContact OD1-CZ 3.23Å; N730-R733 PolarHBondContact OD1-NH1 3.01Å; N730-R733 PolarHBondContact OD1-NH2 3.27Å; F731-R733 VanDerWaalsContact C-N 3.28Å; F731-R733 PolarHBondContact O-N 3.41Å; R733-R735 PolarHBondContact O-N 3.27Å; R733-I736 PolarHBondContact O-N 2.95Å; R733-Y737 HydrophobicContact CG-CD2 3.61Å; R733-Y737 HydrophobicContact CG-CE2 3.99Å; R733-Y737 PolarHBondContact O-N 2.92Å |
| 734 | D | 90.3 | Very high | 88.1 | Confident | 25 Ų | 25 | 55.9 Ų | 55.9 | 13% | 0.134 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.7 | -19.3 | 175.3 | -72.8 | -31.7 | 0 | 0 | 0 | 113.1 | N730 F731 S739 R741 L745 | N730-D734 WeakPolarHBondContact O-CB 3.42Å; N730-D734 VanDerWaalsContact O-CG 3.31Å; N730-D734 PolarHBondContact O-N 3.06Å; F731-D734 CarbonylContact O-C 3.56Å; F731-D734 PolarHBondContact O-N 2.91Å; F731-D734 VanDerWaalsContact O-N 3.15Å; D734-S739 PolarHBondContact OD1-OG 3.38Å; D734-R741 VanDerWaalsContact OD2-CD 3.31Å; D734-R741 WeakPolarHBondContact OD2-CD 3.03Å; D734-R741 IonicContact OD2-CZ 3.2Å; D734-R741 IonicContact OD2-NE 2.88Å; D734-R741 IonicContact OD2-NH1 2.68Å; D734-R741 PolarHBondContact OD2-NH1 2.86Å; D734-L745 HydrophobicContact CB-CD1 3.81Å |
| 735 | R | 89.7 | Confident | 88 | Confident | 56 Ų | 56 | 49.7 Ų | 49.7 | 21% | 0.211 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -90.8 | -11.8 | 177.4 | -72.5 | -52.1 | -44.1 | -148.2 | 0.2 | 114.6 | Y685 L689 F731 V732 R733 L745 D749 | Y685-R735 HydrophobicContact CE2-CG 4.07Å; Y685-R735 PolarHBondContact OH-NE 2.98Å; Y685-R735 PolarHBondContact OH-NH1 3.43Å; L689-R735 HydrophobicContact CD1-CB 4.5Å; F731-R735 HydrophobicContact CD1-CG 4.39Å; F731-R735 HydrophobicContact CD2-CG 4.21Å; F731-R735 HydrophobicContact CE1-CG 4.08Å; F731-R735 HydrophobicContact CE2-CG 3.89Å; F731-R735 HydrophobicContact CG-CG 4.46Å; F731-R735 HydrophobicContact CZ-CG 3.82Å; F731-R735 WeakPolarHBondContact O-CB 3.48Å; F731-R735 VanDerWaalsContact O-CG 3.29Å; F731-R735 WeakPolarHBondContact O-CG 3.37Å; F731-R735 PolarHBondContact O-N 3.02Å; V732-R735 PolarHBondContact O-N 3.34Å; R733-R735 PolarHBondContact O-N 3.27Å; R735-L745 PolarHBondContact NH1-O 3.25Å; R735-L745 VanDerWaalsContact NH1-O 3.12Å; R735-D749 IonicContact CZ-OD2 2.72Å; R735-D749 IonicContact NH1-OD1 3.46Å; R735-D749 PolarHBondContact NH1-OD1 3.1Å; R735-D749 IonicContact NH1-OD2 2.73Å; R735-D749 PolarHBondContact NH1-OD2 2.98Å; R735-D749 IonicContact NH2-OD2 3.12Å; R735-D749 PolarHBondContact NH2-OD2 3.35Å |
| 736 | I | 86.1 | Confident | 87.7 | Confident | 42 Ų | 42 | 52.2 Ų | 52.2 | 22% | 0.215 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -115.1 | -36.2 | -174.4 | -69.5 | 170.7 | 0 | 0 | 0 | 111.9 | L689 V692 M700 V732 R733 | L689-I736 HydrophobicContact CD2-CD1 4.18Å; L689-I736 HydrophobicContact CD2-CG1 4.38Å; V692-I736 HydrophobicContact CG2-CG2 3.31Å; M700-I736 HydrophobicContact CB-CD1 3.71Å; M700-I736 HydrophobicContact CE-CB 4.36Å; M700-I736 HydrophobicContact CE-CD1 4.15Å; M700-I736 HydrophobicContact CE-CG2 3.67Å; M700-I736 HydrophobicContact CG-CD1 4.25Å; M700-I736 HydrophobicContact SD-CD1 3.95Å; M700-I736 HydrophobicContact SD-CG2 4.41Å; V732-I736 HydrophobicContact CG1-CD1 3.78Å; V732-I736 WeakPolarHBondContact O-CG1 3.4Å; V732-I736 PolarHBondContact O-N 2.98Å; R733-I736 PolarHBondContact O-N 2.95Å |
| 737 | Y | 85.6 | Confident | 87.5 | Confident | 131 Ų | 131 | 51.2 Ų | 51.2 | 51% | 0.514 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -105.2 | 144 | 172.5 | -56 | -81.8 | 0 | 0 | 0 | 109.6 | M700 R733 S739 | M700-Y737 HydrophobicContact CE-CD2 4.34Å; M700-Y737 HydrophobicContact CE-CE2 3.32Å; M700-Y737 WeakPolarHBondContact CE-OH 3.36Å; R733-Y737 HydrophobicContact CG-CD2 3.61Å; R733-Y737 HydrophobicContact CG-CE2 3.99Å; R733-Y737 PolarHBondContact O-N 2.92Å; Y737-S739 PolarHBondContact O-N 2.75Å |
| 738 | A | 78.1 | Confident | 87.5 | Confident | 98 Ų | 98 | 51.2 Ų | 51.2 | 81% | 0.81 | 27% | 0.267 | S | S | * | . | trans | -55.9 | 121.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 739 | S | 81.2 | Confident | 87.3 | Confident | 27 Ų | 27 | 51.1 Ų | 51.1 | 19% | 0.189 | 27% | 0.267 | C | S | . | . | trans | -113.3 | 164.8 | -173.9 | -171.1 | 0 | 0 | 0 | 0 | 110.3 | D734 Y737 R741 D742 | D734-S739 PolarHBondContact OD1-OG 3.38Å; Y737-S739 PolarHBondContact O-N 2.75Å; S739-R741 PolarHBondContact O-N 3.39Å; S739-R741 VanDerWaalsContact O-N 3.13Å; S739-R741 PolarHBondContact OG-N 2.9Å; S739-D742 WeakPolarHBondContact CA-OD1 3.21Å; S739-D742 WeakPolarHBondContact CB-OD1 3.31Å; S739-D742 PolarHBondContact N-OD1 2.76Å; S739-D742 VanDerWaalsContact O-CG 3.27Å; S739-D742 VanDerWaalsContact O-OD1 3.14Å | ||
| 740 | S | 75.6 | Confident | 87.3 | Confident | 126 Ų | 126 | 51 Ų | 51 | 88% | 0.881 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -3 | 166.5 | 56.5 | 0 | 0 | 0 | 0 | 112.7 | ||
| 741 | R | 84 | Confident | 87.4 | Confident | 17 Ų | 17 | 52.9 Ų | 52.9 | 6% | 0.064 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 1.7 | -172.9 | -59 | -177.8 | 62 | -150.4 | -7.4 | 114.4 | P531 D734 S739 E743 E744 L745 | P531-R741 PolarHBondContact O-NH2 3.21Å; D734-R741 VanDerWaalsContact OD2-CD 3.31Å; D734-R741 WeakPolarHBondContact OD2-CD 3.03Å; D734-R741 IonicContact OD2-CZ 3.2Å; D734-R741 IonicContact OD2-NE 2.88Å; D734-R741 IonicContact OD2-NH1 2.68Å; D734-R741 PolarHBondContact OD2-NH1 2.86Å; S739-R741 PolarHBondContact O-N 3.39Å; S739-R741 VanDerWaalsContact O-N 3.13Å; S739-R741 PolarHBondContact OG-N 2.9Å; R741-E743 PolarHBondContact O-N 3.32Å; R741-E743 VanDerWaalsContact O-N 3.16Å; R741-E744 IonicContact CZ-OE2 3.68Å; R741-E744 IonicContact NE-OE2 2.73Å; R741-E744 PolarHBondContact NE-OE2 3.14Å; R741-E744 IonicContact NH2-OE2 2.69Å; R741-E744 PolarHBondContact NH2-OE2 3.49Å; R741-E744 WeakPolarHBondContact O-CA 3.48Å; R741-E744 VanDerWaalsContact O-CB 3.32Å; R741-E744 WeakPolarHBondContact O-CB 3.28Å; R741-E744 PolarHBondContact O-N 2.89Å; R741-L745 HydrophobicContact CB-CD1 3.67Å; R741-L745 HydrophobicContact CB-CG 4.19Å; R741-L745 WeakPolarHBondContact O-CG 3.33Å; R741-L745 PolarHBondContact O-N 3.44Å |
| 742 | D | 84.2 | Confident | 87.4 | Confident | 66 Ų | 66 | 52.9 Ų | 52.9 | 35% | 0.353 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -52 | -42.8 | -173.1 | -63.7 | -3 | 0 | 0 | 0 | 111.8 | S739 E744 L745 D746 | S739-D742 WeakPolarHBondContact CA-OD1 3.21Å; S739-D742 WeakPolarHBondContact CB-OD1 3.31Å; S739-D742 PolarHBondContact N-OD1 2.76Å; S739-D742 VanDerWaalsContact O-CG 3.27Å; S739-D742 VanDerWaalsContact O-OD1 3.14Å; D742-E744 PolarHBondContact O-N 2.95Å; D742-L745 PolarHBondContact O-N 2.84Å; D742-L745 VanDerWaalsContact O-N 3.15Å; D742-D746 WeakPolarHBondContact O-CB 3.34Å; D742-D746 PolarHBondContact O-N 2.78Å |
| 743 | E | 79.9 | Confident | 87.4 | Confident | 99 Ų | 99 | 55.9 Ų | 55.9 | 46% | 0.463 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.8 | -38.8 | 174.9 | -64.9 | -174.3 | -131 | 0 | 0 | 113.3 | R451 T473 R741 Y747 | R451-E743 IonicContact NH1-OE1 3.27Å; T473-E743 WeakPolarHBondContact CB-OE2 3.17Å; T473-E743 HydrophobicContact CG2-CB 4.21Å; T473-E743 VanDerWaalsContact CG2-CD 3.41Å; T473-E743 HydrophobicContact CG2-CG 4.32Å; T473-E743 VanDerWaalsContact CG2-OE2 3.25Å; T473-E743 WeakPolarHBondContact CG2-OE2 3.46Å; T473-E743 PolarHBondContact OG1-OE2 3.19Å; R741-E743 PolarHBondContact O-N 3.32Å; R741-E743 VanDerWaalsContact O-N 3.16Å; E743-Y747 PolarHBondContact O-N 3.43Å |
| 744 | E | 83.1 | Confident | 87.5 | Confident | 18 Ų | 18 | 54.7 Ų | 54.7 | 8% | 0.084 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.8 | -39.4 | 175.2 | -57.5 | -178.2 | 159.3 | 0 | 0 | 111.8 | F530 K533 R741 D742 Y747 F748 | F530-E744 HydrophobicContact CE2-CB 4.16Å; F530-E744 HydrophobicContact CZ-CB 4.47Å; F530-E744 WeakPolarHBondContact CZ-O 3.42Å; K533-E744 WeakPolarHBondContact CE-OE1 3.44Å; K533-E744 WeakPolarHBondContact CE-OE2 3.12Å; K533-E744 IonicContact NZ-OE1 3.36Å; K533-E744 PolarHBondContact NZ-OE1 3.37Å; K533-E744 IonicContact NZ-OE2 2.71Å; K533-E744 PolarHBondContact NZ-OE2 3.4Å; R741-E744 IonicContact CZ-OE2 3.68Å; R741-E744 IonicContact NE-OE2 2.73Å; R741-E744 PolarHBondContact NE-OE2 3.14Å; R741-E744 IonicContact NH2-OE2 2.69Å; R741-E744 PolarHBondContact NH2-OE2 3.49Å; R741-E744 WeakPolarHBondContact O-CA 3.48Å; R741-E744 VanDerWaalsContact O-CB 3.32Å; R741-E744 WeakPolarHBondContact O-CB 3.28Å; R741-E744 PolarHBondContact O-N 2.89Å; D742-E744 PolarHBondContact O-N 2.95Å; E744-Y747 WeakPolarHBondContact O-CB 3.32Å; E744-Y747 PolarHBondContact O-N 3.35Å; E744-F748 PolarHBondContact O-N 3.01Å; E744-F748 VanDerWaalsContact O-N 3.14Å |
| 745 | L | 89.9 | Confident | 87.6 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.016 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -81.5 | -34 | -169 | -66.7 | 165.9 | 0 | 0 | 0 | 110.9 | P531 F731 D734 R735 R741 D742 F748 D749 | P531-L745 HydrophobicContact CB-CD2 4.29Å; F731-L745 HydrophobicContact CD2-CD2 3.94Å; F731-L745 HydrophobicContact CE2-CD2 3.75Å; D734-L745 HydrophobicContact CB-CD1 3.81Å; R735-L745 PolarHBondContact NH1-O 3.25Å; R735-L745 VanDerWaalsContact NH1-O 3.12Å; R741-L745 HydrophobicContact CB-CD1 3.67Å; R741-L745 HydrophobicContact CB-CG 4.19Å; R741-L745 WeakPolarHBondContact O-CG 3.33Å; R741-L745 PolarHBondContact O-N 3.44Å; D742-L745 PolarHBondContact O-N 2.84Å; D742-L745 VanDerWaalsContact O-N 3.15Å; L745-F748 PolarHBondContact O-N 2.65Å; L745-D749 PolarHBondContact O-N 2.8Å; L745-D749 VanDerWaalsContact O-N 3.09Å |
| 746 | D | 88.2 | Confident | 87.6 | Confident | 58 Ų | 58 | 54.9 Ų | 54.9 | 31% | 0.31 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 165.5 | -79.8 | -12.1 | 0 | 0 | 0 | 111.2 | D742 F748 D749 N750 | D742-D746 WeakPolarHBondContact O-CB 3.34Å; D742-D746 PolarHBondContact O-N 2.78Å; D746-F748 VanDerWaalsContact C-N 3.35Å; D746-F748 PolarHBondContact O-N 3.47Å; D746-D749 PolarHBondContact O-N 3.2Å; D746-N750 PolarHBondContact O-N 3.23Å; D746-N750 PolarHBondContact O-ND2 3.14Å |
| 747 | Y | 88.9 | Confident | 87.7 | Confident | 75 Ų | 75 | 57.1 Ų | 57.1 | 29% | 0.294 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.7 | -46.8 | 174.8 | 171.2 | -92.6 | 0 | 0 | 0 | 111.6 | A475 F530 L675 E743 E744 D749 N750 R751 | A475-Y747 HydrophobicContact CB-CD1 4.33Å; A475-Y747 HydrophobicContact CB-CE1 4.36Å; F530-Y747 HydrophobicContact CE1-CD1 4.37Å; F530-Y747 HydrophobicContact CZ-CD1 4.43Å; L675-Y747 HydrophobicContact CD2-CE1 3.82Å; L675-Y747 WeakPolarHBondContact CD2-OH 3.25Å; E743-Y747 PolarHBondContact O-N 3.43Å; E744-Y747 WeakPolarHBondContact O-CB 3.32Å; E744-Y747 PolarHBondContact O-N 3.35Å; Y747-D749 PolarHBondContact O-N 2.89Å; Y747-N750 PolarHBondContact O-N 3.41Å; Y747-R751 HydrophobicContact CE1-CG 4.15Å; Y747-R751 WeakPolarHBondContact O-CG 3.47Å; Y747-R751 PolarHBondContact O-N 3.32Å |
| 748 | F | 93.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.3 | -45.2 | 177.3 | -179.9 | -107.1 | 0 | 0 | 0 | 112.6 | F530 P531 L675 M678 V679 L682 Y685 E744 L745 D746 N750 R751 I752 | F530-F748 HydrophobicContact CD1-CD2 4.31Å; F530-F748 HydrophobicContact CE1-CB 3.85Å; F530-F748 AromaticContact CE1-CD2 3.85Å; F530-F748 HydrophobicContact CE1-CD2 3.85Å; F530-F748 HydrophobicContact CE1-CG 4.24Å; F530-F748 HydrophobicContact CZ-CB 4.03Å; P531-F748 HydrophobicContact CB-CB 4.23Å; P531-F748 HydrophobicContact CB-CD1 4.02Å; P531-F748 HydrophobicContact CB-CD2 4.09Å; P531-F748 HydrophobicContact CB-CE1 4.41Å; P531-F748 HydrophobicContact CB-CE2 4.49Å; P531-F748 HydrophobicContact CB-CG 3.84Å; P531-F748 HydrophobicContact CG-CD1 3.75Å; P531-F748 HydrophobicContact CG-CD2 4.02Å; P531-F748 HydrophobicContact CG-CE1 3.63Å; P531-F748 HydrophobicContact CG-CE2 3.94Å; P531-F748 HydrophobicContact CG-CG 3.93Å; P531-F748 HydrophobicContact CG-CZ 3.74Å; L675-F748 HydrophobicContact CD1-CD2 3.99Å; L675-F748 HydrophobicContact CD1-CE2 4.4Å; M678-F748 HydrophobicContact CB-CE2 4.38Å; V679-F748 HydrophobicContact CB-CE2 4.23Å; V679-F748 HydrophobicContact CG2-CD2 3.9Å; V679-F748 HydrophobicContact CG2-CE2 3.46Å; V679-F748 VanDerWaalsContact CG2-CE2 3.46Å; V679-F748 HydrophobicContact CG2-CZ 4.22Å; L682-F748 HydrophobicContact CB-CE1 4.35Å; L682-F748 HydrophobicContact CB-CZ 4.14Å; L682-F748 HydrophobicContact CD1-CE1 4.47Å; L682-F748 HydrophobicContact CD1-CZ 4.23Å; Y685-F748 HydrophobicContact CE1-CE1 4.47Å; E744-F748 PolarHBondContact O-N 3.01Å; E744-F748 VanDerWaalsContact O-N 3.14Å; L745-F748 PolarHBondContact O-N 2.65Å; D746-F748 VanDerWaalsContact C-N 3.35Å; D746-F748 PolarHBondContact O-N 3.47Å; F748-N750 PolarHBondContact O-N 2.94Å; F748-R751 WeakPolarHBondContact O-CB 3.39Å; F748-R751 PolarHBondContact O-N 3.27Å; F748-I752 HydrophobicContact CD1-CD1 3.92Å; F748-I752 HydrophobicContact CE1-CD1 3.42Å; F748-I752 VanDerWaalsContact CE1-CD1 3.42Å; F748-I752 HydrophobicContact CE1-CG1 4.21Å; F748-I752 HydrophobicContact CZ-CD1 4.02Å; F748-I752 HydrophobicContact CZ-CG1 4.42Å; F748-I752 PolarHBondContact O-N 3.03Å |
| 749 | D | 92.1 | Very high | 88 | Confident | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.016 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.1 | -40.8 | 177.8 | -87.9 | -2.8 | 0 | 0 | 0 | 112.8 | Y685 R686 R735 L745 D746 Y747 R751 I752 E753 | Y685-D749 PolarHBondContact OH-OD1 3.03Å; R686-D749 VanDerWaalsContact CZ-CG 3.42Å; R686-D749 IonicContact CZ-OD1 2.82Å; R686-D749 IonicContact CZ-OD2 3.53Å; R686-D749 VanDerWaalsContact CZ-OD2 3.27Å; R686-D749 VanDerWaalsContact NE-CG 3.29Å; R686-D749 IonicContact NE-OD1 3.74Å; R686-D749 PolarHBondContact NE-OD1 3.01Å; R686-D749 IonicContact NE-OD2 3.8Å; R686-D749 PolarHBondContact NE-OD2 3.1Å; R686-D749 VanDerWaalsContact NE-OD2 3.12Å; R686-D749 VanDerWaalsContact NH2-CB 3.31Å; R686-D749 IonicContact NH2-OD1 3.06Å; R686-D749 IonicContact NH2-OD2 2.74Å; R686-D749 PolarHBondContact NH2-OD2 3.01Å; R735-D749 IonicContact CZ-OD2 2.72Å; R735-D749 IonicContact NH1-OD1 3.46Å; R735-D749 PolarHBondContact NH1-OD1 3.1Å; R735-D749 IonicContact NH1-OD2 2.73Å; R735-D749 PolarHBondContact NH1-OD2 2.98Å; R735-D749 IonicContact NH2-OD2 3.12Å; R735-D749 PolarHBondContact NH2-OD2 3.35Å; L745-D749 PolarHBondContact O-N 2.8Å; L745-D749 VanDerWaalsContact O-N 3.09Å; D746-D749 PolarHBondContact O-N 3.2Å; Y747-D749 PolarHBondContact O-N 2.89Å; D749-R751 PolarHBondContact O-N 3.09Å; D749-I752 WeakPolarHBondContact O-CA 3.4Å; D749-I752 WeakPolarHBondContact O-CB 3.1Å; D749-I752 PolarHBondContact O-N 2.84Å; D749-E753 PolarHBondContact O-N 3.39Å |
| 750 | N | 93.3 | Very high | 87.8 | Confident | 79 Ų | 79 | 53.8 Ų | 53.8 | 42% | 0.422 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.3 | -30.7 | 174.2 | -78.8 | -74 | 0 | 0 | 0 | 111.9 | D746 Y747 F748 L754 | D746-N750 PolarHBondContact O-N 3.23Å; D746-N750 PolarHBondContact O-ND2 3.14Å; Y747-N750 PolarHBondContact O-N 3.41Å; F748-N750 PolarHBondContact O-N 2.94Å; N750-L754 WeakPolarHBondContact O-CB 3.07Å; N750-L754 WeakPolarHBondContact O-CD1 3.44Å; N750-L754 VanDerWaalsContact O-CG 3.26Å; N750-L754 WeakPolarHBondContact O-CG 3.14Å; N750-L754 PolarHBondContact O-N 3.13Å; N750-L754 VanDerWaalsContact O-N 3.15Å |
| 751 | R | 93.2 | Very high | 87.7 | Confident | 59 Ų | 59 | 55.2 Ų | 55.2 | 22% | 0.223 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -72.3 | -33.8 | 172.3 | -50.8 | -61.3 | -81.3 | 127 | -10.1 | 112.3 | E672 L675 V679 Y747 F748 D749 L755 | E672-R751 IonicContact OE1-CZ 3.48Å; E672-R751 IonicContact OE1-NE 3.45Å; E672-R751 IonicContact OE1-NH2 2.64Å; E672-R751 PolarHBondContact OE1-NH2 3.48Å; E672-R751 IonicContact OE2-NH2 2.74Å; L675-R751 HydrophobicContact CD2-CG 4.26Å; V679-R751 HydrophobicContact CG1-CB 4.37Å; V679-R751 HydrophobicContact CG2-CB 3.6Å; V679-R751 HydrophobicContact CG2-CG 4.49Å; Y747-R751 HydrophobicContact CE1-CG 4.15Å; Y747-R751 WeakPolarHBondContact O-CG 3.47Å; Y747-R751 PolarHBondContact O-N 3.32Å; F748-R751 WeakPolarHBondContact O-CB 3.39Å; F748-R751 PolarHBondContact O-N 3.27Å; D749-R751 PolarHBondContact O-N 3.09Å; R751-L755 PolarHBondContact O-N 3.07Å |
| 752 | I | 94.9 | Very high | 86.5 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.1 | -47.2 | 172 | -69.7 | 168.7 | 0 | 0 | 0 | 110.7 | V679 K683 Y685 F748 D749 L754 L755 L756 | V679-I752 HydrophobicContact CG1-CB 4.49Å; V679-I752 HydrophobicContact CG1-CG1 3.87Å; K683-I752 HydrophobicContact CB-CG1 4.44Å; K683-I752 HydrophobicContact CB-CG2 4.07Å; Y685-I752 HydrophobicContact CD1-CD1 4.17Å; Y685-I752 HydrophobicContact CE1-CD1 3.74Å; F748-I752 HydrophobicContact CD1-CD1 3.92Å; F748-I752 HydrophobicContact CE1-CD1 3.42Å; F748-I752 VanDerWaalsContact CE1-CD1 3.42Å; F748-I752 HydrophobicContact CE1-CG1 4.21Å; F748-I752 HydrophobicContact CZ-CD1 4.02Å; F748-I752 HydrophobicContact CZ-CG1 4.42Å; F748-I752 PolarHBondContact O-N 3.03Å; D749-I752 WeakPolarHBondContact O-CA 3.4Å; D749-I752 WeakPolarHBondContact O-CB 3.1Å; D749-I752 PolarHBondContact O-N 2.84Å; I752-L754 PolarHBondContact O-N 2.82Å; I752-L755 WeakPolarHBondContact O-CB 3.45Å; I752-L755 PolarHBondContact O-N 3.06Å; I752-L755 VanDerWaalsContact O-N 3.1Å; I752-L756 HydrophobicContact CG2-CD1 3.84Å; I752-L756 HydrophobicContact CG2-CG 4.29Å; I752-L756 WeakPolarHBondContact O-CG 3Å; I752-L756 PolarHBondContact O-N 3.16Å |
| 753 | E | 92.8 | Very high | 84.4 | Confident | 71 Ų | 71 | 65.2 Ų | 65.2 | 33% | 0.332 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.3 | -42 | -178.7 | -70.3 | 178.8 | -150.9 | 0 | 0 | 111.4 | R686 D749 L755 L756 E757 | R686-E753 IonicContact CZ-OE1 3.29Å; R686-E753 IonicContact NH1-OE1 3.34Å; R686-E753 PolarHBondContact NH1-OE1 3.2Å; R686-E753 IonicContact NH2-OE1 2.68Å; R686-E753 PolarHBondContact NH2-OE1 2.95Å; D749-E753 PolarHBondContact O-N 3.39Å; E753-L755 VanDerWaalsContact C-N 3.33Å; E753-L755 PolarHBondContact O-N 3.41Å; E753-L756 PolarHBondContact O-N 3.41Å; E753-E757 PolarHBondContact O-N 3.16Å |
| 754 | L | 92.9 | Very high | 82.2 | Confident | 94 Ų | 94 | 66 Ų | 66 | 49% | 0.492 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.3 | -36.2 | 171.4 | -71.8 | 168.6 | 0 | 0 | 0 | 113.4 | N750 I752 S758 | N750-L754 WeakPolarHBondContact O-CB 3.07Å; N750-L754 WeakPolarHBondContact O-CD1 3.44Å; N750-L754 VanDerWaalsContact O-CG 3.26Å; N750-L754 WeakPolarHBondContact O-CG 3.14Å; N750-L754 PolarHBondContact O-N 3.13Å; N750-L754 VanDerWaalsContact O-N 3.15Å; I752-L754 PolarHBondContact O-N 2.82Å; L754-S758 PolarHBondContact O-N 3.41Å; L754-S758 VanDerWaalsContact O-N 3.11Å |
| 755 | L | 92.1 | Very high | 79.6 | Confident | 13 Ų | 13 | 73.3 Ų | 73.3 | 7% | 0.068 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.2 | -47.7 | 174.8 | 175.1 | 62.1 | 0 | 0 | 0 | 111.2 | V679 H680 K683 R751 I752 E753 E757 S758 E759 | V679-L755 HydrophobicContact CG1-CB 4.12Å; V679-L755 HydrophobicContact CG1-CD2 3.82Å; H680-L755 HydrophobicContact CB-CD2 4.45Å; H680-L755 VanDerWaalsContact CE1-CD1 3.5Å; H680-L755 WeakPolarHBondContact CE1-CD1 3.44Å; K683-L755 HydrophobicContact CD-CD2 4.31Å; R751-L755 PolarHBondContact O-N 3.07Å; I752-L755 WeakPolarHBondContact O-CB 3.45Å; I752-L755 PolarHBondContact O-N 3.06Å; I752-L755 VanDerWaalsContact O-N 3.1Å; E753-L755 VanDerWaalsContact C-N 3.33Å; E753-L755 PolarHBondContact O-N 3.41Å; L755-E757 VanDerWaalsContact C-N 3.33Å; L755-E757 PolarHBondContact O-N 3.45Å; L755-S758 WeakPolarHBondContact O-CA 3.3Å; L755-S758 PolarHBondContact O-N 3.49Å; L755-S758 PolarHBondContact O-OG 3.11Å; L755-E759 HydrophobicContact CD1-CG 4.18Å; L755-E759 PolarHBondContact O-N 2.94Å |
| 756 | L | 90.1 | Very high | 76.9 | Confident | 73 Ų | 73 | 79 Ų | 79 | 38% | 0.382 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.8 | -38.4 | 179.8 | -65.9 | 172.6 | 0 | 0 | 0 | 111.5 | K683 I752 E753 S758 E759 S760 | K683-L756 HydrophobicContact CD-CD2 4.35Å; I752-L756 HydrophobicContact CG2-CD1 3.84Å; I752-L756 HydrophobicContact CG2-CG 4.29Å; I752-L756 WeakPolarHBondContact O-CG 3Å; I752-L756 PolarHBondContact O-N 3.16Å; E753-L756 PolarHBondContact O-N 3.41Å; L756-S758 VanDerWaalsContact C-N 3.31Å; L756-S758 PolarHBondContact O-N 3.02Å; L756-E759 PolarHBondContact O-N 3.08Å; L756-S760 WeakPolarHBondContact O-CB 3.43Å; L756-S760 PolarHBondContact O-N 3.22Å; L756-S760 PolarHBondContact O-OG 2.93Å |
| 757 | E | 89 | Confident | 74.4 | Confident | 89 Ų | 89 | 83.6 Ų | 83.6 | 42% | 0.416 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -58.2 | -41.2 | 168.9 | -82.8 | -161.4 | -147.6 | 0 | 0 | 112.3 | E753 L755 S760 K761 | E753-E757 PolarHBondContact O-N 3.16Å; L755-E757 VanDerWaalsContact C-N 3.33Å; L755-E757 PolarHBondContact O-N 3.45Å; E757-S760 WeakPolarHBondContact CA-OG 3.41Å; E757-S760 PolarHBondContact O-OG 2.94Å; E757-K761 WeakPolarHBondContact O-CB 3.33Å; E757-K761 VanDerWaalsContact O-CD 3.31Å; E757-K761 WeakPolarHBondContact O-CD 3.5Å; E757-K761 VanDerWaalsContact O-CG 3.23Å; E757-K761 WeakPolarHBondContact O-CG 3.18Å; E757-K761 PolarHBondContact O-N 3.26Å; E757-K761 IonicContact OE2-NZ 3.9Å; E757-K761 PolarHBondContact OE2-NZ 3.35Å |
| 758 | S | 85.4 | Confident | 71.6 | Confident | 63 Ų | 63 | 86.8 Ų | 86.8 | 44% | 0.441 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -71.4 | -40.2 | 178.2 | 78 | 0 | 0 | 0 | 0 | 113.2 | L754 L755 L756 K761 S762 | L754-S758 PolarHBondContact O-N 3.41Å; L754-S758 VanDerWaalsContact O-N 3.11Å; L755-S758 WeakPolarHBondContact O-CA 3.3Å; L755-S758 PolarHBondContact O-N 3.49Å; L755-S758 PolarHBondContact O-OG 3.11Å; L756-S758 VanDerWaalsContact C-N 3.31Å; L756-S758 PolarHBondContact O-N 3.02Å; S758-K761 PolarHBondContact O-N 3.44Å; S758-S762 PolarHBondContact O-N 3.31Å |
| 759 | E | 82.9 | Confident | 68.5 | Low | 45 Ų | 45 | 93.4 Ų | 93.4 | 21% | 0.21 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -67.5 | -38.7 | 177.8 | -69.2 | -156.3 | 122.1 | 0 | 0 | 111.3 | K605 K683 L755 L756 S762 | K605-E759 IonicContact NZ-OE1 2.76Å; K605-E759 PolarHBondContact NZ-OE1 3.04Å; K683-E759 IonicContact NZ-OE2 2.77Å; K683-E759 PolarHBondContact NZ-OE2 3.22Å; L755-E759 HydrophobicContact CD1-CG 4.18Å; L755-E759 PolarHBondContact O-N 2.94Å; L756-E759 PolarHBondContact O-N 3.08Å; E759-S762 PolarHBondContact O-N 3.43Å; E759-S762 PolarHBondContact O-OG 3.45Å |
| 760 | S | 78.3 | Confident | 65.4 | Low | 78 Ų | 78 | 101.4 Ų | 101.4 | 55% | 0.545 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.3 | -42.5 | 175.7 | 51.7 | 0 | 0 | 0 | 0 | 113.3 | L756 E757 S762 R763 | L756-S760 WeakPolarHBondContact O-CB 3.43Å; L756-S760 PolarHBondContact O-N 3.22Å; L756-S760 PolarHBondContact O-OG 2.93Å; E757-S760 WeakPolarHBondContact CA-OG 3.41Å; E757-S760 PolarHBondContact O-OG 2.94Å; S760-S762 PolarHBondContact O-N 3.43Å; S760-R763 PolarHBondContact O-N 3.25Å |
| 761 | K | 73.5 | Confident | 62.2 | Low | 156 Ų | 156 | 105 Ų | 105 | 68% | 0.678 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.6 | -14.9 | 173.3 | -67.9 | 163.8 | -164.8 | 165.8 | 0 | 113.4 | E757 S758 | E757-K761 WeakPolarHBondContact O-CB 3.33Å; E757-K761 VanDerWaalsContact O-CD 3.31Å; E757-K761 WeakPolarHBondContact O-CD 3.5Å; E757-K761 VanDerWaalsContact O-CG 3.23Å; E757-K761 WeakPolarHBondContact O-CG 3.18Å; E757-K761 PolarHBondContact O-N 3.26Å; E757-K761 IonicContact OE2-NZ 3.9Å; E757-K761 PolarHBondContact OE2-NZ 3.35Å; S758-K761 PolarHBondContact O-N 3.44Å |
| 762 | S | 58.5 | Low | 59.2 | Low | 84 Ų | 84 | 112.4 Ų | 112.4 | 59% | 0.587 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | -7.6 | -178.7 | 77.6 | 0 | 0 | 0 | 0 | 115.5 | S758 E759 S760 | S758-S762 PolarHBondContact O-N 3.31Å; E759-S762 PolarHBondContact O-N 3.43Å; E759-S762 PolarHBondContact O-OG 3.45Å; S760-S762 PolarHBondContact O-N 3.43Å |
| 763 | R | 40.4 | Very low | 56 | Low | 209 Ų | 209 | 117.9 Ų | 117.9 | 79% | 0.789 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -89.9 | 118.7 | 174 | -77.7 | -172.7 | 173.2 | -173.2 | -1 | 110.3 | S760 | S760-R763 PolarHBondContact O-N 3.25Š|
| 764 | P | 33.9 | Very low | 52.7 | Low | 116 Ų | 116 | 126.1 Ų | 126.1 | 75% | 0.753 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 143.6 | 163.5 | 29.3 | -33.4 | 0 | 0 | 0 | 109.2 | P766 | P764-P766 WeakPolarHBondContact O-CD 3.17Š|
| 765 | H | 28.8 | Very low | 49.7 | Very low | 171 Ų | 171 | 128.5 Ų | 128.5 | 79% | 0.792 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 118.8 | 172.8 | -80 | -29.8 | 0 | 0 | 0 | 110.8 | ||
| 766 | P | 33.2 | Very low | 46.7 | Very low | 122 Ų | 122 | 134.2 Ų | 134.2 | 79% | 0.792 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 121.9 | 153.4 | 33.3 | -26.8 | 0 | 0 | 0 | 108.2 | P764 Q768 | P764-P766 WeakPolarHBondContact O-CD 3.17Å; P766-Q768 PolarHBondContact O-N 3.49Å |
| 767 | H | 34.8 | Very low | 43.8 | Very low | 154 Ų | 154 | 138.4 Ų | 138.4 | 71% | 0.713 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 119.6 | 171.9 | -95.9 | -104.1 | 0 | 0 | 0 | 110.7 | ||
| 768 | Q | 30.9 | Very low | 40.8 | Very low | 143 Ų | 143 | 138.4 Ų | 138.4 | 67% | 0.668 | 70% | 0.699 | S | S | * | * | trans | 79.3 | 145.2 | 144.3 | -82.1 | 172.4 | -76.8 | 0 | 0 | 122.4 | P766 | P766-Q768 PolarHBondContact O-N 3.49Š| ||
| 769 | H | 27.1 | Very low | 37.9 | Very low | 138 Ų | 138 | 143.6 Ų | 143.6 | 64% | 0.639 | 72% | 0.721 | S | S | * | * | trans | 51.5 | 120.8 | 161.1 | -57.4 | -59 | 0 | 0 | 0 | 118.7 | ||||
| 770 | L | 27.7 | Very low | 35.3 | Very low | 171 Ų | 171 | 147 Ų | 147 | 90% | 0.895 | 75% | 0.746 | S | S | * | * | -145.6 | 169.6 | 66.4 | -112.6 | 155 | 0 | 0 | 0 | 114.9 | |||||
| 771 | H | 26.6 | Very low | 32.8 | Very low | 155 Ų | 155 | 149.8 Ų | 149.8 | 72% | 0.718 | 76% | 0.76 | S | S | * | * | trans | -96.3 | 151.5 | -178.8 | -75.7 | -133.6 | 0 | 0 | 0 | 112.2 | ||||
| 772 | R | 28.7 | Very low | 30.5 | Very low | 214 Ų | 214 | 150.9 Ų | 150.9 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | -163.3 | 148.5 | 123.5 | -109.6 | 172.7 | -179 | -155.3 | -0.4 | 112.3 | E1606 | R772-E1606 IonicContact CZ-OE1 3.66Å; R772-E1606 IonicContact NH2-OE1 2.79Å; R772-E1606 PolarHBondContact NH2-OE1 2.99Å | |||
| 773 | S | 27.9 | Very low | 28.9 | Very low | 116 Ų | 116 | 151.6 Ų | 151.6 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | trans | 54.5 | 81.1 | 165.3 | -150.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 774 | R | 23.9 | Very low | 28.4 | Very low | 245 Ų | 245 | 148.4 Ų | 148.4 | 93% | 0.925 | 77% | 0.773 | S | S | * | * | trans | -136.1 | 101.4 | 139.7 | -124.9 | -176.8 | -177.1 | 173.9 | 1.9 | 109.1 | ||||
| 775 | N | 30.2 | Very low | 28 | Very low | 144 Ų | 144 | 150.1 Ų | 150.1 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | trans | -155.6 | 141.1 | 177.6 | -99 | -23.2 | 0 | 0 | 0 | 108.2 | ||||
| 776 | N | 28.9 | Very low | 27.8 | Very low | 133 Ų | 133 | 151 Ų | 151 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | cis | -163.3 | -161.3 | -22.5 | -145.7 | -38.2 | 0 | 0 | 0 | 108.9 | ||||
| 777 | I | 29.1 | Very low | 27.4 | Very low | 160 Ų | 160 | 151 Ų | 151 | 82% | 0.821 | 77% | 0.774 | S | S | * | * | trans | 84 | 114.1 | 170.3 | -50.2 | 173.8 | 0 | 0 | 0 | 113.6 | ||||
| 778 | S | 26.4 | Very low | 27 | Very low | 89 Ų | 89 | 151.3 Ų | 151.3 | 62% | 0.622 | 78% | 0.779 | S | S | * | * | cis | -149.7 | 142.2 | -12.7 | -167.8 | 0 | 0 | 0 | 0 | 112.6 | T780 | S778-T780 PolarHBondContact OG-OG1 3.12Š| ||
| 779 | L | 23.7 | Very low | 26.8 | Very low | 172 Ų | 172 | 153.3 Ų | 153.3 | 90% | 0.901 | 79% | 0.786 | S | S | * | * | trans | -116.6 | 126.3 | 154.3 | -102.9 | 166.5 | 0 | 0 | 0 | 107.2 | ||||
| 780 | T | 28 | Very low | 26.7 | Very low | 117 Ų | 117 | 158.3 Ų | 158.3 | 72% | 0.718 | 80% | 0.799 | S | S | * | * | trans | -147.6 | 92.9 | 171.9 | -50.6 | 0 | 0 | 0 | 0 | 110.7 | S778 | S778-T780 PolarHBondContact OG-OG1 3.12Š| ||
| 781 | T | 26.8 | Very low | 26.5 | Very low | 137 Ų | 137 | 156 Ų | 156 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | -162.9 | 125.5 | 112.1 | -70.3 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 782 | M | 24.3 | Very low | 26.4 | Very low | 178 Ų | 178 | 152.9 Ų | 152.9 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | trans | -149.6 | 134.4 | 174.1 | -168.5 | -170.8 | -164.1 | 0 | 0 | 108.3 | ||||
| 783 | S | 25.5 | Very low | 26.2 | Very low | 99 Ų | 99 | 147.8 Ų | 147.8 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | trans | 160.3 | 130.8 | 138.6 | -75.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 784 | N | 29.2 | Very low | 26 | Very low | 142 Ų | 142 | 147.8 Ų | 147.8 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | 167.8 | 141.8 | 118.9 | -81.8 | -17.2 | 0 | 0 | 0 | 109.2 | |||||
| 785 | I | 26.5 | Very low | 26.1 | Very low | 152 Ų | 152 | 142.3 Ų | 142.3 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | cis | -155.4 | 159.4 | -17.5 | -120.1 | 162.6 | 0 | 0 | 0 | 106.3 | ||||
| 786 | F | 23.9 | Very low | 25.9 | Very low | 190 Ų | 190 | 144.2 Ų | 144.2 | 83% | 0.833 | 80% | 0.798 | S | S | * | * | trans | -108 | 158.2 | 178.4 | -128.7 | -80.1 | 0 | 0 | 0 | 112.6 | ||||
| 787 | T | 25.7 | Very low | 25.6 | Very low | 123 Ų | 123 | 145.4 Ų | 145.4 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | 90.9 | 117.5 | 164 | 72.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 788 | I | 26.9 | Very low | 25.4 | Very low | 159 Ų | 159 | 144.1 Ų | 144.1 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | trans | -137.6 | 119 | 131.8 | -64.9 | -172.6 | 0 | 0 | 0 | 108.1 | ||||
| 789 | K | 25.8 | Very low | 25.3 | Very low | 186 Ų | 186 | 147.1 Ų | 147.1 | 81% | 0.809 | 80% | 0.798 | S | S | * | * | trans | 36.4 | 138.4 | 152.3 | -55.1 | 179 | -178.6 | 176.7 | 0 | 120.5 | ||||
| 790 | R | 24.6 | Very low | 25.4 | Very low | 242 Ų | 242 | 143.2 Ų | 143.2 | 91% | 0.913 | 79% | 0.785 | S | S | * | * | 51.9 | 138.9 | 65.8 | -80.2 | -173.7 | 176.3 | 178.7 | -0.6 | 113.1 | |||||
| 791 | S | 25 | Very low | 25.4 | Very low | 122 Ų | 122 | 142.5 Ų | 142.5 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | cis | -161.2 | -166 | 8.3 | 35.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 792 | A | 24 | Very low | 25.4 | Very low | 90 Ų | 90 | 141.5 Ų | 141.5 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | trans | -101.1 | 174.9 | -162.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 793 | S | 24 | Very low | 25.5 | Very low | 107 Ų | 107 | 139 Ų | 139 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | 65.7 | 100.7 | 153.8 | 62.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 794 | S | 24.7 | Very low | 25.6 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | 44.7 | 129.5 | 125.7 | 64.7 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 795 | S | 24.2 | Very low | 25.7 | Very low | 130 Ų | 130 | 140.2 Ų | 140.2 | 91% | 0.909 | 76% | 0.763 | S | S | * | * | trans | -158.8 | 164.9 | 135 | 60 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 796 | H | 26.2 | Very low | 25.9 | Very low | 185 Ų | 185 | 139 Ų | 139 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | trans | -117.9 | 147.8 | -164.3 | -129.3 | -66.9 | 0 | 0 | 0 | 113.5 | ||||
| 797 | E | 23.7 | Very low | 26.1 | Very low | 158 Ų | 158 | 135 Ų | 135 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | trans | -150.2 | 153.7 | 152.9 | -74.3 | -150 | 118.6 | 0 | 0 | 107.3 | ||||
| 798 | Q | 24.9 | Very low | 26.2 | Very low | 133 Ų | 133 | 136 Ų | 136 | 62% | 0.621 | 76% | 0.755 | S | S | * | * | cis | -158.9 | 150.3 | -8.5 | -118.4 | -173.9 | 41.4 | 0 | 0 | 108.5 | ||||
| 799 | L | 24.7 | Very low | 26.4 | Very low | 151 Ų | 151 | 132.9 Ų | 132.9 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | trans | 62.8 | 151.5 | 155.9 | -61.1 | 165.9 | 0 | 0 | 0 | 118.9 | ||||
| 800 | S | 25.8 | Very low | 26.5 | Very low | 90 Ų | 90 | 129 Ų | 129 | 63% | 0.629 | 74% | 0.744 | S | S | * | * | cis | -168.9 | 148.3 | -13.7 | 49.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 801 | S | 26.4 | Very low | 26.7 | Very low | 102 Ų | 102 | 122.7 Ų | 122.7 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | trans | 66.8 | 152.4 | 150.7 | 72.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 802 | T | 26.8 | Very low | 26.9 | Very low | 116 Ų | 116 | 123.5 Ų | 123.5 | 71% | 0.712 | 73% | 0.731 | S | S | * | * | cis | -171.2 | 155.9 | -30.7 | 35.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 803 | N | 28 | Very low | 27.1 | Very low | 127 Ų | 127 | 125.7 Ų | 125.7 | 68% | 0.679 | 73% | 0.73 | S | S | * | * | trans | 80.8 | 124.1 | 146.9 | -66.9 | -7.9 | 0 | 0 | 0 | 123.5 | ||||
| 804 | N | 27.4 | Very low | 27.1 | Very low | 121 Ų | 121 | 128.5 Ų | 128.5 | 65% | 0.647 | 73% | 0.731 | S | S | * | * | trans | 75.8 | 148.6 | 133.7 | -65.7 | 9.9 | 0 | 0 | 0 | 120.1 | ||||
| 805 | H | 31.2 | Very low | 27.1 | Very low | 144 Ų | 144 | 129.8 Ų | 129.8 | 67% | 0.667 | 73% | 0.728 | S | S | * | * | cis | -147.3 | 147.1 | 11 | -110.4 | -46.5 | 0 | 0 | 0 | 114.1 | ||||
| 806 | N | 29.6 | Very low | 27.1 | Very low | 126 Ų | 126 | 128.7 Ų | 128.7 | 67% | 0.674 | 72% | 0.721 | S | S | * | * | trans | 57.1 | 117.5 | 137 | -62.3 | 2.1 | 0 | 0 | 0 | 124.4 | ||||
| 807 | S | 29 | Very low | 27 | Very low | 106 Ų | 106 | 129.4 Ų | 129.4 | 74% | 0.741 | 72% | 0.717 | S | S | * | * | 71.9 | 155.6 | 120.4 | 86.4 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 808 | N | 28.2 | Very low | 27.1 | Very low | 145 Ų | 145 | 126.2 Ų | 126.2 | 78% | 0.775 | 71% | 0.708 | S | S | * | * | cis | -152.1 | 173.7 | 14.3 | -147.7 | -1.3 | 0 | 0 | 0 | 115.6 | ||||
| 809 | S | 29.3 | Very low | 27 | Very low | 93 Ų | 93 | 125.2 Ų | 125.2 | 65% | 0.65 | 71% | 0.707 | S | S | * | * | trans | 65.5 | 92 | 155.8 | 52.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 810 | S | 28.2 | Very low | 26.9 | Very low | 106 Ų | 106 | 125.1 Ų | 125.1 | 74% | 0.741 | 70% | 0.703 | S | S | * | * | 86.8 | 129.1 | 109.2 | 68.2 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 811 | S | 29.9 | Very low | 26.9 | Very low | 108 Ų | 108 | 126.8 Ų | 126.8 | 76% | 0.755 | 70% | 0.704 | S | S | * | * | trans | 77.1 | 141.5 | 154.5 | 77.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 812 | N | 28.1 | Very low | 26.8 | Very low | 139 Ų | 139 | 127.4 Ų | 127.4 | 74% | 0.743 | 70% | 0.7 | S | S | * | * | cis | -164.6 | 154 | -32.8 | -116.2 | 5.6 | 0 | 0 | 0 | 109.6 | ||||
| 813 | N | 28.9 | Very low | 27 | Very low | 136 Ų | 136 | 129.3 Ų | 129.3 | 73% | 0.727 | 70% | 0.7 | S | S | * | * | trans | 57.2 | 115.3 | 160.3 | -57.5 | -6.2 | 0 | 0 | 0 | 117.3 | ||||
| 814 | H | 24.5 | Very low | 26.8 | Very low | 167 Ų | 167 | 127.1 Ų | 127.1 | 77% | 0.773 | 70% | 0.695 | S | S | * | * | cis | 71 | 134.5 | 36.9 | -154.5 | -56.6 | 0 | 0 | 0 | 113.2 | ||||
| 815 | L | 23.4 | Very low | 26.7 | Very low | 142 Ų | 142 | 128.9 Ų | 128.9 | 74% | 0.743 | 70% | 0.699 | S | S | * | * | trans | 67.8 | 145.7 | -169.8 | -60.1 | 109.6 | 0 | 0 | 0 | 112.8 | ||||
| 816 | S | 24.7 | Very low | 26.4 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 76% | 0.755 | 70% | 0.703 | S | S | * | * | cis | -161.9 | 163.6 | 3.5 | 24.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 817 | Y | 23.3 | Very low | 26.3 | Very low | 199 Ų | 199 | 132.5 Ų | 132.5 | 78% | 0.78 | 71% | 0.708 | S | S | * | * | cis | 176 | 166.1 | -19.2 | -178.8 | -136.4 | 0 | 0 | 0 | 105.9 | ||||
| 818 | V | 26 | Very low | 26.1 | Very low | 92 Ų | 92 | 132.2 Ų | 132.2 | 56% | 0.558 | 71% | 0.706 | S | S | * | * | trans | 63.2 | 103.3 | 170 | 159 | 0 | 0 | 0 | 0 | 115 | ||||
| 819 | D | 22.8 | Very low | 25.9 | Very low | 111 Ų | 111 | 131.3 Ų | 131.3 | 59% | 0.594 | 71% | 0.706 | S | S | * | * | 73.3 | 153.6 | 63.4 | -60.3 | -33.4 | 0 | 0 | 0 | 114.1 | |||||
| 820 | H | 23.9 | Very low | 25.7 | Very low | 150 Ų | 150 | 131.6 Ų | 131.6 | 69% | 0.694 | 71% | 0.707 | S | S | * | * | trans | 14.8 | 143.2 | 135.9 | -41.6 | -56.8 | 0 | 0 | 0 | 118.3 | ||||
| 821 | N | 24.6 | Very low | 25.6 | Very low | 125 Ų | 125 | 131.2 Ų | 131.2 | 67% | 0.668 | 71% | 0.705 | S | S | * | * | -169.3 | 155.9 | 61.5 | -116.6 | -39.5 | 0 | 0 | 0 | 116.3 | |||||
| 822 | N | 26 | Very low | 25.4 | Very low | 115 Ų | 115 | 133.2 Ų | 133.2 | 62% | 0.615 | 71% | 0.707 | S | S | * | * | trans | 73.5 | 125.1 | 138.1 | -72.7 | -15.4 | 0 | 0 | 0 | 123.1 | ||||
| 823 | H | 29.6 | Very low | 25.3 | Very low | 155 Ų | 155 | 131 Ų | 131 | 72% | 0.718 | 71% | 0.708 | S | S | * | * | 72.5 | 91.3 | 127.9 | -68.1 | -53.2 | 0 | 0 | 0 | 120 | |||||
| 824 | S | 24.2 | Very low | 25.1 | Very low | 81 Ų | 81 | 129.5 Ų | 129.5 | 57% | 0.566 | 71% | 0.708 | S | S | * | * | 88.9 | 150.3 | 99.2 | 71 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 825 | E | 25.9 | Very low | 25.4 | Very low | 159 Ų | 159 | 128.3 Ų | 128.3 | 74% | 0.743 | 71% | 0.706 | S | S | * | * | trans | 68.3 | 95.2 | 154.5 | -73.6 | 142.2 | -124.3 | 0 | 0 | 118.4 | ||||
| 826 | D | 23.8 | Very low | 25.5 | Very low | 140 Ų | 140 | 129.9 Ų | 129.9 | 75% | 0.749 | 71% | 0.707 | S | S | * | * | 95.7 | 150.1 | 113.1 | -78 | 20.4 | 0 | 0 | 0 | 123.1 | |||||
| 827 | R | 28.2 | Very low | 25.5 | Very low | 205 Ų | 205 | 129.4 Ų | 129.4 | 77% | 0.774 | 70% | 0.696 | S | S | * | * | trans | 66 | 79.4 | 155.7 | -72.6 | 168.3 | -178.8 | -128.9 | -10.2 | 119.7 | ||||
| 828 | S | 24.5 | Very low | 25.7 | Very low | 101 Ų | 101 | 127.6 Ų | 127.6 | 71% | 0.706 | 69% | 0.692 | S | S | * | * | 49.6 | 160.4 | 103.7 | 68.2 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 829 | V | 25.1 | Very low | 25.7 | Very low | 126 Ų | 126 | 127.1 Ų | 127.1 | 76% | 0.764 | 69% | 0.693 | S | S | * | * | trans | 85.9 | 88 | 160.1 | -168.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 830 | S | 25.1 | Very low | 26 | Very low | 98 Ų | 98 | 128.4 Ų | 128.4 | 69% | 0.685 | 70% | 0.7 | S | S | * | * | trans | 34.8 | 130.6 | 133.2 | 74.4 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 831 | S | 25.6 | Very low | 26.2 | Very low | 98 Ų | 98 | 129.7 Ų | 129.7 | 69% | 0.685 | 71% | 0.706 | S | S | * | * | 103.2 | 130 | 123.9 | 80.4 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 832 | N | 24.6 | Very low | 26.3 | Very low | 151 Ų | 151 | 128.4 Ų | 128.4 | 81% | 0.807 | 71% | 0.707 | S | S | * | * | trans | 62.9 | 105.6 | 139.5 | -64.3 | -15.1 | 0 | 0 | 0 | 122.2 | ||||
| 833 | A | 26.1 | Very low | 26.4 | Very low | 92 Ų | 92 | 128.5 Ų | 128.5 | 76% | 0.76 | 71% | 0.711 | S | S | * | * | 81.7 | 101.2 | 117.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 834 | S | 26 | Very low | 26.4 | Very low | 104 Ų | 104 | 127.5 Ų | 127.5 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | 97.7 | 125.1 | 110.2 | -161.7 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 835 | I | 30 | Very low | 26.4 | Very low | 142 Ų | 142 | 127.8 Ų | 127.8 | 73% | 0.728 | 71% | 0.713 | S | S | * | * | trans | 87.4 | 113.9 | 143.7 | -85.4 | 170 | 0 | 0 | 0 | 119.9 | ||||
| 836 | K | 25.6 | Very low | 26.4 | Very low | 175 Ų | 175 | 128 Ų | 128 | 76% | 0.761 | 72% | 0.715 | S | S | * | * | trans | 73.1 | 158 | 146.1 | -76.7 | -175.5 | 171.6 | -162.4 | 0 | 119 | ||||
| 837 | D | 24.8 | Very low | 26.6 | Very low | 98 Ų | 98 | 127.6 Ų | 127.6 | 52% | 0.524 | 72% | 0.717 | S | S | . | * | cis | -151.9 | 163.7 | 10.3 | -138.5 | 9 | 0 | 0 | 0 | 112.1 | ||||
| 838 | K | 28.2 | Very low | 26.3 | Very low | 162 Ų | 162 | 122.4 Ų | 122.4 | 70% | 0.704 | 71% | 0.712 | S | S | * | * | trans | 69.2 | 155.1 | 151 | -71.7 | 162 | -174 | 151.7 | 0 | 120.3 | ||||
| 839 | S | 25.5 | Very low | 26.4 | Very low | 82 Ų | 82 | 122 Ų | 122 | 57% | 0.573 | 71% | 0.709 | S | S | * | * | cis | -166.6 | 176.4 | -21.1 | 47.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 840 | D | 28.4 | Very low | 26.4 | Very low | 138 Ų | 138 | 122.9 Ų | 122.9 | 74% | 0.738 | 71% | 0.71 | S | S | * | * | trans | 75.7 | 143.4 | 158.4 | -43.8 | -43.5 | 0 | 0 | 0 | 117.4 | ||||
| 841 | E | 28.8 | Very low | 26.2 | Very low | 176 Ų | 176 | 126.3 Ų | 126.3 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | cis | -150.2 | 179 | -1 | -135.9 | 174.7 | 179.9 | 0 | 0 | 113.3 | ||||
| 842 | S | 26.5 | Very low | 26.2 | Very low | 98 Ų | 98 | 125.1 Ų | 125.1 | 69% | 0.685 | 72% | 0.723 | S | S | * | * | trans | -47.3 | 169.8 | -178.9 | 62.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 843 | T | 29 | Very low | 26.1 | Very low | 117 Ų | 117 | 125.8 Ų | 125.8 | 72% | 0.718 | 73% | 0.725 | S | S | * | * | cis | -123.9 | -147.8 | 16.2 | 50.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 844 | D | 27.7 | Very low | 25.9 | Very low | 134 Ų | 134 | 128.6 Ų | 128.6 | 72% | 0.717 | 73% | 0.726 | S | S | * | * | cis | -158 | -148.6 | 6.3 | -143.5 | -69.4 | 0 | 0 | 0 | 114.1 | ||||
| 845 | S | 25.6 | Very low | 26.5 | Very low | 87 Ų | 87 | 128.2 Ų | 128.2 | 61% | 0.608 | 72% | 0.722 | S | S | * | * | trans | -137.3 | 177.8 | -168.5 | 67 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 846 | Q | 25.9 | Very low | 26.3 | Very low | 165 Ų | 165 | 127.9 Ų | 127.9 | 77% | 0.771 | 72% | 0.722 | S | S | * | * | cis | -167.3 | 165.4 | 4.5 | -141.5 | -177.6 | 56.3 | 0 | 0 | 109.5 | ||||
| 847 | V | 27.2 | Very low | 26.5 | Very low | 131 Ų | 131 | 125.5 Ų | 125.5 | 79% | 0.794 | 72% | 0.717 | S | S | * | * | trans | 66.3 | 155.3 | 156.8 | 173.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 848 | S | 21.9 | Very low | 26.6 | Very low | 95 Ų | 95 | 127.3 Ų | 127.3 | 66% | 0.664 | 73% | 0.727 | S | S | * | * | cis | -172.9 | 161.9 | -37 | -176.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 849 | S | 26.3 | Very low | 26.6 | Very low | 94 Ų | 94 | 126.7 Ų | 126.7 | 66% | 0.657 | 73% | 0.731 | S | S | * | * | trans | 62 | 110 | 152.5 | 45.9 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 850 | D | 25.1 | Very low | 26.4 | Very low | 144 Ų | 144 | 129.5 Ų | 129.5 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | 64.3 | 115.9 | 118.6 | -55.7 | -26.1 | 0 | 0 | 0 | 126 | |||||
| 851 | L | 22.3 | Very low | 26.3 | Very low | 170 Ų | 170 | 128.8 Ų | 128.8 | 89% | 0.89 | 75% | 0.745 | S | S | * | * | 69 | 110.5 | 127.4 | -67.1 | 168.9 | 0 | 0 | 0 | 124.1 | |||||
| 852 | G | 23.8 | Very low | 26 | Very low | 73 Ų | 73 | 126.8 Ų | 126.8 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | trans | 90.7 | 153.5 | 144.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 853 | L | 24.1 | Very low | 26 | Very low | 165 Ų | 165 | 129.1 Ų | 129.1 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | cis | -153.2 | 177.4 | -7.4 | -100.3 | 173.1 | 0 | 0 | 0 | 110.1 | ||||
| 854 | L | 22.2 | Very low | 25.7 | Very low | 150 Ų | 150 | 129.5 Ų | 129.5 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | -67.1 | 175.3 | -176.6 | -74.9 | 95.1 | 0 | 0 | 0 | 116 | ||||
| 855 | P | 37.4 | Very low | 25.7 | Very low | 97 Ų | 97 | 131.1 Ų | 131.1 | 63% | 0.63 | 76% | 0.757 | S | S | * | * | cis | -142 | -163.5 | -37.1 | 39.8 | -20.7 | 0 | 0 | 0 | 114.4 | ||||
| 856 | N | 27 | Very low | 25.6 | Very low | 135 Ų | 135 | 131.5 Ų | 131.5 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | trans | 76.2 | 144.9 | 161.5 | -65.1 | -7.2 | 0 | 0 | 0 | 117.8 | ||||
| 857 | N | 28 | Very low | 25.6 | Very low | 124 Ų | 124 | 129 Ų | 129 | 66% | 0.663 | 76% | 0.758 | S | S | * | * | cis | -171 | 166.7 | -23 | -112.8 | 3.5 | 0 | 0 | 0 | 108.5 | ||||
| 858 | N | 26.9 | Very low | 25.7 | Very low | 136 Ų | 136 | 129 Ų | 129 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | cis | -112.4 | -118.7 | -0.2 | -56.2 | -88.3 | 0 | 0 | 0 | 109.4 | ||||
| 859 | N | 28.5 | Very low | 25.9 | Very low | 150 Ų | 150 | 129.8 Ų | 129.8 | 80% | 0.802 | 77% | 0.765 | S | S | * | * | cis | -152.5 | 176.3 | -1.6 | -158.4 | 8.3 | 0 | 0 | 0 | 111.8 | ||||
| 860 | L | 22.6 | Very low | 25.8 | Very low | 141 Ų | 141 | 137.2 Ų | 137.2 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | trans | -81.6 | 137 | -168.6 | -69.7 | 155 | 0 | 0 | 0 | 116.5 | ||||
| 861 | S | 26.1 | Very low | 25.9 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | -166.2 | 167.2 | 105.5 | 45.5 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 862 | I | 21.8 | Very low | 25.8 | Very low | 135 Ų | 135 | 134.1 Ų | 134.1 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | trans | -119.8 | 140.5 | -156.8 | -65.3 | 166.2 | 0 | 0 | 0 | 111.9 | ||||
| 863 | T | 27.3 | Very low | 25.9 | Very low | 146 Ų | 146 | 136.6 Ų | 136.6 | 90% | 0.896 | 78% | 0.777 | S | S | * | * | trans | -146 | 162.6 | 162.4 | 7.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 864 | V | 21.5 | Very low | 25.9 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 76% | 0.758 | 77% | 0.77 | S | S | * | * | trans | -125.7 | 128 | -156.3 | 175.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 865 | I | 28.8 | Very low | 25.9 | Very low | 168 Ų | 168 | 137.7 Ų | 137.7 | 86% | 0.862 | 77% | 0.771 | S | S | * | * | trans | -139 | 143 | 156.7 | -62.5 | -173.5 | 0 | 0 | 0 | 110.2 | ||||
| 866 | S | 22.6 | Very low | 25.3 | Very low | 96 Ų | 96 | 138.9 Ų | 138.9 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 157.5 | -163.5 | -30 | 0 | 0 | 0 | 0 | 117.7 | ||
| 867 | P | 25.8 | Very low | 25.1 | Very low | 111 Ų | 111 | 138.8 Ų | 138.8 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 157.2 | 137.3 | 35.7 | -30.7 | 0 | 0 | 0 | 111 | ||
| 868 | P | 30.5 | Very low | 24.9 | Very low | 132 Ų | 132 | 139.1 Ų | 139.1 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 139.9 | -168.2 | 29.3 | -35.5 | 0 | 0 | 0 | 114.9 | ||
| 869 | C | 25.4 | Very low | 25 | Very low | 112 Ų | 112 | 137.9 Ų | 137.9 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 154.8 | -177.5 | -52.8 | 0 | 0 | 0 | 0 | 114 | ||
| 870 | W | 23.5 | Very low | 24.7 | Very low | 250 Ų | 250 | 139.5 Ų | 139.5 | 95% | 0.947 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 140.3 | 142.6 | -81 | 36 | 0 | 0 | 0 | 108.2 | ||
| 871 | P | 26.9 | Very low | 24.8 | Very low | 121 Ų | 121 | 141 Ų | 141 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 138.1 | -178.5 | 32.4 | -33.6 | 0 | 0 | 0 | 112.8 | ||
| 872 | V | 22 | Very low | 24.8 | Very low | 127 Ų | 127 | 144.2 Ų | 144.2 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | trans | -133.5 | 125.1 | 158.8 | 177.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 873 | P | 26.1 | Very low | 25 | Very low | 126 Ų | 126 | 145.4 Ų | 145.4 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -81.5 | 134.3 | 167.1 | -11 | 28.7 | 0 | 0 | 0 | 111 | ||||
| 874 | E | 22.8 | Very low | 24.8 | Very low | 154 Ų | 154 | 146.7 Ų | 146.7 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | trans | -103.9 | -172.2 | 174.9 | -71.9 | -170 | 117.5 | 0 | 0 | 112.5 | ||||
| 875 | F | 23.3 | Very low | 24.8 | Very low | 184 Ų | 184 | 147.1 Ų | 147.1 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | trans | 81.5 | 137.3 | 168.8 | -54.2 | -75.8 | 0 | 0 | 0 | 115.9 | ||||
| 876 | V | 24.6 | Very low | 24.6 | Very low | 122 Ų | 122 | 149.7 Ų | 149.7 | 74% | 0.739 | 79% | 0.793 | S | S | * | * | cis | -138.1 | 136.2 | 12.4 | 176.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 877 | D | 22.6 | Very low | 24.6 | Very low | 132 Ų | 132 | 152.4 Ų | 152.4 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | trans | 23.3 | 142.1 | 151.9 | -57.5 | -38.1 | 0 | 0 | 0 | 127.2 | ||||
| 878 | T | 23.7 | Very low | 24.7 | Very low | 132 Ų | 132 | 156.4 Ų | 156.4 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | 72.4 | 152.3 | 150.2 | 66.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 879 | P | 28.1 | Very low | 24.5 | Very low | 110 Ų | 110 | 158.4 Ų | 158.4 | 71% | 0.714 | 80% | 0.804 | S | S | * | * | -127.2 | -172.8 | -57.1 | 36 | -20.3 | 0 | 0 | 0 | 111.6 | |||||
| 880 | Q | 23.2 | Very low | 24.6 | Very low | 184 Ų | 184 | 162.6 Ų | 162.6 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | 75.4 | 91.3 | 176.5 | -52.1 | -179.1 | -7.6 | 0 | 0 | 117.8 | ||||
| 881 | L | 24.5 | Very low | 24.6 | Very low | 173 Ų | 173 | 155.7 Ų | 155.7 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | -167.8 | 136.1 | 125 | -109.4 | 163.7 | 0 | 0 | 0 | 110.8 | H883 | L881-H883 PolarHBondContact O-N 3.23Å; L881-H883 VanDerWaalsContact O-N 3.16Å | |||
| 882 | Q | 25.3 | Very low | 24.6 | Very low | 189 Ų | 189 | 157.1 Ų | 157.1 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -82 | 97.6 | -177.5 | -78.4 | -177.2 | -40.6 | 0 | 0 | 112.3 | ||||
| 883 | H | 26.1 | Very low | 24.7 | Very low | 160 Ų | 160 | 154.5 Ų | 154.5 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | 26.2 | 97.3 | 144.5 | -79.1 | -85.7 | 0 | 0 | 0 | 118.6 | L881 L885 | L881-H883 PolarHBondContact O-N 3.23Å; L881-H883 VanDerWaalsContact O-N 3.16Å; H883-L885 PolarHBondContact O-N 3.21Å | ||
| 884 | L | 23.4 | Very low | 24.6 | Very low | 173 Ų | 173 | 157.6 Ų | 157.6 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | 0.6 | 100.3 | 108.9 | -83.4 | 155.8 | 0 | 0 | 0 | 114.6 | |||||
| 885 | L | 22.2 | Very low | 24.6 | Very low | 134 Ų | 134 | 158.9 Ų | 158.9 | 70% | 0.702 | 80% | 0.799 | S | S | * | * | trans | -160.3 | 108.8 | 165.7 | -114.5 | 173 | 0 | 0 | 0 | 109.6 | H883 | H883-L885 PolarHBondContact O-N 3.21Š| ||
| 886 | W | 23.2 | Very low | 24.7 | Very low | 222 Ų | 222 | 155.9 Ų | 155.9 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | trans | 167.9 | 60.9 | 141 | -94.3 | 39.1 | 0 | 0 | 0 | 112.6 | ||||
| 887 | T | 24.6 | Very low | 24.7 | Very low | 152 Ų | 152 | 155.9 Ų | 155.9 | 93% | 0.933 | 80% | 0.798 | S | S | * | * | trans | -113.5 | 83 | 148.7 | 44.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 888 | R | 26.2 | Very low | 25 | Very low | 196 Ų | 196 | 157.2 Ų | 157.2 | 74% | 0.74 | 81% | 0.805 | S | S | * | * | trans | -130.9 | 83 | 177.1 | -162.1 | 174.7 | -165.6 | 168.6 | 6.6 | 110.8 | ||||
| 889 | E | 26 | Very low | 25.2 | Very low | 173 Ų | 173 | 157.2 Ų | 157.2 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | trans | -49.7 | 138.3 | 154.4 | -61.9 | -178.1 | 148.9 | 0 | 0 | 108.9 | S891 | E889-S891 PolarHBondContact O-N 3.38Š| ||
| 890 | Y | 27.6 | Very low | 25.3 | Very low | 201 Ų | 201 | 159.3 Ų | 159.3 | 79% | 0.788 | 80% | 0.804 | S | S | * | * | trans | -77.8 | 73.5 | 178.7 | -100.5 | -91.9 | 0 | 0 | 0 | 111.3 | L892 | Y890-L892 HydrophobicContact CD1-CD1 4.01Å; Y890-L892 HydrophobicContact CD1-CG 4.34Å; Y890-L892 PolarHBondContact O-N 3.34Å | ||
| 891 | S | 24 | Very low | 25.4 | Very low | 104 Ų | 104 | 154.7 Ų | 154.7 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -64.1 | 97.5 | 162.9 | 50.2 | 0 | 0 | 0 | 0 | 110.2 | E889 | E889-S891 PolarHBondContact O-N 3.38Š| ||
| 892 | L | 27.2 | Very low | 25.6 | Very low | 151 Ų | 151 | 155.4 Ų | 155.4 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | -124.4 | 105.5 | 168.3 | -77 | 173.4 | 0 | 0 | 0 | 108.7 | Y890 | Y890-L892 HydrophobicContact CD1-CD1 4.01Å; Y890-L892 HydrophobicContact CD1-CG 4.34Å; Y890-L892 PolarHBondContact O-N 3.34Å | ||
| 893 | G | 23.9 | Very low | 25.8 | Very low | 72 Ų | 72 | 152.9 Ų | 152.9 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 167.8 | -16 | 176.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||
| 894 | F | 24.5 | Very low | 25.9 | Very low | 191 Ų | 191 | 150.8 Ų | 150.8 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | trans | -140.8 | 120.4 | 174.4 | -110.4 | -83.3 | 0 | 0 | 0 | 113.2 | ||||
| 895 | F | 21.8 | Very low | 26.1 | Very low | 181 Ų | 181 | 149.4 Ų | 149.4 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | trans | -78.8 | 131.2 | 162.7 | -78.2 | -108.7 | 0 | 0 | 0 | 108.9 | T897 | F895-T897 PolarHBondContact O-N 3.28Š| ||
| 896 | P | 26.2 | Very low | 26.4 | Very low | 122 Ų | 122 | 149.8 Ų | 149.8 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | trans | -75.4 | 109.9 | 156 | 30.4 | -28.9 | 0 | 0 | 0 | 108.4 | N898 | P896-N898 PolarHBondContact O-N 2.67Å; P896-N898 VanDerWaalsContact O-N 3.16Å | ||
| 897 | T | 24.3 | Very low | 26.6 | Very low | 121 Ų | 121 | 145.2 Ų | 145.2 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | trans | -75.2 | 101.3 | 175.9 | 48.9 | 0 | 0 | 0 | 0 | 110.7 | F895 | F895-T897 PolarHBondContact O-N 3.28Š| ||
| 898 | N | 29.6 | Very low | 26.5 | Very low | 160 Ų | 160 | 142 Ų | 142 | 86% | 0.856 | 75% | 0.752 | S | S | * | * | -175 | 137.7 | 124.3 | -87 | -18.2 | 0 | 0 | 0 | 110.1 | P896 | P896-N898 PolarHBondContact O-N 2.67Å; P896-N898 VanDerWaalsContact O-N 3.16Å | |||
| 899 | I | 26.9 | Very low | 26.5 | Very low | 133 Ų | 133 | 137.7 Ų | 137.7 | 68% | 0.682 | 75% | 0.752 | S | S | * | * | trans | -129.7 | 143.9 | -172.6 | -62.7 | 169.4 | 0 | 0 | 0 | 108 | ||||
| 900 | N | 30.7 | Very low | 26.5 | Very low | 153 Ų | 153 | 140.9 Ų | 140.9 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | -157.9 | 149 | 153.5 | -93.4 | -20.7 | 0 | 0 | 0 | 108.9 | ||||
| 901 | S | 26.1 | Very low | 26.3 | Very low | 88 Ų | 88 | 136 Ų | 136 | 62% | 0.615 | 76% | 0.758 | S | S | * | * | S | Bend | cis | -160.5 | 25.6 | -20.2 | 50.3 | 0 | 0 | 0 | 0 | 112.9 | ||
| 902 | E | 28.5 | Very low | 26.2 | Very low | 187 Ų | 187 | 140.8 Ų | 140.8 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -128 | -6.2 | -170.3 | -136.8 | 168.4 | -158.3 | 0 | 0 | 115.3 | ||
| 903 | L | 28.8 | Very low | 26.1 | Very low | 136 Ų | 136 | 141.2 Ų | 141.2 | 71% | 0.712 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -104 | 16.1 | 171.1 | -153.1 | 79 | 0 | 0 | 0 | 113 | ||
| 904 | L | 28.2 | Very low | 26.2 | Very low | 117 Ų | 117 | 144.4 Ų | 144.4 | 61% | 0.613 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -94.8 | -37.3 | -174.2 | -152.2 | 65.4 | 0 | 0 | 0 | 112.8 | ||
| 905 | D | 27.9 | Very low | 26.1 | Very low | 143 Ų | 143 | 145.8 Ų | 145.8 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -75.3 | -26.9 | 177.9 | -72.3 | -45.2 | 0 | 0 | 0 | 113.5 | L907 A908 | D905-L907 VanDerWaalsContact C-N 3.26Å; D905-L907 PolarHBondContact O-N 2.81Å; D905-A908 WeakPolarHBondContact O-CB 3.43Å; D905-A908 PolarHBondContact O-N 3.04Å |
| 906 | L | 28.6 | Very low | 26.2 | Very low | 142 Ų | 142 | 139.9 Ų | 139.9 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -78.5 | -6.8 | 179.8 | -121.6 | 157.8 | 0 | 0 | 0 | 113.8 | ||
| 907 | L | 26.4 | Very low | 26.2 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 67% | 0.665 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -108.2 | -1.4 | 171.3 | -70.8 | 173.9 | 0 | 0 | 0 | 113.7 | D905 S909 | D905-L907 VanDerWaalsContact C-N 3.26Å; D905-L907 PolarHBondContact O-N 2.81Å; L907-S909 PolarHBondContact O-N 3.37Å |
| 908 | A | 24.3 | Very low | 26 | Very low | 84 Ų | 84 | 142.7 Ų | 142.7 | 69% | 0.694 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | 5.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | D905 | D905-A908 WeakPolarHBondContact O-CB 3.43Å; D905-A908 PolarHBondContact O-N 3.04Å |
| 909 | S | 24.5 | Very low | 25.8 | Very low | 106 Ų | 106 | 139.1 Ų | 139.1 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121 | 7.9 | -171.1 | 61.5 | 0 | 0 | 0 | 0 | 115.6 | L907 | L907-S909 PolarHBondContact O-N 3.37Š|
| 910 | R | 26 | Very low | 25.8 | Very low | 240 Ų | 240 | 140.2 Ų | 140.2 | 91% | 0.906 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -143.6 | 20.2 | 177.8 | -133.9 | 167.5 | -174.7 | 155.6 | 0.6 | 118.1 | ||
| 911 | A | 23.6 | Very low | 25.5 | Very low | 98 Ų | 98 | 140.6 Ų | 140.6 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | trans | -114.8 | 44.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 912 | F | 23.2 | Very low | 25.4 | Very low | 204 Ų | 204 | 141.5 Ų | 141.5 | 90% | 0.895 | 77% | 0.768 | S | S | * | * | trans | -129.2 | 64 | 179.1 | -157 | -88 | 0 | 0 | 0 | 112.3 | ||||
| 913 | L | 24.9 | Very low | 25.3 | Very low | 161 Ų | 161 | 139.4 Ų | 139.4 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -165.3 | 154.2 | 160.3 | -112.3 | 165 | 0 | 0 | 0 | 109.7 | ||
| 914 | L | 25 | Very low | 25 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 73% | 0.728 | 77% | 0.765 | S | S | * | * | trans | 62.3 | 35 | 178.3 | -68.2 | 167.6 | 0 | 0 | 0 | 117.1 | A916 | L914-A916 HydrophobicContact CD2-CB 4.49Å; L914-A916 PolarHBondContact O-N 2.95Å | ||
| 915 | K | 21.7 | Very low | 24.8 | Very low | 220 Ų | 220 | 140.5 Ų | 140.5 | 96% | 0.957 | 77% | 0.772 | S | S | * | * | S | Bend | -83.3 | 69.2 | 128.6 | -170.3 | 176.8 | -180 | 177.4 | 0 | 108.5 | |||
| 916 | A | 24 | Very low | 24.8 | Very low | 56 Ų | 56 | 139.3 Ų | 139.3 | 46% | 0.463 | 77% | 0.772 | S | S | . | * | trans | -156.2 | 144.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L914 L918 | L914-A916 HydrophobicContact CD2-CB 4.49Å; L914-A916 PolarHBondContact O-N 2.95Å; A916-L918 PolarHBondContact O-N 3.35Å | ||
| 917 | T | 26.2 | Very low | 24.4 | Very low | 118 Ų | 118 | 139.8 Ų | 139.8 | 72% | 0.724 | 77% | 0.772 | S | S | * | * | S | Bend | trans | 56.7 | 40.6 | 165.7 | 54.9 | 0 | 0 | 0 | 0 | 117.7 | ||
| 918 | L | 22 | Very low | 24.3 | Very low | 185 Ų | 185 | 141.2 Ų | 141.2 | 97% | 0.969 | 78% | 0.779 | S | S | * | * | trans | -106.7 | 76 | 131.6 | -108.9 | 174.5 | 0 | 0 | 0 | 107.3 | A916 | A916-L918 PolarHBondContact O-N 3.35Š| ||
| 919 | S | 23.9 | Very low | 24.3 | Very low | 84 Ų | 84 | 143.3 Ų | 143.3 | 59% | 0.587 | 79% | 0.789 | S | S | * | * | trans | -158 | 85.5 | -173.4 | 58.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 920 | N | 26.6 | Very low | 24.5 | Very low | 157 Ų | 157 | 141 Ų | 141 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -172.9 | 77.7 | 146.5 | -96.6 | -3.4 | 0 | 0 | 0 | 109.3 | ||
| 921 | N | 24.6 | Very low | 24.6 | Very low | 161 Ų | 161 | 136.5 Ų | 136.5 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | -178.8 | 71.2 | 123.8 | -87.5 | -7.3 | 0 | 0 | 0 | 110.2 | |||||
| 922 | S | 23.9 | Very low | 24.8 | Very low | 106 Ų | 106 | 138.7 Ų | 138.7 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -84.6 | 106 | 148.1 | 52.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 923 | I | 26.1 | Very low | 25 | Very low | 144 Ų | 144 | 136.3 Ų | 136.3 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | 77.1 | 114.2 | 102.2 | -68.2 | 160.3 | 0 | 0 | 0 | 112.7 | T925 | I923-T925 PolarHBondContact O-N 3.07Š| |||
| 924 | I | 23.7 | Very low | 25.3 | Very low | 151 Ų | 151 | 134.7 Ų | 134.7 | 77% | 0.774 | 77% | 0.77 | S | S | * | * | trans | 14 | 103.8 | 139.6 | -58 | 171.3 | 0 | 0 | 0 | 114.9 | ||||
| 925 | T | 24.2 | Very low | 25.6 | Very low | 125 Ų | 125 | 133.8 Ų | 133.8 | 77% | 0.767 | 77% | 0.766 | S | S | * | * | trans | -59.2 | 141.1 | 147.1 | 10.2 | 0 | 0 | 0 | 0 | 109.1 | I923 | I923-T925 PolarHBondContact O-N 3.07Š| ||
| 926 | P | 26.6 | Very low | 25.9 | Very low | 118 Ų | 118 | 129.9 Ų | 129.9 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | -132.5 | 143.5 | 77.3 | 36.8 | -25.8 | 0 | 0 | 0 | 114.6 | |||||
| 927 | M | 21.5 | Very low | 26 | Very low | 151 Ų | 151 | 132.1 Ų | 132.1 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | trans | -87.9 | 157 | 155.2 | -79.1 | -154.1 | 74.2 | 0 | 0 | 110.2 | ||||
| 928 | L | 23.2 | Very low | 26 | Very low | 157 Ų | 157 | 133.5 Ų | 133.5 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | 73 | 89.2 | 158.2 | -64.3 | 152.7 | 0 | 0 | 0 | 118.3 | ||||
| 929 | S | 24.3 | Very low | 26.1 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 90% | 0.895 | 77% | 0.767 | S | S | * | * | -157.1 | 137.4 | 115.3 | 59.2 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 930 | G | 28.6 | Very low | 26.1 | Very low | 59 Ų | 59 | 136.7 Ų | 136.7 | 61% | 0.608 | 78% | 0.78 | S | S | * | * | cis | -124.7 | -151.3 | -9.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 931 | N | 29.1 | Very low | 26 | Very low | 145 Ų | 145 | 134.7 Ų | 134.7 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | cis | -135.4 | 146 | 17.9 | -63.4 | -15.1 | 0 | 0 | 0 | 112.1 | ||||
| 932 | D | 28 | Very low | 26.2 | Very low | 143 Ų | 143 | 131.9 Ų | 131.9 | 77% | 0.765 | 76% | 0.762 | S | S | * | * | trans | 43.2 | 116.2 | 154 | -47.5 | -30.2 | 0 | 0 | 0 | 119.2 | P934 | D932-P934 WeakPolarHBondContact O-CD 3.44Å; D932-P934 VanDerWaalsContact O-N 3.13Å | ||
| 933 | N | 27 | Very low | 26.1 | Very low | 154 Ų | 154 | 132.8 Ų | 132.8 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | trans | -35.8 | 112.8 | 174.9 | -56.9 | -13.3 | 0 | 0 | 0 | 112.9 | ||||
| 934 | P | 30.3 | Very low | 26.1 | Very low | 127 Ų | 127 | 131.9 Ų | 131.9 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | -132.8 | 154.1 | 94.2 | 37.1 | -28.1 | 0 | 0 | 0 | 114.5 | D932 | D932-P934 WeakPolarHBondContact O-CD 3.44Å; D932-P934 VanDerWaalsContact O-N 3.13Å | |||
| 935 | D | 32.3 | Very low | 26.2 | Very low | 120 Ų | 120 | 127.4 Ų | 127.4 | 64% | 0.642 | 73% | 0.733 | S | S | * | * | trans | -99.2 | 144.4 | -156.9 | -84.4 | -78.1 | 0 | 0 | 0 | 117.6 | ||||
| 936 | N | 28.2 | Very low | 26.9 | Very low | 139 Ų | 139 | 125.9 Ų | 125.9 | 74% | 0.743 | 73% | 0.728 | S | S | * | * | trans | 38 | 116.3 | 139.3 | -68.2 | -69.7 | 0 | 0 | 0 | 118.6 | ||||
| 937 | S | 26.3 | Very low | 26.8 | Very low | 103 Ų | 103 | 126.8 Ų | 126.8 | 72% | 0.72 | 73% | 0.731 | S | S | * | * | 174 | 168.5 | 72 | 46.3 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 938 | N | 26.4 | Very low | 27 | Very low | 147 Ų | 147 | 124.3 Ų | 124.3 | 79% | 0.786 | 73% | 0.728 | S | S | * | * | trans | 62.4 | 98.1 | 164 | -68 | -17.5 | 0 | 0 | 0 | 119.9 | I940 | N938-I940 PolarHBondContact O-N 3.3Š| ||
| 939 | L | 23.3 | Very low | 27.4 | Very low | 170 Ų | 170 | 119.2 Ų | 119.2 | 89% | 0.89 | 71% | 0.714 | S | S | * | * | trans | 19.2 | 100.3 | 131.2 | -68.6 | 167.6 | 0 | 0 | 0 | 117.7 | ||||
| 940 | I | 23.8 | Very low | 27.6 | Very low | 165 Ų | 165 | 121.2 Ų | 121.2 | 85% | 0.846 | 71% | 0.709 | S | S | * | * | -156.6 | 155.8 | 128.5 | -110.5 | 160.4 | 0 | 0 | 0 | 111.1 | N938 | N938-I940 PolarHBondContact O-N 3.3Š| |||
| 941 | T | 24.7 | Very low | 27.7 | Very low | 115 Ų | 115 | 122.7 Ų | 122.7 | 71% | 0.706 | 71% | 0.706 | S | S | * | * | trans | -36.2 | 138.7 | 177 | -48.5 | 0 | 0 | 0 | 0 | 115.6 | L943 | T941-L943 PolarHBondContact O-N 2.93Š| ||
| 942 | T | 27.8 | Very low | 27.9 | Very low | 102 Ų | 102 | 124 Ų | 124 | 63% | 0.626 | 71% | 0.705 | S | S | * | * | trans | -29.4 | 122.3 | 155.6 | 32.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 943 | L | 22.1 | Very low | 28 | Very low | 125 Ų | 125 | 123.4 Ų | 123.4 | 65% | 0.654 | 70% | 0.702 | S | S | * | * | -120.5 | 154.4 | 102 | -73.5 | 106 | 0 | 0 | 0 | 106.8 | T941 T945 | T941-L943 PolarHBondContact O-N 2.93Å; L943-T945 HydrophobicContact CB-CG2 3.94Å; L943-T945 HydrophobicContact CD2-CG2 3.62Å; L943-T945 HydrophobicContact CG-CG2 4.33Å | |||
| 944 | I | 27.6 | Very low | 28.2 | Very low | 126 Ų | 126 | 123.3 Ų | 123.3 | 65% | 0.646 | 69% | 0.694 | S | S | * | * | cis | 59.9 | 160.4 | 41.4 | -40.3 | 159.5 | 0 | 0 | 0 | 108.2 | ||||
| 945 | T | 26.1 | Very low | 28.2 | Very low | 56 Ų | 56 | 123.1 Ų | 123.1 | 34% | 0.344 | 68% | 0.682 | S | S | . | * | -160.2 | 78.7 | 104.2 | 12.2 | 0 | 0 | 0 | 0 | 104.1 | L943 V947 S948 | L943-T945 HydrophobicContact CB-CG2 3.94Å; L943-T945 HydrophobicContact CD2-CG2 3.62Å; L943-T945 HydrophobicContact CG-CG2 4.33Å; T945-V947 CarbonylContact O-C 3.56Å; T945-V947 VanDerWaalsContact O-C 3.24Å; T945-V947 WeakPolarHBondContact O-CA 3.29Å; T945-S948 WeakPolarHBondContact O-CA 3.47Å; T945-S948 PolarHBondContact O-N 2.79Å | |||
| 946 | S | 38.9 | Very low | 27.9 | Very low | 94 Ų | 94 | 122.3 Ų | 122.3 | 66% | 0.657 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.9 | -104.3 | -167.3 | 172.6 | 0 | 0 | 0 | 0 | 117.1 | S948 | S946-S948 VanDerWaalsContact CB-C 3.41Å; S946-S948 WeakPolarHBondContact CB-O 3.42Å; S946-S948 PolarHBondContact OG-O 3.13Å; S946-S948 VanDerWaalsContact OG-O 3.04Å |
| 947 | V | 23.5 | Very low | 27.8 | Very low | 137 Ų | 137 | 125.7 Ų | 125.7 | 83% | 0.83 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | -93.3 | 125.1 | 50.3 | -173.9 | 0 | 0 | 0 | 0 | 115.9 | T945 | T945-V947 CarbonylContact O-C 3.56Å; T945-V947 VanDerWaalsContact O-C 3.24Å; T945-V947 WeakPolarHBondContact O-CA 3.29Å | |
| 948 | S | 25.5 | Very low | 27.7 | Very low | 99 Ų | 99 | 128.1 Ų | 128.1 | 69% | 0.692 | 68% | 0.682 | S | S | * | * | S | Bend | trans | 56.9 | 126.9 | -166.4 | -59.4 | 0 | 0 | 0 | 0 | 117.1 | T945 S946 | T945-S948 WeakPolarHBondContact O-CA 3.47Å; T945-S948 PolarHBondContact O-N 2.79Å; S946-S948 VanDerWaalsContact CB-C 3.41Å; S946-S948 WeakPolarHBondContact CB-O 3.42Å; S946-S948 PolarHBondContact OG-O 3.13Å; S946-S948 VanDerWaalsContact OG-O 3.04Å |
| 949 | G | 30.8 | Very low | 27.5 | Very low | 50 Ų | 50 | 126 Ų | 126 | 52% | 0.515 | 68% | 0.679 | S | S | . | * | cis | -143.6 | -173.7 | -5.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 950 | E | 29.4 | Very low | 27.5 | Very low | 169 Ų | 169 | 122.5 Ų | 122.5 | 79% | 0.79 | 67% | 0.669 | S | S | * | * | cis | -127.2 | 135.8 | 10.5 | -72.2 | -170.8 | 112.4 | 0 | 0 | 109.8 | ||||
| 951 | V | 30.7 | Very low | 27.5 | Very low | 91 Ų | 91 | 121.6 Ų | 121.6 | 55% | 0.552 | 67% | 0.665 | S | S | * | * | 72.6 | 111.3 | 63.3 | 174.9 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 952 | K | 32.7 | Very low | 27.4 | Very low | 171 Ų | 171 | 120.8 Ų | 120.8 | 74% | 0.743 | 67% | 0.665 | S | S | * | * | -162.9 | 140.5 | 54 | -120.6 | 140.5 | -162 | 162.1 | 0 | 113.8 | |||||
| 953 | N | 31.8 | Very low | 27.1 | Very low | 132 Ų | 132 | 121.8 Ų | 121.8 | 71% | 0.706 | 67% | 0.67 | S | S | * | * | trans | 49.3 | 148.6 | 130.8 | -61.8 | 7.3 | 0 | 0 | 0 | 121.5 | ||||
| 954 | K | 30.7 | Very low | 27.1 | Very low | 152 Ų | 152 | 121.5 Ų | 121.5 | 66% | 0.661 | 67% | 0.674 | S | S | * | * | cis | -177.1 | 169.5 | 6.9 | -112.1 | -178.7 | 176.8 | -87.2 | 0 | 107.5 | ||||
| 955 | E | 29.3 | Very low | 26.8 | Very low | 123 Ų | 123 | 120.6 Ų | 120.6 | 58% | 0.575 | 68% | 0.678 | S | S | * | * | cis | -175 | 162.2 | -20.9 | -132.3 | 171.7 | -127.6 | 0 | 0 | 111.1 | ||||
| 956 | N | 26.9 | Very low | 26.5 | Very low | 103 Ų | 103 | 123.3 Ų | 123.3 | 55% | 0.551 | 70% | 0.695 | S | S | * | * | trans | 68.6 | 151.3 | 150.1 | -62.3 | -20.2 | 0 | 0 | 0 | 121.3 | ||||
| 957 | W | 25.7 | Very low | 25.7 | Very low | 209 Ų | 209 | 125.5 Ų | 125.5 | 79% | 0.792 | 70% | 0.699 | S | S | * | * | cis | -162.9 | 158.1 | 0.9 | -105.1 | -11.1 | 0 | 0 | 0 | 114 | ||||
| 958 | M | 24.4 | Very low | 25.7 | Very low | 155 Ų | 155 | 126 Ų | 126 | 76% | 0.764 | 69% | 0.694 | S | S | * | * | trans | 72.7 | 111 | 142.1 | -76.9 | 179.3 | 165.9 | 0 | 0 | 126.1 | ||||
| 959 | S | 23.2 | Very low | 25.5 | Very low | 102 Ų | 102 | 127.8 Ų | 127.8 | 71% | 0.713 | 70% | 0.695 | S | S | * | * | 37.8 | 151.3 | 115.1 | 60 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 960 | S | 23 | Very low | 25.2 | Very low | 97 Ų | 97 | 132.7 Ų | 132.7 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | cis | 178.3 | 178.5 | -5.6 | 51.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 961 | N | 23.6 | Very low | 24.9 | Very low | 145 Ų | 145 | 128.6 Ų | 128.6 | 78% | 0.775 | 70% | 0.699 | S | S | * | * | trans | 95.4 | 120 | 151.9 | -72.3 | -6.7 | 0 | 0 | 0 | 124.6 | ||||
| 962 | S | 21.2 | Very low | 24.9 | Very low | 99 Ų | 99 | 130.3 Ų | 130.3 | 69% | 0.692 | 71% | 0.712 | S | S | * | * | 74.6 | 128.9 | 126.1 | 71 | 0 | 0 | 0 | 0 | 126.3 | |||||
| 963 | T | 22.4 | Very low | 24.4 | Very low | 122 Ų | 122 | 127.6 Ų | 127.6 | 75% | 0.748 | 71% | 0.714 | S | S | * | * | trans | 86.4 | 129.8 | 133.4 | 42.6 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 964 | T | 22.1 | Very low | 24.5 | Very low | 119 Ų | 119 | 126.9 Ų | 126.9 | 73% | 0.73 | 72% | 0.717 | S | S | * | * | trans | 76.5 | 120.1 | 139.5 | 49 | 0 | 0 | 0 | 0 | 124 | ||||
| 965 | C | 20.7 | Very low | 24 | Very low | 107 Ų | 107 | 124.9 Ų | 124.9 | 72% | 0.723 | 72% | 0.717 | S | S | * | * | 83.4 | 136.7 | 126.7 | -69.7 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 966 | T | 20.9 | Very low | 23.9 | Very low | 114 Ų | 114 | 125.8 Ų | 125.8 | 70% | 0.699 | 73% | 0.726 | S | S | * | * | trans | 60.1 | 131 | 140.9 | 51.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 967 | D | 21.5 | Very low | 23.7 | Very low | 140 Ų | 140 | 126.2 Ų | 126.2 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | trans | 66.3 | 157.3 | 147.9 | -67.1 | -32.8 | 0 | 0 | 0 | 116.5 | ||||
| 968 | M | 22.7 | Very low | 23.5 | Very low | 147 Ų | 147 | 127.9 Ų | 127.9 | 72% | 0.724 | 74% | 0.742 | S | S | * | * | cis | -154.8 | 176.9 | -6.3 | -126.4 | -176.9 | -174.9 | 0 | 0 | 108.4 | ||||
| 969 | L | 22.7 | Very low | 23.5 | Very low | 136 Ų | 136 | 125.9 Ų | 125.9 | 71% | 0.712 | 74% | 0.743 | S | S | * | * | trans | 19.4 | 126.5 | 140.5 | -60.5 | 172.8 | 0 | 0 | 0 | 118 | ||||
| 970 | L | 24.5 | Very low | 23.4 | Very low | 153 Ų | 153 | 130.5 Ų | 130.5 | 80% | 0.801 | 75% | 0.751 | S | S | * | * | -174.5 | 177.2 | 61.2 | -117.3 | 141.6 | 0 | 0 | 0 | 114.2 | |||||
| 971 | S | 21.8 | Very low | 23.4 | Very low | 84 Ų | 84 | 131.4 Ų | 131.4 | 59% | 0.587 | 76% | 0.757 | S | S | * | * | trans | -55.5 | 158.9 | 179.3 | 54.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 972 | P | 31.7 | Very low | 23.9 | Very low | 127 Ų | 127 | 129.8 Ų | 129.8 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | trans | -71.6 | 154.7 | 164.2 | 33.7 | -36.8 | 0 | 0 | 0 | 112.5 | ||||
| 973 | S | 22.5 | Very low | 23.9 | Very low | 114 Ų | 114 | 130.7 Ų | 130.7 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | trans | -158.7 | 155.3 | 158.8 | 60.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 974 | P | 32.3 | Very low | 23.9 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 76% | 0.76 | 76% | 0.755 | S | S | * | * | trans | -123 | -162.9 | -174.6 | 29.2 | -5.8 | 0 | 0 | 0 | 113.1 | ||||
| 975 | V | 22.2 | Very low | 24 | Very low | 110 Ų | 110 | 131.7 Ų | 131.7 | 67% | 0.667 | 75% | 0.754 | S | S | * | * | trans | 77.6 | 115.1 | 160.2 | -159.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 976 | N | 25.1 | Very low | 24.2 | Very low | 142 Ų | 142 | 133 Ų | 133 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | 164.2 | 126.5 | 121.7 | -85.7 | -64 | 0 | 0 | 0 | 107.4 | |||||
| 977 | C | 23.6 | Very low | 24.4 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 76% | 0.757 | 75% | 0.753 | S | S | * | * | cis | 78 | 82.8 | 18.6 | -153.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 978 | W | 22.6 | Very low | 24.6 | Very low | 244 Ų | 244 | 134.2 Ų | 134.2 | 92% | 0.924 | 75% | 0.754 | S | S | * | * | trans | -141.9 | 155.9 | 159.5 | -81.8 | -7.8 | 0 | 0 | 0 | 107.9 | ||||
| 979 | S | 22.7 | Very low | 24.7 | Very low | 112 Ų | 112 | 132.9 Ų | 132.9 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | cis | -163.6 | 176.3 | -24.6 | 58.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 980 | K | 22.2 | Very low | 25.1 | Very low | 200 Ų | 200 | 134.1 Ų | 134.1 | 87% | 0.87 | 75% | 0.752 | S | S | * | * | trans | -104.4 | 137.4 | -169.8 | -63.3 | 176.9 | 179 | 176.4 | 0 | 114 | ||||
| 981 | S | 22 | Very low | 25.2 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | 67.2 | 171.3 | 147.4 | -94.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 982 | P | 33.8 | Very low | 25.6 | Very low | 111 Ų | 111 | 135.2 Ų | 135.2 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | cis | -137.1 | -160.4 | -44.6 | 34.4 | -13.5 | 0 | 0 | 0 | 113.5 | ||||
| 983 | V | 22.9 | Very low | 25.4 | Very low | 118 Ų | 118 | 136 Ų | 136 | 72% | 0.715 | 76% | 0.755 | S | S | * | * | trans | 105.2 | 101.9 | 153.5 | -170 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 984 | I | 21 | Very low | 25.6 | Very low | 146 Ų | 146 | 136.1 Ų | 136.1 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | trans | 48.2 | 142.9 | 130.5 | -36.5 | 174.1 | 0 | 0 | 0 | 123.3 | ||||
| 985 | T | 24 | Very low | 25.2 | Very low | 116 Ų | 116 | 142 Ų | 142 | 71% | 0.712 | 76% | 0.763 | S | S | * | * | trans | 78.5 | 147.1 | 169.3 | 70.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 986 | N | 26.6 | Very low | 25.3 | Very low | 136 Ų | 136 | 147.8 Ų | 147.8 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | cis | -170.9 | 172 | -15.9 | -99.9 | -1.9 | 0 | 0 | 0 | 108.2 | ||||
| 987 | I | 24.1 | Very low | 25.2 | Very low | 132 Ų | 132 | 146.7 Ų | 146.7 | 68% | 0.677 | 77% | 0.771 | S | S | * | * | cis | -173.7 | 158.9 | -36.9 | -159.7 | 172 | 0 | 0 | 0 | 108.6 | ||||
| 988 | L | 26.2 | Very low | 25.3 | Very low | 146 Ų | 146 | 147.1 Ų | 147.1 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | trans | 66.9 | 144.7 | 172.2 | -68.3 | 169 | 0 | 0 | 0 | 117.3 | ||||
| 989 | D | 24.6 | Very low | 25.4 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 64% | 0.642 | 77% | 0.766 | S | S | * | * | cis | -161.5 | 171.8 | -15.5 | -151.7 | -20.7 | 0 | 0 | 0 | 112.2 | ||||
| 990 | H | 31.4 | Very low | 25.6 | Very low | 161 Ų | 161 | 140.9 Ų | 140.9 | 75% | 0.745 | 76% | 0.763 | S | S | * | * | trans | 81.8 | 97 | 157.3 | -63.7 | -3.4 | 0 | 0 | 0 | 122.3 | ||||
| 991 | N | 25.3 | Very low | 25.7 | Very low | 156 Ų | 156 | 136.1 Ų | 136.1 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | 19 | 157.8 | 121.1 | -90.3 | -15.8 | 0 | 0 | 0 | 122.5 | |||||
| 992 | P | 31.4 | Very low | 25.9 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | cis | -139 | 175 | 24.3 | 42.6 | -24.7 | 0 | 0 | 0 | 119.3 | ||||
| 993 | D | 27 | Very low | 25.5 | Very low | 143 Ų | 143 | 138.9 Ų | 138.9 | 77% | 0.765 | 75% | 0.752 | S | S | * | * | trans | 69.9 | 125.3 | 149.3 | -68.3 | -27.8 | 0 | 0 | 0 | 125 | ||||
| 994 | S | 26.3 | Very low | 25.4 | Very low | 117 Ų | 117 | 141.8 Ų | 141.8 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 83 | 15.6 | 139.1 | 79.4 | 0 | 0 | 0 | 0 | 122 | ||
| 995 | R | 25.3 | Very low | 25.5 | Very low | 240 Ų | 240 | 143.4 Ų | 143.4 | 91% | 0.906 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -157.8 | 140 | 157.2 | -106.9 | 156.2 | -159.2 | -157.7 | 6.3 | 113.7 | ||
| 996 | R | 23.6 | Very low | 25.4 | Very low | 231 Ų | 231 | 147.5 Ų | 147.5 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | trans | 51.3 | 103.1 | 161.9 | -74.3 | -170.3 | 175.3 | -172.5 | -0.3 | 119.8 | ||||
| 997 | T | 23.1 | Very low | 25.2 | Very low | 119 Ų | 119 | 150.8 Ų | 150.8 | 73% | 0.73 | 78% | 0.782 | S | S | * | * | 70.3 | 126.5 | 128.7 | 52.7 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 998 | T | 26.2 | Very low | 25.2 | Very low | 121 Ų | 121 | 152 Ų | 152 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | trans | 74.1 | 108.9 | 140.4 | 51.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 999 | G | 24.7 | Very low | 25.1 | Very low | 81 Ų | 81 | 153.4 Ų | 153.4 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | -96.9 | 158.5 | 134.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1000 | M | 26.6 | Very low | 25.1 | Very low | 144 Ų | 144 | 155.3 Ų | 155.3 | 71% | 0.709 | 80% | 0.801 | S | S | * | * | trans | -146.5 | 172.5 | -165.3 | -95 | -89.6 | -91.1 | 0 | 0 | 113.8 | L1003 | M1000-L1003 HydrophobicContact CE-CD1 3.36Å; M1000-L1003 HydrophobicContact SD-CD1 3.93Å | ||
| 1001 | S | 24.5 | Very low | 24.6 | Very low | 101 Ų | 101 | 154.9 Ų | 154.9 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | trans | 84.3 | 137.6 | -171.8 | 79.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1002 | I | 26.1 | Very low | 24.5 | Very low | 171 Ų | 171 | 153.5 Ų | 153.5 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | S | Bend | cis | -120.1 | 118.7 | 1.2 | -57.2 | 165 | 0 | 0 | 0 | 107.4 | ||
| 1003 | L | 24.5 | Very low | 24.1 | Very low | 113 Ų | 113 | 154.7 Ų | 154.7 | 59% | 0.592 | 81% | 0.81 | S | S | * | * | cis | 105.7 | 66.9 | 16.8 | -160.8 | 107.9 | 0 | 0 | 0 | 116 | M1000 | M1000-L1003 HydrophobicContact CE-CD1 3.36Å; M1000-L1003 HydrophobicContact SD-CD1 3.93Å | ||
| 1004 | M | 21.6 | Very low | 24 | Very low | 178 Ų | 178 | 156.4 Ų | 156.4 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | S | Bend | -138.8 | 137.4 | 119.5 | -85.8 | -127.1 | 178.8 | 0 | 0 | 110.4 | K1006 | M1004-K1006 PolarHBondContact O-N 2.89Š| |
| 1005 | M | 22.4 | Very low | 23.9 | Very low | 181 Ų | 181 | 161.5 Ų | 161.5 | 89% | 0.892 | 81% | 0.814 | S | S | * | * | trans | -1.1 | 87.4 | -178.1 | -67.2 | -172.4 | -78.3 | 0 | 0 | 119.8 | K1007 | M1005-K1007 PolarHBondContact O-N 2.8Š| ||
| 1006 | K | 22.6 | Very low | 23.7 | Very low | 202 Ų | 202 | 160.8 Ų | 160.8 | 88% | 0.878 | 82% | 0.818 | S | S | * | * | trans | -82.8 | 95.1 | 154.1 | -165.5 | 177.1 | -172.2 | 179.2 | 0 | 109.6 | M1004 | M1004-K1006 PolarHBondContact O-N 2.89Š| ||
| 1007 | K | 22.5 | Very low | 23.7 | Very low | 204 Ų | 204 | 153.1 Ų | 153.1 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | trans | -128.7 | 41.8 | 168.7 | -147.9 | -179.7 | -175.4 | -174.1 | 0 | 112.4 | M1005 | M1005-K1007 PolarHBondContact O-N 2.8Š| ||
| 1008 | L | 23.5 | Very low | 23.7 | Very low | 157 Ų | 157 | 152.9 Ų | 152.9 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | trans | -100.3 | 90.2 | 173.7 | -83.4 | 167.1 | 0 | 0 | 0 | 110.3 | ||||
| 1009 | Q | 23.3 | Very low | 23.4 | Very low | 177 Ų | 177 | 150.9 Ų | 150.9 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -178.5 | 132.9 | 147.4 | -105.8 | 164.6 | -11.6 | 0 | 0 | 110.4 | N1011 | Q1009-N1011 PolarHBondContact O-N 2.86Š|
| 1010 | L | 24.7 | Very low | 23.3 | Very low | 159 Ų | 159 | 154.8 Ų | 154.8 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | S | Bend | trans | 46.5 | 63.5 | 153.9 | -64.9 | 164 | 0 | 0 | 0 | 117.1 | ||
| 1011 | N | 22.3 | Very low | 23.1 | Very low | 153 Ų | 153 | 153.8 Ų | 153.8 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | S | Bend | -172.7 | 159.2 | 126 | -100.7 | -54.2 | 0 | 0 | 0 | 112.6 | Q1009 | Q1009-N1011 PolarHBondContact O-N 2.86Š| |
| 1012 | T | 21.8 | Very low | 23 | Very low | 127 Ų | 127 | 151.1 Ų | 151.1 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | trans | 52.1 | 90.9 | 171.8 | 57.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1013 | P | 24.8 | Very low | 23 | Very low | 130 Ų | 130 | 147.5 Ų | 147.5 | 84% | 0.844 | 76% | 0.756 | S | S | * | * | trans | -96 | 102.1 | 147.3 | 33.4 | -24.2 | 0 | 0 | 0 | 109.8 | ||||
| 1014 | Q | 23.3 | Very low | 22.8 | Very low | 179 Ų | 179 | 145.4 Ų | 145.4 | 84% | 0.836 | 75% | 0.751 | S | S | * | * | trans | -132.8 | 150 | 162.7 | -84.5 | -163.8 | -9.8 | 0 | 0 | 109.6 | ||||
| 1015 | R | 24.1 | Very low | 23.1 | Very low | 223 Ų | 223 | 139.6 Ų | 139.6 | 84% | 0.842 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 66.1 | 59.1 | 179.9 | -57.3 | -174.2 | 175 | -164.8 | -3 | 116.3 | ||
| 1016 | F | 21.9 | Very low | 23.1 | Very low | 225 Ų | 225 | 135.6 Ų | 135.6 | 99% | 0.987 | 72% | 0.716 | S | S | * | * | S | Bend | -157.4 | 112.6 | 118.9 | -104.4 | -70 | 0 | 0 | 0 | 108.2 | |||
| 1017 | G | 22.5 | Very low | 23.2 | Very low | 70 Ų | 70 | 129.4 Ų | 129.4 | 72% | 0.722 | 70% | 0.696 | S | S | * | * | trans | 112.3 | 87.4 | -167.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1018 | S | 23.2 | Very low | 23.2 | Very low | 114 Ų | 114 | 125.8 Ų | 125.8 | 80% | 0.797 | 69% | 0.686 | S | S | * | * | trans | -147.5 | 49.6 | 164.8 | -60.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1019 | L | 19.8 | Very low | 23.3 | Very low | 79 Ų | 79 | 123.9 Ų | 123.9 | 41% | 0.414 | 68% | 0.676 | S | S | . | * | trans | -158.3 | 65.5 | -173.7 | -114.8 | 171.1 | 0 | 0 | 0 | 114.4 | T240 P241 | T240-L1019 HydrophobicContact CG2-CB 4.25Å; T240-L1019 HydrophobicContact CG2-CD1 3.74Å; T240-L1019 HydrophobicContact CG2-CG 4.46Å; P241-L1019 HydrophobicContact CB-CD2 3.26Å; P241-L1019 HydrophobicContact CG-CD1 4.24Å; P241-L1019 HydrophobicContact CG-CD2 3.3Å; P241-L1019 HydrophobicContact CG-CG 4.39Å | ||
| 1020 | M | 23.5 | Very low | 23.3 | Very low | 163 Ų | 163 | 122.2 Ų | 122.2 | 80% | 0.803 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -149 | 161.7 | 155.9 | -101.7 | -59.1 | 173.8 | 0 | 0 | 109.1 | ||
| 1021 | L | 23.6 | Very low | 23.2 | Very low | 124 Ų | 124 | 124.9 Ų | 124.9 | 65% | 0.649 | 67% | 0.67 | S | S | * | * | trans | -69.8 | 147.4 | -168.3 | -72.1 | 92.5 | 0 | 0 | 0 | 114.5 | ||||
| 1022 | V | 22.2 | Very low | 23.2 | Very low | 44 Ų | 44 | 123 Ų | 123 | 27% | 0.267 | 67% | 0.669 | S | S | . | * | 35.7 | 129 | 127.1 | -169.2 | 0 | 0 | 0 | 0 | 117.7 | D450 A452 | D450-V1022 HydrophobicContact CB-CG2 4.42Å; D450-V1022 WeakPolarHBondContact OD1-CG2 3.44Å; D450-V1022 WeakPolarHBondContact OD2-CG2 3.43Å; A452-V1022 HydrophobicContact CB-CB 4.11Å; A452-V1022 HydrophobicContact CB-CG1 3.76Å; A452-V1022 HydrophobicContact CB-CG2 4.39Å | |||
| 1023 | N | 24.4 | Very low | 23.3 | Very low | 96 Ų | 96 | 124.4 Ų | 124.4 | 51% | 0.513 | 67% | 0.672 | S | S | . | * | 174.2 | 115.4 | 117.7 | -97.1 | -92.6 | 0 | 0 | 0 | 110.7 | K1058 | N1023-K1058 PolarHBondContact ND2-NZ 2.78Š| |||
| 1024 | S | 21.9 | Very low | 23.4 | Very low | 68 Ų | 68 | 129.5 Ų | 129.5 | 48% | 0.476 | 67% | 0.674 | S | S | . | * | trans | -93.6 | 141.9 | 143.1 | 81 | 0 | 0 | 0 | 0 | 107.9 | R451 | R451-S1024 PolarHBondContact O-OG 2.86Š| ||
| 1025 | P | 26.4 | Very low | 23.5 | Very low | 57 Ų | 57 | 125.4 Ų | 125.4 | 37% | 0.37 | 66% | 0.663 | S | S | . | * | -143.5 | 147.4 | 122 | 35.8 | -22.5 | 0 | 0 | 0 | 114 | Q1062 | P1025-Q1062 PolarHBondContact O-NE2 3.32Š| |||
| 1026 | S | 22.3 | Very low | 23.5 | Very low | 97 Ų | 97 | 122.6 Ų | 122.6 | 68% | 0.678 | 66% | 0.659 | S | S | * | * | trans | -71.2 | 152.9 | 166.1 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1027 | P | 26 | Very low | 23.7 | Very low | 71 Ų | 71 | 118.8 Ų | 118.8 | 46% | 0.461 | 65% | 0.649 | S | S | . | * | trans | -89.9 | 142.2 | 176.2 | 34.9 | -33 | 0 | 0 | 0 | 112.7 | Y1066 | P1027-Y1066 HydrophobicContact CB-CE2 4.4Å; P1027-Y1066 HydrophobicContact CG-CE2 3.96Å | ||
| 1028 | L | 22.2 | Very low | 23.7 | Very low | 129 Ų | 129 | 120.1 Ų | 120.1 | 68% | 0.675 | 64% | 0.644 | S | S | * | * | trans | -118.4 | 116 | 149.4 | -80.7 | 175 | 0 | 0 | 0 | 107.6 | ||||
| 1029 | I | 24.4 | Very low | 23.7 | Very low | 116 Ų | 116 | 120.4 Ų | 120.4 | 60% | 0.595 | 65% | 0.645 | S | S | * | * | trans | -129.3 | 133.2 | 166.5 | -69.2 | -177.1 | 0 | 0 | 0 | 108.3 | E1063 | I1029-E1063 WeakPolarHBondContact CD1-OE2 3.5Š| ||
| 1030 | I | 24.7 | Very low | 23.9 | Very low | 143 Ų | 143 | 124 Ų | 124 | 73% | 0.733 | 67% | 0.665 | S | S | * | * | trans | -68.7 | 147.7 | -175.7 | -71.1 | 162.2 | 0 | 0 | 0 | 111.5 | S1032 | I1030-S1032 PolarHBondContact O-N 3.32Å; I1030-S1032 VanDerWaalsContact O-N 3.08Å | ||
| 1031 | R | 22 | Very low | 23.9 | Very low | 214 Ų | 214 | 125 Ų | 125 | 81% | 0.808 | 67% | 0.671 | S | S | * | * | trans | -58 | 105.7 | 170.5 | -66.6 | 169.4 | 170.6 | 147.9 | -7.8 | 111.4 | N1033 | R1031-N1033 PolarHBondContact O-N 3.25Š| ||
| 1032 | S | 23.4 | Very low | 23.9 | Very low | 115 Ų | 115 | 122.5 Ų | 122.5 | 80% | 0.804 | 68% | 0.675 | S | S | * | * | trans | -95.9 | 65.7 | 169.3 | 64.7 | 0 | 0 | 0 | 0 | 111.9 | I1030 R1034 | I1030-S1032 PolarHBondContact O-N 3.32Å; I1030-S1032 VanDerWaalsContact O-N 3.08Å; S1032-R1034 PolarHBondContact O-N 2.92Å | ||
| 1033 | N | 23.7 | Very low | 23.9 | Very low | 156 Ų | 156 | 129 Ų | 129 | 83% | 0.834 | 71% | 0.708 | S | S | * | * | trans | -100.7 | 65 | -178.4 | -149.4 | 14.9 | 0 | 0 | 0 | 112.5 | R1031 | R1031-N1033 PolarHBondContact O-N 3.25Š| ||
| 1034 | R | 25.4 | Very low | 24 | Very low | 237 Ų | 237 | 130.1 Ų | 130.1 | 89% | 0.894 | 72% | 0.723 | S | S | * | * | trans | -166.4 | 103.6 | 163.7 | -109.8 | 177.3 | -171.1 | -174.5 | 2.5 | 109.8 | S1032 | S1032-R1034 PolarHBondContact O-N 2.92Š| ||
| 1035 | P | 25.1 | Very low | 24 | Very low | 93 Ų | 93 | 132.4 Ų | 132.4 | 60% | 0.604 | 73% | 0.734 | S | S | * | * | trans | -87 | 160.5 | 172.1 | 35.8 | -34.2 | 0 | 0 | 0 | 111.9 | ||||
| 1036 | E | 24.1 | Very low | 23.9 | Very low | 163 Ų | 163 | 138.2 Ų | 138.2 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | trans | 65.2 | 137.7 | 161.1 | -67.4 | 146.8 | -122.9 | 0 | 0 | 117.3 | ||||
| 1037 | N | 26.4 | Very low | 24 | Very low | 145 Ų | 145 | 144 Ų | 144 | 78% | 0.775 | 76% | 0.762 | S | S | * | * | cis | -130.6 | 156.8 | 14 | -104.7 | -42.9 | 0 | 0 | 0 | 116.2 | ||||
| 1038 | T | 23.6 | Very low | 23.9 | Very low | 99 Ų | 99 | 146 Ų | 146 | 61% | 0.607 | 78% | 0.777 | S | S | * | * | trans | -42.1 | 141.6 | -179.8 | 51.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1039 | S | 23.7 | Very low | 23.9 | Very low | 119 Ų | 119 | 147.2 Ų | 147.2 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | -159.2 | 144.9 | 112.5 | 37.8 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 1040 | L | 22.7 | Very low | 23.9 | Very low | 156 Ų | 156 | 147.4 Ų | 147.4 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | trans | -108.8 | 165.6 | 178.3 | -92.8 | 84.2 | 0 | 0 | 0 | 111.2 | ||||
| 1041 | I | 23.6 | Very low | 24 | Very low | 182 Ų | 182 | 145.9 Ų | 145.9 | 93% | 0.933 | 79% | 0.789 | S | S | * | * | trans | 105.7 | 128.4 | 171.5 | -59.6 | 161 | 0 | 0 | 0 | 112.5 | ||||
| 1042 | G | 24.3 | Very low | 24.4 | Very low | 72 Ų | 72 | 138 Ų | 138 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | trans | 150.3 | 6.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | S1044 | G1042-S1044 PolarHBondContact O-N 2.92Å; G1042-S1044 VanDerWaalsContact O-N 3.11Å | ||
| 1043 | L | 22.1 | Very low | 24.6 | Very low | 180 Ų | 180 | 138.2 Ų | 138.2 | 94% | 0.942 | 76% | 0.755 | S | S | * | * | trans | -76.1 | 97.2 | 173.6 | -82.6 | 170.8 | 0 | 0 | 0 | 111 | ||||
| 1044 | S | 25.1 | Very low | 24.9 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 84% | 0.839 | 74% | 0.735 | S | S | * | * | trans | -101.1 | 119.6 | 166 | -168 | 0 | 0 | 0 | 0 | 110 | G1042 | G1042-S1044 PolarHBondContact O-N 2.92Å; G1042-S1044 VanDerWaalsContact O-N 3.11Å | ||
| 1045 | T | 23.4 | Very low | 25.3 | Very low | 116 Ų | 116 | 125.9 Ų | 125.9 | 71% | 0.712 | 72% | 0.717 | S | S | * | * | trans | -96.9 | 124.4 | -179.7 | 39.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1046 | K | 23.4 | Very low | 25.7 | Very low | 180 Ų | 180 | 125.8 Ų | 125.8 | 78% | 0.783 | 71% | 0.711 | S | S | * | * | trans | -148.7 | 138.6 | 158.4 | -120.3 | 168.9 | -175 | 174.8 | 0 | 111.2 | ||||
| 1047 | Y | 25.1 | Very low | 26.1 | Very low | 218 Ų | 218 | 121.5 Ų | 121.5 | 86% | 0.855 | 69% | 0.693 | S | S | * | * | S | Bend | trans | 64.3 | 80.3 | -174.8 | -60.4 | -71.3 | 0 | 0 | 0 | 115.3 | ||
| 1048 | C | 23 | Very low | 26.5 | Very low | 113 Ų | 113 | 120.4 Ų | 120.4 | 76% | 0.764 | 68% | 0.681 | S | S | * | * | trans | -76.2 | 145.1 | 174.6 | -51.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1049 | L | 22.2 | Very low | 27.1 | Very low | 154 Ų | 154 | 124.8 Ų | 124.8 | 81% | 0.806 | 69% | 0.686 | S | S | * | * | trans | -95.7 | 145.8 | 149.6 | -77.9 | 163.7 | 0 | 0 | 0 | 109.1 | V1051 | L1049-V1051 PolarHBondContact O-N 3.07Š| ||
| 1050 | P | 25.1 | Very low | 27.7 | Very low | 120 Ų | 120 | 120.7 Ų | 120.7 | 78% | 0.779 | 66% | 0.656 | S | S | * | * | trans | -79.3 | 88.5 | -173.3 | 31 | -35.2 | 0 | 0 | 0 | 112.7 | ||||
| 1051 | V | 26.5 | Very low | 28.5 | Very low | 111 Ų | 111 | 116.3 Ų | 116.3 | 67% | 0.673 | 64% | 0.639 | S | S | * | * | trans | -78.4 | 130.7 | 174.7 | -176.3 | 0 | 0 | 0 | 0 | 110.8 | L1049 | L1049-V1051 PolarHBondContact O-N 3.07Š| ||
| 1052 | N | 30.3 | Very low | 29.5 | Very low | 48 Ų | 48 | 112 Ų | 112 | 26% | 0.257 | 62% | 0.615 | S | S | . | * | trans | -84.2 | 121.9 | -173.6 | -101.7 | -79 | 0 | 0 | 0 | 114 | M1 K2 A1054 T1055 | M1-N1052 PolarHBondContact O-ND2 3.11Å; M1-N1052 PolarHBondContact O-OD1 2.63Å; K2-N1052 WeakPolarHBondContact CA-OD1 3.29Å; K2-N1052 HydrophobicContact CG-CB 3.76Å; K2-N1052 PolarHBondContact N-OD1 3.14Å; K2-N1052 VanDerWaalsContact N-OD1 3.11Å; N1052-A1054 PolarHBondContact O-N 3.27Å; N1052-T1055 PolarHBondContact O-N 3.09Å; N1052-T1055 VanDerWaalsContact O-N 3.1Å | ||
| 1053 | N | 28 | Very low | 30.4 | Very low | 120 Ų | 120 | 112.2 Ų | 112.2 | 64% | 0.642 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -49.5 | -34.1 | -176.8 | -64.4 | -5 | 0 | 0 | 0 | 115.2 | T1055 I1056 L1057 | N1053-T1055 PolarHBondContact O-N 3.49Å; N1053-T1055 VanDerWaalsContact O-N 3.11Å; N1053-I1056 PolarHBondContact O-N 2.76Å; N1053-L1057 PolarHBondContact O-N 3.23Å |
| 1054 | A | 30.7 | Very low | 31.3 | Very low | 51 Ų | 51 | 104.8 Ų | 104.8 | 42% | 0.421 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -77.4 | 13.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | K2 N1052 | K2-A1054 HydrophobicContact CD-CB 4.21Å; K2-A1054 PolarHBondContact NZ-O 2.84Å; N1052-A1054 PolarHBondContact O-N 3.27Å |
| 1055 | T | 33.2 | Very low | 32.4 | Very low | 83 Ų | 83 | 108.3 Ų | 108.3 | 51% | 0.509 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -102.6 | -37.5 | 163.9 | -46 | 0 | 0 | 0 | 0 | 110.6 | N1052 N1053 K1058 R1059 | N1052-T1055 PolarHBondContact O-N 3.09Å; N1052-T1055 VanDerWaalsContact O-N 3.1Å; N1053-T1055 PolarHBondContact O-N 3.49Å; N1053-T1055 VanDerWaalsContact O-N 3.11Å; T1055-K1058 PolarHBondContact O-N 3.46Å; T1055-R1059 PolarHBondContact O-N 2.65Å |
| 1056 | I | 32.8 | Very low | 33.4 | Very low | 92 Ų | 92 | 109.7 Ų | 109.7 | 47% | 0.472 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -58.9 | -52.9 | 175.7 | -60.3 | 172.4 | 0 | 0 | 0 | 110 | N1053 K1058 R1059 T1060 | N1053-I1056 PolarHBondContact O-N 2.76Å; I1056-K1058 PolarHBondContact O-N 2.87Å; I1056-K1058 VanDerWaalsContact O-N 3.11Å; I1056-R1059 PolarHBondContact O-N 3.12Å; I1056-T1060 HydrophobicContact CG2-CG2 4Å; I1056-T1060 PolarHBondContact O-N 3.31Å; I1056-T1060 PolarHBondContact O-OG1 3.29Å |
| 1057 | L | 32.5 | Very low | 34.3 | Very low | 73 Ų | 73 | 102.7 Ų | 102.7 | 38% | 0.382 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -52 | -33.1 | 179 | -99.1 | 150.1 | 0 | 0 | 0 | 114.9 | N1053 S1061 L1097 | N1053-L1057 PolarHBondContact O-N 3.23Å; L1057-S1061 WeakPolarHBondContact O-CB 3.42Å; L1057-S1061 PolarHBondContact O-N 3.19Å; L1057-S1061 PolarHBondContact O-OG 3.42Å; L1057-S1061 VanDerWaalsContact O-OG 3.12Å; L1057-L1097 HydrophobicContact CD2-CD2 3.56Å; L1057-L1097 HydrophobicContact CG-CD2 3.93Å |
| 1058 | K | 36.3 | Very low | 35.2 | Very low | 121 Ų | 121 | 97.4 Ų | 97.4 | 53% | 0.526 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -76.8 | -44.7 | 177.3 | -108.8 | -168 | 172.8 | -169.1 | 0 | 111.5 | N1023 T1055 I1056 S1061 Q1062 | N1023-K1058 PolarHBondContact ND2-NZ 2.78Å; T1055-K1058 PolarHBondContact O-N 3.46Å; I1056-K1058 PolarHBondContact O-N 2.87Å; I1056-K1058 VanDerWaalsContact O-N 3.11Å; K1058-S1061 PolarHBondContact O-OG 2.94Å; K1058-Q1062 PolarHBondContact O-N 3.01Å |
| 1059 | R | 34.5 | Very low | 36.4 | Very low | 191 Ų | 191 | 97.3 Ų | 97.3 | 72% | 0.721 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63 | -51.4 | 179 | -155.7 | 169 | -172 | 155.5 | 3.8 | 109.9 | T1055 I1056 S1061 Q1062 E1063 | T1055-R1059 PolarHBondContact O-N 2.65Å; I1056-R1059 PolarHBondContact O-N 3.12Å; R1059-S1061 PolarHBondContact O-N 3.34Å; R1059-Q1062 WeakPolarHBondContact O-CB 3.31Å; R1059-Q1062 PolarHBondContact O-N 3.16Å; R1059-Q1062 VanDerWaalsContact O-N 3.12Å; R1059-E1063 WeakPolarHBondContact O-CG 3.4Å; R1059-E1063 PolarHBondContact O-N 2.88Å |
| 1060 | T | 36.6 | Very low | 37.4 | Very low | 34 Ų | 34 | 96.7 Ų | 96.7 | 21% | 0.209 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -69 | -29.8 | -176.2 | 56.7 | 0 | 0 | 0 | 0 | 114.8 | I1056 Q1062 L1064 L1097 | I1056-T1060 HydrophobicContact CG2-CG2 4Å; I1056-T1060 PolarHBondContact O-N 3.31Å; I1056-T1060 PolarHBondContact O-OG1 3.29Å; T1060-Q1062 VanDerWaalsContact C-N 3.29Å; T1060-L1064 WeakPolarHBondContact O-CB 3.44Å; T1060-L1064 PolarHBondContact O-N 2.74Å; T1060-L1097 WeakPolarHBondContact OG1-CD1 3.26Å; T1060-L1097 WeakPolarHBondContact OG1-CD2 3.24Å |
| 1061 | S | 41 | Very low | 38 | Very low | 64 Ų | 64 | 93.5 Ų | 93.5 | 45% | 0.448 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -73.5 | -23 | 173.2 | 69.1 | 0 | 0 | 0 | 0 | 113 | L1057 K1058 R1059 R1065 | L1057-S1061 WeakPolarHBondContact O-CB 3.42Å; L1057-S1061 PolarHBondContact O-N 3.19Å; L1057-S1061 PolarHBondContact O-OG 3.42Å; L1057-S1061 VanDerWaalsContact O-OG 3.12Å; K1058-S1061 PolarHBondContact O-OG 2.94Å; R1059-S1061 PolarHBondContact O-N 3.34Å; S1061-R1065 PolarHBondContact O-N 2.99Å |
| 1062 | Q | 44.5 | Very low | 38.7 | Very low | 92 Ų | 92 | 92.3 Ų | 92.3 | 43% | 0.43 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -81.2 | -40.1 | 174.4 | -163.3 | 162.1 | -9.4 | 0 | 0 | 111.4 | P1025 K1058 R1059 T1060 R1065 Y1066 | P1025-Q1062 PolarHBondContact O-NE2 3.32Å; K1058-Q1062 PolarHBondContact O-N 3.01Å; R1059-Q1062 WeakPolarHBondContact O-CB 3.31Å; R1059-Q1062 PolarHBondContact O-N 3.16Å; R1059-Q1062 VanDerWaalsContact O-N 3.12Å; T1060-Q1062 VanDerWaalsContact C-N 3.29Å; Q1062-R1065 PolarHBondContact O-N 3.11Å; Q1062-Y1066 PolarHBondContact O-N 3.18Å |
| 1063 | E | 41.8 | Very low | 39.1 | Very low | 76 Ų | 76 | 93.6 Ų | 93.6 | 36% | 0.355 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -52.6 | -52.1 | 165.4 | -62.5 | -75.7 | 167.6 | 0 | 0 | 110.7 | I1029 R1059 R1065 Y1066 T1067 | I1029-E1063 WeakPolarHBondContact CD1-OE2 3.5Å; R1059-E1063 WeakPolarHBondContact O-CG 3.4Å; R1059-E1063 PolarHBondContact O-N 2.88Å; E1063-R1065 VanDerWaalsContact C-N 3.31Å; E1063-R1065 PolarHBondContact O-N 3.05Å; E1063-Y1066 CarbonylContact O-C 3.44Å; E1063-Y1066 WeakPolarHBondContact O-CA 3.28Å; E1063-Y1066 VanDerWaalsContact O-CB 3.3Å; E1063-Y1066 WeakPolarHBondContact O-CB 3.15Å; E1063-Y1066 PolarHBondContact O-N 3.11Å; E1063-T1067 PolarHBondContact O-N 3.06Å; E1063-T1067 PolarHBondContact O-OG1 3.09Å; E1063-T1067 VanDerWaalsContact O-OG1 3.06Å |
| 1064 | L | 41.9 | Very low | 39.7 | Very low | 23 Ų | 23 | 89.9 Ų | 89.9 | 12% | 0.12 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -58.5 | -38.3 | -178.5 | -120.7 | 172.4 | 0 | 0 | 0 | 113.4 | T1060 Y1066 T1067 L1068 I1093 W1094 L1097 | T1060-L1064 WeakPolarHBondContact O-CB 3.44Å; T1060-L1064 PolarHBondContact O-N 2.74Å; L1064-Y1066 VanDerWaalsContact C-N 3.33Å; L1064-T1067 PolarHBondContact O-N 3.28Å; L1064-L1068 HydrophobicContact CD2-CD1 3.99Å; L1064-L1068 HydrophobicContact CD2-CG 4.18Å; L1064-L1068 WeakPolarHBondContact O-CB 3.41Å; L1064-L1068 WeakPolarHBondContact O-CG 3.36Å; L1064-L1068 PolarHBondContact O-N 3.23Å; L1064-I1093 HydrophobicContact CD1-CG2 4.04Å; L1064-I1093 HydrophobicContact CG-CG2 4.05Å; L1064-W1094 HydrophobicContact CD1-CB 4.26Å; L1064-L1097 HydrophobicContact CD1-CD1 3.88Å |
| 1065 | R | 47 | Very low | 39.9 | Very low | 195 Ų | 195 | 91.6 Ų | 91.6 | 74% | 0.736 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -64 | -38.4 | 172.7 | -96.4 | -173.6 | 174.5 | -177.4 | 0.3 | 112 | S1061 Q1062 E1063 N1069 | S1061-R1065 PolarHBondContact O-N 2.99Å; Q1062-R1065 PolarHBondContact O-N 3.11Å; E1063-R1065 VanDerWaalsContact C-N 3.31Å; E1063-R1065 PolarHBondContact O-N 3.05Å; R1065-N1069 WeakPolarHBondContact O-CB 3.23Å; R1065-N1069 VanDerWaalsContact O-CG 3.3Å; R1065-N1069 PolarHBondContact O-N 3.47Å; R1065-N1069 VanDerWaalsContact O-N 3.15Å |
| 1066 | Y | 44.6 | Very low | 40.2 | Very low | 144 Ų | 144 | 96.2 Ų | 96.2 | 57% | 0.565 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.3 | -46.5 | 175.6 | -125.7 | -89.9 | 0 | 0 | 0 | 111.2 | P1027 Q1062 E1063 L1064 N1069 Y1070 | P1027-Y1066 HydrophobicContact CB-CE2 4.4Å; P1027-Y1066 HydrophobicContact CG-CE2 3.96Å; Q1062-Y1066 PolarHBondContact O-N 3.18Å; E1063-Y1066 CarbonylContact O-C 3.44Å; E1063-Y1066 WeakPolarHBondContact O-CA 3.28Å; E1063-Y1066 VanDerWaalsContact O-CB 3.3Å; E1063-Y1066 WeakPolarHBondContact O-CB 3.15Å; E1063-Y1066 PolarHBondContact O-N 3.11Å; L1064-Y1066 VanDerWaalsContact C-N 3.33Å; Y1066-N1069 PolarHBondContact O-N 3.09Å; Y1066-Y1070 WeakPolarHBondContact O-CB 3.41Å; Y1066-Y1070 PolarHBondContact O-N 3.29Å |
| 1067 | T | 42.8 | Very low | 40.5 | Very low | 33 Ų | 33 | 96.2 Ų | 96.2 | 20% | 0.202 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 177.5 | -43.2 | 0 | 0 | 0 | 0 | 111.9 | E1063 L1064 N1069 Y1070 C1071 A1090 | E1063-T1067 PolarHBondContact O-N 3.06Å; E1063-T1067 PolarHBondContact O-OG1 3.09Å; E1063-T1067 VanDerWaalsContact O-OG1 3.06Å; L1064-T1067 PolarHBondContact O-N 3.28Å; T1067-N1069 PolarHBondContact O-N 3.07Å; T1067-Y1070 PolarHBondContact O-N 3.37Å; T1067-C1071 PolarHBondContact O-N 2.94Å; T1067-C1071 PolarHBondContact O-SG 3.24Å; T1067-C1071 VanDerWaalsContact O-SG 3.32Å; T1067-A1090 HydrophobicContact CG2-CB 4.31Å |
| 1068 | L | 44.7 | Very low | 40.6 | Very low | 108 Ų | 108 | 101 Ų | 101 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.7 | -42.9 | 178.5 | -79 | 165.7 | 0 | 0 | 0 | 112.5 | L1064 Y1070 C1071 S1072 | L1064-L1068 HydrophobicContact CD2-CD1 3.99Å; L1064-L1068 HydrophobicContact CD2-CG 4.18Å; L1064-L1068 WeakPolarHBondContact O-CB 3.41Å; L1064-L1068 WeakPolarHBondContact O-CG 3.36Å; L1064-L1068 PolarHBondContact O-N 3.23Å; L1068-Y1070 VanDerWaalsContact C-N 3.34Å; L1068-C1071 PolarHBondContact O-N 2.92Å; L1068-S1072 PolarHBondContact O-N 3.2Å; L1068-S1072 VanDerWaalsContact O-N 3.16Å |
| 1069 | N | 48.1 | Very low | 41 | Very low | 111 Ų | 111 | 98.3 Ų | 98.3 | 59% | 0.594 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.7 | -40 | 174.6 | -73.9 | -8.3 | 0 | 0 | 0 | 111.3 | R1065 Y1066 T1067 S1072 S1073 | R1065-N1069 WeakPolarHBondContact O-CB 3.23Å; R1065-N1069 VanDerWaalsContact O-CG 3.3Å; R1065-N1069 PolarHBondContact O-N 3.47Å; R1065-N1069 VanDerWaalsContact O-N 3.15Å; Y1066-N1069 PolarHBondContact O-N 3.09Å; T1067-N1069 PolarHBondContact O-N 3.07Å; N1069-S1072 WeakPolarHBondContact O-CB 3.31Å; N1069-S1072 PolarHBondContact O-N 3.29Å; N1069-S1072 VanDerWaalsContact O-N 3.14Å; N1069-S1072 PolarHBondContact O-OG 2.94Å; N1069-S1073 PolarHBondContact O-N 2.8Å; N1069-S1073 PolarHBondContact O-OG 3.03Å |
| 1070 | Y | 42.3 | Very low | 41.1 | Very low | 141 Ų | 141 | 98.5 Ų | 98.5 | 55% | 0.553 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.5 | -39.3 | 177.9 | -164.5 | -117.7 | 0 | 0 | 0 | 112.5 | Y1066 T1067 L1068 S1072 S1073 I1074 | Y1066-Y1070 WeakPolarHBondContact O-CB 3.41Å; Y1066-Y1070 PolarHBondContact O-N 3.29Å; T1067-Y1070 PolarHBondContact O-N 3.37Å; L1068-Y1070 VanDerWaalsContact C-N 3.34Å; Y1070-S1072 VanDerWaalsContact C-N 3.29Å; Y1070-S1072 PolarHBondContact O-N 3.44Å; Y1070-S1073 WeakPolarHBondContact CA-OG 3.29Å; Y1070-S1073 PolarHBondContact O-N 3.14Å; Y1070-S1073 PolarHBondContact O-OG 3.15Å; Y1070-I1074 HydrophobicContact CD1-CD1 3.75Å; Y1070-I1074 HydrophobicContact CE1-CD1 3.6Å; Y1070-I1074 HydrophobicContact CG-CD1 4.49Å; Y1070-I1074 PolarHBondContact O-N 3.36Å |
| 1071 | C | 38.4 | Very low | 41.2 | Very low | 52 Ų | 52 | 100.6 Ų | 100.6 | 35% | 0.351 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.2 | -36.5 | 170.9 | -70.2 | 0 | 0 | 0 | 0 | 112.3 | T1067 L1068 S1073 I1074 | T1067-C1071 PolarHBondContact O-N 2.94Å; T1067-C1071 PolarHBondContact O-SG 3.24Å; T1067-C1071 VanDerWaalsContact O-SG 3.32Å; L1068-C1071 PolarHBondContact O-N 2.92Å; C1071-S1073 VanDerWaalsContact C-N 3.28Å; C1071-S1073 PolarHBondContact O-N 3.16Å; C1071-I1074 PolarHBondContact O-N 3.16Å |
| 1072 | S | 41.4 | Very low | 41.2 | Very low | 87 Ų | 87 | 103.4 Ų | 103.4 | 61% | 0.608 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.4 | -29 | 176.8 | 80.2 | 0 | 0 | 0 | 0 | 113.6 | L1068 N1069 Y1070 | L1068-S1072 PolarHBondContact O-N 3.2Å; L1068-S1072 VanDerWaalsContact O-N 3.16Å; N1069-S1072 WeakPolarHBondContact O-CB 3.31Å; N1069-S1072 PolarHBondContact O-N 3.29Å; N1069-S1072 VanDerWaalsContact O-N 3.14Å; N1069-S1072 PolarHBondContact O-OG 2.94Å; Y1070-S1072 VanDerWaalsContact C-N 3.29Å; Y1070-S1072 PolarHBondContact O-N 3.44Å |
| 1073 | S | 39.3 | Very low | 41.2 | Very low | 74 Ų | 74 | 102.3 Ų | 102.3 | 52% | 0.517 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -83.4 | -15.9 | 175 | 40.8 | 0 | 0 | 0 | 0 | 114.7 | N1069 Y1070 C1071 | N1069-S1073 PolarHBondContact O-N 2.8Å; N1069-S1073 PolarHBondContact O-OG 3.03Å; Y1070-S1073 WeakPolarHBondContact CA-OG 3.29Å; Y1070-S1073 PolarHBondContact O-N 3.14Å; Y1070-S1073 PolarHBondContact O-OG 3.15Å; C1071-S1073 VanDerWaalsContact C-N 3.28Å; C1071-S1073 PolarHBondContact O-N 3.16Å |
| 1074 | I | 39.2 | Very low | 41.1 | Very low | 42 Ų | 42 | 106.2 Ų | 106.2 | 22% | 0.215 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -84.9 | -10 | 178.8 | -73.9 | 171.8 | 0 | 0 | 0 | 112.3 | Y1070 C1071 Q1076 T1077 V1083 L1086 | Y1070-I1074 HydrophobicContact CD1-CD1 3.75Å; Y1070-I1074 HydrophobicContact CE1-CD1 3.6Å; Y1070-I1074 HydrophobicContact CG-CD1 4.49Å; Y1070-I1074 PolarHBondContact O-N 3.36Å; C1071-I1074 PolarHBondContact O-N 3.16Å; I1074-Q1076 PolarHBondContact O-N 2.73Å; I1074-T1077 PolarHBondContact O-N 2.69Å; I1074-T1077 PolarHBondContact O-OG1 2.9Å; I1074-V1083 HydrophobicContact CG2-CG2 4.23Å; I1074-L1086 HydrophobicContact CD1-CD1 4.36Å |
| 1075 | A | 35.5 | Very low | 41.2 | Very low | 87 Ų | 87 | 113.5 Ų | 113.5 | 72% | 0.719 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | 21.9 | 176 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1076 | Q | 40.1 | Very low | 41.1 | Very low | 181 Ų | 181 | 106.9 Ų | 106.9 | 85% | 0.846 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.1 | 12.6 | 175.7 | -63.4 | -171.9 | -8.6 | 0 | 0 | 112.9 | I1074 | I1074-Q1076 PolarHBondContact O-N 2.73Š|
| 1077 | T | 37.5 | Very low | 41 | Very low | 92 Ų | 92 | 101.5 Ų | 101.5 | 56% | 0.564 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -134.5 | 125 | 178.3 | 55.1 | 0 | 0 | 0 | 0 | 111.7 | I1074 D1079 | I1074-T1077 PolarHBondContact O-N 2.69Å; I1074-T1077 PolarHBondContact O-OG1 2.9Å; T1077-D1079 PolarHBondContact O-N 3.31Å |
| 1078 | D | 35.4 | Very low | 41 | Very low | 173 Ų | 173 | 101.6 Ų | 101.6 | 93% | 0.925 | 54% | 0.541 | S | S | * | . | trans | -73 | 23.1 | -168.3 | -59.6 | -55.2 | 0 | 0 | 0 | 116.4 | Y1080 | D1078-Y1080 PolarHBondContact O-N 2.9Š| ||
| 1079 | D | 43.9 | Very low | 41.1 | Very low | 64 Ų | 64 | 99 Ų | 99 | 34% | 0.342 | 53% | 0.531 | S | S | . | . | trans | -95.7 | 77.6 | -178.3 | -168.5 | -5.2 | 0 | 0 | 0 | 112.6 | T1077 S1081 K1082 | T1077-D1079 PolarHBondContact O-N 3.31Å; D1079-S1081 PolarHBondContact O-N 3.03Å; D1079-S1081 WeakPolarHBondContact OD1-CB 3.12Å; D1079-S1081 PolarHBondContact OD1-N 3.34Å; D1079-S1081 PolarHBondContact OD1-OG 2.85Å; D1079-K1082 PolarHBondContact O-N 2.83Å; D1079-K1082 IonicContact OD2-NZ 2.71Å; D1079-K1082 PolarHBondContact OD2-NZ 3.49Å | ||
| 1080 | Y | 36.8 | Very low | 41.1 | Very low | 196 Ų | 196 | 94.5 Ų | 94.5 | 77% | 0.769 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -54.5 | -21.2 | 179.8 | -119.1 | -93.8 | 0 | 0 | 0 | 114.7 | D1078 | D1078-Y1080 PolarHBondContact O-N 2.9Å |
| 1081 | S | 38.3 | Very low | 41.2 | Very low | 78 Ų | 78 | 91.1 Ų | 91.1 | 55% | 0.545 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.8 | -47.5 | -175.2 | 71.5 | 0 | 0 | 0 | 0 | 112.3 | D1079 V1083 K1084 | D1079-S1081 PolarHBondContact O-N 3.03Å; D1079-S1081 WeakPolarHBondContact OD1-CB 3.12Å; D1079-S1081 PolarHBondContact OD1-N 3.34Å; D1079-S1081 PolarHBondContact OD1-OG 2.85Å; S1081-V1083 PolarHBondContact O-N 2.83Å; S1081-K1084 PolarHBondContact O-N 3.08Å |
| 1082 | K | 41.5 | Very low | 41.6 | Very low | 122 Ų | 122 | 91.8 Ų | 91.8 | 53% | 0.53 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.6 | -34.1 | -177 | -63.6 | -173 | 175.4 | 85.6 | 0 | 112.1 | D1079 K1084 Y1085 L1086 | D1079-K1082 PolarHBondContact O-N 2.83Å; D1079-K1082 IonicContact OD2-NZ 2.71Å; D1079-K1082 PolarHBondContact OD2-NZ 3.49Å; K1082-K1084 VanDerWaalsContact C-N 3.28Å; K1082-K1084 PolarHBondContact O-N 2.87Å; K1082-Y1085 PolarHBondContact O-N 3.17Å; K1082-L1086 PolarHBondContact O-N 2.95Å |
| 1083 | V | 44.9 | Very low | 42 | Very low | 70 Ų | 70 | 90 Ų | 90 | 42% | 0.424 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.4 | -42.8 | 176.3 | -177.9 | 0 | 0 | 0 | 0 | 110.7 | I1074 S1081 Y1085 L1086 A1087 | I1074-V1083 HydrophobicContact CG2-CG2 4.23Å; S1081-V1083 PolarHBondContact O-N 2.83Å; V1083-Y1085 PolarHBondContact O-N 2.89Å; V1083-L1086 PolarHBondContact O-N 3.35Å; V1083-A1087 VanDerWaalsContact O-CB 3.26Å; V1083-A1087 WeakPolarHBondContact O-CB 3.49Å; V1083-A1087 PolarHBondContact O-N 3.38Å |
| 1084 | K | 40.6 | Very low | 42.4 | Very low | 158 Ų | 158 | 90.1 Ų | 90.1 | 69% | 0.687 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -68.3 | -35.5 | -177.2 | -151.4 | 161.1 | -170.5 | 163.8 | 0 | 112.9 | S1081 K1082 G1088 | S1081-K1084 PolarHBondContact O-N 3.08Å; K1082-K1084 VanDerWaalsContact C-N 3.28Å; K1082-K1084 PolarHBondContact O-N 2.87Å; K1084-G1088 PolarHBondContact O-N 3.45Å; K1084-G1088 VanDerWaalsContact O-N 3.13Å |
| 1085 | Y | 43.1 | Very low | 42.9 | Very low | 175 Ų | 175 | 90.7 Ų | 90.7 | 69% | 0.686 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -75 | -39.2 | 177.1 | -144.9 | -80.9 | 0 | 0 | 0 | 112.4 | K1082 V1083 S1089 | K1082-Y1085 PolarHBondContact O-N 3.17Å; V1083-Y1085 PolarHBondContact O-N 2.89Å; Y1085-S1089 WeakPolarHBondContact O-CB 3.49Å; Y1085-S1089 PolarHBondContact O-N 3.41Å; Y1085-S1089 VanDerWaalsContact O-N 3.1Å; Y1085-S1089 PolarHBondContact O-OG 3.36Å |
| 1086 | L | 45 | Very low | 43.4 | Very low | 57 Ų | 57 | 93.7 Ų | 93.7 | 30% | 0.298 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.7 | -40.1 | 172.7 | -80.7 | 164 | 0 | 0 | 0 | 111.8 | I1074 K1082 V1083 S1089 A1090 | I1074-L1086 HydrophobicContact CD1-CD1 4.36Å; K1082-L1086 PolarHBondContact O-N 2.95Å; V1083-L1086 PolarHBondContact O-N 3.35Å; L1086-S1089 PolarHBondContact O-N 2.86Å; L1086-A1090 WeakPolarHBondContact O-CB 3.35Å; L1086-A1090 PolarHBondContact O-N 3.1Å |
| 1087 | A | 42.3 | Very low | 43.8 | Very low | 30 Ų | 30 | 86.1 Ų | 86.1 | 25% | 0.248 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -60.6 | -48.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | V1083 S1089 A1090 Y1091 L1173 | V1083-A1087 VanDerWaalsContact O-CB 3.26Å; V1083-A1087 WeakPolarHBondContact O-CB 3.49Å; V1083-A1087 PolarHBondContact O-N 3.38Å; A1087-S1089 VanDerWaalsContact C-N 3.27Å; A1087-S1089 PolarHBondContact O-N 3.34Å; A1087-A1090 PolarHBondContact O-N 3.36Å; A1087-Y1091 WeakPolarHBondContact O-CB 3.43Å; A1087-Y1091 PolarHBondContact O-N 3.38Å; A1087-L1173 HydrophobicContact CB-CD1 4.26Å |
| 1088 | G | 43.6 | Very low | 44.5 | Very low | 36 Ų | 36 | 82.2 Ų | 82.2 | 37% | 0.371 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.6 | -34.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | K1084 S1092 | K1084-G1088 PolarHBondContact O-N 3.45Å; K1084-G1088 VanDerWaalsContact O-N 3.13Å; G1088-S1092 WeakPolarHBondContact O-CB 3.19Å; G1088-S1092 PolarHBondContact O-N 2.93Å; G1088-S1092 PolarHBondContact O-OG 2.96Å |
| 1089 | S | 46.7 | Very low | 45.1 | Very low | 52 Ų | 52 | 76.3 Ų | 76.3 | 36% | 0.364 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -69.8 | -48.2 | 176.4 | -56.5 | 0 | 0 | 0 | 0 | 112 | Y1085 L1086 A1087 Y1091 S1092 I1093 | Y1085-S1089 WeakPolarHBondContact O-CB 3.49Å; Y1085-S1089 PolarHBondContact O-N 3.41Å; Y1085-S1089 VanDerWaalsContact O-N 3.1Å; Y1085-S1089 PolarHBondContact O-OG 3.36Å; L1086-S1089 PolarHBondContact O-N 2.86Å; A1087-S1089 VanDerWaalsContact C-N 3.27Å; A1087-S1089 PolarHBondContact O-N 3.34Å; S1089-Y1091 VanDerWaalsContact C-N 3.34Å; S1089-Y1091 PolarHBondContact O-N 2.86Å; S1089-S1092 PolarHBondContact O-N 2.87Å; S1089-I1093 WeakPolarHBondContact O-CG1 3.46Å; S1089-I1093 PolarHBondContact O-N 3.32Å; S1089-I1093 VanDerWaalsContact O-N 3.09Å |
| 1090 | A | 46.7 | Very low | 45.4 | Very low | 18 Ų | 18 | 74.8 Ų | 74.8 | 15% | 0.149 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.3 | -39.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T1067 L1086 A1087 I1093 W1094 | T1067-A1090 HydrophobicContact CG2-CB 4.31Å; L1086-A1090 WeakPolarHBondContact O-CB 3.35Å; L1086-A1090 PolarHBondContact O-N 3.1Å; A1087-A1090 PolarHBondContact O-N 3.36Å; A1090-I1093 PolarHBondContact O-N 3.08Å; A1090-W1094 WeakPolarHBondContact O-CB 3.46Å; A1090-W1094 PolarHBondContact O-N 3.26Å |
| 1091 | Y | 45.8 | Very low | 46 | Very low | 70 Ų | 70 | 72.2 Ų | 72.2 | 28% | 0.275 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 174.7 | -176.6 | -89.3 | 0 | 0 | 0 | 111.2 | A1087 S1089 W1094 F1095 V1175 | A1087-Y1091 WeakPolarHBondContact O-CB 3.43Å; A1087-Y1091 PolarHBondContact O-N 3.38Å; S1089-Y1091 VanDerWaalsContact C-N 3.34Å; S1089-Y1091 PolarHBondContact O-N 2.86Å; Y1091-W1094 PolarHBondContact O-N 3.17Å; Y1091-F1095 AromaticContact CD1-CD2 3.92Å; Y1091-F1095 HydrophobicContact CD1-CD2 3.92Å; Y1091-F1095 HydrophobicContact CD1-CE2 4.29Å; Y1091-F1095 HydrophobicContact CD2-CD2 4.48Å; Y1091-F1095 HydrophobicContact CD2-CE2 4.42Å; Y1091-F1095 AromaticContact CE1-CD2 3.6Å; Y1091-F1095 HydrophobicContact CE1-CD2 3.6Å; Y1091-F1095 AromaticContact CE1-CE2 3.59Å; Y1091-F1095 HydrophobicContact CE1-CE2 3.59Å; Y1091-F1095 HydrophobicContact CE1-CG 4.47Å; Y1091-F1095 HydrophobicContact CE1-CZ 4.42Å; Y1091-F1095 HydrophobicContact CE2-CD2 4.21Å; Y1091-F1095 AromaticContact CE2-CE2 3.74Å; Y1091-F1095 HydrophobicContact CE2-CE2 3.74Å; Y1091-F1095 HydrophobicContact CG-CD2 4.34Å; Y1091-F1095 AromaticContact CZ-CD2 3.76Å; Y1091-F1095 AromaticContact CZ-CE2 3.26Å; Y1091-F1095 WeakPolarHBondContact O-CB 3.38Å; Y1091-F1095 WeakPolarHBondContact O-CD2 3.49Å; Y1091-F1095 PolarHBondContact O-N 2.93Å; Y1091-F1095 VanDerWaalsContact OH-CE2 3.28Å; Y1091-F1095 WeakPolarHBondContact OH-CE2 3.39Å; Y1091-V1175 HydrophobicContact CE2-CG2 3.9Å; Y1091-V1175 WeakPolarHBondContact OH-CG1 3.03Å; Y1091-V1175 WeakPolarHBondContact OH-CG2 3.43Å |
| 1092 | S | 46.1 | Very low | 46.5 | Very low | 65 Ų | 65 | 69.3 Ų | 69.3 | 46% | 0.455 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 177.6 | -59.4 | 0 | 0 | 0 | 0 | 112.9 | G1088 S1089 M1096 | G1088-S1092 WeakPolarHBondContact O-CB 3.19Å; G1088-S1092 PolarHBondContact O-N 2.93Å; G1088-S1092 PolarHBondContact O-OG 2.96Å; S1089-S1092 PolarHBondContact O-N 2.87Å; S1092-M1096 PolarHBondContact O-N 3.01Å; S1092-M1096 VanDerWaalsContact O-N 3.16Å |
| 1093 | I | 49.9 | Very low | 46.9 | Very low | 51 Ų | 51 | 65.5 Ų | 65.5 | 26% | 0.262 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.2 | -41.4 | 176 | -64.9 | 166.5 | 0 | 0 | 0 | 111 | L1064 S1089 A1090 M1096 L1097 | L1064-I1093 HydrophobicContact CD1-CG2 4.04Å; L1064-I1093 HydrophobicContact CG-CG2 4.05Å; S1089-I1093 WeakPolarHBondContact O-CG1 3.46Å; S1089-I1093 PolarHBondContact O-N 3.32Å; S1089-I1093 VanDerWaalsContact O-N 3.09Å; A1090-I1093 PolarHBondContact O-N 3.08Å; I1093-M1096 PolarHBondContact O-N 2.88Å; I1093-L1097 HydrophobicContact CG2-CD1 4.05Å; I1093-L1097 WeakPolarHBondContact O-CD1 3.21Å; I1093-L1097 WeakPolarHBondContact O-CG 3.3Å; I1093-L1097 PolarHBondContact O-N 3.33Å |
| 1094 | W | 47.4 | Very low | 47 | Very low | 75 Ų | 75 | 65.3 Ų | 65.3 | 28% | 0.284 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 174.9 | -173 | 76 | 0 | 0 | 0 | 111.3 | L1064 A1090 Y1091 M1096 L1097 L1098 V1164 | L1064-W1094 HydrophobicContact CD1-CB 4.26Å; A1090-W1094 WeakPolarHBondContact O-CB 3.46Å; A1090-W1094 PolarHBondContact O-N 3.26Å; Y1091-W1094 PolarHBondContact O-N 3.17Å; W1094-M1096 PolarHBondContact O-N 3.11Å; W1094-L1097 PolarHBondContact O-N 3.11Å; W1094-L1098 HydrophobicContact CE3-CD2 4.39Å; W1094-L1098 HydrophobicContact CH2-CD1 4Å; W1094-L1098 HydrophobicContact CH2-CD2 4Å; W1094-L1098 HydrophobicContact CZ2-CD1 3.78Å; W1094-L1098 HydrophobicContact CZ3-CD2 3.9Å; W1094-L1098 WeakPolarHBondContact O-CB 3.13Å; W1094-L1098 PolarHBondContact O-N 3.33Å; W1094-V1164 HydrophobicContact CH2-CG1 4.48Å; W1094-V1164 HydrophobicContact CZ2-CG1 3.83Å |
| 1095 | F | 50.2 | Low | 47.2 | Very low | 55 Ų | 55 | 59.2 Ų | 59.2 | 24% | 0.241 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.9 | -40.4 | 176 | -104.8 | -93.8 | 0 | 0 | 0 | 113.9 | Y1091 L1097 V1179 I1183 | Y1091-F1095 AromaticContact CD1-CD2 3.92Å; Y1091-F1095 HydrophobicContact CD1-CD2 3.92Å; Y1091-F1095 HydrophobicContact CD1-CE2 4.29Å; Y1091-F1095 HydrophobicContact CD2-CD2 4.48Å; Y1091-F1095 HydrophobicContact CD2-CE2 4.42Å; Y1091-F1095 AromaticContact CE1-CD2 3.6Å; Y1091-F1095 HydrophobicContact CE1-CD2 3.6Å; Y1091-F1095 AromaticContact CE1-CE2 3.59Å; Y1091-F1095 HydrophobicContact CE1-CE2 3.59Å; Y1091-F1095 HydrophobicContact CE1-CG 4.47Å; Y1091-F1095 HydrophobicContact CE1-CZ 4.42Å; Y1091-F1095 HydrophobicContact CE2-CD2 4.21Å; Y1091-F1095 AromaticContact CE2-CE2 3.74Å; Y1091-F1095 HydrophobicContact CE2-CE2 3.74Å; Y1091-F1095 HydrophobicContact CG-CD2 4.34Å; Y1091-F1095 AromaticContact CZ-CD2 3.76Å; Y1091-F1095 AromaticContact CZ-CE2 3.26Å; Y1091-F1095 WeakPolarHBondContact O-CB 3.38Å; Y1091-F1095 WeakPolarHBondContact O-CD2 3.49Å; Y1091-F1095 PolarHBondContact O-N 2.93Å; Y1091-F1095 VanDerWaalsContact OH-CE2 3.28Å; Y1091-F1095 WeakPolarHBondContact OH-CE2 3.39Å; F1095-L1097 PolarHBondContact O-N 3.15Å; F1095-V1179 HydrophobicContact CE1-CG1 3.3Å; F1095-V1179 HydrophobicContact CZ-CG1 3.43Å; F1095-V1179 VanDerWaalsContact CZ-CG1 3.43Å; F1095-I1183 HydrophobicContact CE1-CD1 3.72Å; F1095-I1183 HydrophobicContact CE1-CG1 4.49Å; F1095-I1183 HydrophobicContact CZ-CD1 3.98Å |
| 1096 | M | 46.6 | Very low | 47.4 | Very low | 150 Ų | 150 | 53.2 Ų | 53.2 | 74% | 0.739 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -67.5 | -18.6 | 175.7 | -76.7 | -169.8 | -76.7 | 0 | 0 | 113.9 | S1092 I1093 W1094 | S1092-M1096 PolarHBondContact O-N 3.01Å; S1092-M1096 VanDerWaalsContact O-N 3.16Å; I1093-M1096 PolarHBondContact O-N 2.88Å; W1094-M1096 PolarHBondContact O-N 3.11Å |
| 1097 | L | 48.2 | Very low | 47.6 | Very low | 21 Ų | 21 | 55 Ų | 55 | 11% | 0.11 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -103.6 | -20.6 | -178.6 | -62.1 | 167.2 | 0 | 0 | 0 | 113.4 | L1057 T1060 L1064 I1093 W1094 F1095 P1099 G1100 Y1101 | L1057-L1097 HydrophobicContact CD2-CD2 3.56Å; L1057-L1097 HydrophobicContact CG-CD2 3.93Å; T1060-L1097 WeakPolarHBondContact OG1-CD1 3.26Å; T1060-L1097 WeakPolarHBondContact OG1-CD2 3.24Å; L1064-L1097 HydrophobicContact CD1-CD1 3.88Å; I1093-L1097 HydrophobicContact CG2-CD1 4.05Å; I1093-L1097 WeakPolarHBondContact O-CD1 3.21Å; I1093-L1097 WeakPolarHBondContact O-CG 3.3Å; I1093-L1097 PolarHBondContact O-N 3.33Å; W1094-L1097 PolarHBondContact O-N 3.11Å; F1095-L1097 PolarHBondContact O-N 3.15Å; L1097-P1099 VanDerWaalsContact C-CD 3.48Å; L1097-G1100 PolarHBondContact O-N 3.22Å; L1097-G1100 VanDerWaalsContact O-N 3.07Å; L1097-Y1101 PolarHBondContact O-N 3.33Å |
| 1098 | L | 51.5 | Low | 47.8 | Very low | 11 Ų | 11 | 60.6 Ų | 60.6 | 6% | 0.058 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -53.9 | -40.5 | -175 | -168.7 | 61.6 | 0 | 0 | 0 | 114 | W1094 L1102 I1183 | W1094-L1098 HydrophobicContact CE3-CD2 4.39Å; W1094-L1098 HydrophobicContact CH2-CD1 4Å; W1094-L1098 HydrophobicContact CH2-CD2 4Å; W1094-L1098 HydrophobicContact CZ2-CD1 3.78Å; W1094-L1098 HydrophobicContact CZ3-CD2 3.9Å; W1094-L1098 WeakPolarHBondContact O-CB 3.13Å; W1094-L1098 PolarHBondContact O-N 3.33Å; L1098-L1102 HydrophobicContact CD1-CD1 3.69Å; L1098-L1102 HydrophobicContact CD1-CG 4.07Å; L1098-L1102 HydrophobicContact CG-CD1 3.8Å; L1098-L1102 HydrophobicContact CG-CG 4.48Å; L1098-L1102 WeakPolarHBondContact O-CB 3.44Å; L1098-L1102 WeakPolarHBondContact O-CG 3.34Å; L1098-L1102 PolarHBondContact O-N 2.89Å; L1098-I1183 HydrophobicContact CD2-CD1 3.62Å; L1098-I1183 HydrophobicContact CD2-CG1 4.33Å; L1098-I1183 HydrophobicContact CD2-CG2 4.31Å |
| 1099 | P | 49.3 | Very low | 47.8 | Very low | 48 Ų | 48 | 62.1 Ų | 62.1 | 31% | 0.312 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66 | -41.1 | 175.6 | -20.8 | 33.8 | 0 | 0 | 0 | 113 | L1097 S1103 | L1097-P1099 VanDerWaalsContact C-CD 3.48Å; P1099-S1103 WeakPolarHBondContact O-CB 3Å; P1099-S1103 PolarHBondContact O-N 3.18Å |
| 1100 | G | 48.7 | Very low | 47.6 | Very low | 32 Ų | 32 | 61.5 Ų | 61.5 | 33% | 0.33 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.6 | -39.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1097 S1104 | L1097-G1100 PolarHBondContact O-N 3.22Å; L1097-G1100 VanDerWaalsContact O-N 3.07Å; G1100-S1104 PolarHBondContact O-N 3.04Å; G1100-S1104 VanDerWaalsContact O-N 3.12Å; G1100-S1104 PolarHBondContact O-OG 3.18Å |
| 1101 | Y | 50.6 | Low | 47.4 | Very low | 142 Ų | 142 | 61.5 Ų | 61.5 | 56% | 0.557 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -63 | -53.1 | 173.1 | 178.1 | -107.2 | 0 | 0 | 0 | 111.2 | L1097 S1103 S1104 V1105 | L1097-Y1101 PolarHBondContact O-N 3.33Å; Y1101-S1103 PolarHBondContact O-N 3.46Å; Y1101-S1104 WeakPolarHBondContact O-CA 3.46Å; Y1101-S1104 PolarHBondContact O-N 3.35Å; Y1101-S1104 PolarHBondContact O-OG 2.73Å; Y1101-V1105 HydrophobicContact CD1-CG2 4.34Å; Y1101-V1105 HydrophobicContact CD2-CG2 4.46Å; Y1101-V1105 HydrophobicContact CE1-CG2 3.93Å; Y1101-V1105 HydrophobicContact CE2-CG2 4.08Å; Y1101-V1105 WeakPolarHBondContact O-CG2 3.3Å; Y1101-V1105 PolarHBondContact O-N 3.32Å |
| 1102 | L | 47.3 | Very low | 47 | Very low | 18 Ų | 18 | 63.5 Ų | 63.5 | 9% | 0.094 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -69.9 | -29.2 | -177.4 | -70.6 | 172.1 | 0 | 0 | 0 | 113.1 | L1098 V1105 Y1106 I1183 L1187 | L1098-L1102 HydrophobicContact CD1-CD1 3.69Å; L1098-L1102 HydrophobicContact CD1-CG 4.07Å; L1098-L1102 HydrophobicContact CG-CD1 3.8Å; L1098-L1102 HydrophobicContact CG-CG 4.48Å; L1098-L1102 WeakPolarHBondContact O-CB 3.44Å; L1098-L1102 WeakPolarHBondContact O-CG 3.34Å; L1098-L1102 PolarHBondContact O-N 2.89Å; L1102-V1105 PolarHBondContact O-N 3Å; L1102-Y1106 WeakPolarHBondContact O-CB 3.19Å; L1102-Y1106 PolarHBondContact O-N 3.05Å; L1102-I1183 HydrophobicContact CD1-CG2 4.09Å; L1102-L1187 HydrophobicContact CB-CD1 3.61Å; L1102-L1187 HydrophobicContact CB-CD2 3.58Å; L1102-L1187 HydrophobicContact CB-CG 4.26Å; L1102-L1187 HydrophobicContact CD1-CD1 3.49Å; L1102-L1187 VanDerWaalsContact CD1-CD1 3.49Å; L1102-L1187 HydrophobicContact CG-CD1 4.15Å |
| 1103 | S | 49.8 | Very low | 46.4 | Very low | 41 Ų | 41 | 61.5 Ų | 61.5 | 29% | 0.287 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 166.6 | 175.5 | 0 | 0 | 0 | 0 | 111.6 | P1099 Y1101 Y1106 K1107 | P1099-S1103 WeakPolarHBondContact O-CB 3Å; P1099-S1103 PolarHBondContact O-N 3.18Å; Y1101-S1103 PolarHBondContact O-N 3.46Å; S1103-Y1106 PolarHBondContact O-N 3.07Å; S1103-K1107 VanDerWaalsContact O-CB 3.28Å; S1103-K1107 WeakPolarHBondContact O-CB 3.44Å; S1103-K1107 PolarHBondContact O-N 2.71Å |
| 1104 | S | 46.9 | Very low | 45.7 | Very low | 67 Ų | 67 | 63.5 Ų | 63.5 | 47% | 0.469 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -69.9 | -33.2 | 176.5 | 72.6 | 0 | 0 | 0 | 0 | 113.9 | G1100 Y1101 Y1108 | G1100-S1104 PolarHBondContact O-N 3.04Å; G1100-S1104 VanDerWaalsContact O-N 3.12Å; G1100-S1104 PolarHBondContact O-OG 3.18Å; Y1101-S1104 WeakPolarHBondContact O-CA 3.46Å; Y1101-S1104 PolarHBondContact O-N 3.35Å; Y1101-S1104 PolarHBondContact O-OG 2.73Å; S1104-Y1108 WeakPolarHBondContact O-CB 2.89Å; S1104-Y1108 PolarHBondContact O-N 2.79Å |
| 1105 | V | 45.7 | Very low | 45.1 | Very low | 29 Ų | 29 | 66.2 Ų | 66.2 | 18% | 0.176 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -71.4 | -43.5 | 173.1 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | Y1101 L1102 K1107 Y1108 Y1109 I1157 | Y1101-V1105 HydrophobicContact CD1-CG2 4.34Å; Y1101-V1105 HydrophobicContact CD2-CG2 4.46Å; Y1101-V1105 HydrophobicContact CE1-CG2 3.93Å; Y1101-V1105 HydrophobicContact CE2-CG2 4.08Å; Y1101-V1105 WeakPolarHBondContact O-CG2 3.3Å; Y1101-V1105 PolarHBondContact O-N 3.32Å; L1102-V1105 PolarHBondContact O-N 3Å; V1105-K1107 VanDerWaalsContact C-N 3.34Å; V1105-K1107 PolarHBondContact O-N 3.13Å; V1105-Y1108 PolarHBondContact O-N 2.89Å; V1105-Y1109 HydrophobicContact CG1-CD2 3.94Å; V1105-Y1109 HydrophobicContact CG1-CE2 4.08Å; V1105-Y1109 WeakPolarHBondContact O-CD2 3.34Å; V1105-Y1109 PolarHBondContact O-N 2.9Å; V1105-Y1109 VanDerWaalsContact O-N 3.08Å; V1105-I1157 HydrophobicContact CG1-CG2 4.46Å |
| 1106 | Y | 47.9 | Very low | 44.2 | Very low | 50 Ų | 50 | 67.3 Ų | 67.3 | 20% | 0.196 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.6 | -46.1 | 175.3 | -179.8 | -83.8 | 0 | 0 | 0 | 111 | L1102 S1103 Y1109 T1110 N1191 I1193 | L1102-Y1106 WeakPolarHBondContact O-CB 3.19Å; L1102-Y1106 PolarHBondContact O-N 3.05Å; S1103-Y1106 PolarHBondContact O-N 3.07Å; Y1106-Y1109 PolarHBondContact O-N 2.82Å; Y1106-T1110 HydrophobicContact CD1-CG2 4.16Å; Y1106-T1110 HydrophobicContact CE1-CG2 3.36Å; Y1106-T1110 HydrophobicContact CE2-CG2 4.38Å; Y1106-T1110 VanDerWaalsContact CZ-CG2 3.5Å; Y1106-T1110 PolarHBondContact O-N 3.33Å; Y1106-T1110 PolarHBondContact O-OG1 3.35Å; Y1106-T1110 WeakPolarHBondContact OH-CG2 3.36Å; Y1106-N1191 HydrophobicContact CD1-CB 3.73Å; Y1106-N1191 WeakPolarHBondContact CD1-OD1 3.34Å; Y1106-N1191 HydrophobicContact CE1-CB 3.38Å; Y1106-N1191 VanDerWaalsContact CE1-CG 3.46Å; Y1106-N1191 HydrophobicContact CE2-CB 4.38Å; Y1106-N1191 HydrophobicContact CG-CB 4.4Å; Y1106-I1193 HydrophobicContact CE2-CD1 3.9Å; Y1106-I1193 VanDerWaalsContact OH-CD1 3.29Å; Y1106-I1193 WeakPolarHBondContact OH-CD1 3.21Å; Y1106-I1193 WeakPolarHBondContact OH-CG1 3.41Å |
| 1107 | K | 48.7 | Very low | 43.4 | Very low | 93 Ų | 93 | 63.5 Ų | 63.5 | 40% | 0.404 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56.8 | -51.5 | 174.2 | 178.2 | 162 | 172.8 | 149 | 0 | 111.7 | I236 S1103 V1105 Y1109 T1110 D1111 | I236-K1107 HydrophobicContact CD1-CD 4.23Å; S1103-K1107 VanDerWaalsContact O-CB 3.28Å; S1103-K1107 WeakPolarHBondContact O-CB 3.44Å; S1103-K1107 PolarHBondContact O-N 2.71Å; V1105-K1107 VanDerWaalsContact C-N 3.34Å; V1105-K1107 PolarHBondContact O-N 3.13Å; K1107-Y1109 PolarHBondContact O-N 3.13Å; K1107-T1110 VanDerWaalsContact CA-OG1 3.31Å; K1107-T1110 WeakPolarHBondContact CA-OG1 3.35Å; K1107-T1110 PolarHBondContact O-N 3.34Å; K1107-T1110 VanDerWaalsContact O-N 3.08Å; K1107-T1110 PolarHBondContact O-OG1 3.18Å; K1107-D1111 WeakPolarHBondContact O-CB 3.23Å; K1107-D1111 PolarHBondContact O-N 3.36Å; K1107-D1111 VanDerWaalsContact O-OD2 3.11Å |
| 1108 | Y | 46.7 | Very low | 42.6 | Very low | 148 Ų | 148 | 68.7 Ų | 68.7 | 58% | 0.58 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -54.1 | -37.5 | 177.3 | -178.6 | -85.5 | 0 | 0 | 0 | 113.4 | S1104 V1105 | S1104-Y1108 WeakPolarHBondContact O-CB 2.89Å; S1104-Y1108 PolarHBondContact O-N 2.79Å; V1105-Y1108 PolarHBondContact O-N 2.89Å |
| 1109 | Y | 42.5 | Very low | 41.5 | Very low | 69 Ų | 69 | 73.2 Ų | 73.2 | 27% | 0.271 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -84.5 | -26.4 | 176.8 | -81.3 | -66.8 | 0 | 0 | 0 | 114.6 | V1105 Y1106 K1107 D1111 E1112 M1113 I1157 | V1105-Y1109 HydrophobicContact CG1-CD2 3.94Å; V1105-Y1109 HydrophobicContact CG1-CE2 4.08Å; V1105-Y1109 WeakPolarHBondContact O-CD2 3.34Å; V1105-Y1109 PolarHBondContact O-N 2.9Å; V1105-Y1109 VanDerWaalsContact O-N 3.08Å; Y1106-Y1109 PolarHBondContact O-N 2.82Å; K1107-Y1109 PolarHBondContact O-N 3.13Å; Y1109-D1111 VanDerWaalsContact C-N 3.34Å; Y1109-E1112 PolarHBondContact O-N 3.28Å; Y1109-M1113 PolarHBondContact O-N 3.33Å; Y1109-M1113 VanDerWaalsContact O-N 3.13Å; Y1109-I1157 HydrophobicContact CD2-CD1 3.79Å; Y1109-I1157 HydrophobicContact CD2-CG1 3.9Å; Y1109-I1157 HydrophobicContact CE2-CG1 4.13Å; Y1109-I1157 HydrophobicContact CG-CD1 4.03Å; Y1109-I1157 HydrophobicContact CG-CG1 4.49Å |
| 1110 | T | 44.1 | Very low | 40.5 | Very low | 38 Ų | 38 | 74.4 Ų | 74.4 | 23% | 0.233 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -71.4 | -32.9 | 171.6 | 27.7 | 0 | 0 | 0 | 0 | 111.9 | Y1106 K1107 E1112 M1113 D1114 | Y1106-T1110 HydrophobicContact CD1-CG2 4.16Å; Y1106-T1110 HydrophobicContact CE1-CG2 3.36Å; Y1106-T1110 HydrophobicContact CE2-CG2 4.38Å; Y1106-T1110 VanDerWaalsContact CZ-CG2 3.5Å; Y1106-T1110 PolarHBondContact O-N 3.33Å; Y1106-T1110 PolarHBondContact O-OG1 3.35Å; Y1106-T1110 WeakPolarHBondContact OH-CG2 3.36Å; K1107-T1110 VanDerWaalsContact CA-OG1 3.31Å; K1107-T1110 WeakPolarHBondContact CA-OG1 3.35Å; K1107-T1110 PolarHBondContact O-N 3.34Å; K1107-T1110 VanDerWaalsContact O-N 3.08Å; K1107-T1110 PolarHBondContact O-OG1 3.18Å; T1110-E1112 PolarHBondContact O-N 2.91Å; T1110-E1112 VanDerWaalsContact O-N 3.16Å; T1110-M1113 WeakPolarHBondContact O-CA 3.42Å; T1110-M1113 PolarHBondContact O-N 3.26Å; T1110-D1114 PolarHBondContact O-N 3.47Å; T1110-D1114 VanDerWaalsContact O-N 3.08Å |
| 1111 | D | 42.3 | Very low | 39.5 | Very low | 18 Ų | 18 | 79.9 Ų | 79.9 | 10% | 0.096 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -65.8 | -11.8 | 172 | -60.8 | -31.4 | 0 | 0 | 0 | 113.8 | I236 N237 K1107 Y1109 | I236-D1111 WeakPolarHBondContact CG2-OD1 3.44Å; I236-D1111 WeakPolarHBondContact CG2-OD2 3.32Å; N237-D1111 HydrophobicContact CB-CB 4Å; N237-D1111 VanDerWaalsContact ND2-CG 3.33Å; N237-D1111 PolarHBondContact ND2-OD2 2.88Å; K1107-D1111 WeakPolarHBondContact O-CB 3.23Å; K1107-D1111 PolarHBondContact O-N 3.36Å; K1107-D1111 VanDerWaalsContact O-OD2 3.11Å; Y1109-D1111 VanDerWaalsContact C-N 3.34Å |
| 1112 | E | 36.4 | Very low | 38.4 | Very low | 113 Ų | 113 | 80.6 Ų | 80.6 | 53% | 0.528 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -95.2 | -33.3 | 163.5 | -70.4 | -164.5 | 137.5 | 0 | 0 | 112.4 | Y1109 T1110 D1114 N1115 | Y1109-E1112 PolarHBondContact O-N 3.28Å; T1110-E1112 PolarHBondContact O-N 2.91Å; T1110-E1112 VanDerWaalsContact O-N 3.16Å; E1112-D1114 PolarHBondContact O-N 3.41Å; E1112-N1115 PolarHBondContact O-N 2.92Å |
| 1113 | M | 33.8 | Very low | 37.3 | Very low | 23 Ų | 23 | 86.4 Ų | 86.4 | 11% | 0.113 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -66.3 | -26.8 | 178.7 | -83.2 | -79.3 | 164.4 | 0 | 0 | 115.1 | Y1109 T1110 N1115 I1116 N1117 V1150 I1153 | Y1109-M1113 PolarHBondContact O-N 3.33Å; Y1109-M1113 VanDerWaalsContact O-N 3.13Å; T1110-M1113 WeakPolarHBondContact O-CA 3.42Å; T1110-M1113 PolarHBondContact O-N 3.26Å; M1113-N1115 PolarHBondContact O-N 3.03Å; M1113-I1116 HydrophobicContact CE-CD1 4.21Å; M1113-I1116 CarbonylContact O-C 3.44Å; M1113-I1116 VanDerWaalsContact O-CA 3.31Å; M1113-I1116 WeakPolarHBondContact O-CA 3.32Å; M1113-I1116 VanDerWaalsContact O-CB 3.32Å; M1113-I1116 WeakPolarHBondContact O-CB 3.5Å; M1113-I1116 PolarHBondContact O-N 2.87Å; M1113-I1116 HydrophobicContact SD-CB 4.38Å; M1113-I1116 HydrophobicContact SD-CD1 4.03Å; M1113-N1117 PolarHBondContact O-N 3.22Å; M1113-V1150 HydrophobicContact CE-CG2 4.08Å; M1113-V1150 HydrophobicContact SD-CG2 4.13Å; M1113-I1153 HydrophobicContact CE-CB 4.24Å; M1113-I1153 HydrophobicContact CE-CD1 3.36Å; M1113-I1153 HydrophobicContact CE-CG1 4.37Å; M1113-I1153 HydrophobicContact CE-CG2 4.24Å |
| 1114 | D | 35.7 | Very low | 36.2 | Very low | 92 Ų | 92 | 89.7 Ų | 89.7 | 49% | 0.492 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -69.6 | -16.1 | 177.8 | -78.3 | -30.1 | 0 | 0 | 0 | 113.6 | T1110 E1112 I1116 N1117 | T1110-D1114 PolarHBondContact O-N 3.47Å; T1110-D1114 VanDerWaalsContact O-N 3.08Å; E1112-D1114 PolarHBondContact O-N 3.41Å; D1114-I1116 PolarHBondContact O-N 3.43Å; D1114-N1117 PolarHBondContact OD1-ND2 3.07Å |
| 1115 | N | 33.4 | Very low | 35.1 | Very low | 133 Ų | 133 | 94.5 Ų | 94.5 | 71% | 0.711 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -73.5 | -13.9 | 164.7 | -67.4 | -75.4 | 0 | 0 | 0 | 113.3 | E1112 M1113 | E1112-N1115 PolarHBondContact O-N 2.92Å; M1113-N1115 PolarHBondContact O-N 3.03Å |
| 1116 | I | 31.3 | Very low | 34.2 | Very low | 77 Ų | 77 | 98.5 Ų | 98.5 | 40% | 0.395 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -101.4 | -36.3 | 178.8 | -57.6 | 176.7 | 0 | 0 | 0 | 110.6 | M1113 D1114 H1118 C1119 | M1113-I1116 HydrophobicContact CE-CD1 4.21Å; M1113-I1116 CarbonylContact O-C 3.44Å; M1113-I1116 VanDerWaalsContact O-CA 3.31Å; M1113-I1116 WeakPolarHBondContact O-CA 3.32Å; M1113-I1116 VanDerWaalsContact O-CB 3.32Å; M1113-I1116 WeakPolarHBondContact O-CB 3.5Å; M1113-I1116 PolarHBondContact O-N 2.87Å; M1113-I1116 HydrophobicContact SD-CB 4.38Å; M1113-I1116 HydrophobicContact SD-CD1 4.03Å; D1114-I1116 PolarHBondContact O-N 3.43Å; I1116-H1118 PolarHBondContact O-N 3.11Å; I1116-C1119 WeakPolarHBondContact O-CA 3.47Å; I1116-C1119 WeakPolarHBondContact O-CB 3.44Å; I1116-C1119 PolarHBondContact O-N 3.01Å |
| 1117 | N | 30.2 | Very low | 33.1 | Very low | 71 Ų | 71 | 103.8 Ų | 103.8 | 38% | 0.38 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.6 | -30.2 | 176.9 | -73.6 | -28.9 | 0 | 0 | 0 | 113.1 | M1113 D1114 C1119 V1120 N1121 | M1113-N1117 PolarHBondContact O-N 3.22Å; D1114-N1117 PolarHBondContact OD1-ND2 3.07Å; N1117-C1119 PolarHBondContact O-N 2.98Å; N1117-C1119 VanDerWaalsContact O-N 3.14Å; N1117-V1120 PolarHBondContact O-N 3.15Å; N1117-N1121 PolarHBondContact O-N 2.91Å |
| 1118 | H | 31.7 | Very low | 31.9 | Very low | 130 Ų | 130 | 107 Ų | 107 | 60% | 0.602 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -19 | 172.7 | -159.9 | -16 | 0 | 0 | 0 | 113.3 | I1116 R2478 | I1116-H1118 PolarHBondContact O-N 3.11Å; H1118-R2478 PolarHBondContact NE2-NH1 3.48Å |
| 1119 | C | 27.5 | Very low | 31 | Very low | 105 Ų | 105 | 103.6 Ų | 103.6 | 71% | 0.709 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -7.5 | 174 | -68.1 | 0 | 0 | 0 | 0 | 114.2 | I1116 N1117 | I1116-C1119 WeakPolarHBondContact O-CA 3.47Å; I1116-C1119 WeakPolarHBondContact O-CB 3.44Å; I1116-C1119 PolarHBondContact O-N 3.01Å; N1117-C1119 PolarHBondContact O-N 2.98Å; N1117-C1119 VanDerWaalsContact O-N 3.14Å |
| 1120 | V | 28.3 | Very low | 30.1 | Very low | 73 Ų | 73 | 105 Ų | 105 | 44% | 0.442 | 59% | 0.593 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96 | -48.2 | -179.2 | 179.8 | 0 | 0 | 0 | 0 | 111.3 | N1117 K1122 L1123 | N1117-V1120 PolarHBondContact O-N 3.15Å; V1120-K1122 PolarHBondContact O-N 2.97Å; V1120-L1123 PolarHBondContact O-N 3.25Å |
| 1121 | N | 28.2 | Very low | 29.2 | Very low | 147 Ų | 147 | 110 Ų | 110 | 79% | 0.786 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | 31.1 | -174.4 | -70.3 | -5.6 | 0 | 0 | 0 | 114.6 | N1117 | N1117-N1121 PolarHBondContact O-N 2.91Š|
| 1122 | K | 26.9 | Very low | 28.4 | Very low | 157 Ų | 157 | 115.8 Ų | 115.8 | 68% | 0.683 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.3 | 10.8 | 166.7 | -145.9 | 168.2 | -171.4 | 169.2 | 0 | 113.1 | V1120 | V1120-K1122 PolarHBondContact O-N 2.97Š|
| 1123 | L | 24.8 | Very low | 27.9 | Very low | 140 Ų | 140 | 116.9 Ų | 116.9 | 73% | 0.733 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -119.5 | 141.9 | 168.5 | -82 | 88.5 | 0 | 0 | 0 | 112.3 | V1120 | V1120-L1123 PolarHBondContact O-N 3.25Š|
| 1124 | S | 27.2 | Very low | 27.5 | Very low | 110 Ų | 110 | 122.1 Ų | 122.1 | 77% | 0.769 | 69% | 0.687 | S | S | * | * | trans | 61.4 | 73.3 | 164.9 | 50.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1125 | N | 23.9 | Very low | 27 | Very low | 169 Ų | 169 | 124.4 Ų | 124.4 | 90% | 0.904 | 70% | 0.699 | S | S | * | * | -73.4 | 129.3 | 122.5 | -100.9 | -21.9 | 0 | 0 | 0 | 107.8 | |||||
| 1126 | P | 27.5 | Very low | 26.7 | Very low | 113 Ų | 113 | 124 Ų | 124 | 73% | 0.734 | 70% | 0.697 | S | S | * | * | trans | -94.6 | 125.4 | -175.9 | 33.4 | -32.1 | 0 | 0 | 0 | 113.6 | ||||
| 1127 | L | 24 | Very low | 26.4 | Very low | 161 Ų | 161 | 126.7 Ų | 126.7 | 84% | 0.843 | 71% | 0.712 | S | S | * | * | trans | -136.1 | 99.1 | 167.3 | -85.3 | 174.8 | 0 | 0 | 0 | 113.1 | ||||
| 1128 | I | 24.3 | Very low | 26.3 | Very low | 160 Ų | 160 | 130 Ų | 130 | 82% | 0.821 | 73% | 0.73 | S | S | * | * | trans | 48 | 101.2 | 134.9 | -50.9 | 174.4 | 0 | 0 | 0 | 119.5 | ||||
| 1129 | G | 26.3 | Very low | 26.1 | Very low | 76 Ų | 76 | 130 Ų | 130 | 78% | 0.784 | 73% | 0.734 | S | S | * | * | trans | 70.6 | 160.9 | 135.3 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 1130 | S | 24.3 | Very low | 26 | Very low | 99 Ų | 99 | 131.4 Ų | 131.4 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | cis | -168.9 | 128.1 | -15.1 | -175.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1131 | N | 24.6 | Very low | 25.9 | Very low | 143 Ų | 143 | 135 Ų | 135 | 77% | 0.765 | 75% | 0.752 | S | S | * | * | trans | 59.3 | 151.1 | 157.7 | -65.8 | 0.9 | 0 | 0 | 0 | 119.1 | ||||
| 1132 | N | 26.8 | Very low | 25.9 | Very low | 140 Ų | 140 | 134.6 Ų | 134.6 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | cis | -138.9 | 165 | 11.3 | -83.7 | -56.1 | 0 | 0 | 0 | 111.9 | ||||
| 1133 | N | 24.8 | Very low | 26 | Very low | 135 Ų | 135 | 135.4 Ų | 135.4 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | trans | 9.8 | 148.7 | 140.3 | -70.4 | 42.2 | 0 | 0 | 0 | 121.1 | ||||
| 1134 | D | 25.4 | Very low | 26.3 | Very low | 134 Ų | 134 | 134.6 Ų | 134.6 | 72% | 0.717 | 75% | 0.754 | S | S | * | * | cis | -148.9 | 170.9 | 30.7 | -98.1 | -41.1 | 0 | 0 | 0 | 114.9 | ||||
| 1135 | N | 26.2 | Very low | 26.6 | Very low | 139 Ų | 139 | 132.2 Ų | 132.2 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | trans | 77.3 | 110.7 | 158.2 | -68.5 | -3.6 | 0 | 0 | 0 | 123.1 | ||||
| 1136 | D | 26.6 | Very low | 27.2 | Very low | 126 Ų | 126 | 128.2 Ų | 128.2 | 67% | 0.674 | 72% | 0.719 | S | S | * | * | trans | 67.4 | 99.1 | 130.9 | -74.6 | -48.6 | 0 | 0 | 0 | 123.9 | ||||
| 1137 | N | 25.4 | Very low | 27.7 | Very low | 133 Ų | 133 | 127.7 Ų | 127.7 | 71% | 0.711 | 70% | 0.703 | S | S | * | * | 50 | 103.2 | 114.5 | -70.8 | -55 | 0 | 0 | 0 | 120 | |||||
| 1138 | N | 27.1 | Very low | 28.6 | Very low | 141 Ų | 141 | 125 Ų | 125 | 75% | 0.754 | 68% | 0.684 | S | S | * | * | -168.7 | 136.5 | 106.6 | -106.2 | -70.3 | 0 | 0 | 0 | 115.6 | |||||
| 1139 | N | 27.5 | Very low | 29.6 | Very low | 128 Ų | 128 | 122.2 Ų | 122.2 | 68% | 0.684 | 67% | 0.668 | S | S | * | * | trans | 48.6 | 100 | 151 | -64.4 | -34.4 | 0 | 0 | 0 | 122.2 | ||||
| 1140 | N | 25.4 | Very low | 30.6 | Very low | 136 Ų | 136 | 121.4 Ų | 121.4 | 73% | 0.727 | 65% | 0.647 | S | S | * | * | 35 | 103.4 | 110.7 | -61.6 | -15.1 | 0 | 0 | 0 | 118.8 | |||||
| 1141 | N | 27.3 | Very low | 31.9 | Very low | 148 Ų | 148 | 117.7 Ų | 117.7 | 79% | 0.791 | 62% | 0.62 | S | S | * | * | 175.2 | 164.7 | 103.6 | -87.6 | -29 | 0 | 0 | 0 | 112.3 | |||||
| 1142 | N | 28.8 | Very low | 33.3 | Very low | 138 Ų | 138 | 114.4 Ų | 114.4 | 74% | 0.738 | 60% | 0.602 | S | S | * | * | S | Bend | trans | 99.9 | -7.7 | 170.1 | -57.3 | -10.4 | 0 | 0 | 0 | 119.7 | H1144 | N1142-H1144 PolarHBondContact O-N 3.34Š|
| 1143 | N | 28.4 | Very low | 34.6 | Very low | 175 Ų | 175 | 110.4 Ų | 110.4 | 94% | 0.936 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | 17.6 | 172.4 | -74.2 | 7.4 | 0 | 0 | 0 | 114.4 | ||
| 1144 | H | 30.2 | Very low | 36 | Very low | 123 Ų | 123 | 105.2 Ų | 105.2 | 57% | 0.569 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.3 | -10.3 | -171.9 | -131.4 | -45.8 | 0 | 0 | 0 | 114.6 | N1142 F1148 | N1142-H1144 PolarHBondContact O-N 3.34Å; H1144-F1148 AromaticContact ND1-CD2 3.6Å; H1144-F1148 AromaticContact ND1-CE2 3.9Å; H1144-F1148 WeakPolarHBondContact O-CB 3.28Å; H1144-F1148 PolarHBondContact O-N 3.37Å |
| 1145 | S | 33.9 | Very low | 37.3 | Very low | 60 Ų | 60 | 102 Ų | 102 | 42% | 0.42 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -70.4 | -48.9 | -168.4 | 65.8 | 0 | 0 | 0 | 0 | 113.4 | Y1147 F1148 E1149 | S1145-Y1147 PolarHBondContact O-N 3.11Å; S1145-F1148 CarbonylContact O-C 3.41Å; S1145-F1148 WeakPolarHBondContact O-CA 3.36Å; S1145-F1148 WeakPolarHBondContact O-CB 3.43Å; S1145-F1148 PolarHBondContact O-N 3.02Å; S1145-E1149 WeakPolarHBondContact O-CG 3.41Å; S1145-E1149 PolarHBondContact O-N 3.49Å |
| 1146 | T | 36.1 | Very low | 38.6 | Very low | 84 Ų | 84 | 101.1 Ų | 101.1 | 52% | 0.515 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.8 | -40.9 | -171.7 | 46.8 | 0 | 0 | 0 | 0 | 113.4 | F1148 E1149 V1150 | T1146-F1148 VanDerWaalsContact C-N 3.29Å; T1146-F1148 PolarHBondContact O-N 2.82Å; T1146-E1149 WeakPolarHBondContact CA-OE2 3.36Å; T1146-E1149 PolarHBondContact O-N 3.39Å; T1146-E1149 VanDerWaalsContact O-N 3.13Å; T1146-V1150 PolarHBondContact O-N 3.2Å |
| 1147 | Y | 38.9 | Very low | 39.8 | Very low | 103 Ų | 103 | 96.7 Ų | 96.7 | 40% | 0.404 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.8 | -33.5 | 172.1 | -166.1 | -97.9 | 0 | 0 | 0 | 111.6 | S1145 I1151 | S1145-Y1147 PolarHBondContact O-N 3.11Å; Y1147-I1151 HydrophobicContact CD1-CD1 3.74Å; Y1147-I1151 HydrophobicContact CE1-CD1 3.33Å; Y1147-I1151 HydrophobicContact CE1-CG1 4.36Å; Y1147-I1151 WeakPolarHBondContact O-CB 3.4Å; Y1147-I1151 WeakPolarHBondContact O-CG1 3.43Å; Y1147-I1151 PolarHBondContact O-N 3.27Å; Y1147-I1151 VanDerWaalsContact O-N 3.1Å |
| 1148 | F | 42.5 | Very low | 41 | Very low | 103 Ų | 103 | 91.3 Ų | 91.3 | 45% | 0.452 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -71.7 | -29 | 169.7 | -106.4 | -80.2 | 0 | 0 | 0 | 113.4 | H1144 S1145 T1146 N1152 | H1144-F1148 AromaticContact ND1-CD2 3.6Å; H1144-F1148 AromaticContact ND1-CE2 3.9Å; H1144-F1148 WeakPolarHBondContact O-CB 3.28Å; H1144-F1148 PolarHBondContact O-N 3.37Å; S1145-F1148 CarbonylContact O-C 3.41Å; S1145-F1148 WeakPolarHBondContact O-CA 3.36Å; S1145-F1148 WeakPolarHBondContact O-CB 3.43Å; S1145-F1148 PolarHBondContact O-N 3.02Å; T1146-F1148 VanDerWaalsContact C-N 3.29Å; T1146-F1148 PolarHBondContact O-N 2.82Å; F1148-N1152 WeakPolarHBondContact O-CA 3.18Å; F1148-N1152 WeakPolarHBondContact O-CB 3.37Å; F1148-N1152 PolarHBondContact O-N 2.9Å; F1148-N1152 PolarHBondContact O-ND2 3.11Å; F1148-N1152 VanDerWaalsContact O-ND2 3.13Å |
| 1149 | E | 45.8 | Very low | 42.2 | Very low | 103 Ų | 103 | 89.3 Ų | 89.3 | 48% | 0.481 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -72.8 | -43.3 | 178 | -76.9 | 169.2 | 129 | 0 | 0 | 110.7 | S1145 T1146 N1152 I1153 | S1145-E1149 WeakPolarHBondContact O-CG 3.41Å; S1145-E1149 PolarHBondContact O-N 3.49Å; T1146-E1149 WeakPolarHBondContact CA-OE2 3.36Å; T1146-E1149 PolarHBondContact O-N 3.39Å; T1146-E1149 VanDerWaalsContact O-N 3.13Å; E1149-N1152 PolarHBondContact O-N 3.33Å; E1149-I1153 WeakPolarHBondContact O-CB 3.31Å; E1149-I1153 WeakPolarHBondContact O-CG1 3.41Å; E1149-I1153 PolarHBondContact O-N 3.44Å |
| 1150 | V | 46 | Very low | 43.3 | Very low | 58 Ų | 58 | 88.7 Ų | 88.7 | 35% | 0.352 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61 | -47.4 | 170.5 | 177.9 | 0 | 0 | 0 | 0 | 110.6 | M1113 T1146 N1152 I1153 I1154 | M1113-V1150 HydrophobicContact CE-CG2 4.08Å; M1113-V1150 HydrophobicContact SD-CG2 4.13Å; T1146-V1150 PolarHBondContact O-N 3.2Å; V1150-N1152 VanDerWaalsContact C-N 3.34Å; V1150-N1152 PolarHBondContact O-N 3.11Å; V1150-I1153 PolarHBondContact O-N 3.39Å; V1150-I1154 HydrophobicContact CG1-CD1 3.97Å; V1150-I1154 WeakPolarHBondContact O-CB 3.3Å; V1150-I1154 WeakPolarHBondContact O-CG1 3.11Å; V1150-I1154 PolarHBondContact O-N 2.98Å |
| 1151 | I | 51.4 | Low | 44.3 | Very low | 21 Ų | 21 | 84 Ų | 84 | 11% | 0.108 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -63.9 | -35.9 | 175.4 | -75.7 | 179.6 | 0 | 0 | 0 | 112.2 | Y1147 K1155 | Y1147-I1151 HydrophobicContact CD1-CD1 3.74Å; Y1147-I1151 HydrophobicContact CE1-CD1 3.33Å; Y1147-I1151 HydrophobicContact CE1-CG1 4.36Å; Y1147-I1151 WeakPolarHBondContact O-CB 3.4Å; Y1147-I1151 WeakPolarHBondContact O-CG1 3.43Å; Y1147-I1151 PolarHBondContact O-N 3.27Å; Y1147-I1151 VanDerWaalsContact O-N 3.1Å; I1151-K1155 HydrophobicContact CG2-CD 4Å; I1151-K1155 HydrophobicContact CG2-CG 4.34Å; I1151-K1155 VanDerWaalsContact O-CB 3.24Å; I1151-K1155 WeakPolarHBondContact O-CB 3.41Å; I1151-K1155 VanDerWaalsContact O-CG 3.25Å; I1151-K1155 WeakPolarHBondContact O-CG 3.41Å; I1151-K1155 PolarHBondContact O-N 3.37Å |
| 1152 | N | 54.8 | Low | 45.3 | Very low | 74 Ų | 74 | 80.6 Ų | 80.6 | 40% | 0.396 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -73.6 | -32.2 | 178.5 | -78.2 | -24.1 | 0 | 0 | 0 | 112.1 | F1148 E1149 V1150 K1155 Q1156 | F1148-N1152 WeakPolarHBondContact O-CA 3.18Å; F1148-N1152 WeakPolarHBondContact O-CB 3.37Å; F1148-N1152 PolarHBondContact O-N 2.9Å; F1148-N1152 PolarHBondContact O-ND2 3.11Å; F1148-N1152 VanDerWaalsContact O-ND2 3.13Å; E1149-N1152 PolarHBondContact O-N 3.33Å; V1150-N1152 VanDerWaalsContact C-N 3.34Å; V1150-N1152 PolarHBondContact O-N 3.11Å; N1152-K1155 CarbonylContact O-C 3.46Å; N1152-Q1156 WeakPolarHBondContact O-CB 3.5Å; N1152-Q1156 WeakPolarHBondContact O-CG 3.44Å; N1152-Q1156 PolarHBondContact O-N 3.39Å |
| 1153 | I | 54.4 | Low | 46.1 | Very low | 56 Ų | 56 | 75.1 Ų | 75.1 | 29% | 0.287 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -73.3 | -42.3 | 174.5 | -73.9 | 165.9 | 0 | 0 | 0 | 110.1 | M1113 E1149 V1150 K1155 Q1156 I1157 | M1113-I1153 HydrophobicContact CE-CB 4.24Å; M1113-I1153 HydrophobicContact CE-CD1 3.36Å; M1113-I1153 HydrophobicContact CE-CG1 4.37Å; M1113-I1153 HydrophobicContact CE-CG2 4.24Å; E1149-I1153 WeakPolarHBondContact O-CB 3.31Å; E1149-I1153 WeakPolarHBondContact O-CG1 3.41Å; E1149-I1153 PolarHBondContact O-N 3.44Å; V1150-I1153 PolarHBondContact O-N 3.39Å; I1153-K1155 PolarHBondContact O-N 3.42Å; I1153-Q1156 PolarHBondContact O-N 3.14Å; I1153-Q1156 VanDerWaalsContact O-N 3.15Å; I1153-I1157 HydrophobicContact CG2-CD1 4.17Å; I1153-I1157 WeakPolarHBondContact O-CG1 3.49Å; I1153-I1157 PolarHBondContact O-N 3.46Å |
| 1154 | I | 53.1 | Low | 46.8 | Very low | 27 Ų | 27 | 69.8 Ų | 69.8 | 14% | 0.138 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.8 | -46 | 169.4 | -68.4 | 170.7 | 0 | 0 | 0 | 110.3 | V1150 Q1156 I1157 I1158 F1196 F1201 | V1150-I1154 HydrophobicContact CG1-CD1 3.97Å; V1150-I1154 WeakPolarHBondContact O-CB 3.3Å; V1150-I1154 WeakPolarHBondContact O-CG1 3.11Å; V1150-I1154 PolarHBondContact O-N 2.98Å; I1154-Q1156 VanDerWaalsContact C-N 3.33Å; I1154-Q1156 PolarHBondContact O-N 3.48Å; I1154-I1157 PolarHBondContact O-N 3.32Å; I1154-I1158 HydrophobicContact CG2-CD1 3.72Å; I1154-I1158 WeakPolarHBondContact O-CB 3.45Å; I1154-I1158 WeakPolarHBondContact O-CD1 3.22Å; I1154-I1158 VanDerWaalsContact O-CG1 3.23Å; I1154-I1158 WeakPolarHBondContact O-CG1 3.27Å; I1154-I1158 PolarHBondContact O-N 3.09Å; I1154-F1196 HydrophobicContact CD1-CD2 4.41Å; I1154-F1196 HydrophobicContact CD1-CE2 3.72Å; I1154-F1196 HydrophobicContact CD1-CZ 4.46Å; I1154-F1201 HydrophobicContact CG2-CE2 3.67Å; I1154-F1201 HydrophobicContact CG2-CZ 3.68Å |
| 1155 | K | 53.4 | Low | 47.3 | Very low | 67 Ų | 67 | 67.1 Ų | 67.1 | 29% | 0.291 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.6 | -34.4 | 173.7 | -77.2 | -178.1 | 176.8 | -169.1 | 0 | 112.4 | I1151 N1152 I1153 V1159 S1204 | I1151-K1155 HydrophobicContact CG2-CD 4Å; I1151-K1155 HydrophobicContact CG2-CG 4.34Å; I1151-K1155 VanDerWaalsContact O-CB 3.24Å; I1151-K1155 WeakPolarHBondContact O-CB 3.41Å; I1151-K1155 VanDerWaalsContact O-CG 3.25Å; I1151-K1155 WeakPolarHBondContact O-CG 3.41Å; I1151-K1155 PolarHBondContact O-N 3.37Å; N1152-K1155 CarbonylContact O-C 3.46Å; I1153-K1155 PolarHBondContact O-N 3.42Å; K1155-V1159 WeakPolarHBondContact O-CB 3.32Å; K1155-V1159 WeakPolarHBondContact O-CG2 3.29Å; K1155-V1159 PolarHBondContact O-N 3.05Å; K1155-S1204 PolarHBondContact NZ-O 2.73Å; K1155-S1204 VanDerWaalsContact NZ-O 3.07Å |
| 1156 | Q | 53.9 | Low | 47.6 | Very low | 119 Ų | 119 | 68.5 Ų | 68.5 | 56% | 0.556 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -70.4 | -41.4 | 174.7 | -82.8 | -170.8 | 26.2 | 0 | 0 | 112.6 | N1152 I1153 I1154 I1158 V1159 Q1160 | N1152-Q1156 WeakPolarHBondContact O-CB 3.5Å; N1152-Q1156 WeakPolarHBondContact O-CG 3.44Å; N1152-Q1156 PolarHBondContact O-N 3.39Å; I1153-Q1156 PolarHBondContact O-N 3.14Å; I1153-Q1156 VanDerWaalsContact O-N 3.15Å; I1154-Q1156 VanDerWaalsContact C-N 3.33Å; I1154-Q1156 PolarHBondContact O-N 3.48Å; Q1156-I1158 VanDerWaalsContact C-N 3.31Å; Q1156-I1158 PolarHBondContact O-N 2.91Å; Q1156-V1159 PolarHBondContact O-N 3Å; Q1156-Q1160 WeakPolarHBondContact O-CB 3.2Å; Q1156-Q1160 WeakPolarHBondContact O-CG 3.37Å; Q1156-Q1160 PolarHBondContact O-N 3.05Å |
| 1157 | I | 52.1 | Low | 47.8 | Very low | 33 Ų | 33 | 72.9 Ų | 72.9 | 17% | 0.169 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.9 | -46 | 173.8 | -67.9 | 164.4 | 0 | 0 | 0 | 109.4 | V1105 Y1109 I1153 I1154 Q1160 S1161 | V1105-I1157 HydrophobicContact CG1-CG2 4.46Å; Y1109-I1157 HydrophobicContact CD2-CD1 3.79Å; Y1109-I1157 HydrophobicContact CD2-CG1 3.9Å; Y1109-I1157 HydrophobicContact CE2-CG1 4.13Å; Y1109-I1157 HydrophobicContact CG-CD1 4.03Å; Y1109-I1157 HydrophobicContact CG-CG1 4.49Å; I1153-I1157 HydrophobicContact CG2-CD1 4.17Å; I1153-I1157 WeakPolarHBondContact O-CG1 3.49Å; I1153-I1157 PolarHBondContact O-N 3.46Å; I1154-I1157 PolarHBondContact O-N 3.32Å; I1157-Q1160 PolarHBondContact O-N 3.12Å; I1157-S1161 PolarHBondContact O-N 2.9Å; I1157-S1161 PolarHBondContact O-OG 2.92Å |
| 1158 | I | 50.9 | Low | 47.8 | Very low | 21 Ų | 21 | 70 Ų | 70 | 11% | 0.108 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.7 | -47.4 | 175.8 | -67 | 164.6 | 0 | 0 | 0 | 111 | I1154 Q1156 Q1160 S1161 L1162 L1184 F1201 M1205 | I1154-I1158 HydrophobicContact CG2-CD1 3.72Å; I1154-I1158 WeakPolarHBondContact O-CB 3.45Å; I1154-I1158 WeakPolarHBondContact O-CD1 3.22Å; I1154-I1158 VanDerWaalsContact O-CG1 3.23Å; I1154-I1158 WeakPolarHBondContact O-CG1 3.27Å; I1154-I1158 PolarHBondContact O-N 3.09Å; Q1156-I1158 VanDerWaalsContact C-N 3.31Å; Q1156-I1158 PolarHBondContact O-N 2.91Å; I1158-Q1160 VanDerWaalsContact C-N 3.32Å; I1158-Q1160 PolarHBondContact O-N 3.4Å; I1158-S1161 WeakPolarHBondContact CA-OG 3.49Å; I1158-S1161 CarbonylContact O-C 3.55Å; I1158-S1161 PolarHBondContact O-N 3.26Å; I1158-S1161 VanDerWaalsContact O-N 3.14Å; I1158-S1161 PolarHBondContact O-OG 3.07Å; I1158-L1162 HydrophobicContact CG2-CD1 4.01Å; I1158-L1162 PolarHBondContact O-N 2.82Å; I1158-L1184 HydrophobicContact CD1-CD1 3.59Å; I1158-L1184 HydrophobicContact CG1-CD1 3.99Å; I1158-F1201 HydrophobicContact CD1-CE1 4.25Å; I1158-F1201 HydrophobicContact CD1-CZ 3.65Å; I1158-M1205 HydrophobicContact CD1-CE 4.27Å; I1158-M1205 HydrophobicContact CG2-CE 4.09Å |
| 1159 | V | 52.1 | Low | 47.4 | Very low | 98 Ų | 98 | 70.2 Ų | 70.2 | 59% | 0.594 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -66.4 | -28.8 | 178.5 | 165.8 | 0 | 0 | 0 | 0 | 112.7 | K1155 Q1156 L1162 G1163 | K1155-V1159 WeakPolarHBondContact O-CB 3.32Å; K1155-V1159 WeakPolarHBondContact O-CG2 3.29Å; K1155-V1159 PolarHBondContact O-N 3.05Å; Q1156-V1159 PolarHBondContact O-N 3Å; V1159-L1162 CarbonylContact O-C 3.57Å; V1159-G1163 WeakPolarHBondContact O-CA 3.45Å; V1159-G1163 PolarHBondContact O-N 2.98Å |
| 1160 | Q | 49.3 | Very low | 47.1 | Very low | 115 Ų | 115 | 71.4 Ų | 71.4 | 54% | 0.537 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -72 | -39.6 | 170.6 | -74.6 | -171.6 | 28.1 | 0 | 0 | 111.6 | Q1156 I1157 I1158 G1163 V1164 | Q1156-Q1160 WeakPolarHBondContact O-CB 3.2Å; Q1156-Q1160 WeakPolarHBondContact O-CG 3.37Å; Q1156-Q1160 PolarHBondContact O-N 3.05Å; I1157-Q1160 PolarHBondContact O-N 3.12Å; I1158-Q1160 VanDerWaalsContact C-N 3.32Å; I1158-Q1160 PolarHBondContact O-N 3.4Å; Q1160-G1163 WeakPolarHBondContact O-CA 3.48Å; Q1160-G1163 PolarHBondContact O-N 3.43Å; Q1160-G1163 VanDerWaalsContact O-N 3.13Å; Q1160-V1164 PolarHBondContact O-N 2.86Å |
| 1161 | S | 48 | Very low | 46.7 | Very low | 38 Ų | 38 | 77.4 Ų | 77.4 | 27% | 0.266 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67 | -37.4 | 171.9 | 64.9 | 0 | 0 | 0 | 0 | 112.7 | I1157 I1158 G1163 V1164 Y1165 | I1157-S1161 PolarHBondContact O-N 2.9Å; I1157-S1161 PolarHBondContact O-OG 2.92Å; I1158-S1161 WeakPolarHBondContact CA-OG 3.49Å; I1158-S1161 CarbonylContact O-C 3.55Å; I1158-S1161 PolarHBondContact O-N 3.26Å; I1158-S1161 VanDerWaalsContact O-N 3.14Å; I1158-S1161 PolarHBondContact O-OG 3.07Å; S1161-G1163 VanDerWaalsContact C-N 3.27Å; S1161-G1163 PolarHBondContact O-N 2.55Å; S1161-V1164 WeakPolarHBondContact O-CB 3.28Å; S1161-V1164 PolarHBondContact O-N 2.69Å; S1161-V1164 VanDerWaalsContact O-N 3.15Å; S1161-Y1165 PolarHBondContact O-N 3.45Å |
| 1162 | L | 47.6 | Very low | 45.9 | Very low | 77 Ų | 77 | 84.8 Ų | 84.8 | 40% | 0.403 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -69.5 | -24.5 | 168.9 | -97.8 | 73.8 | 0 | 0 | 0 | 112.3 | I1158 V1159 V1164 Y1165 N1166 | I1158-L1162 HydrophobicContact CG2-CD1 4.01Å; I1158-L1162 PolarHBondContact O-N 2.82Å; V1159-L1162 CarbonylContact O-C 3.57Å; L1162-V1164 PolarHBondContact O-N 2.93Å; L1162-Y1165 WeakPolarHBondContact O-CB 3.21Å; L1162-Y1165 PolarHBondContact O-N 3.44Å; L1162-N1166 WeakPolarHBondContact O-CB 3.3Å; L1162-N1166 VanDerWaalsContact O-CG 3.3Å; L1162-N1166 PolarHBondContact O-N 2.89Å; L1162-N1166 PolarHBondContact O-OD1 3.44Å |
| 1163 | G | 44.6 | Very low | 45 | Very low | 23 Ų | 23 | 84.2 Ų | 84.2 | 24% | 0.237 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -70.2 | -18 | 171 | 0 | 0 | 0 | 0 | 0 | 113.4 | V1159 Q1160 S1161 R1167 | V1159-G1163 WeakPolarHBondContact O-CA 3.45Å; V1159-G1163 PolarHBondContact O-N 2.98Å; Q1160-G1163 WeakPolarHBondContact O-CA 3.48Å; Q1160-G1163 PolarHBondContact O-N 3.43Å; Q1160-G1163 VanDerWaalsContact O-N 3.13Å; S1161-G1163 VanDerWaalsContact C-N 3.27Å; S1161-G1163 PolarHBondContact O-N 2.55Å; G1163-R1167 WeakPolarHBondContact O-CG 3.41Å; G1163-R1167 PolarHBondContact O-NE 3.26Å |
| 1164 | V | 44.6 | Very low | 44.2 | Very low | 62 Ų | 62 | 90.4 Ų | 90.4 | 38% | 0.376 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -87.1 | -42.3 | 166.1 | 179.8 | 0 | 0 | 0 | 0 | 110.2 | W1094 Q1160 S1161 L1162 N1166 R1167 I1168 | W1094-V1164 HydrophobicContact CH2-CG1 4.48Å; W1094-V1164 HydrophobicContact CZ2-CG1 3.83Å; Q1160-V1164 PolarHBondContact O-N 2.86Å; S1161-V1164 WeakPolarHBondContact O-CB 3.28Å; S1161-V1164 PolarHBondContact O-N 2.69Å; S1161-V1164 VanDerWaalsContact O-N 3.15Å; L1162-V1164 PolarHBondContact O-N 2.93Å; V1164-N1166 PolarHBondContact O-N 3.27Å; V1164-R1167 PolarHBondContact O-N 3.18Å; V1164-I1168 HydrophobicContact CG1-CD1 4.1Å; V1164-I1168 WeakPolarHBondContact O-CG1 3.31Å; V1164-I1168 PolarHBondContact O-N 3.15Å; V1164-I1168 VanDerWaalsContact O-N 3.15Å |
| 1165 | Y | 41 | Very low | 43.6 | Very low | 68 Ų | 68 | 90.2 Ų | 90.2 | 27% | 0.267 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -54.1 | -48.4 | 173.6 | -178.3 | -89.2 | 0 | 0 | 0 | 112.6 | S1161 L1162 R1167 I1168 H1169 V1175 | S1161-Y1165 PolarHBondContact O-N 3.45Å; L1162-Y1165 WeakPolarHBondContact O-CB 3.21Å; L1162-Y1165 PolarHBondContact O-N 3.44Å; Y1165-R1167 VanDerWaalsContact C-N 3.32Å; Y1165-R1167 PolarHBondContact O-N 2.87Å; Y1165-I1168 CarbonylContact O-C 3.55Å; Y1165-I1168 WeakPolarHBondContact O-CA 3.34Å; Y1165-I1168 WeakPolarHBondContact O-CB 3.28Å; Y1165-I1168 PolarHBondContact O-N 3.14Å; Y1165-H1169 PolarHBondContact O-N 2.88Å; Y1165-V1175 HydrophobicContact CE2-CB 3.78Å; Y1165-V1175 HydrophobicContact CE2-CG1 4.07Å; Y1165-V1175 HydrophobicContact CE2-CG2 4.43Å; Y1165-V1175 PolarHBondContact OH-O 2.89Å; Y1165-V1175 VanDerWaalsContact OH-O 3.07Å |
| 1166 | N | 39 | Very low | 43.4 | Very low | 89 Ų | 89 | 91 Ų | 91 | 48% | 0.476 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.6 | -37.1 | 178.6 | -70.6 | 0.1 | 0 | 0 | 0 | 111.7 | L1162 V1164 I1168 H1169 D1170 | L1162-N1166 WeakPolarHBondContact O-CB 3.3Å; L1162-N1166 VanDerWaalsContact O-CG 3.3Å; L1162-N1166 PolarHBondContact O-N 2.89Å; L1162-N1166 PolarHBondContact O-OD1 3.44Å; V1164-N1166 PolarHBondContact O-N 3.27Å; N1166-I1168 PolarHBondContact O-N 3.38Å; N1166-H1169 CarbonylContact O-C 3.57Å; N1166-H1169 WeakPolarHBondContact O-CB 3.2Å; N1166-H1169 PolarHBondContact O-N 2.99Å; N1166-H1169 VanDerWaalsContact O-N 3.14Å; N1166-D1170 VanDerWaalsContact O-CG 3.3Å; N1166-D1170 PolarHBondContact O-N 3.21Å |
| 1167 | R | 40.2 | Very low | 43.1 | Very low | 176 Ų | 176 | 88.1 Ų | 88.1 | 66% | 0.664 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -70.5 | -9.1 | 172.8 | -66.9 | -178.8 | -147.7 | -176.2 | 3.7 | 114.2 | G1163 V1164 Y1165 D1170 Y1171 | G1163-R1167 WeakPolarHBondContact O-CG 3.41Å; G1163-R1167 PolarHBondContact O-NE 3.26Å; V1164-R1167 PolarHBondContact O-N 3.18Å; Y1165-R1167 VanDerWaalsContact C-N 3.32Å; Y1165-R1167 PolarHBondContact O-N 2.87Å; R1167-D1170 WeakPolarHBondContact CA-OD2 3.47Å; R1167-Y1171 WeakPolarHBondContact O-CD2 3.47Å; R1167-Y1171 VanDerWaalsContact O-CE2 3.31Å; R1167-Y1171 WeakPolarHBondContact O-CE2 3.34Å |
| 1168 | I | 38.8 | Very low | 43 | Very low | 42 Ų | 42 | 91.2 Ų | 91.2 | 22% | 0.215 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -95.7 | -34.5 | 169.8 | -65.9 | 164.6 | 0 | 0 | 0 | 109.5 | V1164 Y1165 N1166 D1170 Y1171 L1173 | V1164-I1168 HydrophobicContact CG1-CD1 4.1Å; V1164-I1168 WeakPolarHBondContact O-CG1 3.31Å; V1164-I1168 PolarHBondContact O-N 3.15Å; V1164-I1168 VanDerWaalsContact O-N 3.15Å; Y1165-I1168 CarbonylContact O-C 3.55Å; Y1165-I1168 WeakPolarHBondContact O-CA 3.34Å; Y1165-I1168 WeakPolarHBondContact O-CB 3.28Å; Y1165-I1168 PolarHBondContact O-N 3.14Å; N1166-I1168 PolarHBondContact O-N 3.38Å; I1168-D1170 VanDerWaalsContact C-N 3.26Å; I1168-D1170 PolarHBondContact O-N 2.95Å; I1168-Y1171 WeakPolarHBondContact O-CB 3.41Å; I1168-Y1171 PolarHBondContact O-N 3.06Å; I1168-L1173 HydrophobicContact CG2-CB 4.34Å |
| 1169 | H | 34.2 | Very low | 43.1 | Very low | 108 Ų | 108 | 92.5 Ų | 92.5 | 50% | 0.5 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.8 | -29.6 | 170.3 | -165.6 | -53 | 0 | 0 | 0 | 112.4 | Y1165 N1166 Y1171 E1172 | Y1165-H1169 PolarHBondContact O-N 2.88Å; N1166-H1169 CarbonylContact O-C 3.57Å; N1166-H1169 WeakPolarHBondContact O-CB 3.2Å; N1166-H1169 PolarHBondContact O-N 2.99Å; N1166-H1169 VanDerWaalsContact O-N 3.14Å; H1169-Y1171 PolarHBondContact O-N 3.19Å; H1169-E1172 PolarHBondContact O-N 3.25Å; H1169-E1172 VanDerWaalsContact O-N 3.11Å |
| 1170 | D | 39.3 | Very low | 43.2 | Very low | 128 Ų | 128 | 89.7 Ų | 89.7 | 68% | 0.684 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -8 | 168.4 | -69 | -32.3 | 0 | 0 | 0 | 113.4 | N1166 R1167 I1168 | N1166-D1170 VanDerWaalsContact O-CG 3.3Å; N1166-D1170 PolarHBondContact O-N 3.21Å; R1167-D1170 WeakPolarHBondContact CA-OD2 3.47Å; I1168-D1170 VanDerWaalsContact C-N 3.26Å; I1168-D1170 PolarHBondContact O-N 2.95Å |
| 1171 | Y | 39.1 | Very low | 43.8 | Very low | 183 Ų | 183 | 84.3 Ų | 84.3 | 72% | 0.718 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.6 | 26.6 | 174.5 | -63.1 | -81.1 | 0 | 0 | 0 | 113.7 | R1167 I1168 H1169 L1173 | R1167-Y1171 WeakPolarHBondContact O-CD2 3.47Å; R1167-Y1171 VanDerWaalsContact O-CE2 3.31Å; R1167-Y1171 WeakPolarHBondContact O-CE2 3.34Å; I1168-Y1171 WeakPolarHBondContact O-CB 3.41Å; I1168-Y1171 PolarHBondContact O-N 3.06Å; H1169-Y1171 PolarHBondContact O-N 3.19Å; Y1171-L1173 PolarHBondContact O-N 3.05Å |
| 1172 | E | 33.6 | Very low | 44 | Very low | 176 Ų | 176 | 90.4 Ų | 90.4 | 82% | 0.822 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 40.2 | 173.2 | -58.6 | -169.1 | 155.7 | 0 | 0 | 115.5 | H1169 | H1169-E1172 PolarHBondContact O-N 3.25Å; H1169-E1172 VanDerWaalsContact O-N 3.11Å |
| 1173 | L | 36.7 | Very low | 44.5 | Very low | 63 Ų | 63 | 88.5 Ų | 88.5 | 33% | 0.33 | 43% | 0.431 | S | S | . | . | trans | -114 | 100.3 | 173.7 | -77.1 | 165.6 | 0 | 0 | 0 | 111.4 | A1087 I1168 Y1171 | A1087-L1173 HydrophobicContact CB-CD1 4.26Å; I1168-L1173 HydrophobicContact CG2-CB 4.34Å; Y1171-L1173 PolarHBondContact O-N 3.05Å | ||
| 1174 | E | 36.9 | Very low | 45.2 | Very low | 185 Ų | 185 | 88.6 Ų | 88.6 | 86% | 0.864 | 43% | 0.426 | S | S | * | . | trans | -67.9 | 138.5 | 172.8 | -65.7 | -173 | 145.4 | 0 | 0 | 111.8 | ||||
| 1175 | V | 40.8 | Very low | 46 | Very low | 23 Ų | 23 | 85.8 Ų | 85.8 | 14% | 0.139 | 41% | 0.409 | C | S | . | . | trans | -133.6 | 130.3 | 178.8 | 178 | 0 | 0 | 0 | 0 | 109.3 | Y1091 Y1165 V1179 | Y1091-V1175 HydrophobicContact CE2-CG2 3.9Å; Y1091-V1175 WeakPolarHBondContact OH-CG1 3.03Å; Y1091-V1175 WeakPolarHBondContact OH-CG2 3.43Å; Y1165-V1175 HydrophobicContact CE2-CB 3.78Å; Y1165-V1175 HydrophobicContact CE2-CG1 4.07Å; Y1165-V1175 HydrophobicContact CE2-CG2 4.43Å; Y1165-V1175 PolarHBondContact OH-O 2.89Å; Y1165-V1175 VanDerWaalsContact OH-O 3.07Å; V1175-V1179 HydrophobicContact CG1-CB 4.44Å | ||
| 1176 | P | 49.9 | Very low | 46.8 | Very low | 85 Ų | 85 | 85.7 Ų | 85.7 | 55% | 0.552 | 42% | 0.415 | S | S | * | . | trans | -74 | 138.6 | -177 | -19.5 | 32.8 | 0 | 0 | 0 | 114.3 | Q1178 V1179 | P1176-Q1178 PolarHBondContact O-N 2.9Å; P1176-V1179 WeakPolarHBondContact O-CB 3.48Å; P1176-V1179 PolarHBondContact O-N 3.26Å | ||
| 1177 | D | 46.9 | Very low | 47.5 | Very low | 58 Ų | 58 | 82.7 Ų | 82.7 | 31% | 0.31 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -47.6 | -34.6 | 177.2 | -66 | -31.9 | 0 | 0 | 0 | 114.2 | V1179 A1180 L1181 S1208 | D1177-V1179 PolarHBondContact O-N 3.21Å; D1177-V1179 VanDerWaalsContact O-N 3.13Å; D1177-A1180 PolarHBondContact O-N 3.49Å; D1177-L1181 PolarHBondContact O-N 3.3Å; D1177-S1208 WeakPolarHBondContact OD2-CB 3.48Å; D1177-S1208 PolarHBondContact OD2-OG 2.82Å |
| 1178 | Q | 50 | Low | 48.4 | Very low | 98 Ų | 98 | 75.5 Ų | 75.5 | 46% | 0.458 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -53.6 | -34.1 | 177.8 | -58.2 | -168.4 | -3.5 | 0 | 0 | 113 | P1176 R1182 I1214 | P1176-Q1178 PolarHBondContact O-N 2.9Å; Q1178-R1182 WeakPolarHBondContact O-CG 3.44Å; Q1178-R1182 PolarHBondContact O-N 3.5Å; Q1178-I1214 HydrophobicContact CG-CD1 4.25Å; Q1178-I1214 HydrophobicContact CG-CG2 4.11Å |
| 1179 | V | 53.5 | Low | 49.2 | Very low | 47 Ų | 47 | 76.9 Ų | 76.9 | 29% | 0.285 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -74.4 | -46 | -175.1 | -175.6 | 0 | 0 | 0 | 0 | 110 | F1095 V1175 P1176 D1177 L1181 R1182 I1183 | F1095-V1179 HydrophobicContact CE1-CG1 3.3Å; F1095-V1179 HydrophobicContact CZ-CG1 3.43Å; F1095-V1179 VanDerWaalsContact CZ-CG1 3.43Å; V1175-V1179 HydrophobicContact CG1-CB 4.44Å; P1176-V1179 WeakPolarHBondContact O-CB 3.48Å; P1176-V1179 PolarHBondContact O-N 3.26Å; D1177-V1179 PolarHBondContact O-N 3.21Å; D1177-V1179 VanDerWaalsContact O-N 3.13Å; V1179-L1181 VanDerWaalsContact C-N 3.29Å; V1179-L1181 PolarHBondContact O-N 2.96Å; V1179-R1182 PolarHBondContact O-N 2.89Å; V1179-I1183 HydrophobicContact CG1-CD1 4.26Å; V1179-I1183 WeakPolarHBondContact O-CD1 3.3Å; V1179-I1183 WeakPolarHBondContact O-CG1 3.44Å; V1179-I1183 PolarHBondContact O-N 3.03Å; V1179-I1183 VanDerWaalsContact O-N 3.09Å |
| 1180 | A | 54.4 | Low | 50.3 | Low | 40 Ų | 40 | 76.8 Ų | 76.8 | 33% | 0.331 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.4 | -41.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | D1177 I1183 L1184 | D1177-A1180 PolarHBondContact O-N 3.49Å; A1180-I1183 PolarHBondContact O-N 3.38Å; A1180-L1184 WeakPolarHBondContact O-CB 3.29Å; A1180-L1184 PolarHBondContact O-N 2.77Å |
| 1181 | L | 60.4 | Low | 50.9 | Low | 1 Ų | 1 | 72.5 Ų | 72.5 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -69.3 | -36.2 | -178.9 | -149.9 | 152.2 | 0 | 0 | 0 | 112.6 | D1177 V1179 L1184 L1185 W1207 A1215 I1218 | D1177-L1181 PolarHBondContact O-N 3.3Å; V1179-L1181 VanDerWaalsContact C-N 3.29Å; V1179-L1181 PolarHBondContact O-N 2.96Å; L1181-L1184 PolarHBondContact O-N 2.89Å; L1181-L1185 HydrophobicContact CD2-CD1 3.7Å; L1181-L1185 HydrophobicContact CD2-CG 4.38Å; L1181-L1185 PolarHBondContact O-N 3.05Å; L1181-L1185 VanDerWaalsContact O-N 3.14Å; L1181-W1207 HydrophobicContact CB-CH2 4.37Å; L1181-W1207 HydrophobicContact CB-CZ3 4.45Å; L1181-W1207 HydrophobicContact CD1-CD2 4.07Å; L1181-W1207 HydrophobicContact CD1-CE3 3.97Å; L1181-W1207 HydrophobicContact CD1-CH2 3.78Å; L1181-W1207 HydrophobicContact CD1-CZ2 3.87Å; L1181-W1207 HydrophobicContact CD1-CZ3 3.83Å; L1181-W1207 HydrophobicContact CG-CH2 3.94Å; L1181-W1207 HydrophobicContact CG-CZ2 4.21Å; L1181-W1207 HydrophobicContact CG-CZ3 4.3Å; L1181-A1215 HydrophobicContact CD1-CB 3.46Å; L1181-A1215 VanDerWaalsContact CD1-CB 3.46Å; L1181-A1215 HydrophobicContact CD2-CB 4.32Å; L1181-I1218 HydrophobicContact CD2-CB 4.48Å; L1181-I1218 HydrophobicContact CD2-CD1 4.33Å |
| 1182 | R | 53.3 | Low | 51.3 | Low | 167 Ų | 167 | 71.4 Ų | 71.4 | 63% | 0.63 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -64.8 | -43.3 | 170.2 | -78.3 | -172 | 175.8 | -139 | 0.3 | 112.7 | Q1178 V1179 L1184 L1185 V1186 I1218 | Q1178-R1182 WeakPolarHBondContact O-CG 3.44Å; Q1178-R1182 PolarHBondContact O-N 3.5Å; V1179-R1182 PolarHBondContact O-N 2.89Å; R1182-L1184 VanDerWaalsContact C-N 3.31Å; R1182-L1184 PolarHBondContact O-N 3.35Å; R1182-L1185 PolarHBondContact O-N 2.74Å; R1182-V1186 WeakPolarHBondContact O-CG2 3.22Å; R1182-V1186 PolarHBondContact O-N 2.9Å; R1182-V1186 VanDerWaalsContact O-N 3.11Å; R1182-I1218 HydrophobicContact CG-CD1 4.06Å; R1182-I1218 HydrophobicContact CG-CG2 4.38Å |
| 1183 | I | 56.5 | Low | 52.2 | Low | 37 Ų | 37 | 65.5 Ų | 65.5 | 19% | 0.19 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.8 | -46.5 | 176.1 | -67.6 | 156.6 | 0 | 0 | 0 | 110.1 | F1095 L1098 L1102 V1179 A1180 L1185 V1186 L1187 | F1095-I1183 HydrophobicContact CE1-CD1 3.72Å; F1095-I1183 HydrophobicContact CE1-CG1 4.49Å; F1095-I1183 HydrophobicContact CZ-CD1 3.98Å; L1098-I1183 HydrophobicContact CD2-CD1 3.62Å; L1098-I1183 HydrophobicContact CD2-CG1 4.33Å; L1098-I1183 HydrophobicContact CD2-CG2 4.31Å; L1102-I1183 HydrophobicContact CD1-CG2 4.09Å; V1179-I1183 HydrophobicContact CG1-CD1 4.26Å; V1179-I1183 WeakPolarHBondContact O-CD1 3.3Å; V1179-I1183 WeakPolarHBondContact O-CG1 3.44Å; V1179-I1183 PolarHBondContact O-N 3.03Å; V1179-I1183 VanDerWaalsContact O-N 3.09Å; A1180-I1183 PolarHBondContact O-N 3.38Å; I1183-L1185 PolarHBondContact O-N 3.01Å; I1183-V1186 PolarHBondContact O-N 3.44Å; I1183-L1187 HydrophobicContact CG2-CD1 3.68Å; I1183-L1187 WeakPolarHBondContact O-CD1 3.47Å; I1183-L1187 VanDerWaalsContact O-CG 3.3Å; I1183-L1187 WeakPolarHBondContact O-CG 3.34Å; I1183-L1187 PolarHBondContact O-N 3.3Å; I1183-L1187 VanDerWaalsContact O-N 3.11Å |
| 1184 | L | 60.4 | Low | 52.4 | Low | 24 Ų | 24 | 71.5 Ų | 71.5 | 13% | 0.126 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.7 | -45.6 | 179.9 | -169.1 | 108.4 | 0 | 0 | 0 | 112.3 | I1158 A1180 L1181 R1182 L1187 L1188 F1201 | I1158-L1184 HydrophobicContact CD1-CD1 3.59Å; I1158-L1184 HydrophobicContact CG1-CD1 3.99Å; A1180-L1184 WeakPolarHBondContact O-CB 3.29Å; A1180-L1184 PolarHBondContact O-N 2.77Å; L1181-L1184 PolarHBondContact O-N 2.89Å; R1182-L1184 VanDerWaalsContact C-N 3.31Å; R1182-L1184 PolarHBondContact O-N 3.35Å; L1184-L1187 PolarHBondContact O-N 3.19Å; L1184-L1188 HydrophobicContact CD2-CD1 3.8Å; L1184-L1188 HydrophobicContact CG-CD1 3.96Å; L1184-L1188 WeakPolarHBondContact O-CG 3.49Å; L1184-L1188 PolarHBondContact O-N 2.99Å; L1184-F1201 HydrophobicContact CD1-CE1 4.48Å; L1184-F1201 HydrophobicContact CD2-CD1 4.49Å; L1184-F1201 HydrophobicContact CD2-CE1 4.04Å |
| 1185 | L | 61.2 | Low | 53 | Low | 4 Ų | 4 | 66.6 Ų | 66.6 | 2% | 0.021 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.4 | -41.1 | 179.7 | -76.2 | 167.9 | 0 | 0 | 0 | 113 | L1181 R1182 I1183 L1187 L1188 Y1189 L1198 I1202 I1218 F1222 | L1181-L1185 HydrophobicContact CD2-CD1 3.7Å; L1181-L1185 HydrophobicContact CD2-CG 4.38Å; L1181-L1185 PolarHBondContact O-N 3.05Å; L1181-L1185 VanDerWaalsContact O-N 3.14Å; R1182-L1185 PolarHBondContact O-N 2.74Å; I1183-L1185 PolarHBondContact O-N 3.01Å; L1185-L1187 VanDerWaalsContact C-N 3.25Å; L1185-L1187 PolarHBondContact O-N 3.13Å; L1185-L1188 PolarHBondContact O-N 3.13Å; L1185-Y1189 PolarHBondContact O-N 3.29Å; L1185-L1198 HydrophobicContact CD2-CD1 3.89Å; L1185-L1198 HydrophobicContact CD2-CD2 3.73Å; L1185-L1198 HydrophobicContact CD2-CG 4.26Å; L1185-I1202 HydrophobicContact CD2-CD1 4.4Å; L1185-I1218 HydrophobicContact CD1-CB 3.9Å; L1185-I1218 HydrophobicContact CD1-CG2 3.41Å; L1185-I1218 VanDerWaalsContact CD1-CG2 3.41Å; L1185-F1222 HydrophobicContact CD2-CD1 3.92Å; L1185-F1222 HydrophobicContact CD2-CE1 4.34Å; L1185-F1222 HydrophobicContact CD2-CG 4.34Å |
| 1186 | V | 57.8 | Low | 53.7 | Low | 65 Ų | 65 | 67.5 Ų | 67.5 | 39% | 0.394 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.1 | -36.1 | 174.9 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | R1182 I1183 Y1189 Q1190 | R1182-V1186 WeakPolarHBondContact O-CG2 3.22Å; R1182-V1186 PolarHBondContact O-N 2.9Å; R1182-V1186 VanDerWaalsContact O-N 3.11Å; I1183-V1186 PolarHBondContact O-N 3.44Å; V1186-Y1189 WeakPolarHBondContact O-CB 3.43Å; V1186-Y1189 PolarHBondContact O-N 3.3Å; V1186-Q1190 HydrophobicContact CG1-CG 4.49Å; V1186-Q1190 WeakPolarHBondContact O-CG 3.4Å; V1186-Q1190 PolarHBondContact O-N 3.22Å; V1186-Q1190 VanDerWaalsContact O-N 3.11Å |
| 1187 | L | 53.8 | Low | 54.3 | Low | 26 Ų | 26 | 66.7 Ų | 66.7 | 14% | 0.136 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -75.2 | -32.6 | 178 | -68.8 | 165.6 | 0 | 0 | 0 | 113.2 | L1102 I1183 L1184 L1185 Y1189 N1191 | L1102-L1187 HydrophobicContact CB-CD1 3.61Å; L1102-L1187 HydrophobicContact CB-CD2 3.58Å; L1102-L1187 HydrophobicContact CB-CG 4.26Å; L1102-L1187 HydrophobicContact CD1-CD1 3.49Å; L1102-L1187 VanDerWaalsContact CD1-CD1 3.49Å; L1102-L1187 HydrophobicContact CG-CD1 4.15Å; I1183-L1187 HydrophobicContact CG2-CD1 3.68Å; I1183-L1187 WeakPolarHBondContact O-CD1 3.47Å; I1183-L1187 VanDerWaalsContact O-CG 3.3Å; I1183-L1187 WeakPolarHBondContact O-CG 3.34Å; I1183-L1187 PolarHBondContact O-N 3.3Å; I1183-L1187 VanDerWaalsContact O-N 3.11Å; L1184-L1187 PolarHBondContact O-N 3.19Å; L1185-L1187 VanDerWaalsContact C-N 3.25Å; L1185-L1187 PolarHBondContact O-N 3.13Å; L1187-Y1189 VanDerWaalsContact C-N 3.31Å; L1187-N1191 PolarHBondContact O-ND2 3.29Å |
| 1188 | L | 58.7 | Low | 55 | Low | 26 Ų | 26 | 64.9 Ų | 64.9 | 14% | 0.136 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -73.3 | -27.8 | 173.8 | -67.7 | 163.7 | 0 | 0 | 0 | 111.2 | L1184 L1185 I1193 F1196 L1198 | L1184-L1188 HydrophobicContact CD2-CD1 3.8Å; L1184-L1188 HydrophobicContact CG-CD1 3.96Å; L1184-L1188 WeakPolarHBondContact O-CG 3.49Å; L1184-L1188 PolarHBondContact O-N 2.99Å; L1185-L1188 PolarHBondContact O-N 3.13Å; L1188-I1193 HydrophobicContact CD2-CD1 3.7Å; L1188-F1196 HydrophobicContact CD1-CE1 4.04Å; L1188-F1196 HydrophobicContact CD2-CD1 4.35Å; L1188-F1196 HydrophobicContact CD2-CE1 3.84Å; L1188-F1196 HydrophobicContact CD2-CZ 4.07Å; L1188-L1198 HydrophobicContact CD1-CD1 3.57Å |
| 1189 | Y | 56.4 | Low | 55.5 | Low | 70 Ų | 70 | 63.1 Ų | 63.1 | 28% | 0.275 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.2 | -54.4 | 172.4 | -167.6 | -134.5 | 0 | 0 | 0 | 113.8 | L1185 V1186 L1187 N1191 R1192 F1222 L1226 H1229 | L1185-Y1189 PolarHBondContact O-N 3.29Å; V1186-Y1189 WeakPolarHBondContact O-CB 3.43Å; V1186-Y1189 PolarHBondContact O-N 3.3Å; L1187-Y1189 VanDerWaalsContact C-N 3.31Å; Y1189-N1191 PolarHBondContact O-N 2.95Å; Y1189-R1192 PolarHBondContact O-N 2.82Å; Y1189-F1222 VanDerWaalsContact CB-CE2 3.43Å; Y1189-F1222 HydrophobicContact CD1-CE2 4.31Å; Y1189-F1222 AromaticContact CD2-CE2 3.42Å; Y1189-F1222 HydrophobicContact CD2-CE2 3.42Å; Y1189-F1222 VanDerWaalsContact CD2-CE2 3.42Å; Y1189-F1222 AromaticContact CD2-CZ 3.5Å; Y1189-F1222 HydrophobicContact CD2-CZ 3.5Å; Y1189-F1222 HydrophobicContact CE2-CE2 4.21Å; Y1189-F1222 HydrophobicContact CE2-CZ 4.48Å; Y1189-F1222 AromaticContact CG-CE2 3.47Å; Y1189-F1222 HydrophobicContact CG-CE2 3.47Å; Y1189-F1222 VanDerWaalsContact CG-CE2 3.47Å; Y1189-F1222 AromaticContact CG-CZ 3.8Å; Y1189-F1222 HydrophobicContact CG-CZ 3.8Å; Y1189-L1226 HydrophobicContact CD2-CD1 4.05Å; Y1189-L1226 HydrophobicContact CE2-CB 4.32Å; Y1189-L1226 HydrophobicContact CE2-CD1 4.03Å; Y1189-L1226 HydrophobicContact CE2-CG 4.03Å; Y1189-H1229 WeakPolarHBondContact OH-CB 3.29Å |
| 1190 | Q | 56.3 | Low | 56 | Low | 107 Ų | 107 | 66.9 Ų | 66.9 | 50% | 0.5 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -9 | -170.4 | -74.8 | 178 | -11.6 | 0 | 0 | 114 | V1186 | V1186-Q1190 HydrophobicContact CG1-CG 4.49Å; V1186-Q1190 WeakPolarHBondContact O-CG 3.4Å; V1186-Q1190 PolarHBondContact O-N 3.22Å; V1186-Q1190 VanDerWaalsContact O-N 3.11Å |
| 1191 | N | 52 | Low | 56.4 | Low | 37 Ų | 37 | 65 Ų | 65 | 20% | 0.198 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | 7.9 | -173.2 | -64.8 | -60 | 0 | 0 | 0 | 114.4 | Y1106 L1187 Y1189 I1193 | Y1106-N1191 HydrophobicContact CD1-CB 3.73Å; Y1106-N1191 WeakPolarHBondContact CD1-OD1 3.34Å; Y1106-N1191 HydrophobicContact CE1-CB 3.38Å; Y1106-N1191 VanDerWaalsContact CE1-CG 3.46Å; Y1106-N1191 HydrophobicContact CE2-CB 4.38Å; Y1106-N1191 HydrophobicContact CG-CB 4.4Å; L1187-N1191 PolarHBondContact O-ND2 3.29Å; Y1189-N1191 PolarHBondContact O-N 2.95Å; N1191-I1193 PolarHBondContact O-N 3.47Å |
| 1192 | R | 48 | Very low | 56.5 | Low | 160 Ų | 160 | 65.1 Ų | 65.1 | 60% | 0.604 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 28.8 | 69 | 176.6 | -69.9 | -162.2 | -175.1 | -164.6 | 5.7 | 114.9 | Y1189 E1194 E1233 | Y1189-R1192 PolarHBondContact O-N 2.82Å; R1192-E1194 PolarHBondContact O-N 3.43Å; R1192-E1194 VanDerWaalsContact O-N 3.1Å; R1192-E1233 IonicContact CZ-OE2 3.12Å; R1192-E1233 IonicContact NH1-OE2 3.18Å; R1192-E1233 IonicContact NH2-OE1 2.66Å; R1192-E1233 PolarHBondContact NH2-OE1 3.1Å; R1192-E1233 IonicContact NH2-OE2 3.75Å; R1192-E1233 PolarHBondContact NH2-OE2 2.89Å |
| 1193 | I | 52.5 | Low | 56.7 | Low | 52 Ų | 52 | 62.2 Ų | 62.2 | 27% | 0.267 | 32% | 0.318 | S | S | . | . | trans | -78.6 | 96.1 | 180 | -40 | -174 | 0 | 0 | 0 | 110.4 | Y1106 L1188 N1191 G1195 F1196 | Y1106-I1193 HydrophobicContact CE2-CD1 3.9Å; Y1106-I1193 VanDerWaalsContact OH-CD1 3.29Å; Y1106-I1193 WeakPolarHBondContact OH-CD1 3.21Å; Y1106-I1193 WeakPolarHBondContact OH-CG1 3.41Å; L1188-I1193 HydrophobicContact CD2-CD1 3.7Å; N1191-I1193 PolarHBondContact O-N 3.47Å; I1193-G1195 PolarHBondContact O-N 2.83Å; I1193-F1196 HydrophobicContact CB-CB 3.79Å; I1193-F1196 HydrophobicContact CB-CG 4.42Å; I1193-F1196 HydrophobicContact CG2-CB 3.76Å; I1193-F1196 HydrophobicContact CG2-CG 4.41Å; I1193-F1196 WeakPolarHBondContact O-CB 3.08Å; I1193-F1196 PolarHBondContact O-N 2.86Å | ||
| 1194 | E | 41.1 | Very low | 56.8 | Low | 190 Ų | 190 | 62.6 Ų | 62.6 | 89% | 0.888 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 135 | 175.9 | -64.5 | -173.2 | 169.5 | 0 | 0 | 111.4 | R1192 F1196 | R1192-E1194 PolarHBondContact O-N 3.43Å; R1192-E1194 VanDerWaalsContact O-N 3.1Å; E1194-F1196 VanDerWaalsContact C-N 3.29Å; E1194-F1196 PolarHBondContact O-N 3.37Å |
| 1195 | G | 48.3 | Very low | 56.4 | Low | 82 Ų | 82 | 63.5 Ų | 63.5 | 85% | 0.845 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | 0.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | I1193 D1197 | I1193-G1195 PolarHBondContact O-N 2.83Å; G1195-D1197 PolarHBondContact O-N 2.78Å |
| 1196 | F | 56.2 | Low | 55.8 | Low | 42 Ų | 42 | 71.8 Ų | 71.8 | 18% | 0.184 | 37% | 0.373 | C | S | . | . | trans | -78 | 105.7 | 179 | -173.7 | -98.6 | 0 | 0 | 0 | 112.5 | I1154 L1188 I1193 E1194 L1198 F1201 | I1154-F1196 HydrophobicContact CD1-CD2 4.41Å; I1154-F1196 HydrophobicContact CD1-CE2 3.72Å; I1154-F1196 HydrophobicContact CD1-CZ 4.46Å; L1188-F1196 HydrophobicContact CD1-CE1 4.04Å; L1188-F1196 HydrophobicContact CD2-CD1 4.35Å; L1188-F1196 HydrophobicContact CD2-CE1 3.84Å; L1188-F1196 HydrophobicContact CD2-CZ 4.07Å; I1193-F1196 HydrophobicContact CB-CB 3.79Å; I1193-F1196 HydrophobicContact CB-CG 4.42Å; I1193-F1196 HydrophobicContact CG2-CB 3.76Å; I1193-F1196 HydrophobicContact CG2-CG 4.41Å; I1193-F1196 WeakPolarHBondContact O-CB 3.08Å; I1193-F1196 PolarHBondContact O-N 2.86Å; E1194-F1196 VanDerWaalsContact C-N 3.29Å; E1194-F1196 PolarHBondContact O-N 3.37Å; F1196-L1198 VanDerWaalsContact C-N 3.29Å; F1196-L1198 HydrophobicContact CD1-CB 4.07Å; F1196-L1198 HydrophobicContact CE1-CB 4.18Å; F1196-L1198 HydrophobicContact CE1-CD1 3.96Å; F1196-L1198 PolarHBondContact O-N 3.45Å; F1196-F1201 HydrophobicContact CE1-CB 3.92Å; F1196-F1201 HydrophobicContact CE1-CD1 4.44Å; F1196-F1201 HydrophobicContact CE1-CG 4.11Å; F1196-F1201 HydrophobicContact CE2-CB 4.38Å; F1196-F1201 HydrophobicContact CE2-CD2 4.11Å; F1196-F1201 HydrophobicContact CE2-CG 4.29Å; F1196-F1201 HydrophobicContact CZ-CB 3.59Å; F1196-F1201 AromaticContact CZ-CD1 3.98Å; F1196-F1201 HydrophobicContact CZ-CD1 3.98Å; F1196-F1201 AromaticContact CZ-CD2 3.65Å; F1196-F1201 HydrophobicContact CZ-CD2 3.65Å; F1196-F1201 HydrophobicContact CZ-CE2 4.35Å; F1196-F1201 AromaticContact CZ-CG 3.44Å; F1196-F1201 HydrophobicContact CZ-CG 3.44Å; F1196-F1201 VanDerWaalsContact CZ-CG 3.44Å | ||
| 1197 | D | 61.9 | Low | 55.7 | Low | 68 Ų | 68 | 71.5 Ų | 71.5 | 36% | 0.364 | 37% | 0.365 | S | S | . | . | trans | -71.7 | 83.8 | 173.3 | -173.4 | -16.5 | 0 | 0 | 0 | 110.9 | G1195 L1199 K1200 F1201 | G1195-D1197 PolarHBondContact O-N 2.78Å; D1197-L1199 PolarHBondContact O-N 3.2Å; D1197-L1199 PolarHBondContact OD1-N 2.75Å; D1197-K1200 HydrophobicContact CB-CB 3.9Å; D1197-K1200 HydrophobicContact CB-CD 4.28Å; D1197-K1200 PolarHBondContact O-N 3.25Å; D1197-K1200 VanDerWaalsContact OD1-CB 3.29Å; D1197-K1200 WeakPolarHBondContact OD1-CB 3.3Å; D1197-K1200 PolarHBondContact OD1-N 2.74Å; D1197-K1200 VanDerWaalsContact OD2-CB 3.23Å; D1197-K1200 WeakPolarHBondContact OD2-CB 3.45Å; D1197-K1200 WeakPolarHBondContact OD2-CD 3.2Å; D1197-F1201 PolarHBondContact O-N 2.64Å | ||
| 1198 | L | 63.1 | Low | 55.4 | Low | 20 Ų | 20 | 72.5 Ų | 72.5 | 11% | 0.105 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -57 | -33.4 | -179.6 | 175.2 | 65.4 | 0 | 0 | 0 | 112.9 | L1185 L1188 F1196 F1201 I1202 Y1219 F1222 | L1185-L1198 HydrophobicContact CD2-CD1 3.89Å; L1185-L1198 HydrophobicContact CD2-CD2 3.73Å; L1185-L1198 HydrophobicContact CD2-CG 4.26Å; L1188-L1198 HydrophobicContact CD1-CD1 3.57Å; F1196-L1198 VanDerWaalsContact C-N 3.29Å; F1196-L1198 HydrophobicContact CD1-CB 4.07Å; F1196-L1198 HydrophobicContact CE1-CB 4.18Å; F1196-L1198 HydrophobicContact CE1-CD1 3.96Å; F1196-L1198 PolarHBondContact O-N 3.45Å; L1198-F1201 PolarHBondContact O-N 2.69Å; L1198-I1202 HydrophobicContact CD1-CD1 4.03Å; L1198-I1202 HydrophobicContact CD1-CG1 4.35Å; L1198-I1202 HydrophobicContact CG-CD1 4.07Å; L1198-I1202 WeakPolarHBondContact O-CB 3.47Å; L1198-I1202 VanDerWaalsContact O-CG1 3.28Å; L1198-I1202 WeakPolarHBondContact O-CG1 3.14Å; L1198-I1202 PolarHBondContact O-N 3.48Å; L1198-Y1219 HydrophobicContact CB-CE2 3.96Å; L1198-Y1219 HydrophobicContact CD2-CD2 3.72Å; L1198-Y1219 HydrophobicContact CD2-CE2 3.69Å; L1198-Y1219 HydrophobicContact CG-CD2 3.78Å; L1198-Y1219 HydrophobicContact CG-CE2 3.68Å; L1198-F1222 HydrophobicContact CD2-CD1 3.79Å; L1198-F1222 HydrophobicContact CD2-CE1 3.72Å |
| 1199 | L | 60.8 | Low | 54.5 | Low | 61 Ų | 61 | 77.2 Ų | 77.2 | 32% | 0.319 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -70.9 | -45.1 | 178.9 | -175 | 62.9 | 0 | 0 | 0 | 110.5 | D1197 F1201 I1202 N1203 Y1219 | D1197-L1199 PolarHBondContact O-N 3.2Å; D1197-L1199 PolarHBondContact OD1-N 2.75Å; L1199-F1201 VanDerWaalsContact C-N 3.3Å; L1199-F1201 PolarHBondContact O-N 3.03Å; L1199-I1202 PolarHBondContact O-N 3.48Å; L1199-N1203 WeakPolarHBondContact O-CB 3.11Å; L1199-N1203 VanDerWaalsContact O-CG 3.27Å; L1199-N1203 PolarHBondContact O-N 3Å; L1199-N1203 PolarHBondContact O-ND2 3.27Å; L1199-Y1219 HydrophobicContact CB-CE2 3.93Å; L1199-Y1219 HydrophobicContact CD1-CD1 4.42Å; L1199-Y1219 HydrophobicContact CD1-CE1 4.32Å; L1199-Y1219 HydrophobicContact CD1-CE2 4.45Å |
| 1200 | K | 62.2 | Low | 53.9 | Low | 125 Ų | 125 | 78.1 Ų | 78.1 | 54% | 0.543 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.2 | -30.2 | 175.2 | -168.6 | 173.5 | -174.7 | 177.5 | 0 | 112.4 | D1197 S1204 | D1197-K1200 HydrophobicContact CB-CB 3.9Å; D1197-K1200 HydrophobicContact CB-CD 4.28Å; D1197-K1200 PolarHBondContact O-N 3.25Å; D1197-K1200 VanDerWaalsContact OD1-CB 3.29Å; D1197-K1200 WeakPolarHBondContact OD1-CB 3.3Å; D1197-K1200 PolarHBondContact OD1-N 2.74Å; D1197-K1200 VanDerWaalsContact OD2-CB 3.23Å; D1197-K1200 WeakPolarHBondContact OD2-CB 3.45Å; D1197-K1200 WeakPolarHBondContact OD2-CD 3.2Å; K1200-S1204 WeakPolarHBondContact O-CB 3.3Å; K1200-S1204 PolarHBondContact O-N 2.99Å |
| 1201 | F | 63.9 | Low | 53.4 | Low | 2 Ų | 2 | 73.2 Ų | 73.2 | 1% | 0.009 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -67.9 | -51.3 | 170.2 | -177.8 | -94.9 | 0 | 0 | 0 | 112.3 | I1154 I1158 L1184 F1196 D1197 L1198 L1199 N1203 S1204 M1205 | I1154-F1201 HydrophobicContact CG2-CE2 3.67Å; I1154-F1201 HydrophobicContact CG2-CZ 3.68Å; I1158-F1201 HydrophobicContact CD1-CE1 4.25Å; I1158-F1201 HydrophobicContact CD1-CZ 3.65Å; L1184-F1201 HydrophobicContact CD1-CE1 4.48Å; L1184-F1201 HydrophobicContact CD2-CD1 4.49Å; L1184-F1201 HydrophobicContact CD2-CE1 4.04Å; F1196-F1201 HydrophobicContact CE1-CB 3.92Å; F1196-F1201 HydrophobicContact CE1-CD1 4.44Å; F1196-F1201 HydrophobicContact CE1-CG 4.11Å; F1196-F1201 HydrophobicContact CE2-CB 4.38Å; F1196-F1201 HydrophobicContact CE2-CD2 4.11Å; F1196-F1201 HydrophobicContact CE2-CG 4.29Å; F1196-F1201 HydrophobicContact CZ-CB 3.59Å; F1196-F1201 AromaticContact CZ-CD1 3.98Å; F1196-F1201 HydrophobicContact CZ-CD1 3.98Å; F1196-F1201 AromaticContact CZ-CD2 3.65Å; F1196-F1201 HydrophobicContact CZ-CD2 3.65Å; F1196-F1201 HydrophobicContact CZ-CE2 4.35Å; F1196-F1201 AromaticContact CZ-CG 3.44Å; F1196-F1201 HydrophobicContact CZ-CG 3.44Å; F1196-F1201 VanDerWaalsContact CZ-CG 3.44Å; D1197-F1201 PolarHBondContact O-N 2.64Å; L1198-F1201 PolarHBondContact O-N 2.69Å; L1199-F1201 VanDerWaalsContact C-N 3.3Å; L1199-F1201 PolarHBondContact O-N 3.03Å; F1201-N1203 VanDerWaalsContact C-N 3.26Å; F1201-N1203 PolarHBondContact O-N 2.86Å; F1201-S1204 WeakPolarHBondContact O-CA 3.49Å; F1201-S1204 WeakPolarHBondContact O-CB 3.24Å; F1201-S1204 PolarHBondContact O-N 3.4Å; F1201-S1204 PolarHBondContact O-OG 2.92Å; F1201-M1205 HydrophobicContact CD1-SD 4.23Å; F1201-M1205 HydrophobicContact CE1-CG 4.5Å; F1201-M1205 HydrophobicContact CE1-SD 3.39Å; F1201-M1205 WeakPolarHBondContact CE1-SD 3.25Å; F1201-M1205 HydrophobicContact CZ-SD 3.64Å |
| 1202 | I | 61.3 | Low | 53.1 | Low | 3 Ų | 3 | 74.2 Ų | 74.2 | 2% | 0.015 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -57.8 | -40.7 | 178.5 | -73.6 | 167.9 | 0 | 0 | 0 | 110.9 | L1185 L1198 L1199 S1204 W1207 A1215 Y1219 | L1185-I1202 HydrophobicContact CD2-CD1 4.4Å; L1198-I1202 HydrophobicContact CD1-CD1 4.03Å; L1198-I1202 HydrophobicContact CD1-CG1 4.35Å; L1198-I1202 HydrophobicContact CG-CD1 4.07Å; L1198-I1202 WeakPolarHBondContact O-CB 3.47Å; L1198-I1202 VanDerWaalsContact O-CG1 3.28Å; L1198-I1202 WeakPolarHBondContact O-CG1 3.14Å; L1198-I1202 PolarHBondContact O-N 3.48Å; L1199-I1202 PolarHBondContact O-N 3.48Å; I1202-S1204 PolarHBondContact O-N 2.82Å; I1202-W1207 PolarHBondContact O-NE1 3.45Å; I1202-A1215 HydrophobicContact CG2-CB 3.82Å; I1202-Y1219 HydrophobicContact CD1-CD2 3.86Å; I1202-Y1219 HydrophobicContact CD1-CG 4.49Å |
| 1203 | N | 58.7 | Low | 53.3 | Low | 106 Ų | 106 | 69 Ų | 69 | 57% | 0.567 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | 2.7 | 175.6 | -66.9 | -35.9 | 0 | 0 | 0 | 114.5 | L1199 F1201 | L1199-N1203 WeakPolarHBondContact O-CB 3.11Å; L1199-N1203 VanDerWaalsContact O-CG 3.27Å; L1199-N1203 PolarHBondContact O-N 3Å; L1199-N1203 PolarHBondContact O-ND2 3.27Å; F1201-N1203 VanDerWaalsContact C-N 3.26Å; F1201-N1203 PolarHBondContact O-N 2.86Å |
| 1204 | S | 58.8 | Low | 53.1 | Low | 45 Ų | 45 | 69 Ų | 69 | 32% | 0.315 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 13.4 | 179.5 | 78.9 | 0 | 0 | 0 | 0 | 114.5 | K1155 K1200 F1201 I1202 | K1155-S1204 PolarHBondContact NZ-O 2.73Å; K1155-S1204 VanDerWaalsContact NZ-O 3.07Å; K1200-S1204 WeakPolarHBondContact O-CB 3.3Å; K1200-S1204 PolarHBondContact O-N 2.99Å; F1201-S1204 WeakPolarHBondContact O-CA 3.49Å; F1201-S1204 WeakPolarHBondContact O-CB 3.24Å; F1201-S1204 PolarHBondContact O-N 3.4Å; F1201-S1204 PolarHBondContact O-OG 2.92Å; I1202-S1204 PolarHBondContact O-N 2.82Å |
| 1205 | M | 51.4 | Low | 53.6 | Low | 43 Ų | 43 | 60 Ų | 60 | 21% | 0.212 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -124.2 | 134.2 | 177.4 | -60.1 | 178.6 | 78.5 | 0 | 0 | 109.2 | I1158 F1201 W1207 | I1158-M1205 HydrophobicContact CD1-CE 4.27Å; I1158-M1205 HydrophobicContact CG2-CE 4.09Å; F1201-M1205 HydrophobicContact CD1-SD 4.23Å; F1201-M1205 HydrophobicContact CE1-CG 4.5Å; F1201-M1205 HydrophobicContact CE1-SD 3.39Å; F1201-M1205 WeakPolarHBondContact CE1-SD 3.25Å; F1201-M1205 HydrophobicContact CZ-SD 3.64Å; M1205-W1207 VanDerWaalsContact C-N 3.28Å; M1205-W1207 HydrophobicContact CB-CZ2 4.27Å; M1205-W1207 HydrophobicContact CE-CH2 4.46Å; M1205-W1207 HydrophobicContact CE-CZ2 4.33Å; M1205-W1207 PolarHBondContact O-N 3.03Å; M1205-W1207 HydrophobicContact SD-CH2 4.47Å; M1205-W1207 HydrophobicContact SD-CZ2 3.81Å |
| 1206 | D | 48.9 | Very low | 54.1 | Low | 178 Ų | 178 | 59.1 Ų | 59.1 | 95% | 0.952 | 34% | 0.343 | S | S | * | . | trans | -77 | 78 | 179.5 | -65.1 | -56.9 | 0 | 0 | 0 | 110.8 | ||||
| 1207 | W | 55.2 | Low | 54.2 | Low | 59 Ų | 59 | 64.1 Ų | 64.1 | 22% | 0.223 | 37% | 0.366 | C | S | . | . | trans | -66.9 | 150.4 | 172 | -60.5 | 104.5 | 0 | 0 | 0 | 111.4 | L1181 I1202 M1205 | L1181-W1207 HydrophobicContact CB-CH2 4.37Å; L1181-W1207 HydrophobicContact CB-CZ3 4.45Å; L1181-W1207 HydrophobicContact CD1-CD2 4.07Å; L1181-W1207 HydrophobicContact CD1-CE3 3.97Å; L1181-W1207 HydrophobicContact CD1-CH2 3.78Å; L1181-W1207 HydrophobicContact CD1-CZ2 3.87Å; L1181-W1207 HydrophobicContact CD1-CZ3 3.83Å; L1181-W1207 HydrophobicContact CG-CH2 3.94Å; L1181-W1207 HydrophobicContact CG-CZ2 4.21Å; L1181-W1207 HydrophobicContact CG-CZ3 4.3Å; I1202-W1207 PolarHBondContact O-NE1 3.45Å; M1205-W1207 VanDerWaalsContact C-N 3.28Å; M1205-W1207 HydrophobicContact CB-CZ2 4.27Å; M1205-W1207 HydrophobicContact CE-CH2 4.46Å; M1205-W1207 HydrophobicContact CE-CZ2 4.33Å; M1205-W1207 PolarHBondContact O-N 3.03Å; M1205-W1207 HydrophobicContact SD-CH2 4.47Å; M1205-W1207 HydrophobicContact SD-CZ2 3.81Å | ||
| 1208 | S | 48.7 | Very low | 53.9 | Low | 47 Ų | 47 | 62.2 Ų | 62.2 | 33% | 0.329 | 36% | 0.356 | S | S | . | . | trans | -57.5 | 149.5 | 171.5 | 67.5 | 0 | 0 | 0 | 0 | 111 | D1177 S1210 S1211 | D1177-S1208 WeakPolarHBondContact OD2-CB 3.48Å; D1177-S1208 PolarHBondContact OD2-OG 2.82Å; S1208-S1210 PolarHBondContact O-N 3.14Å; S1208-S1210 PolarHBondContact OG-OG 2.76Å; S1208-S1211 PolarHBondContact N-OG 3.03Å; S1208-S1211 PolarHBondContact O-N 3.15Å; S1208-S1211 PolarHBondContact O-OG 3.39Å; S1208-S1211 WeakPolarHBondContact OG-CB 3.43Å; S1208-S1211 PolarHBondContact OG-OG 3.36Å | ||
| 1209 | S | 38.3 | Very low | 53.8 | Low | 124 Ų | 124 | 63.4 Ų | 63.4 | 87% | 0.867 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -14.7 | -172.8 | 54.5 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1210 | S | 45.4 | Very low | 54.1 | Low | 89 Ų | 89 | 67.4 Ų | 67.4 | 62% | 0.622 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -22.7 | 172.5 | 54.9 | 0 | 0 | 0 | 0 | 114 | S1208 | S1208-S1210 PolarHBondContact O-N 3.14Å; S1208-S1210 PolarHBondContact OG-OG 2.76Å |
| 1211 | S | 45.9 | Very low | 54 | Low | 4 Ų | 4 | 64.1 Ų | 64.1 | 3% | 0.028 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -18.5 | -169.1 | 56.8 | 0 | 0 | 0 | 0 | 115 | S1208 G1213 I1214 A1215 | S1208-S1211 PolarHBondContact N-OG 3.03Å; S1208-S1211 PolarHBondContact O-N 3.15Å; S1208-S1211 PolarHBondContact O-OG 3.39Å; S1208-S1211 WeakPolarHBondContact OG-CB 3.43Å; S1208-S1211 PolarHBondContact OG-OG 3.36Å; S1211-G1213 PolarHBondContact O-N 3.46Å; S1211-I1214 CarbonylContact O-C 3.57Å; S1211-I1214 PolarHBondContact O-N 3.32Å; S1211-I1214 VanDerWaalsContact O-N 3.11Å; S1211-A1215 PolarHBondContact O-N 2.66Å |
| 1212 | S | 45.6 | Very low | 53.7 | Low | 59 Ų | 59 | 65 Ų | 65 | 41% | 0.413 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63 | -34.9 | 179.3 | 64.8 | 0 | 0 | 0 | 0 | 114.5 | A1215 N1216 | S1212-A1215 WeakPolarHBondContact O-CB 3.35Å; S1212-A1215 PolarHBondContact O-N 2.87Å; S1212-N1216 PolarHBondContact O-N 3.02Å; S1212-N1216 PolarHBondContact O-ND2 3.21Å; S1212-N1216 VanDerWaalsContact O-ND2 3.13Å |
| 1213 | G | 51 | Low | 53.7 | Low | 50 Ų | 50 | 68 Ų | 68 | 52% | 0.515 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -68.2 | -36.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1211 H1217 | S1211-G1213 PolarHBondContact O-N 3.46Å; G1213-H1217 PolarHBondContact O-N 3.13Å |
| 1214 | I | 49.3 | Very low | 54.1 | Low | 53 Ų | 53 | 69.7 Ų | 69.7 | 27% | 0.272 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -73.6 | -37.7 | 176.1 | -65.2 | 153.3 | 0 | 0 | 0 | 110.6 | Q1178 S1211 N1216 H1217 I1218 | Q1178-I1214 HydrophobicContact CG-CD1 4.25Å; Q1178-I1214 HydrophobicContact CG-CG2 4.11Å; S1211-I1214 CarbonylContact O-C 3.57Å; S1211-I1214 PolarHBondContact O-N 3.32Å; S1211-I1214 VanDerWaalsContact O-N 3.11Å; I1214-N1216 VanDerWaalsContact C-N 3.33Å; I1214-N1216 PolarHBondContact O-N 3.09Å; I1214-H1217 PolarHBondContact O-N 3.4Å; I1214-I1218 HydrophobicContact CG2-CD1 3.6Å; I1214-I1218 HydrophobicContact CG2-CG1 4.01Å; I1214-I1218 WeakPolarHBondContact O-CG1 3.47Å; I1214-I1218 PolarHBondContact O-N 2.75Å |
| 1215 | A | 50.3 | Low | 53.9 | Low | 1 Ų | 1 | 73.4 Ų | 73.4 | 1% | 0.008 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -54.1 | -48.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1181 I1202 S1211 S1212 H1217 Y1219 | L1181-A1215 HydrophobicContact CD1-CB 3.46Å; L1181-A1215 VanDerWaalsContact CD1-CB 3.46Å; L1181-A1215 HydrophobicContact CD2-CB 4.32Å; I1202-A1215 HydrophobicContact CG2-CB 3.82Å; S1211-A1215 PolarHBondContact O-N 2.66Å; S1212-A1215 WeakPolarHBondContact O-CB 3.35Å; S1212-A1215 PolarHBondContact O-N 2.87Å; A1215-H1217 VanDerWaalsContact C-N 3.32Å; A1215-H1217 PolarHBondContact O-N 3.2Å; A1215-Y1219 VanDerWaalsContact O-CB 3.27Å; A1215-Y1219 WeakPolarHBondContact O-CB 3.39Å; A1215-Y1219 PolarHBondContact O-N 3.42Å |
| 1216 | N | 58.9 | Low | 54.2 | Low | 62 Ų | 62 | 74.4 Ų | 74.4 | 33% | 0.332 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.1 | -31.6 | 174.7 | -82.3 | -75.2 | 0 | 0 | 0 | 113.3 | S1212 I1214 K1220 | S1212-N1216 PolarHBondContact O-N 3.02Å; S1212-N1216 PolarHBondContact O-ND2 3.21Å; S1212-N1216 VanDerWaalsContact O-ND2 3.13Å; I1214-N1216 VanDerWaalsContact C-N 3.33Å; I1214-N1216 PolarHBondContact O-N 3.09Å; N1216-K1220 WeakPolarHBondContact O-CG 3.45Å; N1216-K1220 PolarHBondContact O-N 2.8Å; N1216-K1220 VanDerWaalsContact O-N 3.07Å |
| 1217 | H | 59.3 | Low | 54.7 | Low | 147 Ų | 147 | 72.4 Ų | 72.4 | 68% | 0.681 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -73.7 | -42 | 178.8 | -136.9 | 97.6 | 0 | 0 | 0 | 112.3 | G1213 I1214 A1215 K1220 A1221 | G1213-H1217 PolarHBondContact O-N 3.13Å; I1214-H1217 PolarHBondContact O-N 3.4Å; A1215-H1217 VanDerWaalsContact C-N 3.32Å; A1215-H1217 PolarHBondContact O-N 3.2Å; H1217-K1220 PolarHBondContact O-N 3.1Å; H1217-A1221 PolarHBondContact O-N 2.78Å |
| 1218 | I | 55.8 | Low | 55.1 | Low | 28 Ų | 28 | 74.6 Ų | 74.6 | 14% | 0.144 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -72 | -35.9 | 176 | -51.6 | 169.3 | 0 | 0 | 0 | 109.9 | L1181 R1182 L1185 I1214 K1220 A1221 F1222 | L1181-I1218 HydrophobicContact CD2-CB 4.48Å; L1181-I1218 HydrophobicContact CD2-CD1 4.33Å; R1182-I1218 HydrophobicContact CG-CD1 4.06Å; R1182-I1218 HydrophobicContact CG-CG2 4.38Å; L1185-I1218 HydrophobicContact CD1-CB 3.9Å; L1185-I1218 HydrophobicContact CD1-CG2 3.41Å; L1185-I1218 VanDerWaalsContact CD1-CG2 3.41Å; I1214-I1218 HydrophobicContact CG2-CD1 3.6Å; I1214-I1218 HydrophobicContact CG2-CG1 4.01Å; I1214-I1218 WeakPolarHBondContact O-CG1 3.47Å; I1214-I1218 PolarHBondContact O-N 2.75Å; I1218-K1220 PolarHBondContact O-N 2.9Å; I1218-A1221 PolarHBondContact O-N 2.88Å; I1218-F1222 WeakPolarHBondContact O-CB 3.17Å; I1218-F1222 PolarHBondContact O-N 3.16Å |
| 1219 | Y | 60.6 | Low | 55.3 | Low | 45 Ų | 45 | 76.1 Ų | 76.1 | 18% | 0.176 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -54.3 | -49.8 | 168.9 | 176.2 | -87 | 0 | 0 | 0 | 112 | L1198 L1199 I1202 A1215 F1222 E1223 | L1198-Y1219 HydrophobicContact CB-CE2 3.96Å; L1198-Y1219 HydrophobicContact CD2-CD2 3.72Å; L1198-Y1219 HydrophobicContact CD2-CE2 3.69Å; L1198-Y1219 HydrophobicContact CG-CD2 3.78Å; L1198-Y1219 HydrophobicContact CG-CE2 3.68Å; L1199-Y1219 HydrophobicContact CB-CE2 3.93Å; L1199-Y1219 HydrophobicContact CD1-CD1 4.42Å; L1199-Y1219 HydrophobicContact CD1-CE1 4.32Å; L1199-Y1219 HydrophobicContact CD1-CE2 4.45Å; I1202-Y1219 HydrophobicContact CD1-CD2 3.86Å; I1202-Y1219 HydrophobicContact CD1-CG 4.49Å; A1215-Y1219 VanDerWaalsContact O-CB 3.27Å; A1215-Y1219 WeakPolarHBondContact O-CB 3.39Å; A1215-Y1219 PolarHBondContact O-N 3.42Å; Y1219-F1222 WeakPolarHBondContact O-CB 3.42Å; Y1219-F1222 PolarHBondContact O-N 2.91Å; Y1219-E1223 WeakPolarHBondContact O-CB 3.38Å; Y1219-E1223 PolarHBondContact O-N 3.08Å |
| 1220 | K | 66.7 | Low | 56.1 | Low | 146 Ų | 146 | 74.6 Ų | 74.6 | 64% | 0.635 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -68 | -34.2 | 179.1 | -77.6 | -170.8 | 173.8 | -170.1 | 0 | 114 | N1216 H1217 I1218 F1222 K1224 | N1216-K1220 WeakPolarHBondContact O-CG 3.45Å; N1216-K1220 PolarHBondContact O-N 2.8Å; N1216-K1220 VanDerWaalsContact O-N 3.07Å; H1217-K1220 PolarHBondContact O-N 3.1Å; I1218-K1220 PolarHBondContact O-N 2.9Å; K1220-F1222 VanDerWaalsContact C-N 3.35Å; K1220-K1224 PolarHBondContact O-N 2.84Å |
| 1221 | A | 60.4 | Low | 56.8 | Low | 55 Ų | 55 | 76.3 Ų | 76.3 | 46% | 0.455 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111 | H1217 I1218 K1224 E1225 | H1217-A1221 PolarHBondContact O-N 2.78Å; I1218-A1221 PolarHBondContact O-N 2.88Å; A1221-K1224 WeakPolarHBondContact O-CB 3.45Å; A1221-K1224 PolarHBondContact O-N 2.89Å; A1221-K1224 VanDerWaalsContact O-N 3.13Å; A1221-E1225 PolarHBondContact O-N 2.93Å |
| 1222 | F | 56.4 | Low | 56.9 | Low | 21 Ų | 21 | 80.4 Ų | 80.4 | 9% | 0.092 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65 | -43.2 | 177.8 | 178.5 | -114.8 | 0 | 0 | 0 | 113 | L1185 Y1189 L1198 I1218 Y1219 K1220 K1224 E1225 L1226 | L1185-F1222 HydrophobicContact CD2-CD1 3.92Å; L1185-F1222 HydrophobicContact CD2-CE1 4.34Å; L1185-F1222 HydrophobicContact CD2-CG 4.34Å; Y1189-F1222 VanDerWaalsContact CB-CE2 3.43Å; Y1189-F1222 HydrophobicContact CD1-CE2 4.31Å; Y1189-F1222 AromaticContact CD2-CE2 3.42Å; Y1189-F1222 HydrophobicContact CD2-CE2 3.42Å; Y1189-F1222 VanDerWaalsContact CD2-CE2 3.42Å; Y1189-F1222 AromaticContact CD2-CZ 3.5Å; Y1189-F1222 HydrophobicContact CD2-CZ 3.5Å; Y1189-F1222 HydrophobicContact CE2-CE2 4.21Å; Y1189-F1222 HydrophobicContact CE2-CZ 4.48Å; Y1189-F1222 AromaticContact CG-CE2 3.47Å; Y1189-F1222 HydrophobicContact CG-CE2 3.47Å; Y1189-F1222 VanDerWaalsContact CG-CE2 3.47Å; Y1189-F1222 AromaticContact CG-CZ 3.8Å; Y1189-F1222 HydrophobicContact CG-CZ 3.8Å; L1198-F1222 HydrophobicContact CD2-CD1 3.79Å; L1198-F1222 HydrophobicContact CD2-CE1 3.72Å; I1218-F1222 WeakPolarHBondContact O-CB 3.17Å; I1218-F1222 PolarHBondContact O-N 3.16Å; Y1219-F1222 WeakPolarHBondContact O-CB 3.42Å; Y1219-F1222 PolarHBondContact O-N 2.91Å; K1220-F1222 VanDerWaalsContact C-N 3.35Å; F1222-K1224 PolarHBondContact O-N 3.45Å; F1222-K1224 VanDerWaalsContact O-N 3.13Å; F1222-E1225 PolarHBondContact O-N 3.23Å; F1222-L1226 HydrophobicContact CE1-CD1 4.31Å; F1222-L1226 HydrophobicContact CZ-CD1 4.14Å; F1222-L1226 PolarHBondContact O-N 3.43Å; F1222-L1226 VanDerWaalsContact O-N 3.07Å |
| 1223 | E | 62.6 | Low | 56.9 | Low | 67 Ų | 67 | 81.3 Ų | 81.3 | 31% | 0.313 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.7 | -17.7 | 173.1 | -155.7 | -153.7 | 128.7 | 0 | 0 | 112.6 | Y1219 R1227 | Y1219-E1223 WeakPolarHBondContact O-CB 3.38Å; Y1219-E1223 PolarHBondContact O-N 3.08Å; E1223-R1227 VanDerWaalsContact CD-NH2 3.27Å; E1223-R1227 VanDerWaalsContact O-CZ 3.25Å; E1223-R1227 PolarHBondContact O-NE 2.95Å; E1223-R1227 PolarHBondContact O-NH2 2.6Å; E1223-R1227 IonicContact OE1-CZ 2.74Å; E1223-R1227 IonicContact OE1-NH1 2.69Å; E1223-R1227 PolarHBondContact OE1-NH1 3.34Å; E1223-R1227 IonicContact OE1-NH2 3.34Å; E1223-R1227 PolarHBondContact OE1-NH2 3.04Å |
| 1224 | K | 67.3 | Low | 56.6 | Low | 141 Ų | 141 | 84 Ų | 84 | 61% | 0.613 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -84.3 | -48.5 | 173 | -172.1 | 177.8 | 175.8 | 178 | 0 | 111.8 | K1220 A1221 F1222 L1226 R1227 E1228 | K1220-K1224 PolarHBondContact O-N 2.84Å; A1221-K1224 WeakPolarHBondContact O-CB 3.45Å; A1221-K1224 PolarHBondContact O-N 2.89Å; A1221-K1224 VanDerWaalsContact O-N 3.13Å; F1222-K1224 PolarHBondContact O-N 3.45Å; F1222-K1224 VanDerWaalsContact O-N 3.13Å; K1224-L1226 VanDerWaalsContact C-N 3.26Å; K1224-L1226 PolarHBondContact O-N 2.78Å; K1224-R1227 PolarHBondContact O-N 2.92Å; K1224-E1228 PolarHBondContact O-N 2.93Å; K1224-E1228 VanDerWaalsContact O-N 3.12Å |
| 1225 | E | 55 | Low | 56.6 | Low | 123 Ų | 123 | 86.1 Ų | 86.1 | 58% | 0.575 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -58.8 | -37.9 | 177.6 | -69.8 | -175.5 | 134.7 | 0 | 0 | 112.1 | A1221 F1222 E1228 H1229 | A1221-E1225 PolarHBondContact O-N 2.93Å; F1222-E1225 PolarHBondContact O-N 3.23Å; E1225-E1228 PolarHBondContact O-N 2.88Å; E1225-H1229 PolarHBondContact O-N 2.73Å |
| 1226 | L | 56.6 | Low | 55.9 | Low | 63 Ų | 63 | 95.7 Ų | 95.7 | 33% | 0.33 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.1 | -47.3 | -179.2 | -161.9 | 145.5 | 0 | 0 | 0 | 112.2 | Y1189 F1222 K1224 E1228 H1229 E1230 | Y1189-L1226 HydrophobicContact CD2-CD1 4.05Å; Y1189-L1226 HydrophobicContact CE2-CB 4.32Å; Y1189-L1226 HydrophobicContact CE2-CD1 4.03Å; Y1189-L1226 HydrophobicContact CE2-CG 4.03Å; F1222-L1226 HydrophobicContact CE1-CD1 4.31Å; F1222-L1226 HydrophobicContact CZ-CD1 4.14Å; F1222-L1226 PolarHBondContact O-N 3.43Å; F1222-L1226 VanDerWaalsContact O-N 3.07Å; K1224-L1226 VanDerWaalsContact C-N 3.26Å; K1224-L1226 PolarHBondContact O-N 2.78Å; L1226-E1228 PolarHBondContact O-N 3.35Å; L1226-H1229 PolarHBondContact O-N 3.24Å; L1226-E1230 PolarHBondContact O-N 3.3Å |
| 1227 | R | 59.3 | Low | 54.7 | Low | 136 Ų | 136 | 96.6 Ų | 96.6 | 51% | 0.513 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.4 | -36.1 | 174.2 | -80.9 | -179.3 | -71.4 | -120.5 | -9.1 | 112.9 | E1223 K1224 H1229 R1231 | E1223-R1227 VanDerWaalsContact CD-NH2 3.27Å; E1223-R1227 VanDerWaalsContact O-CZ 3.25Å; E1223-R1227 PolarHBondContact O-NE 2.95Å; E1223-R1227 PolarHBondContact O-NH2 2.6Å; E1223-R1227 IonicContact OE1-CZ 2.74Å; E1223-R1227 IonicContact OE1-NH1 2.69Å; E1223-R1227 PolarHBondContact OE1-NH1 3.34Å; E1223-R1227 IonicContact OE1-NH2 3.34Å; E1223-R1227 PolarHBondContact OE1-NH2 3.04Å; K1224-R1227 PolarHBondContact O-N 2.92Å; R1227-H1229 VanDerWaalsContact C-N 3.32Å; R1227-R1231 WeakPolarHBondContact O-CB 3.34Å; R1227-R1231 PolarHBondContact O-N 3.18Å |
| 1228 | E | 62.9 | Low | 53.3 | Low | 106 Ų | 106 | 97.9 Ų | 97.9 | 50% | 0.495 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.8 | -32.6 | 178.9 | -162 | 161.1 | -153.9 | 0 | 0 | 111.4 | K1224 E1225 L1226 L1232 | K1224-E1228 PolarHBondContact O-N 2.93Å; K1224-E1228 VanDerWaalsContact O-N 3.12Å; E1225-E1228 PolarHBondContact O-N 2.88Å; L1226-E1228 PolarHBondContact O-N 3.35Å; E1228-L1232 WeakPolarHBondContact O-CG 3.39Å; E1228-L1232 PolarHBondContact O-N 3.31Å |
| 1229 | H | 54 | Low | 52 | Low | 79 Ų | 79 | 100.7 Ų | 100.7 | 37% | 0.366 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -75.9 | -39.1 | 174.3 | -160.6 | -69.2 | 0 | 0 | 0 | 113.3 | Y1189 E1225 L1226 R1227 R1231 L1232 E1233 | Y1189-H1229 WeakPolarHBondContact OH-CB 3.29Å; E1225-H1229 PolarHBondContact O-N 2.73Å; L1226-H1229 PolarHBondContact O-N 3.24Å; R1227-H1229 VanDerWaalsContact C-N 3.32Å; H1229-R1231 VanDerWaalsContact C-N 3.29Å; H1229-R1231 PolarHBondContact O-N 2.86Å; H1229-L1232 PolarHBondContact O-N 3.28Å; H1229-E1233 IonicContact CE1-OE1 3.85Å; H1229-E1233 PolarHBondContact CE1-OE1 3.43Å; H1229-E1233 VanDerWaalsContact CE1-OE1 3.28Å; H1229-E1233 IonicContact ND1-OE1 2.82Å; H1229-E1233 PolarHBondContact O-N 2.8Å |
| 1230 | E | 55.6 | Low | 50.2 | Low | 91 Ų | 91 | 103.2 Ų | 103.2 | 43% | 0.425 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.4 | -39.2 | 171.6 | -72.6 | 179.2 | 147.1 | 0 | 0 | 111.5 | L1226 L1232 E1233 N1234 | L1226-E1230 PolarHBondContact O-N 3.3Å; E1230-L1232 VanDerWaalsContact C-N 3.33Å; E1230-L1232 PolarHBondContact O-N 3.03Å; E1230-E1233 PolarHBondContact O-N 3.29Å; E1230-N1234 WeakPolarHBondContact O-CB 3.48Å; E1230-N1234 PolarHBondContact O-N 3.39Å; E1230-N1234 PolarHBondContact O-ND2 3.47Å |
| 1231 | R | 59 | Low | 48.2 | Very low | 126 Ų | 126 | 105.6 Ų | 105.6 | 48% | 0.475 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.3 | -44.6 | 173.5 | -156.4 | -170.3 | 73.6 | 68.9 | 25.9 | 111.4 | R1227 H1229 N1234 E1235 | R1227-R1231 WeakPolarHBondContact O-CB 3.34Å; R1227-R1231 PolarHBondContact O-N 3.18Å; H1229-R1231 VanDerWaalsContact C-N 3.29Å; H1229-R1231 PolarHBondContact O-N 2.86Å; R1231-N1234 PolarHBondContact O-N 2.94Å; R1231-E1235 IonicContact CZ-OE1 3.47Å; R1231-E1235 IonicContact CZ-OE2 2.79Å; R1231-E1235 VanDerWaalsContact NH1-CD 3.26Å; R1231-E1235 IonicContact NH1-OE1 3.52Å; R1231-E1235 PolarHBondContact NH1-OE1 3.5Å; R1231-E1235 IonicContact NH1-OE2 3.51Å; R1231-E1235 PolarHBondContact NH1-OE2 3.22Å; R1231-E1235 IonicContact NH2-OE1 3.42Å; R1231-E1235 PolarHBondContact NH2-OE1 3.31Å; R1231-E1235 IonicContact NH2-OE2 2.73Å; R1231-E1235 PolarHBondContact NH2-OE2 3.24Å; R1231-E1235 WeakPolarHBondContact O-CG 3.46Å; R1231-E1235 PolarHBondContact O-N 3Å |
| 1232 | L | 48.7 | Very low | 46.6 | Very low | 89 Ų | 89 | 112.1 Ų | 112.1 | 47% | 0.466 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -71.8 | -32.1 | 178.9 | -72.9 | 165 | 0 | 0 | 0 | 113.8 | E1228 H1229 E1230 R1236 | E1228-L1232 WeakPolarHBondContact O-CG 3.39Å; E1228-L1232 PolarHBondContact O-N 3.31Å; H1229-L1232 PolarHBondContact O-N 3.28Å; E1230-L1232 VanDerWaalsContact C-N 3.33Å; E1230-L1232 PolarHBondContact O-N 3.03Å; L1232-R1236 PolarHBondContact O-N 2.93Å; L1232-R1236 VanDerWaalsContact O-N 3.11Å |
| 1233 | E | 46.1 | Very low | 45.2 | Very low | 79 Ų | 79 | 119.5 Ų | 119.5 | 37% | 0.369 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -69.6 | -37.6 | 172.4 | -75.4 | -176.7 | 160.5 | 0 | 0 | 111.5 | R1192 H1229 E1230 R1236 S1237 | R1192-E1233 IonicContact CZ-OE2 3.12Å; R1192-E1233 IonicContact NH1-OE2 3.18Å; R1192-E1233 IonicContact NH2-OE1 2.66Å; R1192-E1233 PolarHBondContact NH2-OE1 3.1Å; R1192-E1233 IonicContact NH2-OE2 3.75Å; R1192-E1233 PolarHBondContact NH2-OE2 2.89Å; H1229-E1233 IonicContact CE1-OE1 3.85Å; H1229-E1233 PolarHBondContact CE1-OE1 3.43Å; H1229-E1233 VanDerWaalsContact CE1-OE1 3.28Å; H1229-E1233 IonicContact ND1-OE1 2.82Å; H1229-E1233 PolarHBondContact O-N 2.8Å; E1230-E1233 PolarHBondContact O-N 3.29Å; E1233-R1236 WeakPolarHBondContact O-CB 3.43Å; E1233-R1236 PolarHBondContact O-N 2.86Å; E1233-S1237 PolarHBondContact O-N 2.83Å; E1233-S1237 PolarHBondContact O-OG 3.45Å |
| 1234 | N | 44.2 | Very low | 43.5 | Very low | 105 Ų | 105 | 121.4 Ų | 121.4 | 56% | 0.561 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -70.6 | -36.9 | 174.3 | -71.6 | -33.4 | 0 | 0 | 0 | 113.2 | E1230 R1231 R1236 S1237 M1238 | E1230-N1234 WeakPolarHBondContact O-CB 3.48Å; E1230-N1234 PolarHBondContact O-N 3.39Å; E1230-N1234 PolarHBondContact O-ND2 3.47Å; R1231-N1234 PolarHBondContact O-N 2.94Å; N1234-R1236 VanDerWaalsContact C-N 3.27Å; N1234-R1236 PolarHBondContact O-N 3.2Å; N1234-S1237 WeakPolarHBondContact CA-OG 3.01Å; N1234-S1237 PolarHBondContact O-N 3.17Å; N1234-S1237 PolarHBondContact O-OG 2.96Å; N1234-S1237 VanDerWaalsContact O-OG 3.08Å; N1234-M1238 PolarHBondContact O-N 2.7Å |
| 1235 | E | 48.7 | Very low | 41.4 | Very low | 98 Ų | 98 | 119.6 Ų | 119.6 | 46% | 0.458 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.5 | -34.1 | 170.3 | -76.6 | 177.9 | 147.8 | 0 | 0 | 112 | R1231 | R1231-E1235 IonicContact CZ-OE1 3.47Å; R1231-E1235 IonicContact CZ-OE2 2.79Å; R1231-E1235 VanDerWaalsContact NH1-CD 3.26Å; R1231-E1235 IonicContact NH1-OE1 3.52Å; R1231-E1235 PolarHBondContact NH1-OE1 3.5Å; R1231-E1235 IonicContact NH1-OE2 3.51Å; R1231-E1235 PolarHBondContact NH1-OE2 3.22Å; R1231-E1235 IonicContact NH2-OE1 3.42Å; R1231-E1235 PolarHBondContact NH2-OE1 3.31Å; R1231-E1235 IonicContact NH2-OE2 2.73Å; R1231-E1235 PolarHBondContact NH2-OE2 3.24Å; R1231-E1235 WeakPolarHBondContact O-CG 3.46Å; R1231-E1235 PolarHBondContact O-N 3Å |
| 1236 | R | 36.2 | Very low | 40.1 | Very low | 203 Ų | 203 | 118.3 Ų | 118.3 | 77% | 0.766 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.8 | -44.3 | 175 | -111 | 177.6 | 173.4 | 167.8 | -0.5 | 112.5 | L1232 E1233 N1234 M1238 S1239 | L1232-R1236 PolarHBondContact O-N 2.93Å; L1232-R1236 VanDerWaalsContact O-N 3.11Å; E1233-R1236 WeakPolarHBondContact O-CB 3.43Å; E1233-R1236 PolarHBondContact O-N 2.86Å; N1234-R1236 VanDerWaalsContact C-N 3.27Å; N1234-R1236 PolarHBondContact O-N 3.2Å; R1236-M1238 VanDerWaalsContact C-N 3.31Å; R1236-M1238 PolarHBondContact O-N 2.91Å; R1236-S1239 PolarHBondContact O-N 3.3Å; R1236-S1239 VanDerWaalsContact O-N 3.16Å; R1236-S1239 PolarHBondContact O-OG 2.71Å |
| 1237 | S | 33 | Very low | 38.6 | Very low | 80 Ų | 80 | 124.6 Ų | 124.6 | 56% | 0.559 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -69.7 | -23.8 | -177.2 | 62.2 | 0 | 0 | 0 | 0 | 113.8 | E1233 N1234 S1239 | E1233-S1237 PolarHBondContact O-N 2.83Å; E1233-S1237 PolarHBondContact O-OG 3.45Å; N1234-S1237 WeakPolarHBondContact CA-OG 3.01Å; N1234-S1237 PolarHBondContact O-N 3.17Å; N1234-S1237 PolarHBondContact O-OG 2.96Å; N1234-S1237 VanDerWaalsContact O-OG 3.08Å; S1237-S1239 VanDerWaalsContact C-N 3.31Å; S1237-S1239 PolarHBondContact O-N 2.65Å |
| 1238 | M | 30.3 | Very low | 36.9 | Very low | 175 Ų | 175 | 120.4 Ų | 120.4 | 86% | 0.862 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -6.1 | 172 | -67.1 | -144.6 | 78.6 | 0 | 0 | 114.6 | N1234 R1236 | N1234-M1238 PolarHBondContact O-N 2.7Å; R1236-M1238 VanDerWaalsContact C-N 3.31Å; R1236-M1238 PolarHBondContact O-N 2.91Å |
| 1239 | S | 27.6 | Very low | 35.1 | Very low | 86 Ų | 86 | 119.1 Ų | 119.1 | 60% | 0.601 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | 6 | -171.7 | 72.9 | 0 | 0 | 0 | 0 | 115.9 | R1236 S1237 | R1236-S1239 PolarHBondContact O-N 3.3Å; R1236-S1239 VanDerWaalsContact O-N 3.16Å; R1236-S1239 PolarHBondContact O-OG 2.71Å; S1237-S1239 VanDerWaalsContact C-N 3.31Å; S1237-S1239 PolarHBondContact O-N 2.65Å |
| 1240 | T | 24.8 | Very low | 33.7 | Very low | 98 Ų | 98 | 117.7 Ų | 117.7 | 60% | 0.601 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -132.5 | 72.7 | -173.8 | 57.8 | 0 | 0 | 0 | 0 | 114.2 | ||
| 1241 | F | 23.2 | Very low | 32.4 | Very low | 197 Ų | 197 | 118.6 Ų | 118.6 | 86% | 0.864 | 59% | 0.589 | S | S | * | * | trans | -175.8 | 70.5 | 150.4 | -103 | -62.3 | 0 | 0 | 0 | 113.4 | ||||
| 1242 | K | 27.2 | Very low | 31.1 | Very low | 192 Ų | 192 | 116.8 Ų | 116.8 | 84% | 0.835 | 60% | 0.601 | S | S | * | * | trans | 171.6 | 136.9 | 159.4 | -103.4 | 159.1 | -177.3 | -180 | 0 | 110 | ||||
| 1243 | H | 27.5 | Very low | 30 | Very low | 175 Ų | 175 | 119.8 Ų | 119.8 | 81% | 0.81 | 62% | 0.618 | S | S | * | * | cis | -149.6 | 165.1 | -31.1 | -113.5 | -34.3 | 0 | 0 | 0 | 108.2 | ||||
| 1244 | H | 25.5 | Very low | 29.1 | Very low | 108 Ų | 108 | 122.2 Ų | 122.2 | 50% | 0.5 | 64% | 0.638 | S | S | . | * | trans | -87.4 | 129.5 | -165.4 | -112.6 | -61 | 0 | 0 | 0 | 114.2 | D273 F274 | D273-H1244 IonicContact OD2-CE1 3.19Å; D273-H1244 IonicContact OD2-ND1 2.73Å; D273-H1244 PolarHBondContact OD2-ND1 2.93Å; F274-H1244 VanDerWaalsContact CB-CE1 3.47Å; F274-H1244 WeakPolarHBondContact CB-CE1 3.46Å; F274-H1244 AromaticContact CD1-CE1 3.52Å; F274-H1244 AromaticContact CD2-CE1 3.72Å; F274-H1244 AromaticContact CD2-NE2 3.51Å; F274-H1244 AromaticContact CG-CE1 3.28Å; F274-H1244 WeakPolarHBondContact CG-CE1 3.43Å; F274-H1244 AromaticContact CG-NE2 3.54Å | ||
| 1245 | N | 24.7 | Very low | 28.1 | Very low | 103 Ų | 103 | 124.9 Ų | 124.9 | 55% | 0.551 | 65% | 0.647 | S | S | * | * | 173.2 | 145.9 | 116.8 | -96 | 11.5 | 0 | 0 | 0 | 115.7 | D273 | D273-N1245 WeakPolarHBondContact OD2-CA 3.23Š| |||
| 1246 | H | 26.2 | Very low | 27.1 | Very low | 95 Ų | 95 | 126.3 Ų | 126.3 | 44% | 0.44 | 66% | 0.657 | S | S | . | * | trans | 72.4 | 112.3 | 148.6 | -55.5 | -29.1 | 0 | 0 | 0 | 121 | C271 S272 D273 | C271-H1246 VanDerWaalsContact SG-CE1 3.53Å; S272-H1246 PolarHBondContact OG-ND1 3.08Å; D273-H1246 PolarHBondContact OD1-N 3.17Å; D273-H1246 IonicContact OD1-ND1 3.72Å; D273-H1246 PolarHBondContact OD2-N 3.14Å | ||
| 1247 | R | 25.2 | Very low | 26.8 | Very low | 196 Ų | 196 | 122.8 Ų | 122.8 | 74% | 0.74 | 65% | 0.653 | S | S | * | * | -161.7 | 160.3 | 103.1 | -103.5 | -178.2 | 175.5 | -171 | -4.8 | 111.1 | N1661 P1662 | R1247-N1661 WeakPolarHBondContact CG-O 3.45Å; R1247-P1662 VanDerWaalsContact NH1-CD 3.34Å | |||
| 1248 | R | 24.2 | Very low | 26.4 | Very low | 47 Ų | 47 | 125.5 Ų | 125.5 | 18% | 0.177 | 67% | 0.669 | C | S | . | * | trans | -123.7 | -179.3 | -169.8 | -50 | 141.8 | 79.5 | 177.1 | 16.1 | 111.7 | T270 L1658 T1660 N1661 | T270-R1248 PolarHBondContact OG1-NH2 3.39Å; R1248-L1658 VanDerWaalsContact NH2-CB 3.25Å; R1248-L1658 PolarHBondContact NH2-O 2.75Å; R1248-T1660 WeakPolarHBondContact CD-OG1 3.21Å; R1248-T1660 PolarHBondContact NH1-OG1 2.77Å; R1248-N1661 VanDerWaalsContact C-N 3.32Å; R1248-N1661 PolarHBondContact N-O 3.32Å; R1248-N1661 CarbonylContact O-C 3.6Å; R1248-N1661 VanDerWaalsContact O-C 3.27Å; R1248-N1661 VanDerWaalsContact O-CA 3.31Å; R1248-N1661 WeakPolarHBondContact O-CA 3.32Å; R1248-N1661 PolarHBondContact O-N 3.43Å; R1248-N1661 VanDerWaalsContact O-N 3.09Å | ||
| 1249 | S | 25.4 | Very low | 26 | Very low | 80 Ų | 80 | 121.5 Ų | 121.5 | 56% | 0.559 | 66% | 0.658 | S | S | * | * | trans | -81.6 | 164.8 | -178.8 | 47.6 | 0 | 0 | 0 | 0 | 115.5 | S1659 N1661 | S1249-S1659 CarbonylContact O-C 3.59Å; S1249-S1659 WeakPolarHBondContact O-CA 3.48Å; S1249-S1659 PolarHBondContact O-OG 3.32Å; S1249-N1661 PolarHBondContact O-N 3.45Å; S1249-N1661 PolarHBondContact O-OD1 3.01Å | ||
| 1250 | A | 25.1 | Very low | 25.9 | Very low | 48 Ų | 48 | 122.3 Ų | 122.3 | 40% | 0.397 | 66% | 0.66 | S | S | . | * | trans | -168.1 | 172.5 | 138.2 | 0 | 0 | 0 | 0 | 0 | 111 | N1661 | A1250-N1661 WeakPolarHBondContact CB-OD1 3.3Š| ||
| 1251 | S | 27.9 | Very low | 26 | Very low | 110 Ų | 110 | 126.5 Ų | 126.5 | 77% | 0.769 | 67% | 0.672 | S | S | * | * | trans | -119.7 | 165.9 | 178.3 | 54.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1252 | A | 31 | Very low | 26.2 | Very low | 89 Ų | 89 | 123.3 Ų | 123.3 | 74% | 0.736 | 66% | 0.663 | S | S | * | * | trans | -168.3 | 118.1 | 158.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1253 | D | 25.5 | Very low | 26.1 | Very low | 152 Ų | 152 | 121.2 Ų | 121.2 | 81% | 0.813 | 66% | 0.661 | S | S | * | * | 33.6 | 137.2 | 127.3 | -59.5 | -12.1 | 0 | 0 | 0 | 124.1 | |||||
| 1254 | T | 28.3 | Very low | 26.2 | Very low | 129 Ų | 129 | 118.8 Ų | 118.8 | 79% | 0.791 | 66% | 0.664 | S | S | * | * | trans | 69.6 | 80.7 | 133.2 | -55.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1255 | E | 23.2 | Very low | 26.3 | Very low | 162 Ų | 162 | 118 Ų | 118 | 76% | 0.757 | 67% | 0.671 | S | S | * | * | -12 | 151.6 | 120.7 | -79.9 | -165.3 | 157.2 | 0 | 0 | 117.3 | |||||
| 1256 | L | 26.5 | Very low | 26.3 | Very low | 128 Ų | 128 | 120.3 Ų | 120.3 | 67% | 0.67 | 68% | 0.678 | S | S | * | * | cis | -161.8 | 154.1 | 24.4 | -125.5 | 161.9 | 0 | 0 | 0 | 112.2 | ||||
| 1257 | N | 30.2 | Very low | 26.5 | Very low | 128 Ų | 128 | 119.9 Ų | 119.9 | 68% | 0.684 | 68% | 0.679 | S | S | * | * | trans | -17.2 | 159.6 | 167.3 | -60.4 | -32.7 | 0 | 0 | 0 | 121 | ||||
| 1258 | P | 25.8 | Very low | 26.4 | Very low | 137 Ų | 137 | 115.1 Ų | 115.1 | 89% | 0.89 | 67% | 0.672 | S | S | * | * | -121.8 | 164.8 | 103.3 | 36.8 | -35.6 | 0 | 0 | 0 | 113.9 | |||||
| 1259 | S | 21.7 | Very low | 26.4 | Very low | 91 Ų | 91 | 119.5 Ų | 119.5 | 64% | 0.636 | 70% | 0.704 | S | S | * | * | trans | -122.5 | 158.6 | -160.4 | 64.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 1260 | T | 25 | Very low | 26.4 | Very low | 103 Ų | 103 | 119.4 Ų | 119.4 | 63% | 0.632 | 72% | 0.716 | S | S | * | * | trans | 55.8 | 99.8 | 145.1 | 51.3 | 0 | 0 | 0 | 0 | 120.9 | I1262 | T1260-I1262 HydrophobicContact CG2-CD1 4.06Š| ||
| 1261 | Q | 26.3 | Very low | 26.6 | Very low | 186 Ų | 186 | 125 Ų | 125 | 87% | 0.869 | 74% | 0.737 | S | S | * | * | -136.7 | 133.8 | 121.5 | -70.8 | -173.4 | -10 | 0 | 0 | 106.2 | |||||
| 1262 | I | 27.2 | Very low | 26.4 | Very low | 131 Ų | 131 | 127.5 Ų | 127.5 | 67% | 0.672 | 74% | 0.74 | S | S | * | * | cis | 71.8 | 94.9 | 18.4 | -46.1 | -179.5 | 0 | 0 | 0 | 114.1 | T1260 | T1260-I1262 HydrophobicContact CG2-CD1 4.06Š| ||
| 1263 | N | 25.8 | Very low | 26.4 | Very low | 147 Ų | 147 | 128.7 Ų | 128.7 | 79% | 0.786 | 74% | 0.738 | S | S | * | * | trans | -176.1 | 104.7 | 139.7 | -98.9 | -22.2 | 0 | 0 | 0 | 112.4 | ||||
| 1264 | S | 30.3 | Very low | 26.5 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 87% | 0.874 | 74% | 0.737 | S | S | * | * | trans | -172.2 | 77.5 | 148 | 63.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1265 | S | 26 | Very low | 26.3 | Very low | 92 Ų | 92 | 128.8 Ų | 128.8 | 64% | 0.643 | 74% | 0.735 | S | S | * | * | trans | -76.8 | -177.4 | 168.4 | 38.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1266 | E | 26.5 | Very low | 26.5 | Very low | 150 Ų | 150 | 125.6 Ų | 125.6 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | cis | -167.6 | 176.4 | -30.5 | -95.9 | 158.8 | 151.3 | 0 | 0 | 106 | ||||
| 1267 | N | 28.7 | Very low | 26.4 | Very low | 86 Ų | 86 | 128 Ų | 128 | 46% | 0.46 | 73% | 0.734 | S | S | . | * | trans | 153.5 | 152.4 | 135.7 | -81.8 | 3.4 | 0 | 0 | 0 | 113 | S1678 S1679 | N1267-S1678 VanDerWaalsContact ND2-CA 3.32Å; N1267-S1678 WeakPolarHBondContact ND2-CA 3.35Å; N1267-S1679 WeakPolarHBondContact ND2-CA 3.43Å | ||
| 1268 | T | 24.6 | Very low | 26 | Very low | 97 Ų | 97 | 128.4 Ų | 128.4 | 60% | 0.595 | 74% | 0.736 | S | S | * | * | cis | -172.3 | 141.9 | -40.9 | 27.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1269 | T | 23.2 | Very low | 26.1 | Very low | 139 Ų | 139 | 126.4 Ų | 126.4 | 85% | 0.853 | 73% | 0.726 | S | S | * | * | trans | 48.4 | 125.4 | 150.2 | 59.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 1270 | G | 25 | Very low | 26.3 | Very low | 78 Ų | 78 | 126.8 Ų | 126.8 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | trans | 170.3 | 85.1 | 160.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1271 | I | 29.1 | Very low | 26.4 | Very low | 166 Ų | 166 | 129.3 Ų | 129.3 | 85% | 0.851 | 74% | 0.738 | S | S | * | * | trans | -95.5 | 118.7 | 168.3 | -64.5 | 175.6 | 0 | 0 | 0 | 109 | ||||
| 1272 | I | 24.6 | Very low | 26.3 | Very low | 162 Ų | 162 | 126.6 Ų | 126.6 | 83% | 0.831 | 73% | 0.729 | S | S | * | * | trans | -137.7 | 138.5 | 165.1 | -64.5 | -176.7 | 0 | 0 | 0 | 108.6 | ||||
| 1273 | V | 30.4 | Very low | 26.2 | Very low | 113 Ų | 113 | 127 Ų | 127 | 69% | 0.685 | 73% | 0.732 | S | S | * | * | trans | -127.4 | 159.3 | 168.9 | -147.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1274 | P | 27.8 | Very low | 26.1 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 79% | 0.786 | 73% | 0.733 | S | S | * | * | -144.2 | 148.7 | 95.7 | 34.8 | -18.1 | 0 | 0 | 0 | 116.1 | |||||
| 1275 | Q | 23.8 | Very low | 26 | Very low | 163 Ų | 163 | 126.7 Ų | 126.7 | 76% | 0.762 | 73% | 0.726 | S | S | * | * | trans | -14.6 | 154.3 | 155.8 | -77.1 | -169.9 | 1 | 0 | 0 | 118.9 | ||||
| 1276 | P | 27.4 | Very low | 26 | Very low | 95 Ų | 95 | 129.5 Ų | 129.5 | 62% | 0.617 | 73% | 0.728 | S | S | * | * | cis | -148.4 | -172.5 | 46.4 | 48.4 | -29.9 | 0 | 0 | 0 | 116 | ||||
| 1277 | F | 24.9 | Very low | 25.9 | Very low | 178 Ų | 178 | 125.6 Ų | 125.6 | 78% | 0.781 | 73% | 0.728 | S | S | * | * | cis | -137.7 | 166.9 | 3.6 | -99.2 | -61.5 | 0 | 0 | 0 | 111.2 | ||||
| 1278 | N | 23.1 | Very low | 25.8 | Very low | 136 Ų | 136 | 132.9 Ų | 132.9 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | trans | -17 | 151.5 | 157 | -56.5 | 5.7 | 0 | 0 | 0 | 117.5 | ||||
| 1279 | S | 27.4 | Very low | 25.8 | Very low | 96 Ų | 96 | 131.8 Ų | 131.8 | 67% | 0.671 | 75% | 0.747 | S | S | * | * | cis | -179.8 | 168.6 | -10.6 | 50.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1280 | S | 24.9 | Very low | 25.9 | Very low | 99 Ų | 99 | 129.9 Ų | 129.9 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | trans | 65.3 | 154.5 | 175.9 | 66.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1281 | D | 27.4 | Very low | 25.9 | Very low | 155 Ų | 155 | 133.3 Ų | 133.3 | 83% | 0.829 | 74% | 0.735 | S | S | * | * | cis | -174.2 | 154.6 | -29.3 | -87 | -29 | 0 | 0 | 0 | 105.4 | ||||
| 1282 | D | 24.3 | Very low | 25.8 | Very low | 130 Ų | 130 | 131.1 Ų | 131.1 | 70% | 0.695 | 73% | 0.725 | S | S | * | * | cis | -166.6 | 174.1 | -22.9 | -179.5 | 29.6 | 0 | 0 | 0 | 106.7 | ||||
| 1283 | L | 24.7 | Very low | 25.9 | Very low | 140 Ų | 140 | 129.3 Ų | 129.3 | 73% | 0.733 | 72% | 0.715 | S | S | * | * | trans | 72.2 | 139 | 168.9 | -48.5 | 172.3 | 0 | 0 | 0 | 116.5 | ||||
| 1284 | T | 25.3 | Very low | 25.7 | Very low | 132 Ų | 132 | 130.8 Ų | 130.8 | 81% | 0.81 | 72% | 0.715 | S | S | * | * | cis | -148.4 | 132.9 | -13.1 | 18 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1285 | D | 26.2 | Very low | 25.6 | Very low | 133 Ų | 133 | 132.1 Ų | 132.1 | 71% | 0.711 | 71% | 0.71 | S | S | * | * | trans | -125.8 | 165.4 | -160.1 | -163.7 | 19.9 | 0 | 0 | 0 | 115.2 | ||||
| 1286 | Q | 27.4 | Very low | 25.8 | Very low | 150 Ų | 150 | 130.4 Ų | 130.4 | 70% | 0.701 | 71% | 0.707 | S | S | * | * | trans | 66.8 | 51.6 | 164.8 | -73.6 | 160.2 | 58.8 | 0 | 0 | 117.5 | ||||
| 1287 | G | 23.9 | Very low | 26 | Very low | 68 Ų | 68 | 136.6 Ų | 136.6 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | S | Bend | -63.8 | 149.3 | 128.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | S1289 | G1287-S1289 PolarHBondContact O-N 2.83Š| |
| 1288 | Y | 26 | Very low | 26.1 | Very low | 240 Ų | 240 | 132.2 Ų | 132.2 | 94% | 0.941 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -55 | 113.7 | -170.3 | -104.2 | -94.6 | 0 | 0 | 0 | 113.4 | ||
| 1289 | S | 25.6 | Very low | 26.3 | Very low | 73 Ų | 73 | 130.6 Ų | 130.6 | 51% | 0.51 | 71% | 0.711 | S | S | . | * | trans | -51.8 | 139.3 | 161.7 | -42.3 | 0 | 0 | 0 | 0 | 108.9 | G1287 | G1287-S1289 PolarHBondContact O-N 2.83Š| ||
| 1290 | T | 24.6 | Very low | 26.2 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 61% | 0.613 | 71% | 0.71 | S | S | * | * | 57 | 121.3 | 50.1 | 98.7 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 1291 | L | 25.3 | Very low | 26.2 | Very low | 150 Ų | 150 | 131.5 Ų | 131.5 | 79% | 0.785 | 71% | 0.708 | S | S | * | * | -171.2 | 156.5 | 62.8 | -79.9 | 151.9 | 0 | 0 | 0 | 106.4 | |||||
| 1292 | N | 26.5 | Very low | 26.1 | Very low | 120 Ų | 120 | 131 Ų | 131 | 64% | 0.642 | 70% | 0.7 | S | S | * | * | cis | -163 | -154.3 | -25.5 | -126 | 29.8 | 0 | 0 | 0 | 104.7 | ||||
| 1293 | I | 26.8 | Very low | 26.2 | Very low | 123 Ų | 123 | 131.6 Ų | 131.6 | 63% | 0.631 | 70% | 0.704 | S | S | * | * | cis | -155.4 | 150 | 17.4 | -18.7 | 178.9 | 0 | 0 | 0 | 108.6 | ||||
| 1294 | H | 27 | Very low | 26.2 | Very low | 144 Ų | 144 | 135.4 Ų | 135.4 | 67% | 0.667 | 71% | 0.709 | S | S | * | * | trans | 67.4 | 136.3 | 169.7 | -56.2 | -68 | 0 | 0 | 0 | 115.3 | ||||
| 1295 | E | 25 | Very low | 26.8 | Very low | 149 Ų | 149 | 133.8 Ų | 133.8 | 70% | 0.696 | 70% | 0.702 | S | S | * | * | cis | -153 | -160.9 | -12.2 | -145.8 | 142.5 | -131.5 | 0 | 0 | 111.7 | ||||
| 1296 | D | 27.4 | Very low | 26.8 | Very low | 128 Ų | 128 | 133.2 Ų | 133.2 | 68% | 0.684 | 71% | 0.706 | S | S | * | * | trans | -53.7 | 172.8 | -173.4 | -74.7 | -60.1 | 0 | 0 | 0 | 117.6 | T1298 | D1296-T1298 HydrophobicContact CB-CG2 3.87Å; D1296-T1298 PolarHBondContact O-N 3.31Å; D1296-T1298 PolarHBondContact O-OG1 3.03Å | ||
| 1297 | K | 33.3 | Very low | 26.5 | Very low | 224 Ų | 224 | 131.4 Ų | 131.4 | 97% | 0.974 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -63.9 | 84.5 | 153.6 | -76.5 | -170.2 | 173.3 | -169.7 | 0 | 110.3 | ||
| 1298 | T | 25.5 | Very low | 26.7 | Very low | 87 Ų | 87 | 133.9 Ų | 133.9 | 53% | 0.534 | 71% | 0.706 | S | S | . | * | trans | -133.3 | 169.5 | 175.6 | 44.4 | 0 | 0 | 0 | 0 | 110.5 | D1296 S1300 | D1296-T1298 HydrophobicContact CB-CG2 3.87Å; D1296-T1298 PolarHBondContact O-N 3.31Å; D1296-T1298 PolarHBondContact O-OG1 3.03Å; T1298-S1300 PolarHBondContact O-N 3.24Å | ||
| 1299 | S | 28.4 | Very low | 26.8 | Very low | 101 Ų | 101 | 127.3 Ų | 127.3 | 71% | 0.706 | 69% | 0.687 | S | S | * | * | trans | 43 | 66.6 | 167 | 46.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1300 | S | 25.4 | Very low | 27 | Very low | 92 Ų | 92 | 131.2 Ų | 131.2 | 64% | 0.643 | 70% | 0.697 | S | S | * | * | cis | 56.3 | 157 | 40.1 | 95 | 0 | 0 | 0 | 0 | 113.2 | T1298 | T1298-S1300 PolarHBondContact O-N 3.24Š| ||
| 1301 | D | 23.5 | Very low | 26.9 | Very low | 123 Ų | 123 | 130.8 Ų | 130.8 | 66% | 0.658 | 70% | 0.699 | S | S | * | * | trans | 72.4 | 136.5 | 173.9 | -71.3 | -96.2 | 0 | 0 | 0 | 117.6 | ||||
| 1302 | Q | 25.5 | Very low | 27 | Very low | 143 Ų | 143 | 129.3 Ų | 129.3 | 67% | 0.668 | 70% | 0.696 | S | S | * | * | trans | 71.8 | 83.9 | 145.7 | -67.8 | 159.1 | 53.7 | 0 | 0 | 117.7 | W1304 | Q1302-W1304 PolarHBondContact O-N 3.42Š| ||
| 1303 | D | 28 | Very low | 27 | Very low | 143 Ų | 143 | 130.5 Ų | 130.5 | 77% | 0.765 | 70% | 0.703 | S | S | * | * | -25 | 111.5 | 98.9 | -81.3 | -43.9 | 0 | 0 | 0 | 111.7 | |||||
| 1304 | W | 23 | Very low | 27 | Very low | 221 Ų | 221 | 132.8 Ų | 132.8 | 84% | 0.837 | 71% | 0.714 | S | S | * | * | -148.6 | 96.9 | 124.2 | -85.1 | 107.8 | 0 | 0 | 0 | 107.9 | Q1302 P1306 | Q1302-W1304 PolarHBondContact O-N 3.42Å; W1304-P1306 WeakPolarHBondContact O-CD 3.35Å | |||
| 1305 | S | 38.8 | Very low | 27.1 | Very low | 97 Ų | 97 | 133 Ų | 133 | 68% | 0.678 | 72% | 0.72 | S | S | * | * | trans | -48.7 | 119 | 167.5 | -44 | 0 | 0 | 0 | 0 | 110.5 | V1307 | S1305-V1307 PolarHBondContact O-N 2.95Š| ||
| 1306 | P | 26.3 | Very low | 27.4 | Very low | 122 Ų | 122 | 132.9 Ų | 132.9 | 79% | 0.792 | 72% | 0.724 | S | S | * | * | trans | -73.8 | 100.7 | 162.4 | -12.5 | 30.6 | 0 | 0 | 0 | 107.7 | W1304 | W1304-P1306 WeakPolarHBondContact O-CD 3.35Š| ||
| 1307 | V | 22 | Very low | 27.5 | Very low | 111 Ų | 111 | 132.7 Ų | 132.7 | 67% | 0.673 | 72% | 0.723 | S | S | * | * | trans | 22.1 | 110.1 | 133.7 | -168.3 | 0 | 0 | 0 | 0 | 115.4 | S1305 | S1305-V1307 PolarHBondContact O-N 2.95Š| ||
| 1308 | V | 26.4 | Very low | 27.2 | Very low | 121 Ų | 121 | 127.4 Ų | 127.4 | 73% | 0.733 | 71% | 0.714 | S | S | * | * | 179.4 | 129.9 | 118 | 151 | 0 | 0 | 0 | 0 | 106.3 | |||||
| 1309 | D | 28.6 | Very low | 27.2 | Very low | 101 Ų | 101 | 131 Ų | 131 | 54% | 0.54 | 73% | 0.727 | S | S | . | * | cis | -177 | 165.9 | -17 | -102.7 | -16.9 | 0 | 0 | 0 | 105.9 | ||||
| 1310 | Q | 29.4 | Very low | 27 | Very low | 155 Ų | 155 | 131 Ų | 131 | 72% | 0.724 | 73% | 0.727 | S | S | * | * | cis | -151.4 | 177.2 | -15.6 | -133.4 | 158.4 | 51.8 | 0 | 0 | 109.5 | ||||
| 1311 | S | 23.6 | Very low | 26.8 | Very low | 92 Ų | 92 | 131.7 Ų | 131.7 | 64% | 0.643 | 73% | 0.731 | S | S | * | * | trans | -54.5 | 160.8 | 172.5 | 52.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1312 | T | 26.1 | Very low | 26.8 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 73% | 0.73 | 73% | 0.734 | S | S | * | * | trans | 101.1 | 99 | 156 | 69.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1313 | N | 26.5 | Very low | 26.7 | Very low | 145 Ų | 145 | 130.9 Ų | 130.9 | 78% | 0.775 | 74% | 0.739 | S | S | * | * | 39.3 | 114.1 | 125.2 | -54.1 | -13.4 | 0 | 0 | 0 | 119.8 | |||||
| 1314 | I | 28 | Very low | 26.5 | Very low | 171 Ų | 171 | 129.1 Ų | 129.1 | 88% | 0.877 | 74% | 0.738 | S | S | * | * | -173.1 | 152.5 | 100.8 | -88.5 | 151.6 | 0 | 0 | 0 | 109.2 | |||||
| 1315 | N | 29.3 | Very low | 26.5 | Very low | 148 Ų | 148 | 125.4 Ų | 125.4 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | trans | -67.5 | 145.3 | -156.2 | -52.3 | -14.8 | 0 | 0 | 0 | 118.2 | ||||
| 1316 | N | 31.5 | Very low | 25.9 | Very low | 147 Ų | 147 | 127.4 Ų | 127.4 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | trans | 66.9 | 135.8 | 153.8 | -73 | 32.4 | 0 | 0 | 0 | 123.5 | ||||
| 1317 | D | 28.9 | Very low | 25.7 | Very low | 123 Ų | 123 | 128.2 Ų | 128.2 | 66% | 0.658 | 75% | 0.746 | S | S | * | * | trans | 69.6 | 117.3 | 153.4 | -70.1 | -4.1 | 0 | 0 | 0 | 124.6 | ||||
| 1318 | S | 27.6 | Very low | 25.8 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | 111.3 | 151 | 127.8 | 78.4 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 1319 | M | 23.7 | Very low | 25.7 | Very low | 163 Ų | 163 | 130.3 Ų | 130.3 | 80% | 0.803 | 74% | 0.744 | S | S | * | * | trans | 81.5 | 104.6 | 155.3 | -72.6 | -62.9 | -133.5 | 0 | 0 | 124.3 | ||||
| 1320 | S | 24.1 | Very low | 25.5 | Very low | 100 Ų | 100 | 134.9 Ų | 134.9 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | 73.2 | 165.9 | 118 | 87.7 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 1321 | C | 23.1 | Very low | 25.3 | Very low | 107 Ų | 107 | 134.9 Ų | 134.9 | 72% | 0.723 | 76% | 0.757 | S | S | * | * | cis | -158 | 152 | -8.6 | -131.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 1322 | V | 23 | Very low | 25.7 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | 13.5 | 144.6 | 125.1 | -162.1 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 1323 | V | 23.3 | Very low | 25.5 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 78% | 0.782 | 76% | 0.761 | S | S | * | * | -161.3 | 162.2 | 57.8 | -150.2 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1324 | S | 23.7 | Very low | 25.3 | Very low | 106 Ų | 106 | 136.8 Ų | 136.8 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | trans | -107.1 | 135.8 | 154.7 | 58.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1325 | T | 23.1 | Very low | 25 | Very low | 144 Ų | 144 | 135.5 Ų | 135.5 | 88% | 0.883 | 75% | 0.745 | S | S | * | * | trans | -144.7 | 155.8 | 147.8 | 15.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1326 | V | 25.7 | Very low | 24.7 | Very low | 138 Ų | 138 | 136.9 Ų | 136.9 | 84% | 0.836 | 75% | 0.746 | S | S | * | * | trans | -96.2 | 144.2 | -166.2 | 179.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1327 | D | 22 | Very low | 24.4 | Very low | 140 Ų | 140 | 137.6 Ų | 137.6 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | trans | -149.7 | 176.9 | 141.2 | -135.5 | -38.7 | 0 | 0 | 0 | 112.4 | ||||
| 1328 | N | 23.8 | Very low | 24 | Very low | 131 Ų | 131 | 139.8 Ų | 139.8 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | trans | -74.8 | 160.4 | -146.2 | -93.2 | -82.9 | 0 | 0 | 0 | 119.8 | ||||
| 1329 | H | 25.3 | Very low | 23.8 | Very low | 144 Ų | 144 | 140.4 Ų | 140.4 | 67% | 0.667 | 74% | 0.744 | S | S | * | * | trans | 11.9 | 143.4 | 140.4 | -85.9 | 3.9 | 0 | 0 | 0 | 121 | ||||
| 1330 | R | 24.5 | Very low | 23.7 | Very low | 198 Ų | 198 | 140 Ų | 140 | 75% | 0.747 | 74% | 0.74 | S | S | * | * | cis | -176.8 | 176 | -1.8 | -155.3 | 176.3 | -174.8 | 166.4 | 1 | 109.9 | ||||
| 1331 | I | 23.5 | Very low | 23.6 | Very low | 154 Ų | 154 | 142.1 Ų | 142.1 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | trans | 68.2 | 171.4 | 164.1 | 2.7 | -178.8 | 0 | 0 | 0 | 115.9 | ||||
| 1332 | P | 33.4 | Very low | 23.6 | Very low | 109 Ų | 109 | 143.8 Ų | 143.8 | 71% | 0.708 | 74% | 0.74 | S | S | * | * | -133.6 | -171 | -113.5 | 46.8 | -29.2 | 0 | 0 | 0 | 117.1 | |||||
| 1333 | M | 21.2 | Very low | 23.7 | Very low | 152 Ų | 152 | 143 Ų | 143 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | trans | 83.3 | 124.6 | 164 | -76 | -174.1 | 68.1 | 0 | 0 | 120 | ||||
| 1334 | E | 21.8 | Very low | 23.7 | Very low | 135 Ų | 135 | 144.7 Ų | 144.7 | 63% | 0.631 | 74% | 0.735 | S | S | * | * | trans | 57.4 | 114.6 | 139.3 | -59.4 | -152 | 104.1 | 0 | 0 | 123 | ||||
| 1335 | Q | 23.5 | Very low | 23.8 | Very low | 145 Ų | 145 | 143.9 Ų | 143.9 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | trans | 58.7 | 109.8 | 131.6 | -54.5 | -177.3 | 41.2 | 0 | 0 | 119.7 | ||||
| 1336 | H | 23 | Very low | 24.1 | Very low | 176 Ų | 176 | 144.6 Ų | 144.6 | 82% | 0.815 | 72% | 0.721 | S | S | * | * | -161.8 | 167.9 | 109.5 | -111.6 | 66.1 | 0 | 0 | 0 | 114.1 | |||||
| 1337 | Q | 23.3 | Very low | 24.2 | Very low | 162 Ų | 162 | 146.6 Ų | 146.6 | 76% | 0.757 | 72% | 0.721 | S | S | * | * | trans | -87.2 | 151.1 | 173.2 | -53.3 | 159.2 | -72.6 | 0 | 0 | 110.4 | ||||
| 1338 | Q | 21.4 | Very low | 24.5 | Very low | 169 Ų | 169 | 144 Ų | 144 | 79% | 0.79 | 72% | 0.719 | S | S | * | * | 162.6 | 147.6 | 124.1 | -90.7 | 176.3 | 5.5 | 0 | 0 | 114.4 | |||||
| 1339 | I | 23.3 | Very low | 24.4 | Very low | 127 Ų | 127 | 145.2 Ų | 145.2 | 65% | 0.651 | 73% | 0.725 | S | S | * | * | trans | 51.4 | 104.8 | 138.7 | -57.6 | 168.1 | 0 | 0 | 0 | 118.7 | ||||
| 1340 | Q | 21.5 | Very low | 24.4 | Very low | 155 Ų | 155 | 143.7 Ų | 143.7 | 72% | 0.724 | 73% | 0.73 | S | S | * | * | 45.7 | 156.4 | 104.2 | -136.5 | 178.2 | -27.4 | 0 | 0 | 121.4 | |||||
| 1341 | E | 21.8 | Very low | 24.4 | Very low | 144 Ų | 144 | 139.9 Ų | 139.9 | 67% | 0.673 | 73% | 0.729 | S | S | * | * | trans | 80.3 | 101.3 | 158.4 | -58.1 | -161.8 | 144.8 | 0 | 0 | 120.9 | ||||
| 1342 | L | 23 | Very low | 24.5 | Very low | 141 Ų | 141 | 140.3 Ų | 140.3 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | 70.6 | 152.3 | 113.3 | -71.7 | 168.5 | 0 | 0 | 0 | 123.5 | |||||
| 1343 | T | 25.3 | Very low | 24.1 | Very low | 104 Ų | 104 | 137.9 Ų | 137.9 | 64% | 0.638 | 73% | 0.726 | S | S | * | * | trans | 80.2 | 98.9 | 143.3 | 43.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 1344 | E | 24.1 | Very low | 24.3 | Very low | 165 Ų | 165 | 136 Ų | 136 | 77% | 0.771 | 73% | 0.728 | S | S | * | * | 92.2 | 113.5 | 108.9 | -75.9 | -171.7 | -173.7 | 0 | 0 | 123.1 | |||||
| 1345 | C | 25.8 | Very low | 24.4 | Very low | 88 Ų | 88 | 132.4 Ų | 132.4 | 60% | 0.595 | 73% | 0.727 | S | S | * | * | 91.1 | 152.6 | 113.8 | -71.7 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 1346 | H | 28 | Very low | 24.3 | Very low | 159 Ų | 159 | 133.4 Ų | 133.4 | 74% | 0.736 | 74% | 0.737 | S | S | * | * | cis | -157.5 | 175.5 | 3.9 | -130.7 | -9.7 | 0 | 0 | 0 | 116.5 | ||||
| 1347 | Q | 28.4 | Very low | 24.4 | Very low | 180 Ų | 180 | 132 Ų | 132 | 84% | 0.841 | 74% | 0.735 | S | S | * | * | trans | 71.8 | 139.8 | 166 | -67.1 | 168.7 | 18.1 | 0 | 0 | 117.3 | ||||
| 1348 | A | 27.8 | Very low | 24.4 | Very low | 85 Ų | 85 | 129.4 Ų | 129.4 | 70% | 0.702 | 73% | 0.731 | S | S | * | * | cis | -174.2 | 158.5 | -10.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 1349 | L | 23 | Very low | 24.5 | Very low | 157 Ų | 157 | 128.5 Ų | 128.5 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | cis | -167.3 | 173.1 | -13.9 | -113.3 | 173.1 | 0 | 0 | 0 | 110.4 | ||||
| 1350 | S | 25.4 | Very low | 24.5 | Very low | 112 Ų | 112 | 126.8 Ų | 126.8 | 78% | 0.783 | 73% | 0.729 | S | S | * | * | trans | 74.8 | 152.6 | 162.4 | 74 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1351 | V | 25 | Very low | 24.7 | Very low | 118 Ų | 118 | 126.7 Ų | 126.7 | 72% | 0.715 | 73% | 0.728 | S | S | * | * | cis | -179.7 | 148.1 | -50 | 138.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1352 | I | 25.5 | Very low | 24.8 | Very low | 163 Ų | 163 | 127 Ų | 127 | 84% | 0.836 | 73% | 0.729 | S | S | * | * | trans | 71.1 | 141.4 | -179.3 | -59.2 | 150.1 | 0 | 0 | 0 | 114.8 | ||||
| 1353 | G | 24.9 | Very low | 24.8 | Very low | 58 Ų | 58 | 125.6 Ų | 125.6 | 60% | 0.598 | 73% | 0.731 | S | S | * | * | cis | 149.1 | 145.5 | -11.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1354 | S | 24.1 | Very low | 24.7 | Very low | 114 Ų | 114 | 126 Ų | 126 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | trans | 55.9 | 140.2 | 162.9 | 64.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1355 | G | 24 | Very low | 24.6 | Very low | 58 Ų | 58 | 125 Ų | 125 | 60% | 0.598 | 73% | 0.733 | S | S | * | * | 116.6 | 112.7 | 124.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 1356 | D | 22.8 | Very low | 24.5 | Very low | 166 Ų | 166 | 125.4 Ų | 125.4 | 89% | 0.888 | 74% | 0.737 | S | S | * | * | trans | 64.4 | 148.6 | 137.6 | -62 | -28.1 | 0 | 0 | 0 | 124 | ||||
| 1357 | D | 24.2 | Very low | 24.3 | Very low | 146 Ų | 146 | 127.9 Ų | 127.9 | 78% | 0.781 | 75% | 0.746 | S | S | * | * | trans | 85.5 | 132.1 | 146.6 | -110.7 | -32.2 | 0 | 0 | 0 | 124.6 | ||||
| 1358 | T | 23.3 | Very low | 24.1 | Very low | 109 Ų | 109 | 127.1 Ų | 127.1 | 67% | 0.669 | 74% | 0.742 | S | S | * | * | trans | -56.7 | 140.5 | 172.9 | 56.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 1359 | L | 24.1 | Very low | 24 | Very low | 150 Ų | 150 | 129.3 Ų | 129.3 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | -170.9 | 145.7 | 120.4 | -125.1 | 75.4 | 0 | 0 | 0 | 115.3 | |||||
| 1360 | C | 23.5 | Very low | 24.1 | Very low | 90 Ų | 90 | 128.4 Ų | 128.4 | 61% | 0.608 | 73% | 0.733 | S | S | * | * | trans | 46.1 | 127.6 | 139.3 | -80 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 1361 | H | 24.5 | Very low | 24 | Very low | 154 Ų | 154 | 128.8 Ų | 128.8 | 71% | 0.713 | 73% | 0.73 | S | S | * | * | trans | 78.3 | 107.9 | 136.6 | -65 | -48.2 | 0 | 0 | 0 | 122.2 | ||||
| 1362 | H | 24.5 | Very low | 23.8 | Very low | 151 Ų | 151 | 127.9 Ų | 127.9 | 70% | 0.699 | 73% | 0.73 | S | S | * | * | trans | 49.4 | 87.3 | 130.4 | -63.6 | -57.6 | 0 | 0 | 0 | 120.2 | S1364 | H1362-S1364 PolarHBondContact O-N 3.33Š| ||
| 1363 | S | 22.7 | Very low | 23.8 | Very low | 111 Ų | 111 | 125.1 Ų | 125.1 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | 34.1 | 67.2 | 106.9 | 68.6 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 1364 | S | 23.2 | Very low | 23.7 | Very low | 111 Ų | 111 | 127.4 Ų | 127.4 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | trans | -169.6 | 53.2 | 147.8 | 44.3 | 0 | 0 | 0 | 0 | 114.2 | H1362 | H1362-S1364 PolarHBondContact O-N 3.33Š| ||
| 1365 | Q | 22.4 | Very low | 23.9 | Very low | 146 Ų | 146 | 127.1 Ų | 127.1 | 68% | 0.682 | 73% | 0.728 | S | S | * | * | trans | -119.2 | 125.1 | 143.4 | -69.3 | -165.5 | 13.5 | 0 | 0 | 105.7 | ||||
| 1366 | S | 23.2 | Very low | 24 | Very low | 96 Ų | 96 | 130.6 Ų | 130.6 | 67% | 0.671 | 73% | 0.733 | S | S | * | * | 56.5 | 136.9 | 62.4 | 80.6 | 0 | 0 | 0 | 0 | 111.5 | E1368 | S1366-E1368 PolarHBondContact O-N 3.25Š| |||
| 1367 | K | 24.4 | Very low | 24.2 | Very low | 211 Ų | 211 | 127.9 Ų | 127.9 | 92% | 0.917 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -49 | 135.6 | 174.7 | -81.9 | -176.1 | 173.3 | -179 | 0 | 109.7 | ||
| 1368 | E | 23.1 | Very low | 24.3 | Very low | 164 Ų | 164 | 128 Ų | 128 | 77% | 0.766 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -58.8 | 144.3 | -165.5 | -81.9 | -175.9 | 142.1 | 0 | 0 | 114 | S1366 | S1366-E1368 PolarHBondContact O-N 3.25Š|
| 1369 | H | 26.5 | Very low | 24.3 | Very low | 131 Ų | 131 | 127.1 Ų | 127.1 | 61% | 0.606 | 72% | 0.72 | S | S | * | * | trans | 60.4 | 97.9 | 150.2 | -76.5 | -68.7 | 0 | 0 | 0 | 119.9 | ||||
| 1370 | L | 25.3 | Very low | 24.3 | Very low | 137 Ų | 137 | 127.9 Ų | 127.9 | 72% | 0.717 | 72% | 0.72 | S | S | * | * | 106.8 | 95.5 | 122.3 | -65.6 | 166.3 | 0 | 0 | 0 | 119 | |||||
| 1371 | T | 22.5 | Very low | 24.3 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 74% | 0.736 | 73% | 0.727 | S | S | * | * | 84.6 | 131 | 128.6 | 52.8 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 1372 | S | 22 | Very low | 24.3 | Very low | 100 Ų | 100 | 131.5 Ų | 131.5 | 70% | 0.699 | 73% | 0.729 | S | S | * | * | trans | 57.7 | 110.3 | 156.1 | 56.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1373 | C | 23.9 | Very low | 24.6 | Very low | 105 Ų | 105 | 129.4 Ų | 129.4 | 71% | 0.709 | 73% | 0.728 | S | S | * | * | trans | -148 | 82.8 | 132.3 | -96.3 | 0 | 0 | 0 | 0 | 109.6 | S1375 | C1373-S1375 PolarHBondContact O-N 2.77Š| ||
| 1374 | S | 23.3 | Very low | 24.6 | Very low | 105 Ų | 105 | 129 Ų | 129 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -68 | 114.2 | 143.4 | 49.2 | 0 | 0 | 0 | 0 | 106.5 | ||
| 1375 | S | 29.5 | Very low | 24.7 | Very low | 108 Ų | 108 | 127.8 Ų | 127.8 | 76% | 0.755 | 72% | 0.717 | S | S | * | * | S | Bend | trans | 26.5 | 103.2 | 169.9 | 57.8 | 0 | 0 | 0 | 0 | 116.7 | C1373 | C1373-S1375 PolarHBondContact O-N 2.77Š|
| 1376 | N | 25.9 | Very low | 24.7 | Very low | 131 Ų | 131 | 127.1 Ų | 127.1 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 84 | 127.3 | 178.5 | -51.1 | -21.7 | 0 | 0 | 0 | 115.7 | ||
| 1377 | T | 26.7 | Very low | 24.7 | Very low | 110 Ų | 110 | 128.7 Ų | 128.7 | 68% | 0.675 | 73% | 0.728 | S | S | * | * | S | Bend | 17.7 | 125.3 | 119.6 | -0.9 | 0 | 0 | 0 | 0 | 117.4 | |||
| 1378 | I | 25.5 | Very low | 24.7 | Very low | 148 Ų | 148 | 124.7 Ų | 124.7 | 76% | 0.759 | 72% | 0.717 | S | S | * | * | trans | 88.2 | 77.6 | 157.7 | -49.1 | 159.4 | 0 | 0 | 0 | 116.8 | ||||
| 1379 | S | 24.3 | Very low | 24.8 | Very low | 91 Ų | 91 | 122.1 Ų | 122.1 | 64% | 0.636 | 71% | 0.708 | S | S | * | * | 62.5 | 140.8 | 125.8 | 79.5 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 1380 | Q | 24 | Very low | 24.8 | Very low | 166 Ų | 166 | 123 Ų | 123 | 78% | 0.776 | 71% | 0.712 | S | S | * | * | trans | 89.6 | 143.9 | 154 | -53.6 | -168.8 | 1.8 | 0 | 0 | 121.2 | ||||
| 1381 | F | 22.5 | Very low | 24.7 | Very low | 173 Ų | 173 | 120.5 Ų | 120.5 | 76% | 0.759 | 70% | 0.697 | S | S | * | * | trans | 71.7 | 104.4 | 163.2 | -74.7 | -74.9 | 0 | 0 | 0 | 123.7 | ||||
| 1382 | I | 25.2 | Very low | 24.7 | Very low | 147 Ų | 147 | 118 Ų | 118 | 75% | 0.754 | 68% | 0.682 | S | S | * | * | trans | -24.9 | 158.2 | 135.7 | 13.7 | 170.4 | 0 | 0 | 0 | 116.2 | ||||
| 1383 | P | 30.5 | Very low | 24.7 | Very low | 106 Ų | 106 | 116.4 Ų | 116.4 | 69% | 0.688 | 67% | 0.671 | S | S | * | * | -137.8 | -156.1 | -55.6 | 38 | -17.1 | 0 | 0 | 0 | 112.4 | |||||
| 1384 | S | 23.3 | Very low | 24.7 | Very low | 102 Ų | 102 | 117.1 Ų | 117.1 | 71% | 0.713 | 68% | 0.677 | S | S | * | * | trans | 88.2 | 155.4 | 148.6 | 76.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1385 | S | 24 | Very low | 24.7 | Very low | 86 Ų | 86 | 119.6 Ų | 119.6 | 60% | 0.601 | 68% | 0.681 | S | S | * | * | trans | 51.8 | 106.4 | 162.9 | 54.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1386 | S | 22.9 | Very low | 24.3 | Very low | 133 Ų | 133 | 118.7 Ų | 118.7 | 93% | 0.93 | 68% | 0.675 | S | S | * | * | trans | -89.9 | 60 | 134.2 | 65.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1387 | I | 23.8 | Very low | 24.3 | Very low | 129 Ų | 129 | 119.5 Ų | 119.5 | 66% | 0.662 | 68% | 0.679 | S | S | * | * | trans | -96.3 | 135.7 | 162.7 | -77.9 | 178.4 | 0 | 0 | 0 | 105.7 | ||||
| 1388 | N | 24.9 | Very low | 24.1 | Very low | 127 Ų | 127 | 119.3 Ų | 119.3 | 68% | 0.679 | 68% | 0.677 | S | S | * | * | trans | 66.4 | 137.8 | 175.9 | -71.4 | 41.5 | 0 | 0 | 0 | 115.8 | ||||
| 1389 | D | 25.1 | Very low | 23.9 | Very low | 109 Ų | 109 | 119.1 Ų | 119.1 | 58% | 0.583 | 67% | 0.673 | S | S | * | * | cis | -143.3 | 140.6 | -2.1 | -105 | -30.7 | 0 | 0 | 0 | 115.4 | ||||
| 1390 | H | 24.8 | Very low | 23.9 | Very low | 150 Ų | 150 | 123 Ų | 123 | 69% | 0.694 | 68% | 0.682 | S | S | * | * | trans | 54.3 | 116.7 | 144.6 | -73.4 | -50.7 | 0 | 0 | 0 | 120.9 | ||||
| 1391 | Q | 23.3 | Very low | 23.8 | Very low | 85 Ų | 85 | 120.2 Ų | 120.2 | 40% | 0.397 | 68% | 0.68 | S | S | . | * | trans | 146.1 | 83.6 | 142.6 | -25 | 175.9 | -26.6 | 0 | 0 | 114.9 | N2098 D2099 S2100 | Q1391-N2098 WeakPolarHBondContact CB-ND2 3.42Å; Q1391-D2099 HydrophobicContact CB-CB 3.68Å; Q1391-D2099 HydrophobicContact CG-CB 3.62Å; Q1391-D2099 WeakPolarHBondContact CG-OD2 3.39Å; Q1391-D2099 PolarHBondContact NE2-O 2.73Å; Q1391-S2100 PolarHBondContact NE2-OG 3.39Å | ||
| 1392 | T | 22.8 | Very low | 23.8 | Very low | 68 Ų | 68 | 119.3 Ų | 119.3 | 42% | 0.417 | 68% | 0.683 | S | S | . | * | trans | -75 | -175 | 172.9 | 92.1 | 0 | 0 | 0 | 0 | 112 | N2098 D2099 | T1392-N2098 CarbonylContact O-C 3.59Å; T1392-N2098 PolarHBondContact O-N 3.11Å; T1392-N2098 PolarHBondContact O-OD1 3.27Å; T1392-D2099 VanDerWaalsContact CG2-OD2 3.28Å; T1392-D2099 WeakPolarHBondContact CG2-OD2 3.5Å; T1392-D2099 PolarHBondContact N-OD2 3.04Å; T1392-D2099 PolarHBondContact OG1-OD1 2.92Å; T1392-D2099 PolarHBondContact OG1-OD2 3.49Å | ||
| 1393 | S | 22.2 | Very low | 24.3 | Very low | 66 Ų | 66 | 117 Ų | 117 | 46% | 0.462 | 68% | 0.677 | S | S | . | * | cis | -159.4 | 159.9 | 30.7 | -142.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1394 | S | 23.3 | Very low | 23.9 | Very low | 119 Ų | 119 | 117.6 Ų | 117.6 | 83% | 0.832 | 68% | 0.68 | S | S | * | * | trans | -85.8 | 103 | 146.3 | 59 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1395 | L | 23.3 | Very low | 24 | Very low | 158 Ų | 158 | 118.8 Ų | 118.8 | 83% | 0.827 | 68% | 0.683 | S | S | * | * | trans | -124 | 136.9 | 160.6 | -110.5 | 171.7 | 0 | 0 | 0 | 110 | ||||
| 1396 | S | 22.2 | Very low | 24 | Very low | 89 Ų | 89 | 121.3 Ų | 121.3 | 62% | 0.622 | 69% | 0.694 | S | S | * | * | trans | -80.4 | 154.6 | -172.6 | 52.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1397 | N | 25.3 | Very low | 24.1 | Very low | 147 Ų | 147 | 122.8 Ų | 122.8 | 79% | 0.786 | 69% | 0.69 | S | S | * | * | trans | 175.6 | 138.2 | 137.2 | -91.2 | -0.3 | 0 | 0 | 0 | 108.9 | ||||
| 1398 | V | 22.9 | Very low | 24.1 | Very low | 106 Ų | 106 | 119.5 Ų | 119.5 | 64% | 0.642 | 69% | 0.688 | S | S | * | * | cis | 64.8 | 108.4 | 15.2 | -167.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1399 | E | 21.1 | Very low | 24.1 | Very low | 145 Ų | 145 | 119.8 Ų | 119.8 | 68% | 0.678 | 69% | 0.689 | S | S | * | * | cis | -151.5 | -158.5 | 26 | -146.1 | 152.3 | -138.3 | 0 | 0 | 113.6 | ||||
| 1400 | Q | 23.8 | Very low | 24.1 | Very low | 173 Ų | 173 | 120.4 Ų | 120.4 | 81% | 0.808 | 69% | 0.693 | S | S | * | * | trans | -81.9 | -173.3 | -165.5 | -59.5 | 166.4 | -37 | 0 | 0 | 115.2 | ||||
| 1401 | S | 21.5 | Very low | 24.1 | Very low | 107 Ų | 107 | 119.6 Ų | 119.6 | 75% | 0.748 | 69% | 0.693 | S | S | * | * | trans | 90.8 | 123.5 | 163.6 | 70.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1402 | D | 24.1 | Very low | 24.3 | Very low | 153 Ų | 153 | 120.5 Ų | 120.5 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | cis | 90.7 | 155.2 | 38.2 | -87.8 | -42.9 | 0 | 0 | 0 | 114 | ||||
| 1403 | P | 35.7 | Very low | 24.6 | Very low | 98 Ų | 98 | 124.2 Ų | 124.2 | 64% | 0.636 | 72% | 0.718 | S | S | * | * | cis | -135.1 | -161 | -3 | 30.3 | -6.9 | 0 | 0 | 0 | 114.4 | ||||
| 1404 | T | 22.5 | Very low | 24.9 | Very low | 120 Ų | 120 | 125.3 Ų | 125.3 | 74% | 0.736 | 72% | 0.722 | S | S | * | * | trans | 83.5 | 108.4 | 146.4 | 39.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1405 | T | 24.9 | Very low | 25.2 | Very low | 126 Ų | 126 | 129.1 Ų | 129.1 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | trans | -15.3 | 136.4 | 132.9 | 50.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1406 | V | 23.8 | Very low | 25.3 | Very low | 139 Ų | 139 | 127.3 Ų | 127.3 | 84% | 0.842 | 72% | 0.715 | S | S | * | * | -168.7 | 159.7 | 108.3 | 141.4 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 1407 | I | 24.2 | Very low | 25.6 | Very low | 164 Ų | 164 | 128.6 Ų | 128.6 | 84% | 0.841 | 72% | 0.719 | S | S | * | * | trans | -97.9 | 140.3 | -176.1 | -65.5 | 164.1 | 0 | 0 | 0 | 111.2 | ||||
| 1408 | G | 24.1 | Very low | 25.5 | Very low | 60 Ų | 60 | 131.1 Ų | 131.1 | 62% | 0.619 | 72% | 0.717 | S | S | * | * | trans | 84.8 | 159.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1409 | N | 24.3 | Very low | 25.5 | Very low | 133 Ų | 133 | 133.1 Ų | 133.1 | 71% | 0.711 | 72% | 0.719 | S | S | * | * | cis | -158.7 | 164.9 | -5.1 | -133 | 46.3 | 0 | 0 | 0 | 110.9 | ||||
| 1410 | D | 25.2 | Very low | 25.7 | Very low | 123 Ų | 123 | 131 Ų | 131 | 66% | 0.658 | 71% | 0.713 | S | S | * | * | trans | 64.3 | 102.3 | 154.9 | -50.5 | -33.6 | 0 | 0 | 0 | 121 | ||||
| 1411 | D | 25.5 | Very low | 25.7 | Very low | 132 Ų | 132 | 129.6 Ų | 129.6 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | 101.4 | 117.8 | 113 | -83.4 | 9.9 | 0 | 0 | 0 | 124.7 | |||||
| 1412 | N | 27.5 | Very low | 26.2 | Very low | 105 Ų | 105 | 130.3 Ų | 130.3 | 56% | 0.561 | 72% | 0.718 | S | S | * | * | trans | 64.3 | 123 | 132.6 | -62.1 | -41.5 | 0 | 0 | 0 | 119.8 | ||||
| 1413 | N | 29.1 | Very low | 26.4 | Very low | 145 Ų | 145 | 128.1 Ų | 128.1 | 78% | 0.775 | 72% | 0.715 | S | S | * | * | cis | -147.3 | 134.9 | 38.5 | -84 | -86.4 | 0 | 0 | 0 | 111.2 | ||||
| 1414 | V | 27.8 | Very low | 26.4 | Very low | 89 Ų | 89 | 133 Ų | 133 | 54% | 0.539 | 73% | 0.726 | S | S | . | * | 80.9 | 108.4 | 60.6 | 171.9 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1415 | K | 30.7 | Very low | 26.5 | Very low | 199 Ų | 199 | 136.9 Ų | 136.9 | 87% | 0.865 | 74% | 0.736 | S | S | * | * | -178.7 | 134.4 | 129.8 | -99.3 | 166.6 | -175.4 | 175.8 | 0 | 110.7 | |||||
| 1416 | N | 25.9 | Very low | 26.5 | Very low | 121 Ų | 121 | 134 Ų | 134 | 65% | 0.647 | 73% | 0.732 | S | S | * | * | cis | -166 | 156.5 | -24.2 | -130.2 | 5.8 | 0 | 0 | 0 | 110.7 | ||||
| 1417 | V | 27.8 | Very low | 26.6 | Very low | 116 Ų | 116 | 134.2 Ų | 134.2 | 70% | 0.703 | 73% | 0.728 | S | S | * | * | trans | 56.9 | 104.9 | 151 | 179 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1418 | R | 22.1 | Very low | 26.5 | Very low | 200 Ų | 200 | 134 Ų | 134 | 76% | 0.755 | 72% | 0.723 | S | S | * | * | cis | 73.8 | 123.5 | 45.7 | -159.9 | -155.9 | 179 | 139.3 | -0.4 | 112.7 | ||||
| 1419 | E | 24.1 | Very low | 26.6 | Very low | 147 Ų | 147 | 137.6 Ų | 137.6 | 69% | 0.687 | 73% | 0.727 | S | S | * | * | 176 | 131.6 | 109 | -88 | -156.2 | 161.7 | 0 | 0 | 115.6 | |||||
| 1420 | N | 24.3 | Very low | 27.1 | Very low | 102 Ų | 102 | 137.7 Ų | 137.7 | 55% | 0.545 | 73% | 0.727 | S | S | . | * | trans | 41.1 | 134.1 | 131 | -42.5 | -23.4 | 0 | 0 | 0 | 121 | ||||
| 1421 | T | 24.3 | Very low | 27.6 | Very low | 142 Ų | 142 | 136 Ų | 136 | 87% | 0.871 | 73% | 0.731 | S | S | * | * | -166.8 | 163.3 | 109.2 | 17.1 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1422 | P | 31.4 | Very low | 28.3 | Very low | 122 Ų | 122 | 135 Ų | 135 | 79% | 0.792 | 73% | 0.731 | S | S | * | * | trans | -96.4 | -154.5 | -167.5 | 40.3 | -37.4 | 0 | 0 | 0 | 114.2 | ||||
| 1423 | S | 29.3 | Very low | 28.4 | Very low | 107 Ų | 107 | 136.7 Ų | 136.7 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | trans | -74.1 | 133 | -160.5 | 56.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1424 | K | 35 | Very low | 28.4 | Very low | 202 Ų | 202 | 136.1 Ų | 136.1 | 88% | 0.878 | 74% | 0.742 | S | S | * | * | trans | 66.5 | 153.2 | 145.6 | -92 | -170.9 | 174.4 | -175 | 0 | 121.1 | ||||
| 1425 | E | 24.4 | Very low | 28.5 | Very low | 200 Ų | 200 | 136.4 Ų | 136.4 | 94% | 0.935 | 75% | 0.754 | S | S | * | * | trans | 65.3 | 150.4 | 178.6 | -64.5 | -170.1 | 171 | 0 | 0 | 116.6 | ||||
| 1426 | G | 25.5 | Very low | 28.4 | Very low | 67 Ų | 67 | 137.1 Ų | 137.1 | 69% | 0.691 | 76% | 0.757 | S | S | * | * | trans | 120.1 | 68.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1427 | N | 25.1 | Very low | 28.4 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | trans | 54.1 | 105.8 | 135.7 | -65.4 | -2 | 0 | 0 | 0 | 122.3 | ||||
| 1428 | H | 23.6 | Very low | 28.3 | Very low | 159 Ų | 159 | 136.8 Ų | 136.8 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | 79.3 | 145 | 111.1 | -80.5 | -59.6 | 0 | 0 | 0 | 124.3 | |||||
| 1429 | I | 26.6 | Very low | 28.7 | Very low | 136 Ų | 136 | 132.4 Ų | 132.4 | 70% | 0.697 | 77% | 0.77 | S | S | * | * | trans | 75.2 | 130 | 141 | -74.3 | 162.4 | 0 | 0 | 0 | 117.3 | ||||
| 1430 | N | 33 | Very low | 28.8 | Very low | 134 Ų | 134 | 129.7 Ų | 129.7 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | cis | -155.7 | 133.5 | -13.7 | -99.1 | -10.9 | 0 | 0 | 0 | 106.6 | ||||
| 1431 | A | 35.8 | Very low | 28.9 | Very low | 89 Ų | 89 | 130.6 Ų | 130.6 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | 65.1 | 138.7 | 86.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1432 | P | 41 | Very low | 28.8 | Very low | 110 Ų | 110 | 128.8 Ų | 128.8 | 71% | 0.714 | 79% | 0.786 | S | S | * | * | cis | -126 | -176.7 | 14 | 42.8 | -27.9 | 0 | 0 | 0 | 117 | ||||
| 1433 | D | 29.1 | Very low | 28.4 | Very low | 140 Ų | 140 | 130.1 Ų | 130.1 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | trans | 78.5 | 117.9 | 157.3 | -58.4 | -23.2 | 0 | 0 | 0 | 124.9 | ||||
| 1434 | T | 30.5 | Very low | 28.6 | Very low | 133 Ų | 133 | 131.1 Ų | 131.1 | 82% | 0.816 | 79% | 0.787 | S | S | * | * | trans | 58.6 | 118 | 149 | 53.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1435 | A | 28.8 | Very low | 28.1 | Very low | 95 Ų | 95 | 128.7 Ų | 128.7 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | 156 | 127.7 | 112.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 1436 | K | 28.6 | Very low | 28.4 | Very low | 215 Ų | 215 | 125.7 Ų | 125.7 | 94% | 0.935 | 77% | 0.773 | S | S | * | * | trans | 53.9 | 121.8 | 158.4 | -63.4 | -175.9 | 178.4 | -179.5 | 0 | 120.5 | ||||
| 1437 | S | 25.8 | Very low | 29 | Very low | 128 Ų | 128 | 129 Ų | 129 | 90% | 0.895 | 78% | 0.775 | S | S | * | * | trans | -148.2 | -178.4 | 167.5 | 65.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1438 | S | 26.7 | Very low | 30.6 | Very low | 101 Ų | 101 | 130.5 Ų | 130.5 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | -124 | 163.6 | -171.4 | 58.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1439 | S | 29 | Very low | 31.4 | Very low | 109 Ų | 109 | 130.6 Ų | 130.6 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | 66 | 135.4 | 154.4 | 55.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1440 | A | 27.2 | Very low | 32.1 | Very low | 89 Ų | 89 | 130.9 Ų | 130.9 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | 71.2 | 94.8 | 152.6 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1441 | S | 26.5 | Very low | 32.1 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | 43 | 117 | 132 | 60.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1442 | A | 22.7 | Very low | 31.6 | Very low | 104 Ų | 104 | 132.2 Ų | 132.2 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | -164.3 | 164.6 | 127.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1443 | D | 22.8 | Very low | 30.8 | Very low | 151 Ų | 151 | 131.8 Ų | 131.8 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | trans | -66.4 | 138.9 | -162 | -62.1 | -53.4 | 0 | 0 | 0 | 120.4 | ||||
| 1444 | V | 32 | Very low | 31.1 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | trans | 46.8 | 143.4 | 133.4 | -156 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1445 | I | 25.7 | Very low | 31.6 | Very low | 152 Ų | 152 | 127.9 Ų | 127.9 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | trans | 112.5 | 91.7 | 158 | -52.1 | 178.6 | 0 | 0 | 0 | 117.7 | ||||
| 1446 | N | 29.8 | Very low | 31.6 | Very low | 136 Ų | 136 | 131.1 Ų | 131.1 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | 45.7 | 96 | 138.9 | -57.6 | 36.4 | 0 | 0 | 0 | 124.2 | ||||
| 1447 | D | 39.6 | Very low | 31.6 | Very low | 137 Ų | 137 | 124 Ų | 124 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | 66.9 | 145 | 115.6 | -59.1 | -46 | 0 | 0 | 0 | 128.4 | |||||
| 1448 | H | 57.5 | Low | 31.8 | Very low | 174 Ų | 174 | 123.8 Ų | 123.8 | 81% | 0.806 | 76% | 0.762 | S | S | * | * | trans | 88 | 130.8 | 155.6 | -62 | -48.3 | 0 | 0 | 0 | 123.3 | ||||
| 1449 | N | 40.4 | Very low | 31.9 | Very low | 161 Ų | 161 | 125.3 Ų | 125.3 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | trans | -167.3 | 161.7 | 143.2 | -113.4 | -67.2 | 0 | 0 | 0 | 115.8 | ||||
| 1450 | N | 42.2 | Very low | 31.6 | Very low | 143 Ų | 143 | 128 Ų | 128 | 77% | 0.765 | 77% | 0.767 | S | S | * | * | trans | -59.3 | 133.3 | -160.3 | -69.5 | -9.5 | 0 | 0 | 0 | 122.7 | ||||
| 1451 | D | 32.1 | Very low | 32 | Very low | 153 Ų | 153 | 127.4 Ų | 127.4 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | 72.2 | 157.5 | 112.6 | -143.9 | 1.2 | 0 | 0 | 0 | 123.6 | |||||
| 1452 | S | 25.9 | Very low | 32 | Very low | 97 Ų | 97 | 127.6 Ų | 127.6 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | trans | 78.7 | 86.4 | 174.4 | 69.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1453 | S | 24.2 | Very low | 32.1 | Very low | 102 Ų | 102 | 129.4 Ų | 129.4 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 64.1 | 132.6 | 152.3 | 65.3 | 0 | 0 | 0 | 0 | 119.6 | S1455 | S1453-S1455 WeakPolarHBondContact CA-OG 3.46Š|
| 1454 | S | 35 | Very low | 32.2 | Very low | 116 Ų | 116 | 129.2 Ų | 129.2 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | S | Bend | cis | -131.4 | 76.9 | -3 | 57.8 | 0 | 0 | 0 | 0 | 108.8 | ||
| 1455 | S | 40.9 | Very low | 31.9 | Very low | 75 Ų | 75 | 127.9 Ų | 127.9 | 52% | 0.524 | 74% | 0.74 | S | S | . | * | cis | 71.9 | 122.4 | 48.3 | 91.6 | 0 | 0 | 0 | 0 | 112.6 | S1453 | S1453-S1455 WeakPolarHBondContact CA-OG 3.46Š| ||
| 1456 | N | 29.2 | Very low | 31.8 | Very low | 163 Ų | 163 | 126.3 Ų | 126.3 | 87% | 0.872 | 74% | 0.741 | S | S | * | * | trans | 62.4 | 146.1 | -156.4 | -35.3 | -59.9 | 0 | 0 | 0 | 110.9 | ||||
| 1457 | G | 29.6 | Very low | 31.7 | Very low | 66 Ų | 66 | 123.2 Ų | 123.2 | 68% | 0.68 | 74% | 0.735 | S | S | * | * | cis | -167.5 | 164.4 | -11.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1458 | T | 29.6 | Very low | 31.1 | Very low | 123 Ų | 123 | 123.2 Ų | 123.2 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | cis | -139.8 | 143.7 | 7 | 48.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1459 | N | 27.6 | Very low | 29.8 | Very low | 132 Ų | 132 | 121.7 Ų | 121.7 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | 36.5 | 122.3 | 124.9 | -40.7 | 4.4 | 0 | 0 | 0 | 115.7 | |||||
| 1460 | L | 24.1 | Very low | 29.2 | Very low | 165 Ų | 165 | 120.5 Ų | 120.5 | 86% | 0.864 | 73% | 0.726 | S | S | * | * | S | Bend | 50.9 | 156.3 | 54.5 | -116.5 | 173.9 | 0 | 0 | 0 | 112.2 | |||
| 1461 | S | 34.1 | Very low | 28.5 | Very low | 78 Ų | 78 | 121.8 Ų | 121.8 | 55% | 0.545 | 73% | 0.727 | S | S | . | * | trans | -62.5 | 151.3 | 165.1 | 54.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1462 | D | 27.4 | Very low | 28.7 | Very low | 124 Ų | 124 | 122.1 Ų | 122.1 | 66% | 0.663 | 73% | 0.729 | S | S | * | * | -175.4 | 166.2 | 102.3 | -84.3 | -17.1 | 0 | 0 | 0 | 110.9 | |||||
| 1463 | D | 25.1 | Very low | 28.6 | Very low | 142 Ų | 142 | 121.5 Ų | 121.5 | 76% | 0.759 | 73% | 0.725 | S | S | * | * | trans | 68.7 | 146.4 | 156.7 | -61.9 | -24.3 | 0 | 0 | 0 | 121.8 | ||||
| 1464 | D | 24.7 | Very low | 28.7 | Very low | 147 Ų | 147 | 124.8 Ų | 124.8 | 79% | 0.786 | 73% | 0.729 | S | S | * | * | trans | 61.7 | 123.8 | 156.5 | -65.2 | -19.9 | 0 | 0 | 0 | 120.5 | ||||
| 1465 | S | 25 | Very low | 28.4 | Very low | 99 Ų | 99 | 125.1 Ų | 125.1 | 69% | 0.692 | 72% | 0.722 | S | S | * | * | cis | -164 | -178 | -3.4 | 39.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1466 | C | 24.6 | Very low | 27.6 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | trans | -35.4 | 148.6 | 139 | -57.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1467 | A | 26.5 | Very low | 27.4 | Very low | 72 Ų | 72 | 129.1 Ų | 129.1 | 60% | 0.595 | 73% | 0.727 | S | S | * | * | cis | -178.7 | -165.3 | -9.3 | 0 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 1468 | D | 27.7 | Very low | 27.3 | Very low | 137 Ų | 137 | 132.3 Ų | 132.3 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | trans | 55.9 | 86.9 | 145.6 | -51.3 | -10.6 | 0 | 0 | 0 | 117.7 | ||||
| 1469 | D | 28.9 | Very low | 27.3 | Very low | 141 Ų | 141 | 132.1 Ų | 132.1 | 75% | 0.754 | 73% | 0.728 | S | S | * | * | 106.4 | 152.4 | 105.7 | -68.3 | -20 | 0 | 0 | 0 | 122.5 | |||||
| 1470 | D | 29.3 | Very low | 27.1 | Very low | 136 Ų | 136 | 135.1 Ų | 135.1 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | 78.5 | 98.8 | 154.3 | -62.4 | -15.5 | 0 | 0 | 0 | 123.4 | ||||
| 1471 | E | 26.2 | Very low | 27.3 | Very low | 170 Ų | 170 | 130.2 Ų | 130.2 | 79% | 0.794 | 72% | 0.719 | S | S | * | * | 75.6 | 172.6 | 129.3 | -55.9 | -164.6 | 144 | 0 | 0 | 120.4 | |||||
| 1472 | D | 36.9 | Very low | 27 | Very low | 160 Ų | 160 | 136.1 Ų | 136.1 | 86% | 0.856 | 73% | 0.731 | S | S | * | * | trans | 58.1 | 74 | -165.9 | -65.8 | -16 | 0 | 0 | 0 | 114.6 | ||||
| 1473 | S | 24.7 | Very low | 26.8 | Very low | 84 Ų | 84 | 136.2 Ų | 136.2 | 59% | 0.587 | 73% | 0.732 | S | S | * | * | cis | 67.8 | 118.8 | 24.9 | 84.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1474 | E | 25.8 | Very low | 26.9 | Very low | 171 Ų | 171 | 136.1 Ų | 136.1 | 80% | 0.799 | 73% | 0.731 | S | S | * | * | trans | 70.1 | 134.1 | 159.6 | -64.6 | -173.7 | -161 | 0 | 0 | 118 | ||||
| 1475 | N | 28.1 | Very low | 26.9 | Very low | 124 Ų | 124 | 136.4 Ų | 136.4 | 66% | 0.663 | 73% | 0.731 | S | S | * | * | cis | -141.7 | 136.9 | 6.3 | -91.6 | -47.9 | 0 | 0 | 0 | 114.8 | ||||
| 1476 | E | 23.7 | Very low | 26.9 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 76% | 0.762 | 73% | 0.731 | S | S | * | * | trans | 50.9 | 123.5 | 139.3 | -53.2 | -163.9 | 131.6 | 0 | 0 | 125.1 | ||||
| 1477 | H | 26.5 | Very low | 26.7 | Very low | 158 Ų | 158 | 136 Ų | 136 | 73% | 0.731 | 73% | 0.73 | S | S | * | * | trans | 82.6 | 113.2 | 145 | -80.3 | -37.8 | 0 | 0 | 0 | 124.3 | ||||
| 1478 | I | 26.7 | Very low | 26.6 | Very low | 133 Ų | 133 | 136.9 Ų | 136.9 | 68% | 0.682 | 74% | 0.737 | S | S | * | * | trans | 74.5 | 116.6 | 133.7 | -61.5 | 167.9 | 0 | 0 | 0 | 116.8 | ||||
| 1479 | P | 28.8 | Very low | 26.4 | Very low | 120 Ų | 120 | 138.4 Ų | 138.4 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | -149.9 | 177.6 | 81.6 | 39.5 | -20 | 0 | 0 | 0 | 119.1 | |||||
| 1480 | Y | 25.1 | Very low | 26.1 | Very low | 195 Ų | 195 | 136 Ų | 136 | 77% | 0.765 | 74% | 0.739 | S | S | * | * | trans | -38.7 | 165.3 | 169.4 | -65.8 | -96.5 | 0 | 0 | 0 | 116.9 | ||||
| 1481 | G | 27.6 | Very low | 25.9 | Very low | 61 Ų | 61 | 138.8 Ų | 138.8 | 63% | 0.629 | 74% | 0.744 | S | S | * | * | cis | 154.2 | 166.2 | 9.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1482 | Y | 26.8 | Very low | 25.8 | Very low | 202 Ų | 202 | 136.6 Ų | 136.6 | 79% | 0.792 | 74% | 0.736 | S | S | * | * | cis | -136 | 125.2 | 21.6 | -87.7 | -104.2 | 0 | 0 | 0 | 113.4 | ||||
| 1483 | N | 24.6 | Very low | 25.2 | Very low | 127 Ų | 127 | 138 Ų | 138 | 68% | 0.679 | 74% | 0.735 | S | S | * | * | 15.2 | 151.6 | 126.3 | -58.7 | 4.2 | 0 | 0 | 0 | 121.7 | |||||
| 1484 | L | 26.6 | Very low | 25 | Very low | 140 Ų | 140 | 145.2 Ų | 145.2 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | cis | -162.9 | 124 | -17.6 | -108.5 | 168.4 | 0 | 0 | 0 | 104.4 | ||||
| 1485 | L | 24.8 | Very low | 25.2 | Very low | 153 Ų | 153 | 142.8 Ų | 142.8 | 80% | 0.801 | 75% | 0.748 | S | S | * | * | cis | 86.8 | 123.5 | 30.4 | -105.6 | 172.9 | 0 | 0 | 0 | 117.4 | ||||
| 1486 | S | 24.3 | Very low | 24.9 | Very low | 98 Ų | 98 | 146.2 Ų | 146.2 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | trans | 81.6 | 110.5 | 146.4 | 66.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1487 | S | 22 | Very low | 24.9 | Very low | 112 Ų | 112 | 146.4 Ų | 146.4 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | trans | -64.5 | 137.7 | 136.7 | 54.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1488 | A | 23.9 | Very low | 24.7 | Very low | 90 Ų | 90 | 146.3 Ų | 146.3 | 74% | 0.744 | 76% | 0.763 | S | S | * | * | trans | 60.1 | 124.8 | 151.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1489 | L | 22.8 | Very low | 24.5 | Very low | 169 Ų | 169 | 145.9 Ų | 145.9 | 89% | 0.885 | 76% | 0.758 | S | S | * | * | -151.8 | 153.3 | 104.7 | -109.9 | 169.7 | 0 | 0 | 0 | 113.8 | |||||
| 1490 | S | 23.9 | Very low | 24.2 | Very low | 91 Ų | 91 | 149.1 Ų | 149.1 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | trans | -57.2 | 139 | -165.4 | 53 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1491 | K | 24 | Very low | 24.2 | Very low | 194 Ų | 194 | 146.8 Ų | 146.8 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | S | Bend | -130.7 | 139.7 | 104.6 | -70.2 | -178.4 | -178.4 | 170.5 | 0 | 108.3 | |||
| 1492 | I | 23.9 | Very low | 24.2 | Very low | 123 Ų | 123 | 149.1 Ų | 149.1 | 63% | 0.631 | 76% | 0.759 | S | S | * | * | cis | -159.8 | 142 | -7.4 | -113.1 | 162 | 0 | 0 | 0 | 106.7 | ||||
| 1493 | K | 24.6 | Very low | 23.9 | Very low | 191 Ų | 191 | 144.8 Ų | 144.8 | 83% | 0.83 | 76% | 0.758 | S | S | * | * | trans | 64.4 | 141.4 | 166.1 | -77.4 | 169.2 | -170.1 | 177.8 | 0 | 116.5 | ||||
| 1494 | R | 21.5 | Very low | 24.2 | Very low | 234 Ų | 234 | 144.6 Ų | 144.6 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | cis | 64 | 137.9 | 21.8 | -72.3 | -167.4 | -178.2 | -173.3 | 2.9 | 116.4 | ||||
| 1495 | P | 28.9 | Very low | 24 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | cis | -138.4 | -164 | -11.8 | 34.6 | -10.9 | 0 | 0 | 0 | 113.8 | ||||
| 1496 | F | 21.3 | Very low | 23.9 | Very low | 197 Ų | 197 | 139.7 Ų | 139.7 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | trans | -57.2 | -176.9 | 153.3 | -98.7 | -114.3 | 0 | 0 | 0 | 112.7 | ||||
| 1497 | L | 24.3 | Very low | 24 | Very low | 166 Ų | 166 | 140.5 Ų | 140.5 | 87% | 0.869 | 76% | 0.755 | S | S | * | * | trans | 86.6 | 104.4 | 165.1 | -72.8 | 162.4 | 0 | 0 | 0 | 117.8 | ||||
| 1498 | Q | 22.3 | Very low | 24.1 | Very low | 156 Ų | 156 | 139.8 Ų | 139.8 | 73% | 0.729 | 75% | 0.746 | S | S | * | * | trans | -48.2 | 152.5 | 132.9 | -52.5 | 158.1 | -53.2 | 0 | 0 | 108.7 | ||||
| 1499 | H | 22.9 | Very low | 24.1 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 57% | 0.574 | 74% | 0.742 | S | S | * | * | -177.8 | 156.4 | 60.9 | -126.3 | -70.8 | 0 | 0 | 0 | 110.3 | |||||
| 1500 | Y | 22.2 | Very low | 24.1 | Very low | 189 Ų | 189 | 138.1 Ų | 138.1 | 74% | 0.741 | 73% | 0.734 | S | S | * | * | trans | 62.4 | 120.5 | 172 | -55 | -70.2 | 0 | 0 | 0 | 115.8 | ||||
| 1501 | N | 25.3 | Very low | 24.1 | Very low | 146 Ų | 146 | 139.3 Ų | 139.3 | 78% | 0.781 | 74% | 0.737 | S | S | * | * | cis | -126.8 | 134.2 | 46.1 | -83.6 | -38.3 | 0 | 0 | 0 | 116.4 | ||||
| 1502 | T | 26.5 | Very low | 24.1 | Very low | 109 Ų | 109 | 135.4 Ų | 135.4 | 67% | 0.669 | 73% | 0.73 | S | S | * | * | trans | 45.3 | 108.5 | 141.2 | 62.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 1503 | S | 21.8 | Very low | 24.2 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 78% | 0.783 | 74% | 0.737 | S | S | * | * | 35.4 | 150.7 | 106.1 | -57.7 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 1504 | P | 29.8 | Very low | 24.3 | Very low | 123 Ų | 123 | 135 Ų | 135 | 80% | 0.799 | 74% | 0.738 | S | S | * | * | cis | -139.8 | -148.5 | -11.1 | 40.3 | -18.6 | 0 | 0 | 0 | 112.6 | ||||
| 1505 | A | 24.1 | Very low | 24.6 | Very low | 75 Ų | 75 | 129.5 Ų | 129.5 | 62% | 0.62 | 73% | 0.732 | S | S | * | * | trans | 71.8 | 117.2 | 159.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1506 | T | 22.4 | Very low | 24.7 | Very low | 114 Ų | 114 | 129 Ų | 129 | 70% | 0.699 | 73% | 0.732 | S | S | * | * | 62.2 | 144.6 | 64.9 | 69.4 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 1507 | T | 25 | Very low | 25.2 | Very low | 115 Ų | 115 | 124.3 Ų | 124.3 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | trans | 74.7 | 147.1 | 176.2 | 74.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 1508 | T | 24.1 | Very low | 25.2 | Very low | 97 Ų | 97 | 127.7 Ų | 127.7 | 60% | 0.595 | 73% | 0.726 | S | S | * | * | cis | -164.6 | 176 | -24.8 | 30.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1509 | T | 24.2 | Very low | 25.5 | Very low | 109 Ų | 109 | 123.5 Ų | 123.5 | 67% | 0.669 | 73% | 0.725 | S | S | * | * | trans | 60.6 | 112.2 | 139 | 46.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1510 | T | 23.7 | Very low | 25.6 | Very low | 116 Ų | 116 | 123.1 Ų | 123.1 | 71% | 0.712 | 74% | 0.735 | S | S | * | * | 50.8 | 119 | 123.5 | 66 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 1511 | T | 23.1 | Very low | 25.6 | Very low | 115 Ų | 115 | 120.8 Ų | 120.8 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | trans | 37.5 | 109.5 | 131.3 | 62.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1512 | T | 24.7 | Very low | 25.9 | Very low | 113 Ų | 113 | 118.5 Ų | 118.5 | 69% | 0.693 | 73% | 0.734 | S | S | * | * | 72.2 | 141.9 | 127.1 | 63.8 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 1513 | H | 26.8 | Very low | 25.8 | Very low | 168 Ų | 168 | 123.7 Ų | 123.7 | 78% | 0.778 | 74% | 0.742 | S | S | * | * | trans | 73.2 | 112.5 | 155.9 | -60.5 | -54.3 | 0 | 0 | 0 | 119.8 | ||||
| 1514 | T | 25.1 | Very low | 26.6 | Very low | 137 Ų | 137 | 121.8 Ų | 121.8 | 84% | 0.84 | 73% | 0.729 | S | S | * | * | -172.4 | 166.8 | 113.3 | 26 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 1515 | P | 27.8 | Very low | 26.5 | Very low | 119 Ų | 119 | 122.5 Ų | 122.5 | 77% | 0.773 | 72% | 0.722 | S | S | * | * | -140.3 | 139.3 | -68.9 | 35.2 | -15.5 | 0 | 0 | 0 | 115.2 | |||||
| 1516 | S | 31.4 | Very low | 26.6 | Very low | 110 Ų | 110 | 126.5 Ų | 126.5 | 77% | 0.769 | 73% | 0.727 | S | S | * | * | trans | -157.1 | 120.9 | 161.8 | 53.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 1517 | S | 31.5 | Very low | 26.7 | Very low | 98 Ų | 98 | 126 Ų | 126 | 69% | 0.685 | 73% | 0.728 | S | S | * | * | trans | 30 | 103.9 | 148.5 | 52.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1518 | Y | 25.6 | Very low | 26.7 | Very low | 237 Ų | 237 | 124.6 Ų | 124.6 | 93% | 0.929 | 72% | 0.723 | S | S | * | * | 47.6 | 127 | 62.5 | -57.8 | -82.2 | 0 | 0 | 0 | 113.9 | |||||
| 1519 | G | 26.8 | Very low | 26.8 | Very low | 68 Ų | 68 | 126.9 Ų | 126.9 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | cis | 168 | 174.4 | -7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1520 | C | 25.2 | Very low | 26.7 | Very low | 116 Ų | 116 | 127.7 Ų | 127.7 | 78% | 0.784 | 73% | 0.73 | S | S | * | * | trans | 58.9 | 105.2 | 158.8 | -63.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1521 | T | 23.3 | Very low | 26.8 | Very low | 139 Ų | 139 | 128.6 Ų | 128.6 | 85% | 0.853 | 73% | 0.729 | S | S | * | * | trans | 76.8 | 155.4 | 134.3 | 57.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1522 | P | 31 | Very low | 27 | Very low | 99 Ų | 99 | 128.1 Ų | 128.1 | 64% | 0.643 | 73% | 0.726 | S | S | * | * | trans | -130 | 176.7 | -145.9 | 38 | -19.7 | 0 | 0 | 0 | 117 | ||||
| 1523 | Y | 25.3 | Very low | 27.1 | Very low | 218 Ų | 218 | 132.9 Ų | 132.9 | 86% | 0.855 | 73% | 0.732 | S | S | * | * | trans | 68.2 | 139.2 | 164.6 | -67.3 | -64.7 | 0 | 0 | 0 | 117.4 | ||||
| 1524 | S | 38 | Very low | 27.3 | Very low | 72 Ų | 72 | 130.2 Ų | 130.2 | 50% | 0.503 | 72% | 0.723 | S | S | . | * | cis | 179.1 | -170.5 | -20.8 | 35.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1525 | H | 28.1 | Very low | 27.4 | Very low | 138 Ų | 138 | 127.7 Ų | 127.7 | 64% | 0.639 | 71% | 0.711 | S | S | * | * | trans | 109.4 | 138.3 | 137.3 | -74 | -55.4 | 0 | 0 | 0 | 122.7 | ||||
| 1526 | H | 26.3 | Very low | 27.4 | Very low | 159 Ų | 159 | 129 Ų | 129 | 74% | 0.736 | 71% | 0.705 | S | S | * | * | trans | 73.2 | 148.5 | 141.1 | -71.1 | -32.3 | 0 | 0 | 0 | 118.6 | ||||
| 1527 | S | 24.7 | Very low | 27.3 | Very low | 102 Ų | 102 | 130.6 Ų | 130.6 | 71% | 0.713 | 70% | 0.7 | S | S | * | * | cis | -148.8 | -172.5 | -1.7 | 55.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1528 | S | 24.8 | Very low | 27 | Very low | 87 Ų | 87 | 132.8 Ų | 132.8 | 61% | 0.608 | 70% | 0.703 | S | S | * | * | cis | -171.3 | 161.8 | 19.7 | -136.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1529 | I | 25 | Very low | 27.1 | Very low | 144 Ų | 144 | 128 Ų | 128 | 74% | 0.738 | 69% | 0.692 | S | S | * | * | trans | 65.9 | 128.5 | 144.8 | -69.9 | 163 | 0 | 0 | 0 | 117.4 | ||||
| 1530 | D | 22.3 | Very low | 26.9 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 67% | 0.674 | 69% | 0.691 | S | S | * | * | cis | -158.3 | 168.8 | 2.3 | -133.5 | -23.4 | 0 | 0 | 0 | 113.5 | ||||
| 1531 | I | 25.6 | Very low | 26.8 | Very low | 135 Ų | 135 | 130.9 Ų | 130.9 | 69% | 0.692 | 68% | 0.684 | S | S | * | * | trans | 58.6 | 119.5 | 153.3 | -67.7 | 162.3 | 0 | 0 | 0 | 116.9 | ||||
| 1532 | T | 27.2 | Very low | 26.9 | Very low | 105 Ų | 105 | 133.2 Ų | 133.2 | 64% | 0.644 | 68% | 0.683 | S | S | * | * | cis | -159.3 | 140.3 | 11.3 | 13.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 1533 | R | 27.9 | Very low | 26.5 | Very low | 214 Ų | 214 | 133 Ų | 133 | 81% | 0.808 | 68% | 0.683 | S | S | * | * | trans | 54.6 | 148.2 | 134.8 | -69 | -172.2 | 137.8 | 106.3 | 5.5 | 121.2 | ||||
| 1534 | D | 29.6 | Very low | 26.3 | Very low | 112 Ų | 112 | 127.8 Ų | 127.8 | 60% | 0.599 | 68% | 0.679 | S | S | * | * | cis | -166.2 | 155.7 | -9.5 | -116.4 | -39 | 0 | 0 | 0 | 104 | K1536 | D1534-K1536 IonicContact OD1-NZ 2.63Å; D1534-K1536 PolarHBondContact OD1-NZ 2.91Å; D1534-K1536 VanDerWaalsContact OD1-NZ 3.14Å | ||
| 1535 | S | 28.4 | Very low | 25.6 | Very low | 84 Ų | 84 | 134.1 Ų | 134.1 | 59% | 0.587 | 69% | 0.692 | S | S | * | * | cis | -178.9 | 162.3 | -7.1 | 106.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1536 | K | 27.1 | Very low | 25.4 | Very low | 146 Ų | 146 | 133.5 Ų | 133.5 | 64% | 0.635 | 69% | 0.689 | S | S | * | * | cis | -159.8 | 173.7 | 6.6 | -105.8 | 157 | -156.1 | 95.5 | 0 | 105.7 | D1534 | D1534-K1536 IonicContact OD1-NZ 2.63Å; D1534-K1536 PolarHBondContact OD1-NZ 2.91Å; D1534-K1536 VanDerWaalsContact OD1-NZ 3.14Å | ||
| 1537 | H | 29.5 | Very low | 25.1 | Very low | 144 Ų | 144 | 129.8 Ų | 129.8 | 67% | 0.667 | 68% | 0.681 | S | S | * | * | cis | -136.7 | -148 | 9.8 | -138.2 | -52.8 | 0 | 0 | 0 | 112.1 | ||||
| 1538 | L | 24.2 | Very low | 25.1 | Very low | 143 Ų | 143 | 132.7 Ų | 132.7 | 75% | 0.749 | 68% | 0.681 | S | S | * | * | trans | -152.3 | -164.4 | -159.3 | -74.9 | 165.8 | 0 | 0 | 0 | 112 | ||||
| 1539 | L | 28.1 | Very low | 25.1 | Very low | 136 Ų | 136 | 133.8 Ų | 133.8 | 71% | 0.712 | 68% | 0.68 | S | S | * | * | trans | 88.4 | 138.3 | 160.9 | -34.3 | -179.8 | 0 | 0 | 0 | 117.3 | ||||
| 1540 | F | 23.5 | Very low | 25.3 | Very low | 155 Ų | 155 | 133.6 Ų | 133.6 | 68% | 0.68 | 68% | 0.681 | S | S | * | * | cis | -168.3 | 142.7 | -34.1 | -120.8 | -61.7 | 0 | 0 | 0 | 111.5 | ||||
| 1541 | S | 22.2 | Very low | 25.4 | Very low | 90 Ų | 90 | 133 Ų | 133 | 63% | 0.629 | 68% | 0.677 | S | S | * | * | trans | 29.4 | 155.3 | 147.5 | 66.7 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 1542 | K | 26.9 | Very low | 25.4 | Very low | 189 Ų | 189 | 131.6 Ų | 131.6 | 82% | 0.822 | 68% | 0.679 | S | S | * | * | trans | 97.7 | 132.9 | 169.2 | -61.6 | -179.9 | 179.4 | 175.5 | 0 | 113.5 | ||||
| 1543 | S | 21.1 | Very low | 25.2 | Very low | 93 Ų | 93 | 131.6 Ų | 131.6 | 65% | 0.65 | 68% | 0.684 | S | S | * | * | cis | 80.6 | 129.3 | 26.4 | 89.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1544 | S | 22.7 | Very low | 24.8 | Very low | 110 Ų | 110 | 126.1 Ų | 126.1 | 77% | 0.769 | 68% | 0.679 | S | S | * | * | trans | 67.6 | 149.3 | -169.7 | 85.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1545 | R | 23.2 | Very low | 24.5 | Very low | 204 Ų | 204 | 126.4 Ų | 126.4 | 77% | 0.77 | 68% | 0.684 | S | S | * | * | cis | -152.3 | 162.2 | -2.5 | -131.2 | 172.1 | 169.6 | 154.2 | -1.4 | 109.4 | ||||
| 1546 | Q | 22.4 | Very low | 24.1 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 59% | 0.589 | 69% | 0.693 | S | S | * | * | 27.4 | 112.6 | 115.6 | -62.4 | 178 | -62.9 | 0 | 0 | 113.6 | |||||
| 1547 | S | 21.4 | Very low | 24.1 | Very low | 81 Ų | 81 | 129.9 Ų | 129.9 | 57% | 0.566 | 70% | 0.701 | S | S | * | * | 52.3 | 120 | 73.6 | 80.4 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 1548 | F | 24.9 | Very low | 23.7 | Very low | 162 Ų | 162 | 130.3 Ų | 130.3 | 71% | 0.711 | 71% | 0.706 | S | S | * | * | -151.7 | 144.2 | 92.2 | -92.4 | -80.5 | 0 | 0 | 0 | 105.2 | |||||
| 1549 | D | 24.1 | Very low | 23.8 | Very low | 110 Ų | 110 | 133 Ų | 133 | 59% | 0.588 | 71% | 0.706 | S | S | * | * | 46 | 131.4 | 92.7 | -53.2 | 8.8 | 0 | 0 | 0 | 111.4 | |||||
| 1550 | D | 29.4 | Very low | 23.7 | Very low | 141 Ų | 141 | 134.1 Ų | 134.1 | 75% | 0.754 | 71% | 0.707 | S | S | * | * | cis | -120.5 | 147.1 | 30.4 | -80.2 | -58.7 | 0 | 0 | 0 | 113.5 | ||||
| 1551 | N | 23.3 | Very low | 23.8 | Very low | 112 Ų | 112 | 132.3 Ų | 132.3 | 60% | 0.599 | 71% | 0.714 | S | S | * | * | 71.1 | 158 | 57.5 | -63.9 | -53.5 | 0 | 0 | 0 | 114.1 | |||||
| 1552 | S | 25.6 | Very low | 24 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 74% | 0.741 | 72% | 0.718 | S | S | * | * | trans | 58 | 104.2 | -174 | 61.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1553 | S | 22.9 | Very low | 24 | Very low | 105 Ų | 105 | 131.1 Ų | 131.1 | 73% | 0.734 | 72% | 0.716 | S | S | * | * | cis | 66.9 | 134.7 | 28.9 | 109.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1554 | S | 21.3 | Very low | 24.3 | Very low | 100 Ų | 100 | 134 Ų | 134 | 70% | 0.699 | 72% | 0.719 | S | S | * | * | trans | 82.3 | 112.8 | 146.1 | -52.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1555 | V | 21.5 | Very low | 24.7 | Very low | 118 Ų | 118 | 137.5 Ų | 137.5 | 72% | 0.715 | 72% | 0.723 | S | S | * | * | 81 | 121.6 | 117.4 | 173.4 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 1556 | N | 21.8 | Very low | 24.7 | Very low | 145 Ų | 145 | 134.6 Ų | 134.6 | 78% | 0.775 | 72% | 0.723 | S | S | * | * | trans | 75.3 | 166.1 | 153.7 | -69.7 | -13 | 0 | 0 | 0 | 120.4 | ||||
| 1557 | I | 25.7 | Very low | 24.9 | Very low | 157 Ų | 157 | 135.8 Ų | 135.8 | 81% | 0.805 | 73% | 0.731 | S | S | * | * | trans | 74.5 | 91.8 | 174.3 | -47.4 | -178.2 | 0 | 0 | 0 | 112.4 | ||||
| 1558 | M | 22.3 | Very low | 25.1 | Very low | 154 Ų | 154 | 140.2 Ų | 140.2 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | 76.6 | 116.1 | 64.7 | -171 | -176.6 | -169.2 | 0 | 0 | 113.3 | |||||
| 1559 | R | 25.2 | Very low | 25.2 | Very low | 198 Ų | 198 | 138.1 Ų | 138.1 | 75% | 0.747 | 75% | 0.746 | S | S | * | * | trans | 85.2 | 123.9 | 168.3 | -74.9 | 173 | 176.8 | 170.7 | -0.9 | 120.7 | ||||
| 1560 | Q | 25.9 | Very low | 25.3 | Very low | 160 Ų | 160 | 138.3 Ų | 138.3 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | trans | 82.1 | 116.7 | 131.1 | -69.9 | 170 | -56.9 | 0 | 0 | 121.6 | ||||
| 1561 | S | 26.1 | Very low | 25 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | trans | 57.4 | 131.4 | 141.3 | 57.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1562 | A | 27.3 | Very low | 25 | Very low | 87 Ų | 87 | 137 Ų | 137 | 72% | 0.719 | 76% | 0.756 | S | S | * | * | cis | -157.3 | 166.8 | 22 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1563 | H | 26.6 | Very low | 24.8 | Very low | 166 Ų | 166 | 137.4 Ų | 137.4 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 76 | 121.4 | 166.1 | -84.1 | -75.9 | 0 | 0 | 0 | 121.4 | ||
| 1564 | H | 27.8 | Very low | 24.8 | Very low | 154 Ų | 154 | 138.1 Ų | 138.1 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 71.1 | 66.8 | 158 | -65.5 | -66.7 | 0 | 0 | 0 | 121.4 | ||
| 1565 | H | 29.3 | Very low | 24.9 | Very low | 183 Ų | 183 | 139.6 Ų | 139.6 | 85% | 0.847 | 76% | 0.76 | S | S | * | * | trans | 58.9 | 70.4 | 132 | -81.8 | -67.9 | 0 | 0 | 0 | 119.5 | ||||
| 1566 | D | 23.9 | Very low | 25.3 | Very low | 144 Ų | 144 | 138.7 Ų | 138.7 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | trans | -59 | 172.5 | 134.4 | -57.1 | -72.8 | 0 | 0 | 0 | 110.7 | ||||
| 1567 | I | 26.3 | Very low | 25.4 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | -164 | 125.4 | 73.9 | -88.5 | -177.6 | 0 | 0 | 0 | 113.5 | |||||
| 1568 | M | 25.5 | Very low | 25.3 | Very low | 175 Ų | 175 | 135.7 Ų | 135.7 | 86% | 0.862 | 75% | 0.751 | S | S | * | * | trans | 70.1 | 161.6 | 144.5 | -73.3 | -176.5 | 173.2 | 0 | 0 | 123.8 | ||||
| 1569 | T | 26.6 | Very low | 25.5 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 72% | 0.718 | 75% | 0.75 | S | S | * | * | trans | -147.8 | 168.5 | -162.9 | 57.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1570 | T | 26.2 | Very low | 25.5 | Very low | 114 Ų | 114 | 128.7 Ų | 128.7 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | trans | 65.1 | 119.9 | 145 | 47.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1571 | T | 24.3 | Very low | 25.5 | Very low | 121 Ų | 121 | 127.2 Ų | 127.2 | 74% | 0.742 | 75% | 0.749 | S | S | * | * | 78.3 | 113.6 | 129.4 | 57.2 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 1572 | S | 23.4 | Very low | 25.7 | Very low | 104 Ų | 104 | 125.6 Ų | 125.6 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | 97.9 | 156.2 | 117.7 | 76 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 1573 | T | 21.6 | Very low | 25.9 | Very low | 116 Ų | 116 | 129 Ų | 129 | 71% | 0.712 | 74% | 0.744 | S | S | * | * | trans | 62 | 95.5 | 164.6 | 44.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1574 | T | 22.4 | Very low | 26.1 | Very low | 119 Ų | 119 | 124.3 Ų | 124.3 | 73% | 0.73 | 74% | 0.74 | S | S | * | * | 41.9 | 122 | 122.9 | 58.9 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 1575 | T | 23.4 | Very low | 26.1 | Very low | 131 Ų | 131 | 124.4 Ų | 124.4 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | 161.5 | 167.1 | 110.2 | 45.6 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 1576 | P | 29.9 | Very low | 25.9 | Very low | 100 Ų | 100 | 120 Ų | 120 | 65% | 0.649 | 74% | 0.736 | S | S | * | * | -130.6 | -162.2 | -67.2 | 37.7 | -19.3 | 0 | 0 | 0 | 110.5 | |||||
| 1577 | I | 23.6 | Very low | 25.9 | Very low | 162 Ų | 162 | 120.4 Ų | 120.4 | 83% | 0.831 | 74% | 0.738 | S | S | * | * | trans | 70.2 | 143.3 | 160.6 | -65.5 | 165.1 | 0 | 0 | 0 | 115.1 | ||||
| 1578 | A | 23.5 | Very low | 26 | Very low | 76 Ų | 76 | 120.9 Ų | 120.9 | 63% | 0.628 | 74% | 0.741 | S | S | * | * | cis | -168.9 | -169.9 | -27.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1579 | V | 27.1 | Very low | 26.1 | Very low | 122 Ų | 122 | 118 Ų | 118 | 74% | 0.739 | 73% | 0.734 | S | S | * | * | trans | 59 | 92.7 | 161.9 | -176.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1580 | A | 24.2 | Very low | 25.9 | Very low | 83 Ų | 83 | 116.7 Ų | 116.7 | 69% | 0.686 | 73% | 0.734 | S | S | * | * | 60.9 | 162.3 | 66.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1581 | T | 27.4 | Very low | 25.8 | Very low | 129 Ų | 129 | 115.9 Ų | 115.9 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | trans | 66.3 | 144.4 | -172.9 | 72.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 1582 | S | 29.2 | Very low | 25.8 | Very low | 84 Ų | 84 | 117.7 Ų | 117.7 | 59% | 0.587 | 74% | 0.738 | S | S | * | * | cis | -171.4 | 158.5 | -17.2 | 47.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1583 | N | 31.6 | Very low | 25.9 | Very low | 160 Ų | 160 | 118.1 Ų | 118.1 | 86% | 0.856 | 74% | 0.736 | S | S | * | * | trans | 55.9 | 122.4 | 155.5 | -50.7 | -17.7 | 0 | 0 | 0 | 116.7 | ||||
| 1584 | G | 30.5 | Very low | 26 | Very low | 66 Ų | 66 | 118.6 Ų | 118.6 | 68% | 0.68 | 73% | 0.734 | S | S | * | * | cis | 107.9 | 156.4 | 19.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1585 | N | 29 | Very low | 26.3 | Very low | 157 Ų | 157 | 118.2 Ų | 118.2 | 84% | 0.84 | 73% | 0.728 | S | S | * | * | trans | 59.4 | 97.4 | 170.5 | -59.7 | 0.9 | 0 | 0 | 0 | 115.9 | ||||
| 1586 | S | 24.2 | Very low | 26.6 | Very low | 91 Ų | 91 | 118.3 Ų | 118.3 | 64% | 0.636 | 72% | 0.723 | S | S | * | * | 89.8 | 123 | 62.5 | 69.4 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 1587 | N | 24.6 | Very low | 26.9 | Very low | 152 Ų | 152 | 120.1 Ų | 120.1 | 81% | 0.813 | 73% | 0.726 | S | S | * | * | trans | 47.3 | 90.6 | 140.9 | -55.1 | -2 | 0 | 0 | 0 | 119 | ||||
| 1588 | L | 27.6 | Very low | 27.3 | Very low | 160 Ų | 160 | 119.9 Ų | 119.9 | 84% | 0.838 | 73% | 0.727 | S | S | * | * | trans | -134.6 | 105.1 | 145.8 | -74.4 | -179.8 | 0 | 0 | 0 | 107 | ||||
| 1589 | T | 27.2 | Very low | 27.8 | Very low | 115 Ų | 115 | 119.9 Ų | 119.9 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | 74.7 | 105.9 | 81.5 | 59.9 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 1590 | A | 23.5 | Very low | 28.1 | Very low | 88 Ų | 88 | 120.6 Ų | 120.6 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | 45.3 | 101.2 | 127 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 1591 | S | 23.9 | Very low | 28.6 | Very low | 98 Ų | 98 | 123.5 Ų | 123.5 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | 75.9 | 128.7 | 113.6 | 71.9 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 1592 | L | 23.9 | Very low | 28.7 | Very low | 158 Ų | 158 | 124.4 Ų | 124.4 | 83% | 0.827 | 74% | 0.737 | S | S | * | * | 93.2 | 145.3 | 129.4 | -83.9 | 167.1 | 0 | 0 | 0 | 121.2 | |||||
| 1593 | V | 25.1 | Very low | 28.8 | Very low | 114 Ų | 114 | 127.4 Ų | 127.4 | 69% | 0.691 | 75% | 0.747 | S | S | * | * | trans | 86.2 | 111.4 | 151.5 | 160.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1594 | D | 24.3 | Very low | 28.6 | Very low | 125 Ų | 125 | 127 Ų | 127 | 67% | 0.668 | 74% | 0.744 | S | S | * | * | trans | 75.6 | 144.1 | 142.3 | -68.8 | 23.3 | 0 | 0 | 0 | 120.2 | ||||
| 1595 | N | 29.3 | Very low | 28.6 | Very low | 112 Ų | 112 | 130.1 Ų | 130.1 | 60% | 0.599 | 75% | 0.75 | S | S | * | * | cis | -157.1 | 157.5 | 2.3 | -125.2 | -28.1 | 0 | 0 | 0 | 115 | ||||
| 1596 | N | 29.9 | Very low | 28.4 | Very low | 132 Ų | 132 | 128.9 Ų | 128.9 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | trans | 72.5 | 141.6 | 143.6 | -71.6 | -25.4 | 0 | 0 | 0 | 124.3 | ||||
| 1597 | I | 34.5 | Very low | 28.5 | Very low | 139 Ų | 139 | 130.8 Ų | 130.8 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | trans | 97.5 | 95.7 | 145.5 | -73.4 | 155.7 | 0 | 0 | 0 | 119.7 | ||||
| 1598 | D | 32.1 | Very low | 28.6 | Very low | 157 Ų | 157 | 129.8 Ų | 129.8 | 84% | 0.84 | 74% | 0.737 | S | S | * | * | 63.2 | 137.7 | 127.5 | -45.4 | -14.2 | 0 | 0 | 0 | 122.6 | |||||
| 1599 | G | 35 | Very low | 28.5 | Very low | 75 Ų | 75 | 129.3 Ų | 129.3 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | trans | 152 | 96 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1600 | D | 32.5 | Very low | 28.7 | Very low | 138 Ų | 138 | 132.7 Ų | 132.7 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | trans | -93.5 | -171.2 | 178.5 | -66.2 | -76.4 | 0 | 0 | 0 | 112.7 | ||||
| 1601 | D | 34.9 | Very low | 28.8 | Very low | 143 Ų | 143 | 136.2 Ų | 136.2 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | trans | 82.7 | 101 | 158.7 | -55.2 | -19.9 | 0 | 0 | 0 | 120.5 | ||||
| 1602 | D | 30.1 | Very low | 29.1 | Very low | 148 Ų | 148 | 138.7 Ų | 138.7 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | 59.3 | 159.7 | 119 | -69.8 | -10.4 | 0 | 0 | 0 | 125 | |||||
| 1603 | D | 31.7 | Very low | 29.4 | Very low | 147 Ų | 147 | 140.3 Ų | 140.3 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | trans | 64.5 | 111.9 | 159.6 | -71.5 | -9.5 | 0 | 0 | 0 | 122.4 | ||||
| 1604 | D | 26.5 | Very low | 29.6 | Very low | 151 Ų | 151 | 141.5 Ų | 141.5 | 81% | 0.807 | 76% | 0.761 | S | S | * | * | 52.7 | 140.3 | 122.5 | -101.7 | -2.9 | 0 | 0 | 0 | 123.8 | |||||
| 1605 | V | 31 | Very low | 29.9 | Very low | 132 Ų | 132 | 140.1 Ų | 140.1 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | trans | 82.5 | 165.9 | 153.3 | 174.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1606 | E | 25 | Very low | 30 | Very low | 132 Ų | 132 | 141.2 Ų | 141.2 | 62% | 0.617 | 77% | 0.773 | S | S | * | * | trans | -91 | -172.3 | -169.4 | -54.3 | 178.6 | 118.3 | 0 | 0 | 112.2 | R772 | R772-E1606 IonicContact CZ-OE1 3.66Å; R772-E1606 IonicContact NH2-OE1 2.79Å; R772-E1606 PolarHBondContact NH2-OE1 2.99Å | ||
| 1607 | D | 26 | Very low | 29.9 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | trans | 77 | 117.9 | 173.4 | -64.8 | -29.1 | 0 | 0 | 0 | 116.3 | ||||
| 1608 | N | 25.7 | Very low | 29.3 | Very low | 131 Ų | 131 | 141.2 Ų | 141.2 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | 78.3 | 140.9 | 98 | -52.7 | -31.3 | 0 | 0 | 0 | 112.1 | |||||
| 1609 | D | 26.9 | Very low | 29.4 | Very low | 150 Ų | 150 | 138.3 Ų | 138.3 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | cis | -136.7 | 159.8 | 29.2 | -62.9 | -60 | 0 | 0 | 0 | 113.7 | ||||
| 1610 | E | 31.4 | Very low | 28.8 | Very low | 186 Ų | 186 | 144 Ų | 144 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | -179.6 | 97.3 | 110.2 | -96.9 | -162.9 | 170.4 | 0 | 0 | 110.7 | |||||
| 1611 | D | 25.6 | Very low | 28.5 | Very low | 162 Ų | 162 | 143.7 Ų | 143.7 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | trans | -76.5 | 128.9 | 164.1 | -84.3 | -50.3 | 0 | 0 | 0 | 110.2 | ||||
| 1612 | N | 30.6 | Very low | 27.8 | Very low | 150 Ų | 150 | 142.2 Ų | 142.2 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | trans | -164.7 | 81.7 | 158.6 | -98.6 | -52.6 | 0 | 0 | 0 | 112.4 | ||||
| 1613 | E | 30 | Very low | 27.7 | Very low | 191 Ų | 191 | 141 Ų | 141 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | -174.8 | 126.6 | 106.8 | -97.2 | -167.3 | 166.8 | 0 | 0 | 111.3 | |||||
| 1614 | D | 29.5 | Very low | 27.2 | Very low | 140 Ų | 140 | 140 Ų | 140 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | trans | -63 | 146.8 | -175.3 | -78.7 | -87.1 | 0 | 0 | 0 | 115.7 | N1616 | D1614-N1616 PolarHBondContact OD1-ND2 3.25Å; D1614-N1616 VanDerWaalsContact OD1-ND2 3.11Å | ||
| 1615 | A | 29.7 | Very low | 27.2 | Very low | 96 Ų | 96 | 140.4 Ų | 140.4 | 79% | 0.793 | 77% | 0.771 | S | S | * | * | 159.1 | 139.3 | 96.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1616 | N | 30.5 | Very low | 26.9 | Very low | 135 Ų | 135 | 140 Ų | 140 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | cis | -164 | 175.4 | -27.2 | -145.3 | -59 | 0 | 0 | 0 | 109.9 | D1614 | D1614-N1616 PolarHBondContact OD1-ND2 3.25Å; D1614-N1616 VanDerWaalsContact OD1-ND2 3.11Å | ||
| 1617 | A | 29 | Very low | 26.8 | Very low | 88 Ų | 88 | 137.9 Ų | 137.9 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | 80.1 | 107.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1618 | Q | 22.4 | Very low | 26.6 | Very low | 183 Ų | 183 | 139 Ų | 139 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | -88.1 | -155.4 | 159.2 | -59.8 | -169.7 | -3.7 | 0 | 0 | 109.6 | ||||
| 1619 | P | 32.9 | Very low | 26.4 | Very low | 96 Ų | 96 | 138.6 Ų | 138.6 | 62% | 0.623 | 77% | 0.773 | S | S | * | * | cis | -152.3 | 174 | 3.4 | 44.8 | -23.2 | 0 | 0 | 0 | 121.9 | ||||
| 1620 | K | 23 | Very low | 26.2 | Very low | 193 Ų | 193 | 139.8 Ų | 139.8 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | trans | 84.3 | 153 | 135 | -91.4 | 165.4 | -176.9 | 173.4 | 0 | 123.4 | ||||
| 1621 | V | 25.5 | Very low | 25.8 | Very low | 132 Ų | 132 | 139.2 Ų | 139.2 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | trans | 90.9 | 124.8 | 163 | -165.2 | 0 | 0 | 0 | 0 | 118.1 | V1623 | V1621-V1623 HydrophobicContact CG1-CG2 4.14Š| ||
| 1622 | S | 21.4 | Very low | 26 | Very low | 113 Ų | 113 | 137.9 Ų | 137.9 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | trans | -120.9 | 121.9 | 173.1 | 55.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1623 | V | 26.9 | Very low | 25.7 | Very low | 123 Ų | 123 | 138.7 Ų | 138.7 | 75% | 0.745 | 75% | 0.751 | S | S | * | * | trans | -143.2 | 108.9 | 168.9 | -176.2 | 0 | 0 | 0 | 0 | 111.5 | V1621 | V1621-V1623 HydrophobicContact CG1-CG2 4.14Š| ||
| 1624 | V | 21.8 | Very low | 25.4 | Very low | 124 Ų | 124 | 134 Ų | 134 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | trans | 14.9 | 119.7 | 134.9 | -177.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1625 | H | 25.8 | Very low | 25.2 | Very low | 160 Ų | 160 | 133.3 Ų | 133.3 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | -174.2 | 166.9 | 92.1 | -149.3 | 61.7 | 0 | 0 | 0 | 114.8 | |||||
| 1626 | N | 24.3 | Very low | 25 | Very low | 123 Ų | 123 | 133 Ų | 133 | 66% | 0.658 | 73% | 0.732 | S | S | * | * | trans | -53.9 | 129.7 | -170.5 | -69.6 | -38.6 | 0 | 0 | 0 | 120 | ||||
| 1627 | A | 23.7 | Very low | 24.7 | Very low | 89 Ų | 89 | 133.7 Ų | 133.7 | 74% | 0.736 | 74% | 0.736 | S | S | * | * | 67.3 | 168.6 | 106 | 0 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 1628 | L | 22 | Very low | 24.5 | Very low | 155 Ų | 155 | 138.3 Ų | 138.3 | 81% | 0.812 | 74% | 0.74 | S | S | * | * | trans | 87.5 | 130.6 | 166.9 | -72.6 | 164.7 | 0 | 0 | 0 | 120.1 | ||||
| 1629 | N | 22.5 | Very low | 24.6 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 65% | 0.652 | 73% | 0.725 | S | S | * | * | trans | 86.8 | 85.6 | 143.6 | -70.4 | -1 | 0 | 0 | 0 | 123 | ||||
| 1630 | F | 22 | Very low | 24.3 | Very low | 175 Ų | 175 | 137.8 Ų | 137.8 | 77% | 0.768 | 74% | 0.736 | S | S | * | * | 85.8 | 163.1 | 104.3 | -107.5 | -109 | 0 | 0 | 0 | 120.2 | |||||
| 1631 | F | 23.1 | Very low | 24.4 | Very low | 173 Ų | 173 | 140.4 Ų | 140.4 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | trans | 77 | 140.9 | 166.2 | -80.9 | -71.8 | 0 | 0 | 0 | 120.7 | ||||
| 1632 | N | 29.8 | Very low | 24.3 | Very low | 135 Ų | 135 | 140.3 Ų | 140.3 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | trans | 66.6 | 91 | 155.2 | -61.9 | -22.5 | 0 | 0 | 0 | 119.9 | ||||
| 1633 | R | 23.8 | Very low | 24.4 | Very low | 166 Ų | 166 | 142 Ų | 142 | 63% | 0.626 | 74% | 0.735 | S | S | * | * | 30.7 | 107.5 | 103.4 | -81.3 | -171.5 | 162.4 | -167.5 | -11 | 117.5 | Q696 | Q696-R1633 VanDerWaalsContact OE1-NE 3.09Š| |||
| 1634 | S | 24 | Very low | 24.2 | Very low | 94 Ų | 94 | 144.5 Ų | 144.5 | 66% | 0.657 | 74% | 0.74 | S | S | * | * | 78.3 | 169.1 | 112.3 | 80.3 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 1635 | T | 24.3 | Very low | 24.3 | Very low | 125 Ų | 125 | 146.1 Ų | 146.1 | 77% | 0.767 | 75% | 0.745 | S | S | * | * | trans | 76.6 | 134.7 | 170.6 | 60.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1636 | S | 25.5 | Very low | 24.2 | Very low | 88 Ų | 88 | 147.6 Ų | 147.6 | 62% | 0.615 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 45.5 | 99.3 | -175.3 | 43.6 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1637 | D | 25.8 | Very low | 24.2 | Very low | 150 Ų | 150 | 147.7 Ų | 147.7 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | S | Bend | -153.4 | 27.2 | 68.4 | -99 | -8.8 | 0 | 0 | 0 | 116.3 | I1639 | D1637-I1639 PolarHBondContact O-N 3.08Š| |
| 1638 | F | 24.4 | Very low | 24.2 | Very low | 185 Ų | 185 | 148.9 Ų | 148.9 | 81% | 0.811 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -75.4 | 24 | 165.7 | -154.2 | -102.2 | 0 | 0 | 0 | 113.1 | I1642 | F1638-I1642 HydrophobicContact CE1-CD1 4.28Š|
| 1639 | I | 24.7 | Very low | 24.2 | Very low | 109 Ų | 109 | 149 Ų | 149 | 56% | 0.559 | 75% | 0.748 | S | S | * | * | trans | -119.3 | 86.2 | -175.4 | -56.9 | 178.2 | 0 | 0 | 0 | 108.8 | D1637 | D1637-I1639 PolarHBondContact O-N 3.08Š| ||
| 1640 | N | 26 | Very low | 24.3 | Very low | 159 Ų | 159 | 149.1 Ų | 149.1 | 85% | 0.85 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -171.5 | 9.9 | 155.8 | -101.5 | -42.2 | 0 | 0 | 0 | 114.6 | ||
| 1641 | R | 24.2 | Very low | 24.3 | Very low | 249 Ų | 249 | 149.7 Ų | 149.7 | 94% | 0.94 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -130.7 | 0.7 | 172.2 | -76.8 | -164.9 | 175 | -159.6 | -0.6 | 116 | ||
| 1642 | I | 24.5 | Very low | 24.3 | Very low | 130 Ų | 130 | 148.9 Ų | 148.9 | 67% | 0.667 | 74% | 0.738 | S | S | * | * | trans | -129.1 | 99.5 | 167.8 | -58.4 | 178.5 | 0 | 0 | 0 | 107.2 | F1638 | F1638-I1642 HydrophobicContact CE1-CD1 4.28Š| ||
| 1643 | N | 23.3 | Very low | 24 | Very low | 149 Ų | 149 | 148.1 Ų | 148.1 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | trans | -156.7 | 67.4 | 166.4 | -156.1 | 6.1 | 0 | 0 | 0 | 111.5 | ||||
| 1644 | M | 23 | Very low | 24 | Very low | 174 Ų | 174 | 147.9 Ų | 147.9 | 86% | 0.857 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -174.6 | 81.7 | 160.5 | -99.2 | -58.2 | 176.4 | 0 | 0 | 107.6 | ||
| 1645 | N | 23 | Very low | 23.9 | Very low | 159 Ų | 159 | 148.2 Ų | 148.2 | 85% | 0.85 | 75% | 0.747 | S | S | * | * | trans | 153.3 | 77.2 | 157.7 | -82.8 | -18.9 | 0 | 0 | 0 | 112.5 | ||||
| 1646 | R | 23.9 | Very low | 24 | Very low | 191 Ų | 191 | 146 Ų | 146 | 72% | 0.721 | 73% | 0.734 | S | S | * | * | trans | -155.2 | 51.8 | 150.9 | -143.9 | -175.4 | -164.8 | -163.9 | 7.4 | 113.7 | D698 L1648 | D698-R1646 IonicContact OD2-NH1 3.26Å; D698-R1646 PolarHBondContact OD2-NH1 2.8Å; R1646-L1648 VanDerWaalsContact C-N 3.32Å; R1646-L1648 PolarHBondContact O-N 3.36Å | ||
| 1647 | S | 24.1 | Very low | 23.8 | Very low | 124 Ų | 124 | 145.7 Ų | 145.7 | 87% | 0.867 | 73% | 0.732 | S | S | * | * | trans | -80.8 | 85.8 | 153.5 | 55 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1648 | L | 23.5 | Very low | 23.8 | Very low | 114 Ų | 114 | 142.5 Ų | 142.5 | 60% | 0.597 | 72% | 0.715 | S | S | * | * | trans | -68.5 | 148 | 162.8 | -93.6 | 164.7 | 0 | 0 | 0 | 109 | R1646 | R1646-L1648 VanDerWaalsContact C-N 3.32Å; R1646-L1648 PolarHBondContact O-N 3.36Å | ||
| 1649 | L | 23.8 | Very low | 23.8 | Very low | 158 Ų | 158 | 135.1 Ų | 135.1 | 83% | 0.827 | 69% | 0.686 | S | S | * | * | trans | 45.3 | 85.5 | 152.8 | -64.6 | 161.4 | 0 | 0 | 0 | 115.8 | ||||
| 1650 | D | 23.6 | Very low | 23.9 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 67% | 0.668 | 68% | 0.677 | S | S | * | * | -151.3 | 173.2 | 116.6 | -134.3 | -9.3 | 0 | 0 | 0 | 116.1 | |||||
| 1651 | W | 22.2 | Very low | 23.9 | Very low | 187 Ų | 187 | 128 Ų | 128 | 71% | 0.708 | 65% | 0.652 | S | S | * | * | trans | -74.7 | 156.3 | -155.3 | -80.1 | -54.8 | 0 | 0 | 0 | 120.4 | ||||
| 1652 | R | 24 | Very low | 24.1 | Very low | 155 Ų | 155 | 119.3 Ų | 119.3 | 59% | 0.585 | 63% | 0.628 | S | S | * | * | trans | 33.6 | 108.8 | 130.7 | -54.7 | 161.5 | 167.9 | 144.9 | -10.6 | 117.6 | ||||
| 1653 | S | 22.9 | Very low | 24.2 | Very low | 120 Ų | 120 | 118.6 Ų | 118.6 | 84% | 0.839 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -129.4 | 41.1 | 157.6 | 68.9 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1654 | L | 23.3 | Very low | 24.4 | Very low | 161 Ų | 161 | 116.4 Ų | 116.4 | 84% | 0.843 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -144.2 | 31.5 | 166.1 | -120.8 | 171 | 0 | 0 | 0 | 113.4 | ||
| 1655 | I | 21.6 | Very low | 24.5 | Very low | 101 Ų | 101 | 116.2 Ų | 116.2 | 52% | 0.518 | 62% | 0.62 | S | S | . | * | S | Bend | trans | -125.9 | 118 | 156.2 | -61.3 | 176.8 | 0 | 0 | 0 | 105.9 | S1657 | I1655-S1657 PolarHBondContact O-N 3.48Š|
| 1656 | P | 25.9 | Very low | 24.5 | Very low | 77 Ų | 77 | 115.5 Ų | 115.5 | 50% | 0.5 | 62% | 0.622 | S | S | . | * | trans | -65.4 | 97.4 | 176.1 | -22.7 | 34.6 | 0 | 0 | 0 | 111.4 | K269 | K269-P1656 WeakPolarHBondContact CE-O 3.37Š| ||
| 1657 | S | 22.9 | Very low | 24.6 | Very low | 82 Ų | 82 | 109.7 Ų | 109.7 | 57% | 0.573 | 62% | 0.622 | S | S | * | * | trans | -78.5 | 142.1 | 179.5 | 57.2 | 0 | 0 | 0 | 0 | 112.4 | K269 I1655 | K269-S1657 WeakPolarHBondContact CE-O 3.16Å; I1655-S1657 PolarHBondContact O-N 3.48Å | ||
| 1658 | L | 24.5 | Very low | 24.6 | Very low | 83 Ų | 83 | 115.6 Ų | 115.6 | 44% | 0.435 | 63% | 0.625 | S | S | . | * | trans | -140 | 123.5 | 137.7 | -71 | 178.9 | 0 | 0 | 0 | 105.6 | K269 T270 R1248 T1660 | K269-L1658 HydrophobicContact CB-CD1 4.4Å; K269-L1658 HydrophobicContact CD-CB 3.87Å; K269-L1658 HydrophobicContact CD-CD1 3.57Å; K269-L1658 HydrophobicContact CD-CG 3.48Å; K269-L1658 VanDerWaalsContact CD-CG 3.48Å; T270-L1658 HydrophobicContact CG2-CB 4.48Å; R1248-L1658 VanDerWaalsContact NH2-CB 3.25Å; R1248-L1658 PolarHBondContact NH2-O 2.75Å; L1658-T1660 HydrophobicContact CB-CG2 4.41Å; L1658-T1660 HydrophobicContact CD1-CG2 4.35Å; L1658-T1660 HydrophobicContact CD2-CG2 3.98Å; L1658-T1660 HydrophobicContact CG-CG2 4.48Å | ||
| 1659 | S | 25.8 | Very low | 24.6 | Very low | 30 Ų | 30 | 121.8 Ų | 121.8 | 21% | 0.21 | 64% | 0.64 | C | S | . | * | cis | 60.3 | 77.3 | 7.3 | 177.5 | 0 | 0 | 0 | 0 | 113.8 | S1249 | S1249-S1659 CarbonylContact O-C 3.59Å; S1249-S1659 WeakPolarHBondContact O-CA 3.48Å; S1249-S1659 PolarHBondContact O-OG 3.32Å | ||
| 1660 | T | 26.7 | Very low | 24.6 | Very low | 58 Ų | 58 | 118.3 Ų | 118.3 | 36% | 0.356 | 64% | 0.635 | S | S | . | * | trans | -132.5 | 82.2 | 149.8 | 65.8 | 0 | 0 | 0 | 0 | 111.1 | R1248 L1658 | R1248-T1660 WeakPolarHBondContact CD-OG1 3.21Å; R1248-T1660 PolarHBondContact NH1-OG1 2.77Å; L1658-T1660 HydrophobicContact CB-CG2 4.41Å; L1658-T1660 HydrophobicContact CD1-CG2 4.35Å; L1658-T1660 HydrophobicContact CD2-CG2 3.98Å; L1658-T1660 HydrophobicContact CG-CG2 4.48Å | ||
| 1661 | N | 25.5 | Very low | 24.6 | Very low | 61 Ų | 61 | 118.1 Ų | 118.1 | 33% | 0.326 | 64% | 0.638 | S | S | . | * | 67 | 174.6 | 120.6 | -63.6 | -31 | 0 | 0 | 0 | 119 | R1247 R1248 S1249 A1250 | R1247-N1661 WeakPolarHBondContact CG-O 3.45Å; R1248-N1661 VanDerWaalsContact C-N 3.32Å; R1248-N1661 PolarHBondContact N-O 3.32Å; R1248-N1661 CarbonylContact O-C 3.6Å; R1248-N1661 VanDerWaalsContact O-C 3.27Å; R1248-N1661 VanDerWaalsContact O-CA 3.31Å; R1248-N1661 WeakPolarHBondContact O-CA 3.32Å; R1248-N1661 PolarHBondContact O-N 3.43Å; R1248-N1661 VanDerWaalsContact O-N 3.09Å; S1249-N1661 PolarHBondContact O-N 3.45Å; S1249-N1661 PolarHBondContact O-OD1 3.01Å; A1250-N1661 WeakPolarHBondContact CB-OD1 3.3Å | |||
| 1662 | P | 27.5 | Very low | 24.8 | Very low | 67 Ų | 67 | 114.5 Ų | 114.5 | 44% | 0.435 | 64% | 0.637 | S | S | . | * | cis | -120.3 | 148.2 | -14.6 | 2.9 | 20.9 | 0 | 0 | 0 | 114.4 | R1247 | R1247-P1662 VanDerWaalsContact NH1-CD 3.34Š| ||
| 1663 | T | 27.6 | Very low | 24.8 | Very low | 114 Ų | 114 | 112.1 Ų | 112.1 | 70% | 0.699 | 64% | 0.644 | S | S | * | * | trans | -64.7 | 151.1 | 140.4 | 47.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1664 | P | 27.4 | Very low | 25 | Very low | 104 Ų | 104 | 113.2 Ų | 113.2 | 68% | 0.675 | 64% | 0.64 | S | S | * | * | -150.4 | 146.7 | 101.5 | 37.2 | -20.2 | 0 | 0 | 0 | 116.6 | |||||
| 1665 | Q | 24 | Very low | 25 | Very low | 169 Ų | 169 | 109.9 Ų | 109.9 | 79% | 0.79 | 63% | 0.629 | S | S | * | * | trans | 51.3 | 132.9 | 133.1 | -61.6 | -178.2 | -9.5 | 0 | 0 | 122.6 | ||||
| 1666 | T | 24.9 | Very low | 25.3 | Very low | 144 Ų | 144 | 113.3 Ų | 113.3 | 88% | 0.883 | 64% | 0.641 | S | S | * | * | trans | 66.5 | 150.3 | 151.5 | 58.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 1667 | G | 24.2 | Very low | 25.2 | Very low | 70 Ų | 70 | 114.3 Ų | 114.3 | 72% | 0.722 | 65% | 0.646 | S | S | * | * | cis | 158.3 | 90.5 | -7.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1668 | R | 24.7 | Very low | 25.2 | Very low | 247 Ų | 247 | 114.4 Ų | 114.4 | 93% | 0.932 | 65% | 0.646 | S | S | * | * | trans | 30.2 | 115 | 159.1 | -68.1 | -179.6 | 170.4 | -173.3 | -2.3 | 120.1 | ||||
| 1669 | R | 23.7 | Very low | 25.2 | Very low | 245 Ų | 245 | 114.2 Ų | 114.2 | 93% | 0.925 | 65% | 0.652 | S | S | * | * | trans | 168.8 | 175.8 | 132.9 | -96.6 | 167.2 | 172.1 | 178.3 | -2.8 | 109.6 | ||||
| 1670 | A | 24.4 | Very low | 25.2 | Very low | 85 Ų | 85 | 119.6 Ų | 119.6 | 70% | 0.702 | 68% | 0.678 | S | S | * | * | cis | -160.6 | 162.7 | 15.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1671 | T | 23.5 | Very low | 25 | Very low | 120 Ų | 120 | 123.8 Ų | 123.8 | 74% | 0.736 | 70% | 0.697 | S | S | * | * | cis | -132.7 | -92.5 | -16.4 | -39 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1672 | T | 26.3 | Very low | 24.9 | Very low | 112 Ų | 112 | 125.8 Ų | 125.8 | 69% | 0.687 | 71% | 0.712 | S | S | * | * | cis | -160.5 | 129.9 | -8.2 | 27.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1673 | S | 23.7 | Very low | 24.7 | Very low | 104 Ų | 104 | 129.6 Ų | 129.6 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | trans | 60.4 | 168 | 163 | 45.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1674 | N | 27.5 | Very low | 24.7 | Very low | 143 Ų | 143 | 132.7 Ų | 132.7 | 77% | 0.765 | 74% | 0.735 | S | S | * | * | cis | -173.2 | 158.1 | -34.7 | -87.6 | -10 | 0 | 0 | 0 | 105.8 | ||||
| 1675 | C | 23.3 | Very low | 24.6 | Very low | 91 Ų | 91 | 136.6 Ų | 136.6 | 62% | 0.615 | 74% | 0.744 | S | S | * | * | cis | -161.9 | -158.6 | -21 | -88.1 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 1676 | F | 27.5 | Very low | 24.7 | Very low | 174 Ų | 174 | 131.8 Ų | 131.8 | 76% | 0.763 | 74% | 0.74 | S | S | * | * | cis | -155.5 | 124.5 | 12.2 | -98.1 | -68.3 | 0 | 0 | 0 | 111.8 | ||||
| 1677 | T | 23.3 | Very low | 24.9 | Very low | 98 Ų | 98 | 128.2 Ų | 128.2 | 60% | 0.601 | 73% | 0.732 | S | S | * | * | trans | 40.2 | 127.5 | 139.9 | 57.3 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 1678 | S | 23.3 | Very low | 25 | Very low | 84 Ų | 84 | 135 Ų | 135 | 59% | 0.587 | 74% | 0.737 | S | S | * | * | trans | 71.6 | 146.4 | 135.4 | 70.4 | 0 | 0 | 0 | 0 | 120.8 | N1267 | N1267-S1678 VanDerWaalsContact ND2-CA 3.32Å; N1267-S1678 WeakPolarHBondContact ND2-CA 3.35Å | ||
| 1679 | S | 25.4 | Very low | 25 | Very low | 78 Ų | 78 | 129.9 Ų | 129.9 | 55% | 0.545 | 72% | 0.724 | S | S | . | * | cis | -175.7 | 158.5 | -19.3 | 53.9 | 0 | 0 | 0 | 0 | 112.8 | N1267 | N1267-S1679 WeakPolarHBondContact ND2-CA 3.43Š| ||
| 1680 | N | 25 | Very low | 25.2 | Very low | 144 Ų | 144 | 124.1 Ų | 124.1 | 77% | 0.77 | 72% | 0.715 | S | S | * | * | trans | 97.8 | 127.4 | 149.6 | -76.9 | -15.3 | 0 | 0 | 0 | 123.7 | ||||
| 1681 | L | 22.7 | Very low | 25 | Very low | 145 Ų | 145 | 127 Ų | 127 | 76% | 0.759 | 71% | 0.714 | S | S | * | * | trans | 101.7 | 127.9 | 135 | -77.2 | 162.7 | 0 | 0 | 0 | 123.4 | ||||
| 1682 | T | 22.7 | Very low | 24.9 | Very low | 103 Ų | 103 | 128.4 Ų | 128.4 | 63% | 0.632 | 71% | 0.713 | S | S | * | * | trans | 74.3 | 125.7 | 149.8 | 46.4 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1683 | N | 24.5 | Very low | 24.7 | Very low | 148 Ų | 148 | 129.9 Ų | 129.9 | 79% | 0.791 | 71% | 0.712 | S | S | * | * | trans | 55.9 | 122.8 | 138.5 | -51 | -15 | 0 | 0 | 0 | 117.5 | ||||
| 1684 | Q | 27.4 | Very low | 24.8 | Very low | 178 Ų | 178 | 129.9 Ų | 129.9 | 83% | 0.832 | 70% | 0.704 | S | S | * | * | cis | -149.2 | -178.1 | 41.9 | -73.8 | -179.6 | -22.1 | 0 | 0 | 113.7 | ||||
| 1685 | H | 24.3 | Very low | 24.6 | Very low | 186 Ų | 186 | 131.4 Ų | 131.4 | 86% | 0.861 | 70% | 0.7 | S | S | * | * | trans | -36.7 | 151.1 | 173.1 | -46.9 | -84.5 | 0 | 0 | 0 | 115.7 | ||||
| 1686 | G | 27 | Very low | 24.6 | Very low | 69 Ų | 69 | 135.2 Ų | 135.2 | 71% | 0.711 | 70% | 0.703 | S | S | * | * | cis | 151.4 | 173.2 | 4.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1687 | G | 29.5 | Very low | 24.4 | Very low | 69 Ų | 69 | 136.1 Ų | 136.1 | 71% | 0.711 | 70% | 0.702 | S | S | * | * | cis | -95.3 | 175.3 | -11.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1688 | Y | 25.1 | Very low | 24.7 | Very low | 212 Ų | 212 | 136.2 Ų | 136.2 | 83% | 0.831 | 71% | 0.705 | S | S | * | * | cis | 63.9 | 134.6 | 34 | -70.5 | -106.3 | 0 | 0 | 0 | 113.5 | ||||
| 1689 | H | 25.6 | Very low | 24.8 | Very low | 139 Ų | 139 | 139.5 Ų | 139.5 | 64% | 0.644 | 71% | 0.714 | S | S | * | * | cis | -162.3 | -180 | -19.8 | -140 | -147 | 0 | 0 | 0 | 107.3 | ||||
| 1690 | V | 27.1 | Very low | 25.1 | Very low | 124 Ų | 124 | 141 Ų | 141 | 75% | 0.752 | 72% | 0.722 | S | S | * | * | cis | -139.1 | 167.5 | 22.2 | -162.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1691 | Q | 21.3 | Very low | 25.3 | Very low | 145 Ų | 145 | 139.7 Ų | 139.7 | 68% | 0.678 | 72% | 0.721 | S | S | * | * | trans | -72.2 | 136 | 174.8 | -75.6 | 162.7 | -64.7 | 0 | 0 | 115.4 | ||||
| 1692 | Q | 21.3 | Very low | 25.6 | Very low | 150 Ų | 150 | 137.5 Ų | 137.5 | 70% | 0.701 | 72% | 0.716 | S | S | * | * | 32.7 | 127.1 | 117.7 | -68.6 | -177.5 | -26 | 0 | 0 | 121.8 | |||||
| 1693 | Q | 22.3 | Very low | 25.7 | Very low | 143 Ų | 143 | 143.5 Ų | 143.5 | 67% | 0.668 | 73% | 0.728 | S | S | * | * | 82.9 | 133.5 | 121.7 | -75.3 | -174.7 | 9.9 | 0 | 0 | 123.3 | |||||
| 1694 | N | 24.3 | Very low | 25.9 | Very low | 104 Ų | 104 | 144.7 Ų | 144.7 | 56% | 0.556 | 73% | 0.729 | S | S | * | * | trans | 78.1 | 146.8 | 134.1 | -71.3 | -11.8 | 0 | 0 | 0 | 119.2 | ||||
| 1695 | Y | 23.7 | Very low | 26.3 | Very low | 176 Ų | 176 | 141.4 Ų | 141.4 | 69% | 0.69 | 72% | 0.723 | S | S | * | * | cis | -146.1 | 151.5 | 13.6 | -95.7 | -47.8 | 0 | 0 | 0 | 114.7 | ||||
| 1696 | Y | 23.4 | Very low | 26.3 | Very low | 171 Ų | 171 | 140.6 Ų | 140.6 | 67% | 0.671 | 72% | 0.72 | S | S | * | * | trans | 79.2 | 109.9 | 133 | -79.3 | -158.2 | 0 | 0 | 0 | 124.1 | ||||
| 1697 | Y | 23.5 | Very low | 26.1 | Very low | 193 Ų | 193 | 142.2 Ų | 142.2 | 76% | 0.757 | 72% | 0.72 | S | S | * | * | 62.6 | 171.6 | 111.7 | -82.4 | -48.1 | 0 | 0 | 0 | 121.3 | |||||
| 1698 | P | 29.4 | Very low | 25.8 | Very low | 100 Ų | 100 | 145.7 Ų | 145.7 | 65% | 0.649 | 72% | 0.718 | S | S | * | * | cis | -138.4 | -169.1 | -23.6 | 28.1 | -3.8 | 0 | 0 | 0 | 115.3 | ||||
| 1699 | I | 24.7 | Very low | 25.7 | Very low | 152 Ų | 152 | 146 Ų | 146 | 78% | 0.779 | 72% | 0.718 | S | S | * | * | trans | 83.5 | 101.5 | 153.6 | -43.3 | -169.4 | 0 | 0 | 0 | 121 | ||||
| 1700 | P | 31.6 | Very low | 25.7 | Very low | 111 Ų | 111 | 147 Ų | 147 | 72% | 0.721 | 73% | 0.726 | S | S | * | * | trans | -93.4 | -174.3 | 137.8 | 40.9 | -34.2 | 0 | 0 | 0 | 110.5 | ||||
| 1701 | P | 30.2 | Very low | 25.5 | Very low | 116 Ų | 116 | 146.1 Ų | 146.1 | 75% | 0.753 | 73% | 0.725 | S | S | * | * | cis | -129.6 | -123.6 | 2.4 | 37.5 | -14.4 | 0 | 0 | 0 | 111.5 | ||||
| 1702 | P | 28.9 | Very low | 25.9 | Very low | 99 Ų | 99 | 150.9 Ų | 150.9 | 64% | 0.643 | 74% | 0.737 | S | S | * | * | -101.6 | -179.3 | -78.7 | 39.5 | -26.1 | 0 | 0 | 0 | 113.2 | |||||
| 1703 | Y | 25.3 | Very low | 26.1 | Very low | 228 Ų | 228 | 149.6 Ų | 149.6 | 89% | 0.894 | 74% | 0.739 | S | S | * | * | trans | 174.4 | 153.6 | 137.8 | -103.2 | -68.1 | 0 | 0 | 0 | 113.8 | ||||
| 1704 | Q | 27.8 | Very low | 26.1 | Very low | 173 Ų | 173 | 147.3 Ų | 147.3 | 81% | 0.808 | 74% | 0.739 | S | S | * | * | trans | -136.4 | 165.4 | 155.6 | -88.4 | -167.4 | -2.1 | 0 | 0 | 107.5 | ||||
| 1705 | P | 35.9 | Very low | 26 | Very low | 110 Ų | 110 | 154 Ų | 154 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | cis | -131.2 | 163.4 | -33.5 | 37.9 | -24.2 | 0 | 0 | 0 | 112.1 | ||||
| 1706 | Q | 25.1 | Very low | 26 | Very low | 169 Ų | 169 | 150.9 Ų | 150.9 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | trans | -163.3 | 170.2 | 160.5 | -121.3 | 168.6 | 33 | 0 | 0 | 115.4 | ||||
| 1707 | S | 22 | Very low | 26.2 | Very low | 102 Ų | 102 | 151.5 Ų | 151.5 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | trans | -127.1 | 133.4 | -160.6 | 56.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 1708 | E | 23 | Very low | 26.3 | Very low | 143 Ų | 143 | 148 Ų | 148 | 67% | 0.668 | 77% | 0.771 | S | S | * | * | trans | 53.1 | 111.4 | 144.7 | -62.5 | -146.2 | 100.8 | 0 | 0 | 124.4 | ||||
| 1709 | R | 24.5 | Very low | 26.1 | Very low | 218 Ų | 218 | 148.7 Ų | 148.7 | 82% | 0.823 | 78% | 0.778 | S | S | * | * | 74.2 | 174.5 | 122.1 | -71.3 | -175.9 | 160.8 | 148.1 | -13.5 | 122.1 | |||||
| 1710 | I | 24.1 | Very low | 26.1 | Very low | 161 Ų | 161 | 147.7 Ų | 147.7 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | trans | 98.9 | 135.3 | 162.3 | -58.2 | 172.5 | 0 | 0 | 0 | 116.7 | ||||
| 1711 | S | 24.3 | Very low | 26 | Very low | 104 Ų | 104 | 151 Ų | 151 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | cis | -164.8 | 152.2 | -41.5 | 67.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1712 | R | 28.5 | Very low | 25.8 | Very low | 245 Ų | 245 | 148.6 Ų | 148.6 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | trans | -152.9 | 144.4 | 152.1 | -82 | -161.9 | -174.5 | -173.6 | 3.1 | 108.3 | ||||
| 1713 | V | 25.3 | Very low | 25.5 | Very low | 123 Ų | 123 | 152.5 Ų | 152.5 | 75% | 0.745 | 80% | 0.801 | S | S | * | * | S | Bend | cis | -121.1 | 158.6 | 9.7 | -175.6 | 0 | 0 | 0 | 0 | 110.8 | ||
| 1714 | S | 22.7 | Very low | 25.3 | Very low | 95 Ų | 95 | 147.9 Ų | 147.9 | 66% | 0.664 | 79% | 0.791 | S | S | * | * | trans | 54.8 | 84 | 162.9 | 54 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1715 | W | 22.5 | Very low | 25.1 | Very low | 245 Ų | 245 | 144.6 Ų | 144.6 | 93% | 0.928 | 78% | 0.78 | S | S | * | * | 55.1 | 107.5 | 123.6 | -71.4 | 43.3 | 0 | 0 | 0 | 119.6 | |||||
| 1716 | S | 23.8 | Very low | 24.5 | Very low | 111 Ų | 111 | 144.3 Ų | 144.3 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | 71.8 | 150.3 | 160.6 | 83.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1717 | K | 26.6 | Very low | 24.5 | Very low | 183 Ų | 183 | 142.6 Ų | 142.6 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | cis | -159.7 | 146.1 | 9.6 | -137.6 | 160.4 | -171.6 | 177 | 0 | 110 | ||||
| 1718 | S | 26.3 | Very low | 24.5 | Very low | 121 Ų | 121 | 144.2 Ų | 144.2 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | 54.3 | 132.9 | 159.2 | 47.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 1719 | S | 24.4 | Very low | 24.5 | Very low | 114 Ų | 114 | 142.2 Ų | 142.2 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | -127 | 136.6 | -173 | 52.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1720 | C | 24.9 | Very low | 24.4 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 88% | 0.878 | 77% | 0.771 | S | S | * | * | trans | -147.5 | 94.5 | 175.4 | -70.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1721 | I | 29.3 | Very low | 24.4 | Very low | 180 Ų | 180 | 139.1 Ų | 139.1 | 92% | 0.923 | 77% | 0.768 | S | S | * | * | trans | -152.1 | 137.5 | 158.1 | -51.5 | 179.8 | 0 | 0 | 0 | 106.5 | ||||
| 1722 | G | 26.8 | Very low | 24.4 | Very low | 66 Ų | 66 | 139.6 Ų | 139.6 | 68% | 0.68 | 76% | 0.763 | S | S | * | * | cis | 162.1 | 84.7 | -7.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1723 | M | 22.5 | Very low | 24.2 | Very low | 182 Ų | 182 | 135.3 Ų | 135.3 | 90% | 0.897 | 75% | 0.753 | S | S | * | * | trans | -162.9 | 153.8 | 161.2 | -92.7 | -136.4 | 175.2 | 0 | 0 | 111.2 | ||||
| 1724 | N | 21.8 | Very low | 24 | Very low | 130 Ų | 130 | 134.1 Ų | 134.1 | 70% | 0.695 | 75% | 0.75 | S | S | * | * | trans | 56.4 | 113.7 | 169.3 | -77.5 | -22.1 | 0 | 0 | 0 | 120.3 | ||||
| 1725 | N | 23.2 | Very low | 24 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 56% | 0.561 | 75% | 0.749 | S | S | * | * | 48.5 | 100.5 | 124.6 | -48.7 | -25 | 0 | 0 | 0 | 119.2 | |||||
| 1726 | N | 23 | Very low | 24 | Very low | 104 Ų | 104 | 128.4 Ų | 128.4 | 56% | 0.556 | 73% | 0.734 | S | S | * | * | 169.7 | 129.5 | 97.9 | -84.4 | -38 | 0 | 0 | 0 | 111.6 | N1841 | N1726-N1841 PolarHBondContact ND2-OD1 3.44Š| |||
| 1727 | T | 23.9 | Very low | 24.3 | Very low | 132 Ų | 132 | 129.6 Ų | 129.6 | 81% | 0.81 | 73% | 0.732 | S | S | * | * | trans | -171.8 | 118 | 139 | 26.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1728 | D | 22.3 | Very low | 24.4 | Very low | 137 Ų | 137 | 125.7 Ų | 125.7 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | trans | 29.4 | 123.2 | 133.3 | -59.1 | -51.7 | 0 | 0 | 0 | 122.1 | ||||
| 1729 | S | 22.6 | Very low | 24.7 | Very low | 101 Ų | 101 | 125.4 Ų | 125.4 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | 94.3 | 142.7 | 119.9 | 72.9 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 1730 | T | 24.2 | Very low | 24.8 | Very low | 118 Ų | 118 | 127.7 Ų | 127.7 | 72% | 0.724 | 71% | 0.71 | S | S | * | * | trans | 51.3 | 100.2 | 149.8 | 43.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1731 | Y | 23 | Very low | 25 | Very low | 196 Ų | 196 | 127.6 Ų | 127.6 | 77% | 0.769 | 71% | 0.706 | S | S | * | * | 59.5 | 112 | 120.7 | -90.6 | -93.6 | 0 | 0 | 0 | 121 | |||||
| 1732 | N | 23.8 | Very low | 25 | Very low | 113 Ų | 113 | 125.7 Ų | 125.7 | 60% | 0.604 | 70% | 0.697 | S | S | * | * | trans | 70 | 128 | 133.1 | -76.4 | 27.1 | 0 | 0 | 0 | 122.4 | ||||
| 1733 | Q | 24.3 | Very low | 25.2 | Very low | 156 Ų | 156 | 127.6 Ų | 127.6 | 73% | 0.729 | 70% | 0.696 | S | S | * | * | trans | 70.9 | 79 | 130.7 | -66.4 | 171.4 | -48.3 | 0 | 0 | 119 | ||||
| 1734 | S | 22.1 | Very low | 25.5 | Very low | 97 Ų | 97 | 126.8 Ų | 126.8 | 68% | 0.678 | 69% | 0.689 | S | S | * | * | 73.1 | 158.9 | 103 | 71.8 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 1735 | T | 22.7 | Very low | 25.8 | Very low | 106 Ų | 106 | 129 Ų | 129 | 65% | 0.65 | 69% | 0.693 | S | S | * | * | trans | 75.5 | 103.9 | 149.5 | 41.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1736 | D | 23.3 | Very low | 26.2 | Very low | 114 Ų | 114 | 130.9 Ų | 130.9 | 61% | 0.61 | 70% | 0.702 | S | S | * | * | 78.2 | 128.8 | 123.1 | -49.5 | -18 | 0 | 0 | 0 | 121.4 | I1738 | D1736-I1738 HydrophobicContact CB-CD1 4.39Š| |||
| 1737 | N | 28.9 | Very low | 26.4 | Very low | 137 Ų | 137 | 130 Ų | 130 | 73% | 0.733 | 70% | 0.704 | S | S | * | * | -173.2 | 142.8 | 81.5 | -88.1 | -82.6 | 0 | 0 | 0 | 108.7 | |||||
| 1738 | I | 28.2 | Very low | 26.5 | Very low | 100 Ų | 100 | 130.7 Ų | 130.7 | 51% | 0.513 | 70% | 0.703 | S | S | . | * | cis | 74.1 | 108.3 | 42.1 | -57.3 | 170.2 | 0 | 0 | 0 | 111.5 | D1736 F1740 | D1736-I1738 HydrophobicContact CB-CD1 4.39Å; I1738-F1740 HydrophobicContact CG2-CD1 3.87Å; I1738-F1740 HydrophobicContact CG2-CE1 3.44Å; I1738-F1740 VanDerWaalsContact CG2-CE1 3.44Å; I1738-F1740 HydrophobicContact CG2-CE2 4.14Å; I1738-F1740 HydrophobicContact CG2-CG 4.37Å; I1738-F1740 HydrophobicContact CG2-CZ 3.59Å | ||
| 1739 | P | 34.3 | Very low | 26.6 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 75% | 0.753 | 70% | 0.7 | S | S | * | * | -149.3 | 179.7 | 96.7 | 38.3 | -20.9 | 0 | 0 | 0 | 114.3 | |||||
| 1740 | F | 25.7 | Very low | 26.7 | Very low | 162 Ų | 162 | 130 Ų | 130 | 71% | 0.711 | 70% | 0.704 | S | S | * | * | cis | -167.4 | 172.6 | -38.9 | -94.3 | -45.1 | 0 | 0 | 0 | 109.5 | I1738 | I1738-F1740 HydrophobicContact CG2-CD1 3.87Å; I1738-F1740 HydrophobicContact CG2-CE1 3.44Å; I1738-F1740 VanDerWaalsContact CG2-CE1 3.44Å; I1738-F1740 HydrophobicContact CG2-CE2 4.14Å; I1738-F1740 HydrophobicContact CG2-CG 4.37Å; I1738-F1740 HydrophobicContact CG2-CZ 3.59Å | ||
| 1741 | T | 29.4 | Very low | 26.8 | Very low | 128 Ų | 128 | 133.8 Ų | 133.8 | 79% | 0.785 | 71% | 0.706 | S | S | * | * | trans | 79.3 | 146.9 | 168.1 | 81 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1742 | N | 28.1 | Very low | 26.9 | Very low | 139 Ų | 139 | 130.4 Ų | 130.4 | 74% | 0.743 | 70% | 0.7 | S | S | * | * | cis | -151.7 | 171.1 | 7.3 | -142.1 | -15.3 | 0 | 0 | 0 | 115.6 | ||||
| 1743 | T | 31 | Very low | 27.1 | Very low | 106 Ų | 106 | 129.7 Ų | 129.7 | 65% | 0.65 | 70% | 0.7 | S | S | * | * | trans | 73.1 | 116.9 | 165.6 | 58.1 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1744 | H | 29.1 | Very low | 27.6 | Very low | 165 Ų | 165 | 129 Ų | 129 | 76% | 0.764 | 70% | 0.701 | S | S | * | * | trans | 55.6 | 143.7 | 139 | -63.6 | -47.5 | 0 | 0 | 0 | 121.5 | ||||
| 1745 | K | 28.9 | Very low | 28.2 | Very low | 176 Ų | 176 | 129.7 Ų | 129.7 | 77% | 0.765 | 70% | 0.703 | S | S | * | * | cis | -148.9 | 132.3 | -2.6 | -108.1 | 173.7 | 175.6 | -176.7 | 0 | 106.5 | ||||
| 1746 | L | 30.6 | Very low | 28.3 | Very low | 146 Ų | 146 | 131.8 Ų | 131.8 | 76% | 0.764 | 71% | 0.709 | S | S | * | * | 74.3 | 131.2 | 84.4 | -107.7 | 171.5 | 0 | 0 | 0 | 116.4 | |||||
| 1747 | S | 28 | Very low | 28.4 | Very low | 85 Ų | 85 | 132.6 Ų | 132.6 | 59% | 0.594 | 71% | 0.713 | S | S | * | * | trans | 62.9 | 125.6 | 150.3 | 55.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1748 | D | 26.3 | Very low | 28.3 | Very low | 146 Ų | 146 | 129.2 Ų | 129.2 | 78% | 0.781 | 71% | 0.711 | S | S | * | * | 69.4 | 93.4 | 129.1 | -52.9 | -9.7 | 0 | 0 | 0 | 120.2 | |||||
| 1749 | S | 23.7 | Very low | 28.4 | Very low | 96 Ų | 96 | 131.3 Ų | 131.3 | 67% | 0.671 | 72% | 0.722 | S | S | * | * | 40.2 | 136 | 113.9 | 68.6 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 1750 | V | 25.2 | Very low | 28 | Very low | 129 Ų | 129 | 132.9 Ų | 132.9 | 78% | 0.782 | 72% | 0.723 | S | S | * | * | trans | 74.2 | 126.1 | 144 | 168.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 1751 | Y | 27.1 | Very low | 28.1 | Very low | 197 Ų | 197 | 132.2 Ų | 132.2 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | cis | -165.6 | 173.4 | -12 | -130.7 | -150.7 | 0 | 0 | 0 | 109.3 | ||||
| 1752 | L | 24.6 | Very low | 27.9 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 65% | 0.654 | 72% | 0.723 | S | S | * | * | trans | 14.3 | 112.6 | 145.7 | -96.8 | 81.8 | 0 | 0 | 0 | 119.8 | ||||
| 1753 | T | 26.7 | Very low | 27.7 | Very low | 98 Ų | 98 | 132.6 Ų | 132.6 | 60% | 0.601 | 72% | 0.72 | S | S | * | * | 84.4 | 167.4 | 98.3 | 59.4 | 0 | 0 | 0 | 0 | 118 | |||||
| 1754 | N | 36.3 | Very low | 27.3 | Very low | 141 Ų | 141 | 133.6 Ų | 133.6 | 75% | 0.754 | 72% | 0.722 | S | S | * | * | trans | 71.7 | 175 | 164.4 | -49.4 | -31.3 | 0 | 0 | 0 | 114.1 | ||||
| 1755 | P | 33.2 | Very low | 27.1 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 72% | 0.721 | 72% | 0.724 | S | S | * | * | -144.9 | -177.8 | 78.3 | 37.4 | -18 | 0 | 0 | 0 | 115.2 | |||||
| 1756 | I | 25.8 | Very low | 26.9 | Very low | 151 Ų | 151 | 134.5 Ų | 134.5 | 77% | 0.774 | 72% | 0.721 | S | S | * | * | trans | 71.6 | 122.4 | 166.1 | -45.2 | 176.5 | 0 | 0 | 0 | 115.3 | ||||
| 1757 | N | 24.8 | Very low | 26.5 | Very low | 130 Ų | 130 | 130.7 Ų | 130.7 | 70% | 0.695 | 71% | 0.707 | S | S | * | * | cis | -86.5 | 159.8 | -7.8 | -70.3 | -65 | 0 | 0 | 0 | 110.4 | ||||
| 1758 | G | 27.9 | Very low | 26.4 | Very low | 66 Ų | 66 | 135.1 Ų | 135.1 | 68% | 0.68 | 72% | 0.716 | S | S | * | * | cis | 92.9 | 145.2 | 27.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1759 | I | 29.5 | Very low | 26.4 | Very low | 144 Ų | 144 | 133.3 Ų | 133.3 | 74% | 0.738 | 71% | 0.706 | S | S | * | * | cis | -165.7 | 156.7 | 12.5 | -127.8 | 163.1 | 0 | 0 | 0 | 110.1 | ||||
| 1760 | L | 26.6 | Very low | 26.3 | Very low | 149 Ų | 149 | 134.3 Ų | 134.3 | 78% | 0.78 | 70% | 0.704 | S | S | * | * | trans | 69 | 155.4 | 159.7 | -84.7 | 170.9 | 0 | 0 | 0 | 123 | ||||
| 1761 | L | 28 | Very low | 26.3 | Very low | 149 Ų | 149 | 138.3 Ų | 138.3 | 78% | 0.78 | 71% | 0.707 | S | S | * | * | trans | 61.8 | 120.4 | 162.2 | -63.6 | 166.3 | 0 | 0 | 0 | 118.8 | ||||
| 1762 | N | 23.8 | Very low | 26.1 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 72% | 0.717 | 70% | 0.701 | S | S | * | * | cis | 88.6 | 128.2 | 15.5 | -154.7 | 32.5 | 0 | 0 | 0 | 116.8 | ||||
| 1763 | M | 24.6 | Very low | 26.1 | Very low | 140 Ų | 140 | 136.2 Ų | 136.2 | 69% | 0.69 | 71% | 0.706 | S | S | * | * | trans | 67.2 | 109.1 | 164.1 | -65.7 | -63.2 | -144.7 | 0 | 0 | 122.1 | ||||
| 1764 | N | 21.8 | Very low | 26 | Very low | 127 Ų | 127 | 137.3 Ų | 137.3 | 68% | 0.679 | 71% | 0.708 | S | S | * | * | 58 | 152.4 | 123.6 | -66.5 | -15.2 | 0 | 0 | 0 | 123.8 | |||||
| 1765 | Y | 25.2 | Very low | 25.6 | Very low | 206 Ų | 206 | 136 Ų | 136 | 81% | 0.808 | 71% | 0.711 | S | S | * | * | trans | 73.6 | 133.2 | 176.5 | -55.1 | -75.4 | 0 | 0 | 0 | 115 | ||||
| 1766 | H | 25.6 | Very low | 25.1 | Very low | 154 Ų | 154 | 138.2 Ų | 138.2 | 71% | 0.713 | 72% | 0.716 | S | S | * | * | cis | -143.7 | 167.3 | 3 | -130.5 | -66.1 | 0 | 0 | 0 | 112.9 | ||||
| 1767 | S | 21.2 | Very low | 25.2 | Very low | 66 Ų | 66 | 134.8 Ų | 134.8 | 46% | 0.462 | 72% | 0.718 | S | S | . | * | trans | -48.4 | 161.3 | 163.6 | 50.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1768 | F | 26.4 | Very low | 25.1 | Very low | 179 Ų | 179 | 134.8 Ų | 134.8 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | -151.9 | 150.9 | 52.8 | -86.4 | -101.1 | 0 | 0 | 0 | 111.7 | |||||
| 1769 | D | 26.3 | Very low | 25.2 | Very low | 108 Ų | 108 | 139.7 Ų | 139.7 | 58% | 0.578 | 72% | 0.723 | S | S | * | * | cis | -154 | 167.6 | -13.2 | -148.2 | -7.8 | 0 | 0 | 0 | 112.1 | ||||
| 1770 | N | 21.1 | Very low | 24.9 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 63% | 0.626 | 72% | 0.724 | S | S | * | * | trans | -80 | 162.4 | 166 | -70 | -92.8 | 0 | 0 | 0 | 111 | ||||
| 1771 | Y | 25.9 | Very low | 24.9 | Very low | 213 Ų | 213 | 140.3 Ų | 140.3 | 84% | 0.835 | 72% | 0.723 | S | S | * | * | -151.3 | 103.6 | 121.9 | -105.2 | -67.8 | 0 | 0 | 0 | 112 | |||||
| 1772 | N | 21.7 | Very low | 24.8 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 65% | 0.647 | 71% | 0.714 | S | S | * | * | trans | -76.3 | 133.8 | 160.1 | -91.8 | -47.8 | 0 | 0 | 0 | 109.8 | ||||
| 1773 | M | 25.8 | Very low | 24.8 | Very low | 157 Ų | 157 | 142.2 Ų | 142.2 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | trans | -149.4 | 117.8 | 136.6 | -76.9 | -52.7 | 161.8 | 0 | 0 | 107.5 | ||||
| 1774 | N | 23.5 | Very low | 24.7 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 64% | 0.642 | 72% | 0.72 | S | S | * | * | 75.1 | 93 | 63.6 | -76.1 | -35.8 | 0 | 0 | 0 | 115.2 | |||||
| 1775 | S | 27.9 | Very low | 24.7 | Very low | 115 Ų | 115 | 146.1 Ų | 146.1 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | 176.8 | 108.2 | 126.1 | 31.1 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 1776 | N | 23 | Very low | 25 | Very low | 156 Ų | 156 | 142.2 Ų | 142.2 | 83% | 0.834 | 73% | 0.727 | S | S | * | * | 48.9 | 105 | 59.7 | -81.8 | -10.1 | 0 | 0 | 0 | 113.9 | |||||
| 1777 | G | 28.1 | Very low | 24.9 | Very low | 79 Ų | 79 | 143.5 Ų | 143.5 | 81% | 0.814 | 73% | 0.733 | S | S | * | * | trans | -160.6 | 85 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1778 | N | 24.1 | Very low | 25 | Very low | 131 Ų | 131 | 146.1 Ų | 146.1 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | trans | -67.5 | 151 | -179.5 | -62.5 | -56.3 | 0 | 0 | 0 | 111.9 | ||||
| 1779 | H | 28.3 | Very low | 24.9 | Very low | 169 Ų | 169 | 144 Ų | 144 | 78% | 0.782 | 74% | 0.743 | S | S | * | * | -171.8 | 173.6 | 95.7 | -96.6 | -62.8 | 0 | 0 | 0 | 114.3 | |||||
| 1780 | Q | 23.5 | Very low | 24.9 | Very low | 160 Ų | 160 | 146.5 Ų | 146.5 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | -100.7 | -154.8 | -167.1 | -55.8 | 159.2 | -48.4 | 0 | 0 | 110.8 | ||||
| 1781 | L | 26.1 | Very low | 25.3 | Very low | 145 Ų | 145 | 145.1 Ų | 145.1 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | trans | 91.7 | 136.5 | 159.5 | -49.1 | -178.2 | 0 | 0 | 0 | 116.1 | ||||
| 1782 | I | 26.1 | Very low | 25.3 | Very low | 117 Ų | 117 | 139.8 Ų | 139.8 | 60% | 0.6 | 76% | 0.755 | S | S | * | * | cis | -164.7 | 151.2 | -21.3 | -140.2 | -178.8 | 0 | 0 | 0 | 111.3 | ||||
| 1783 | R | 24.9 | Very low | 25.6 | Very low | 207 Ų | 207 | 141 Ų | 141 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | trans | 60.4 | 144.1 | 163.9 | -63.1 | 167.6 | -167.3 | 171.1 | 3.5 | 117.6 | ||||
| 1784 | Q | 21.8 | Very low | 25.6 | Very low | 161 Ų | 161 | 138 Ų | 138 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | cis | 91.9 | 103.3 | 26.6 | -74.6 | -167.6 | -25.7 | 0 | 0 | 117.3 | ||||
| 1785 | F | 22.4 | Very low | 25.6 | Very low | 188 Ų | 188 | 138.7 Ų | 138.7 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | trans | 61.9 | 165.4 | 146.7 | -64.8 | -66.9 | 0 | 0 | 0 | 119.3 | ||||
| 1786 | P | 31.2 | Very low | 25.5 | Very low | 123 Ų | 123 | 140.2 Ų | 140.2 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | cis | -125.4 | -145.4 | 1 | 42.9 | -25.6 | 0 | 0 | 0 | 114.4 | ||||
| 1787 | Q | 23.7 | Very low | 25.5 | Very low | 181 Ų | 181 | 136.8 Ų | 136.8 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | trans | -87.6 | 176 | -166.6 | -59.2 | 167.7 | -47.4 | 0 | 0 | 116.1 | ||||
| 1788 | V | 23.3 | Very low | 25.2 | Very low | 122 Ų | 122 | 139.7 Ų | 139.7 | 74% | 0.739 | 75% | 0.748 | S | S | * | * | trans | 115.6 | 107.9 | 147.3 | -173.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1789 | N | 24.6 | Very low | 25.2 | Very low | 135 Ų | 135 | 140.3 Ų | 140.3 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | trans | 8.2 | 136.2 | 145.7 | -43.3 | -10.8 | 0 | 0 | 0 | 120.7 | ||||
| 1790 | N | 26.6 | Very low | 24.8 | Very low | 160 Ų | 160 | 141.5 Ų | 141.5 | 86% | 0.856 | 75% | 0.75 | S | S | * | * | -178.8 | 123.9 | 95.7 | -96.9 | -22.6 | 0 | 0 | 0 | 115 | |||||
| 1791 | A | 28.6 | Very low | 24.7 | Very low | 87 Ų | 87 | 140 Ų | 140 | 72% | 0.719 | 74% | 0.743 | S | S | * | * | trans | 161.2 | 107.4 | 140.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1792 | S | 26.1 | Very low | 24.5 | Very low | 101 Ų | 101 | 141.6 Ų | 141.6 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | 59.4 | 119.6 | 59.1 | 80.1 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1793 | N | 27 | Very low | 24.3 | Very low | 146 Ų | 146 | 142.1 Ų | 142.1 | 78% | 0.781 | 74% | 0.739 | S | S | * | * | cis | -120.9 | 147.3 | 24.8 | -64.4 | -19.3 | 0 | 0 | 0 | 112 | ||||
| 1794 | S | 26.4 | Very low | 24.1 | Very low | 94 Ų | 94 | 140.8 Ų | 140.8 | 66% | 0.657 | 74% | 0.735 | S | S | * | * | cis | 86.6 | 133.6 | 24.8 | 87.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1795 | V | 24.3 | Very low | 24.2 | Very low | 135 Ų | 135 | 140 Ų | 140 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | cis | -174.4 | -171.5 | -14.2 | 102.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1796 | L | 24.9 | Very low | 24.2 | Very low | 148 Ų | 148 | 135.3 Ų | 135.3 | 78% | 0.775 | 72% | 0.722 | S | S | * | * | trans | 79.3 | 92.4 | 166.5 | -76.6 | 160.8 | 0 | 0 | 0 | 120.6 | ||||
| 1797 | S | 22.7 | Very low | 23.8 | Very low | 84 Ų | 84 | 134.7 Ų | 134.7 | 59% | 0.587 | 72% | 0.72 | S | S | * | * | 39 | 140.3 | 113.9 | 70.4 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 1798 | N | 22 | Very low | 23.8 | Very low | 140 Ų | 140 | 129.8 Ų | 129.8 | 75% | 0.749 | 71% | 0.711 | S | S | * | * | trans | 29.6 | 116.6 | 131.7 | -51.5 | 1.6 | 0 | 0 | 0 | 119.4 | ||||
| 1799 | N | 24.1 | Very low | 23.9 | Very low | 143 Ų | 143 | 130.3 Ų | 130.3 | 77% | 0.765 | 71% | 0.709 | S | S | * | * | -174 | 154.9 | 93.9 | -99 | -27.7 | 0 | 0 | 0 | 114.6 | |||||
| 1800 | Y | 20.9 | Very low | 23.8 | Very low | 195 Ų | 195 | 131.3 Ų | 131.3 | 77% | 0.765 | 71% | 0.71 | S | S | * | * | trans | 14.6 | 137.9 | 150.3 | -81.2 | -104 | 0 | 0 | 0 | 122.5 | ||||
| 1801 | E | 21.3 | Very low | 23.7 | Very low | 129 Ų | 129 | 128.6 Ų | 128.6 | 60% | 0.603 | 70% | 0.698 | S | S | * | * | trans | 84.4 | 109.2 | 137.3 | -86.3 | -179.1 | 135.1 | 0 | 0 | 122.5 | ||||
| 1802 | R | 21.8 | Very low | 23.4 | Very low | 178 Ų | 178 | 130.9 Ų | 130.9 | 67% | 0.672 | 70% | 0.699 | S | S | * | * | 72.1 | 125.2 | 118.2 | -91.6 | -159.8 | -90.8 | -167.9 | -2.7 | 120.4 | |||||
| 1803 | E | 20.7 | Very low | 23.3 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 60% | 0.598 | 70% | 0.697 | S | S | * | * | 52.1 | 129.2 | 122.2 | -70.6 | 166 | -160.6 | 0 | 0 | 117.9 | |||||
| 1804 | Y | 22 | Very low | 23.2 | Very low | 178 Ų | 178 | 128.3 Ų | 128.3 | 70% | 0.698 | 69% | 0.687 | S | S | * | * | cis | 178.6 | 173.3 | 33.9 | -120.9 | -43 | 0 | 0 | 0 | 109.1 | ||||
| 1805 | H | 23 | Very low | 23.2 | Very low | 145 Ų | 145 | 130.8 Ų | 130.8 | 67% | 0.671 | 69% | 0.693 | S | S | * | * | trans | 47.7 | 92.4 | 151.3 | -71.1 | -60.7 | 0 | 0 | 0 | 120.2 | ||||
| 1806 | S | 22.3 | Very low | 23.4 | Very low | 90 Ų | 90 | 129.4 Ų | 129.4 | 63% | 0.629 | 69% | 0.69 | S | S | * | * | 75.3 | 154.3 | 67.8 | 77.3 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 1807 | S | 22.9 | Very low | 23.3 | Very low | 109 Ų | 109 | 129 Ų | 129 | 76% | 0.762 | 69% | 0.687 | S | S | * | * | trans | 95 | 167.8 | 143.1 | 83.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1808 | A | 23.6 | Very low | 23.4 | Very low | 79 Ų | 79 | 132.3 Ų | 132.3 | 65% | 0.653 | 69% | 0.691 | S | S | * | * | trans | 62.3 | 120.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1809 | N | 25.9 | Very low | 23.6 | Very low | 132 Ų | 132 | 130.1 Ų | 130.1 | 71% | 0.706 | 68% | 0.679 | S | S | * | * | cis | -176.5 | 169.5 | 27.3 | -106.5 | -0.7 | 0 | 0 | 0 | 106.7 | ||||
| 1810 | Q | 23.7 | Very low | 23.6 | Very low | 157 Ų | 157 | 129.4 Ų | 129.4 | 73% | 0.734 | 67% | 0.673 | S | S | * | * | cis | 179 | 168.5 | -12.7 | -114.8 | 178.7 | -17.6 | 0 | 0 | 104.8 | ||||
| 1811 | V | 22.9 | Very low | 23.6 | Very low | 102 Ų | 102 | 129.6 Ų | 129.6 | 62% | 0.618 | 67% | 0.673 | S | S | * | * | cis | -166.8 | 175.2 | -5.7 | 64.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1812 | D | 23.9 | Very low | 23.7 | Very low | 135 Ų | 135 | 129.9 Ų | 129.9 | 72% | 0.722 | 68% | 0.677 | S | S | * | * | trans | 70.8 | 147.8 | 152.9 | -80.3 | -3.1 | 0 | 0 | 0 | 121.7 | ||||
| 1813 | V | 24 | Very low | 23.7 | Very low | 111 Ų | 111 | 127.7 Ų | 127.7 | 67% | 0.673 | 68% | 0.679 | S | S | * | * | cis | -157.3 | 148.9 | -17 | 82.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1814 | S | 23 | Very low | 23.9 | Very low | 83 Ų | 83 | 127.8 Ų | 127.8 | 58% | 0.58 | 69% | 0.687 | S | S | * | * | trans | 73.1 | 152 | 150.7 | 80 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1815 | N | 27.7 | Very low | 24 | Very low | 145 Ų | 145 | 123.9 Ų | 123.9 | 78% | 0.775 | 69% | 0.692 | S | S | * | * | trans | 65.7 | 122.2 | 153.5 | -57.4 | -28.6 | 0 | 0 | 0 | 118.6 | ||||
| 1816 | S | 28.5 | Very low | 24 | Very low | 107 Ų | 107 | 120.3 Ų | 120.3 | 75% | 0.748 | 70% | 0.695 | S | S | * | * | cis | -136.8 | 145.7 | -1.6 | 67.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1817 | L | 23.3 | Very low | 24.4 | Very low | 138 Ų | 138 | 121.6 Ų | 121.6 | 72% | 0.723 | 70% | 0.701 | S | S | * | * | 51 | 124.1 | 67.5 | -74.6 | 167.7 | 0 | 0 | 0 | 111 | |||||
| 1818 | K | 23.7 | Very low | 24.4 | Very low | 154 Ų | 154 | 123.5 Ų | 123.5 | 67% | 0.67 | 70% | 0.702 | S | S | * | * | cis | -150.4 | 157.6 | 28.9 | -119.2 | -177.7 | 154.5 | -72.3 | 0 | 115.1 | ||||
| 1819 | D | 27.4 | Very low | 24.4 | Very low | 94 Ų | 94 | 127.3 Ų | 127.3 | 50% | 0.503 | 71% | 0.71 | S | S | . | * | trans | 61 | 114.2 | 152.8 | -50.5 | -25.6 | 0 | 0 | 0 | 118.7 | ||||
| 1820 | M | 22.8 | Very low | 24.3 | Very low | 128 Ų | 128 | 126.7 Ų | 126.7 | 63% | 0.631 | 71% | 0.711 | S | S | * | * | cis | 74.6 | 142.5 | 43.8 | -57.8 | -169.1 | -63 | 0 | 0 | 113.4 | ||||
| 1821 | W | 21 | Very low | 24.3 | Very low | 200 Ų | 200 | 122.8 Ų | 122.8 | 76% | 0.758 | 71% | 0.713 | S | S | * | * | cis | -153.4 | -161.5 | -11.4 | -96.4 | -16.4 | 0 | 0 | 0 | 106.2 | ||||
| 1822 | I | 24.5 | Very low | 24.3 | Very low | 134 Ų | 134 | 125 Ų | 125 | 69% | 0.687 | 72% | 0.722 | S | S | * | * | cis | -143.8 | 145 | 10.6 | -60.8 | 167.2 | 0 | 0 | 0 | 106.4 | V1824 | I1822-V1824 HydrophobicContact CG2-CG2 4.04Š| ||
| 1823 | N | 21.8 | Very low | 24.4 | Very low | 133 Ų | 133 | 124.3 Ų | 124.3 | 71% | 0.711 | 72% | 0.722 | S | S | * | * | cis | 89.7 | 33.2 | 18.3 | -58.8 | -6.7 | 0 | 0 | 0 | 118.6 | ||||
| 1824 | V | 24.8 | Very low | 24.5 | Very low | 129 Ų | 129 | 125 Ų | 125 | 78% | 0.782 | 72% | 0.721 | S | S | * | * | trans | -102.3 | 107.9 | 157.4 | -176.6 | 0 | 0 | 0 | 0 | 106.2 | I1822 | I1822-V1824 HydrophobicContact CG2-CG2 4.04Š| ||
| 1825 | A | 24 | Very low | 24.6 | Very low | 97 Ų | 97 | 130.1 Ų | 130.1 | 80% | 0.802 | 73% | 0.728 | S | S | * | * | 62.7 | 146.3 | 77.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1826 | G | 23.2 | Very low | 24.5 | Very low | 70 Ų | 70 | 132.5 Ų | 132.5 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | cis | -175.7 | 140.3 | -5.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1827 | P | 29.8 | Very low | 24.4 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 76% | 0.76 | 72% | 0.724 | S | S | * | * | trans | -96.5 | 175.7 | -178.7 | 39.1 | -36.4 | 0 | 0 | 0 | 113.1 | ||||
| 1828 | L | 22.5 | Very low | 24.4 | Very low | 149 Ų | 149 | 132 Ų | 132 | 78% | 0.78 | 72% | 0.722 | S | S | * | * | trans | 73.2 | 127.5 | 168.1 | -54.9 | 167.4 | 0 | 0 | 0 | 117.2 | ||||
| 1829 | L | 24.6 | Very low | 25 | Very low | 159 Ų | 159 | 130.3 Ų | 130.3 | 83% | 0.832 | 73% | 0.727 | S | S | * | * | -168 | 109.8 | 101.9 | -88.2 | 167.1 | 0 | 0 | 0 | 106.5 | |||||
| 1830 | V | 22.5 | Very low | 24.9 | Very low | 118 Ų | 118 | 129.4 Ų | 129.4 | 72% | 0.715 | 73% | 0.732 | S | S | * | * | 80 | 124.3 | 77.6 | 167.1 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1831 | G | 24.4 | Very low | 25.1 | Very low | 76 Ų | 76 | 128.6 Ų | 128.6 | 78% | 0.784 | 73% | 0.731 | S | S | * | * | trans | -178.7 | 44.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1832 | D | 23.1 | Very low | 25.3 | Very low | 149 Ų | 149 | 125.5 Ų | 125.5 | 80% | 0.797 | 73% | 0.734 | S | S | * | * | trans | -59 | 159.5 | 174.5 | -94.8 | -66.7 | 0 | 0 | 0 | 113.2 | ||||
| 1833 | V | 25.1 | Very low | 25.4 | Very low | 119 Ų | 119 | 131 Ų | 131 | 72% | 0.721 | 75% | 0.746 | S | S | * | * | 167.4 | 118.2 | 122.5 | 154.4 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1834 | N | 26.6 | Very low | 25.6 | Very low | 125 Ų | 125 | 130.7 Ų | 130.7 | 67% | 0.668 | 75% | 0.749 | S | S | * | * | trans | 63.4 | 148.3 | 154.3 | -73.3 | -26.3 | 0 | 0 | 0 | 120.7 | ||||
| 1835 | R | 24.5 | Very low | 25.7 | Very low | 192 Ų | 192 | 131.3 Ų | 131.3 | 73% | 0.725 | 75% | 0.747 | S | S | * | * | cis | -171.1 | 149.4 | -23.2 | -123.8 | 176.8 | -169.8 | -179.9 | 2 | 111 | ||||
| 1836 | R | 25.9 | Very low | 25.7 | Very low | 194 Ų | 194 | 135 Ų | 135 | 73% | 0.732 | 75% | 0.747 | S | S | * | * | trans | 83.8 | 117.9 | 148.2 | -70.8 | 176.3 | 178.5 | -162.3 | -1.2 | 123.3 | ||||
| 1837 | I | 26.5 | Very low | 25.8 | Very low | 136 Ų | 136 | 138.2 Ų | 138.2 | 70% | 0.697 | 75% | 0.747 | S | S | * | * | 73.3 | 96.8 | 128.5 | -58.8 | 167.9 | 0 | 0 | 0 | 117.3 | |||||
| 1838 | S | 24.6 | Very low | 25.4 | Very low | 98 Ų | 98 | 141.2 Ų | 141.2 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | 65.5 | 151.9 | 62.9 | 82.4 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 1839 | P | 35.1 | Very low | 25.5 | Very low | 120 Ų | 120 | 142.1 Ų | 142.1 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | cis | -143.7 | 169.6 | -30 | 37.9 | -20.3 | 0 | 0 | 0 | 115.6 | ||||
| 1840 | A | 24.9 | Very low | 25.5 | Very low | 74 Ų | 74 | 140.3 Ų | 140.3 | 61% | 0.612 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -161 | 145.6 | 145.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 1841 | N | 26.9 | Very low | 25.5 | Very low | 112 Ų | 112 | 142.4 Ų | 142.4 | 60% | 0.599 | 76% | 0.757 | S | S | * | * | trans | 59 | 78.2 | 165.1 | -66.3 | 1.1 | 0 | 0 | 0 | 119.7 | N1726 | N1726-N1841 PolarHBondContact ND2-OD1 3.44Š| ||
| 1842 | T | 27 | Very low | 25.4 | Very low | 135 Ų | 135 | 150 Ų | 150 | 83% | 0.828 | 76% | 0.763 | S | S | * | * | trans | -151.5 | 127.6 | 144.5 | -39.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1843 | R | 26.1 | Very low | 25.4 | Very low | 248 Ų | 248 | 151.8 Ų | 151.8 | 94% | 0.936 | 77% | 0.767 | S | S | * | * | trans | -159 | 65.9 | 165.4 | -128.1 | 177.4 | -169.4 | 178.8 | 4 | 114 | ||||
| 1844 | T | 25.4 | Very low | 25.2 | Very low | 127 Ų | 127 | 154.9 Ų | 154.9 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | trans | -125.2 | 149.4 | 158.2 | -44.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1845 | I | 26.3 | Very low | 25.1 | Very low | 143 Ų | 143 | 160 Ų | 160 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | trans | 70.9 | 93.2 | -179.9 | -44.5 | -179.2 | 0 | 0 | 0 | 115.5 | ||||
| 1846 | H | 24.1 | Very low | 25 | Very low | 175 Ų | 175 | 157.9 Ų | 157.9 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | -133.9 | 133 | 125.6 | -116.5 | -86.2 | 0 | 0 | 0 | 104 | |||||
| 1847 | L | 26.1 | Very low | 25 | Very low | 136 Ų | 136 | 158.1 Ų | 158.1 | 71% | 0.712 | 79% | 0.788 | S | S | * | * | cis | -127.6 | 148.3 | 10 | -70.1 | 133.5 | 0 | 0 | 0 | 111.3 | ||||
| 1848 | Q | 21.8 | Very low | 24.9 | Very low | 180 Ų | 180 | 158.7 Ų | 158.7 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | trans | -134.7 | 90.1 | 147 | -173.1 | 176.2 | -1.1 | 0 | 0 | 109 | ||||
| 1849 | Q | 23.6 | Very low | 24.8 | Very low | 168 Ų | 168 | 158.6 Ų | 158.6 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | -149.3 | 158 | 165.9 | -105.2 | 178 | -16.9 | 0 | 0 | 107.2 | ||||
| 1850 | C | 24.4 | Very low | 24.3 | Very low | 121 Ų | 121 | 158.5 Ų | 158.5 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | 68.1 | 65.1 | -169.8 | -53.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1851 | L | 22.6 | Very low | 24.3 | Very low | 163 Ų | 163 | 159.5 Ų | 159.5 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | S | Bend | -102.9 | 154.9 | 125.9 | -82.4 | 169.3 | 0 | 0 | 0 | 107.4 | |||
| 1852 | Y | 23 | Very low | 24.4 | Very low | 235 Ų | 235 | 160.6 Ų | 160.6 | 92% | 0.922 | 81% | 0.809 | S | S | * | * | S | Bend | trans | 66.5 | 52.9 | -177.1 | -90 | -86 | 0 | 0 | 0 | 117.4 | ||
| 1853 | Q | 21.9 | Very low | 24.3 | Very low | 186 Ų | 186 | 159 Ų | 159 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | S | Bend | -166.5 | 156.5 | 129.2 | -106.6 | 168.3 | 13.5 | 0 | 0 | 110.7 | |||
| 1854 | Q | 22.7 | Very low | 24.4 | Very low | 185 Ų | 185 | 152.8 Ų | 152.8 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | 72.8 | 79.9 | -173.8 | -58.2 | -172 | -15.5 | 0 | 0 | 117.3 | ||||
| 1855 | Y | 24.5 | Very low | 24.3 | Very low | 232 Ų | 232 | 152.9 Ų | 152.9 | 91% | 0.91 | 80% | 0.796 | S | S | * | * | trans | -154.7 | 84.1 | 134.7 | -113 | -71.2 | 0 | 0 | 0 | 110.2 | ||||
| 1856 | M | 22.2 | Very low | 24.5 | Very low | 148 Ų | 148 | 152 Ų | 152 | 73% | 0.729 | 80% | 0.799 | S | S | * | * | S | Bend | trans | 171.3 | 118.5 | 140.6 | -95.2 | -58.5 | 170.6 | 0 | 0 | 110.5 | ||
| 1857 | Y | 24.5 | Very low | 24.4 | Very low | 199 Ų | 199 | 147.7 Ų | 147.7 | 78% | 0.78 | 79% | 0.794 | S | S | * | * | trans | 61.2 | 151.4 | 174.3 | -60 | -76 | 0 | 0 | 0 | 116.7 | ||||
| 1858 | N | 25.3 | Very low | 24.6 | Very low | 148 Ų | 148 | 146.3 Ų | 146.3 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | cis | -128.1 | 164 | 7.4 | -120 | -32.2 | 0 | 0 | 0 | 113 | ||||
| 1859 | S | 22.2 | Very low | 24.6 | Very low | 95 Ų | 95 | 141.9 Ų | 141.9 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | trans | -98.8 | 167.8 | -177.4 | 58.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1860 | S | 25.2 | Very low | 24.7 | Very low | 119 Ų | 119 | 142.1 Ų | 142.1 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | 73.1 | 155.3 | 165.1 | 85.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 1861 | S | 24.6 | Very low | 24.6 | Very low | 95 Ų | 95 | 143.9 Ų | 143.9 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | cis | -142.2 | 169.1 | 3.8 | 65.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1862 | P | 29.7 | Very low | 24.6 | Very low | 134 Ų | 134 | 141.9 Ų | 141.9 | 87% | 0.87 | 77% | 0.766 | S | S | * | * | -119.5 | 146.5 | 113.9 | -5.5 | 24.9 | 0 | 0 | 0 | 114.1 | |||||
| 1863 | S | 24 | Very low | 24.6 | Very low | 102 Ų | 102 | 136.1 Ų | 136.1 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | -82 | 178.9 | 170.9 | 59.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1864 | P | 27.7 | Very low | 24.8 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | cis | -130.3 | 179 | -8.7 | 20 | 5.3 | 0 | 0 | 0 | 114.6 | ||||
| 1865 | V | 24.2 | Very low | 24.9 | Very low | 129 Ų | 129 | 132.5 Ų | 132.5 | 78% | 0.782 | 74% | 0.737 | S | S | * | * | trans | -78 | 168.1 | 171.6 | -143.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1866 | P | 29.6 | Very low | 24.9 | Very low | 123 Ų | 123 | 130.8 Ų | 130.8 | 80% | 0.799 | 74% | 0.737 | S | S | * | * | -119.1 | 134.8 | 125.5 | 34.6 | -32.3 | 0 | 0 | 0 | 113.4 | |||||
| 1867 | A | 22.3 | Very low | 24.9 | Very low | 86 Ų | 86 | 128.7 Ų | 128.7 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | trans | -85.2 | -169.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1868 | P | 29.8 | Very low | 24.8 | Very low | 107 Ų | 107 | 124.1 Ų | 124.1 | 70% | 0.695 | 73% | 0.734 | S | S | * | * | cis | -153.5 | 154.4 | 19.1 | 45.1 | -23.1 | 0 | 0 | 0 | 121.1 | ||||
| 1869 | S | 22.7 | Very low | 24.7 | Very low | 86 Ų | 86 | 125.3 Ų | 125.3 | 60% | 0.601 | 74% | 0.735 | S | S | * | * | 75.3 | 160.2 | 126.2 | 67.5 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 1870 | F | 24.7 | Very low | 24.7 | Very low | 174 Ų | 174 | 126.4 Ų | 126.4 | 76% | 0.763 | 74% | 0.737 | S | S | * | * | trans | 77.4 | 122.8 | 170.6 | -61 | -81.7 | 0 | 0 | 0 | 117 | ||||
| 1871 | H | 22.3 | Very low | 24.6 | Very low | 157 Ų | 157 | 126.7 Ų | 126.7 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | cis | 92.7 | 142.3 | 43.2 | -84.1 | -13.6 | 0 | 0 | 0 | 112.9 | ||||
| 1872 | I | 23.3 | Very low | 24.6 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 63% | 0.626 | 73% | 0.733 | S | S | * | * | cis | -166.9 | 170.9 | -9.2 | -157.4 | 169.4 | 0 | 0 | 0 | 109.5 | ||||
| 1873 | N | 24 | Very low | 24.2 | Very low | 113 Ų | 113 | 126.5 Ų | 126.5 | 60% | 0.604 | 72% | 0.723 | S | S | * | * | trans | 67.6 | 154.6 | 165.9 | -70.2 | -2 | 0 | 0 | 0 | 118.1 | ||||
| 1874 | Q | 24.9 | Very low | 24.2 | Very low | 147 Ų | 147 | 128.6 Ų | 128.6 | 69% | 0.687 | 73% | 0.725 | S | S | * | * | cis | -151 | 131.9 | -13 | -112.7 | 153.5 | -26.9 | 0 | 0 | 106.8 | ||||
| 1875 | I | 24.8 | Very low | 24.1 | Very low | 148 Ų | 148 | 129 Ų | 129 | 76% | 0.759 | 72% | 0.721 | S | S | * | * | 49.3 | 112.1 | 88.5 | -48.9 | 171.9 | 0 | 0 | 0 | 114.1 | |||||
| 1876 | E | 24 | Very low | 24.3 | Very low | 196 Ų | 196 | 129.7 Ų | 129.7 | 92% | 0.916 | 72% | 0.72 | S | S | * | * | -175.2 | 178.3 | 124.7 | -109.2 | -177.6 | -165.5 | 0 | 0 | 112.9 | |||||
| 1877 | S | 23 | Very low | 24.2 | Very low | 105 Ų | 105 | 127.7 Ų | 127.7 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | trans | -144.6 | 139.2 | -165.5 | 60.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1878 | S | 23.5 | Very low | 24.4 | Very low | 102 Ų | 102 | 133.6 Ų | 133.6 | 71% | 0.713 | 72% | 0.719 | S | S | * | * | trans | 84.5 | 144.6 | 152.2 | 82.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1879 | H | 22.7 | Very low | 24.4 | Very low | 174 Ų | 174 | 135.4 Ų | 135.4 | 81% | 0.806 | 72% | 0.718 | S | S | * | * | trans | 79.2 | 138.2 | 153.8 | -77.3 | -65.3 | 0 | 0 | 0 | 123.4 | ||||
| 1880 | V | 22.1 | Very low | 24.6 | Very low | 118 Ų | 118 | 139.3 Ų | 139.3 | 72% | 0.715 | 73% | 0.727 | S | S | * | * | trans | 66.7 | 91.9 | 159.1 | 179.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1881 | I | 21.9 | Very low | 24.6 | Very low | 124 Ų | 124 | 139.8 Ų | 139.8 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | 56.7 | 110.6 | 79.6 | -59.3 | 178.7 | 0 | 0 | 0 | 113 | T1883 | I1881-T1883 HydrophobicContact CG2-CG2 3.48Å; I1881-T1883 VanDerWaalsContact CG2-CG2 3.48Å; I1881-T1883 WeakPolarHBondContact CG2-OG1 3.45Å | |||
| 1882 | P | 25 | Very low | 24.8 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | -98 | 151.1 | 101.7 | 28.4 | -35.4 | 0 | 0 | 0 | 110.2 | |||||
| 1883 | T | 21 | Very low | 24.9 | Very low | 108 Ų | 108 | 137.9 Ų | 137.9 | 66% | 0.663 | 74% | 0.742 | S | S | * | * | cis | 45.7 | 89 | 11.5 | 68.6 | 0 | 0 | 0 | 0 | 116.2 | I1881 | I1881-T1883 HydrophobicContact CG2-CG2 3.48Å; I1881-T1883 VanDerWaalsContact CG2-CG2 3.48Å; I1881-T1883 WeakPolarHBondContact CG2-OG1 3.45Å | ||
| 1884 | L | 24.7 | Very low | 25.1 | Very low | 145 Ų | 145 | 138 Ų | 138 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | -155.8 | 135.6 | 92 | -128.8 | 76.5 | 0 | 0 | 0 | 112.8 | |||||
| 1885 | N | 25.6 | Very low | 25.2 | Very low | 127 Ų | 127 | 140.2 Ų | 140.2 | 68% | 0.679 | 75% | 0.754 | S | S | * | * | trans | 57.3 | 113.4 | 143.5 | -67.3 | 7.2 | 0 | 0 | 0 | 122.5 | ||||
| 1886 | N | 29 | Very low | 25.4 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | 107.1 | 74 | 124.9 | -64.4 | 6.1 | 0 | 0 | 0 | 120.8 | |||||
| 1887 | A | 27 | Very low | 25.5 | Very low | 80 Ų | 80 | 138 Ų | 138 | 66% | 0.661 | 75% | 0.745 | S | S | * | * | 100.9 | 144.4 | 99.5 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 1888 | Y | 25.9 | Very low | 25.7 | Very low | 211 Ų | 211 | 140 Ų | 140 | 83% | 0.827 | 75% | 0.747 | S | S | * | * | trans | 77.3 | 129.8 | 161.4 | -71.8 | -67.7 | 0 | 0 | 0 | 121.4 | ||||
| 1889 | H | 30 | Very low | 25.7 | Very low | 145 Ų | 145 | 139.6 Ų | 139.6 | 67% | 0.671 | 75% | 0.745 | S | S | * | * | trans | 57.9 | 109.2 | 161.1 | -73 | -81.8 | 0 | 0 | 0 | 121.7 | ||||
| 1890 | E | 27.9 | Very low | 25.9 | Very low | 168 Ų | 168 | 137 Ų | 137 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | 52.5 | 115.7 | 125 | -66.1 | 173.2 | 134.7 | 0 | 0 | 119.7 | |||||
| 1891 | L | 25.1 | Very low | 26.1 | Very low | 184 Ų | 184 | 137.3 Ų | 137.3 | 96% | 0.963 | 74% | 0.743 | S | S | * | * | trans | -96.1 | 101.8 | -179.6 | -78.2 | 161.9 | 0 | 0 | 0 | 112.1 | ||||
| 1892 | T | 25.5 | Very low | 26.3 | Very low | 121 Ų | 121 | 136 Ų | 136 | 74% | 0.742 | 75% | 0.745 | S | S | * | * | trans | -118.5 | 137.6 | 148.4 | 41.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1893 | T | 25.6 | Very low | 26.2 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 72% | 0.724 | 74% | 0.741 | S | S | * | * | trans | 63.1 | 126.6 | 151.8 | 51.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1894 | T | 28.3 | Very low | 26.7 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | trans | 64.2 | 133.1 | 136 | 58.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1895 | K | 26 | Very low | 26.6 | Very low | 194 Ų | 194 | 135.3 Ų | 135.3 | 84% | 0.843 | 74% | 0.74 | S | S | * | * | trans | -131.6 | 139.1 | 136.3 | -65.4 | -173.4 | 179.2 | 179.6 | 0 | 106.5 | ||||
| 1896 | H | 29.6 | Very low | 26.6 | Very low | 157 Ų | 157 | 134.6 Ų | 134.6 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | S | Bend | cis | -124.2 | 165.8 | 32.3 | -119.6 | -94.1 | 0 | 0 | 0 | 116.2 | ||
| 1897 | D | 27.2 | Very low | 26.3 | Very low | 142 Ų | 142 | 133.7 Ų | 133.7 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | trans | 69 | 126.9 | 166.2 | -53.9 | -19 | 0 | 0 | 0 | 117.7 | ||||
| 1898 | N | 25.2 | Very low | 26.1 | Very low | 145 Ų | 145 | 133.5 Ų | 133.5 | 78% | 0.775 | 74% | 0.739 | S | S | * | * | trans | -160.5 | 165.2 | -154.3 | -145.5 | -17.8 | 0 | 0 | 0 | 111.3 | ||||
| 1899 | S | 25 | Very low | 26.1 | Very low | 95 Ų | 95 | 129.5 Ų | 129.5 | 66% | 0.664 | 74% | 0.737 | S | S | * | * | trans | 76.3 | 135.5 | 162.7 | 76 | 0 | 0 | 0 | 0 | 122 | ||||
| 1900 | T | 26.2 | Very low | 25.9 | Very low | 118 Ų | 118 | 129.4 Ų | 129.4 | 72% | 0.724 | 74% | 0.739 | S | S | * | * | trans | 71.1 | 133.9 | 146.3 | 46.5 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1901 | T | 26.1 | Very low | 25.9 | Very low | 126 Ų | 126 | 127.3 Ų | 127.3 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | trans | 69.5 | 140 | 150.4 | 46.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1902 | S | 27.4 | Very low | 26.1 | Very low | 96 Ų | 96 | 122.5 Ų | 122.5 | 67% | 0.671 | 73% | 0.725 | S | S | * | * | trans | 56.3 | 111.4 | 153.5 | 50.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1903 | I | 23 | Very low | 26.3 | Very low | 133 Ų | 133 | 121.6 Ų | 121.6 | 68% | 0.682 | 72% | 0.724 | S | S | * | * | 47.9 | 118 | 106.2 | -63.8 | 172.4 | 0 | 0 | 0 | 115.1 | V1905 | I1903-V1905 HydrophobicContact CD1-CG2 4.48Å; I1903-V1905 HydrophobicContact CG1-CB 4.08Å; I1903-V1905 HydrophobicContact CG1-CG2 3.88Å; I1903-V1905 HydrophobicContact CG2-CB 4.41Å | |||
| 1904 | P | 29.5 | Very low | 26.5 | Very low | 129 Ų | 129 | 121.7 Ų | 121.7 | 84% | 0.838 | 72% | 0.72 | S | S | * | * | -93.4 | 102 | 57.8 | 28.3 | -35.8 | 0 | 0 | 0 | 115.9 | |||||
| 1905 | V | 23.3 | Very low | 26.6 | Very low | 94 Ų | 94 | 124 Ų | 124 | 57% | 0.57 | 73% | 0.727 | S | S | * | * | trans | -55.7 | 153.8 | 136.2 | 156.6 | 0 | 0 | 0 | 0 | 108.2 | I1903 | I1903-V1905 HydrophobicContact CD1-CG2 4.48Å; I1903-V1905 HydrophobicContact CG1-CB 4.08Å; I1903-V1905 HydrophobicContact CG1-CG2 3.88Å; I1903-V1905 HydrophobicContact CG2-CB 4.41Å | ||
| 1906 | T | 26.1 | Very low | 26.7 | Very low | 113 Ų | 113 | 120 Ų | 120 | 69% | 0.693 | 72% | 0.715 | S | S | * | * | trans | 64.8 | 114.7 | 176.2 | 37.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1907 | V | 22.4 | Very low | 26.6 | Very low | 124 Ų | 124 | 117.9 Ų | 117.9 | 75% | 0.752 | 72% | 0.718 | S | S | * | * | 50.5 | 105 | 53.6 | -171.8 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 1908 | A | 23.5 | Very low | 26.7 | Very low | 76 Ų | 76 | 118.7 Ų | 118.7 | 63% | 0.628 | 72% | 0.717 | S | S | * | * | trans | -156.4 | 103.3 | 132.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1910 | A1908-I1910 HydrophobicContact CB-CD1 4.02Š| ||
| 1909 | T | 26.1 | Very low | 26.8 | Very low | 128 Ų | 128 | 119.4 Ų | 119.4 | 79% | 0.785 | 72% | 0.716 | S | S | * | * | -21 | 118.6 | 124.6 | 45.4 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1910 | I | 24.8 | Very low | 26.8 | Very low | 142 Ų | 142 | 119.5 Ų | 119.5 | 73% | 0.728 | 72% | 0.717 | S | S | * | * | trans | -139.6 | 138.3 | 147.6 | -57.2 | 91.7 | 0 | 0 | 0 | 104.5 | A1908 | A1908-I1910 HydrophobicContact CB-CD1 4.02Š| ||
| 1911 | T | 28.3 | Very low | 26.8 | Very low | 125 Ų | 125 | 121 Ų | 121 | 77% | 0.767 | 72% | 0.72 | S | S | * | * | S | Bend | cis | -102.4 | 129.9 | 7.6 | 49 | 0 | 0 | 0 | 0 | 111.9 | ||
| 1912 | A | 28.7 | Very low | 26.9 | Very low | 83 Ų | 83 | 120.3 Ų | 120.3 | 69% | 0.686 | 72% | 0.72 | S | S | * | * | 80.2 | 145.2 | 58.7 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 1913 | S | 30.9 | Very low | 26.8 | Very low | 102 Ų | 102 | 123 Ų | 123 | 71% | 0.713 | 73% | 0.727 | S | S | * | * | cis | -150.8 | 134.2 | 21.7 | 56.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1914 | N | 28.8 | Very low | 27.5 | Very low | 119 Ų | 119 | 121.2 Ų | 121.2 | 64% | 0.636 | 72% | 0.724 | S | S | * | * | trans | 53.2 | 163 | 135.9 | -54.7 | 39.9 | 0 | 0 | 0 | 120.1 | D1916 | N1914-D1916 PolarHBondContact ND2-OD2 3.42Å; N1914-D1916 VanDerWaalsContact ND2-OD2 3.13Å | ||
| 1915 | L | 30.3 | Very low | 27.4 | Very low | 163 Ų | 163 | 121.6 Ų | 121.6 | 85% | 0.853 | 72% | 0.719 | S | S | * | * | cis | -137.5 | 178.1 | 12.5 | -68 | 77.9 | 0 | 0 | 0 | 110.6 | ||||
| 1916 | D | 28.3 | Very low | 27.7 | Very low | 110 Ų | 110 | 123.3 Ų | 123.3 | 59% | 0.588 | 73% | 0.725 | S | S | * | * | -173.2 | 150.9 | -50.7 | -84.3 | -43.1 | 0 | 0 | 0 | 108.2 | N1914 | N1914-D1916 PolarHBondContact ND2-OD2 3.42Å; N1914-D1916 VanDerWaalsContact ND2-OD2 3.13Å | |||
| 1917 | S | 27.9 | Very low | 27.9 | Very low | 112 Ų | 112 | 125.9 Ų | 125.9 | 78% | 0.783 | 73% | 0.729 | S | S | * | * | trans | 71.5 | 154.4 | 167.6 | 81.7 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1918 | Q | 28.8 | Very low | 28.2 | Very low | 160 Ų | 160 | 129.3 Ų | 129.3 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | cis | -160.5 | 148.7 | -3.9 | -129.1 | 172 | 27.2 | 0 | 0 | 113.9 | ||||
| 1919 | Q | 27.2 | Very low | 28.3 | Very low | 159 Ų | 159 | 130.9 Ų | 130.9 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | trans | 53.3 | 114 | 145.2 | -77 | 171 | 2.7 | 0 | 0 | 125.6 | ||||
| 1920 | S | 24.6 | Very low | 28.2 | Very low | 98 Ų | 98 | 132.5 Ų | 132.5 | 69% | 0.685 | 75% | 0.747 | S | S | * | * | 88.3 | 133.6 | 121.7 | 72.9 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 1921 | N | 26.8 | Very low | 28.7 | Very low | 149 Ų | 149 | 130.9 Ų | 130.9 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | trans | 87.7 | 127.9 | 152.3 | -65.3 | -7.6 | 0 | 0 | 0 | 122.9 | ||||
| 1922 | S | 27.3 | Very low | 28.5 | Very low | 111 Ų | 111 | 131 Ų | 131 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | trans | 63 | 100.3 | 156.4 | 45.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1923 | N | 26.2 | Very low | 28.4 | Very low | 154 Ų | 154 | 133 Ų | 133 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | 21.1 | 152.7 | 114.8 | -76.6 | 38 | 0 | 0 | 0 | 121.4 | |||||
| 1924 | P | 37.7 | Very low | 28.1 | Very low | 94 Ų | 94 | 132.8 Ų | 132.8 | 61% | 0.61 | 75% | 0.748 | S | S | * | * | cis | -145.8 | -173.5 | -14.3 | 40.7 | -20 | 0 | 0 | 0 | 117.3 | ||||
| 1925 | D | 27.5 | Very low | 27.9 | Very low | 137 Ų | 137 | 134.4 Ų | 134.4 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | trans | 81.2 | 117.6 | 151 | -56.7 | -26.3 | 0 | 0 | 0 | 124 | ||||
| 1926 | D | 29.1 | Very low | 27.6 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | trans | 60.7 | 143.5 | 139.1 | -68.5 | -24.7 | 0 | 0 | 0 | 123.8 | ||||
| 1927 | H | 30.4 | Very low | 27.3 | Very low | 166 Ų | 166 | 132.9 Ų | 132.9 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | cis | -149.6 | 164.4 | 4.3 | -124.9 | 17.1 | 0 | 0 | 0 | 110.6 | ||||
| 1928 | H | 28.7 | Very low | 27.1 | Very low | 196 Ų | 196 | 134.9 Ų | 134.9 | 91% | 0.907 | 77% | 0.768 | S | S | * | * | trans | -124.1 | 156 | -174.3 | -95.1 | -64.6 | 0 | 0 | 0 | 114.5 | ||||
| 1929 | S | 25 | Very low | 26.8 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -156 | 141.2 | 158.9 | 59.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1930 | N | 25.1 | Very low | 26.6 | Very low | 161 Ų | 161 | 132.4 Ų | 132.4 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | trans | -174.6 | 164.1 | 164.5 | -110 | -30.4 | 0 | 0 | 0 | 110 | ||||
| 1931 | P | 34.6 | Very low | 26.5 | Very low | 108 Ų | 108 | 133.8 Ų | 133.8 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | -135.7 | -162.5 | -116.4 | 39.1 | -19.6 | 0 | 0 | 0 | 117.4 | |||||
| 1932 | V | 24.7 | Very low | 26.4 | Very low | 129 Ų | 129 | 133.1 Ų | 133.1 | 78% | 0.782 | 76% | 0.762 | S | S | * | * | trans | 119.2 | 138.7 | 150.8 | -167.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1933 | V | 26.3 | Very low | 26.3 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 76% | 0.758 | 77% | 0.768 | S | S | * | * | trans | 108.9 | 121.1 | 163.1 | -166.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1934 | S | 23.9 | Very low | 26.4 | Very low | 97 Ų | 97 | 136.1 Ų | 136.1 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | trans | 66.9 | 132.9 | 156.8 | 60.8 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 1935 | D | 24.8 | Very low | 25.9 | Very low | 152 Ų | 152 | 137.1 Ų | 137.1 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | 79.5 | 148.5 | 143.2 | -68.8 | 5 | 0 | 0 | 0 | 125.6 | ||||
| 1936 | S | 25.5 | Very low | 25.8 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | trans | 83.8 | 175.5 | 170.7 | 79.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1937 | C | 22.2 | Very low | 25.7 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -104.5 | 163.1 | -136.5 | -59.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1938 | L | 22.7 | Very low | 25.5 | Very low | 153 Ų | 153 | 136.5 Ų | 136.5 | 80% | 0.801 | 78% | 0.775 | S | S | * | * | trans | 78.9 | 130.5 | 160.9 | -61.1 | 171 | 0 | 0 | 0 | 119.7 | ||||
| 1939 | F | 22.3 | Very low | 25.2 | Very low | 188 Ų | 188 | 132.3 Ų | 132.3 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | trans | 17.3 | 140.6 | 151.5 | -70.1 | -102.3 | 0 | 0 | 0 | 121.8 | ||||
| 1940 | S | 22.9 | Very low | 25.5 | Very low | 80 Ų | 80 | 132.6 Ų | 132.6 | 56% | 0.559 | 77% | 0.767 | S | S | * | * | cis | -179 | 144.7 | -11.3 | 46.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1941 | T | 23.4 | Very low | 25.4 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | trans | 60.4 | 165.5 | 159.5 | 55.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1942 | I | 24.3 | Very low | 25.3 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 69% | 0.687 | 77% | 0.765 | S | S | * | * | cis | -125.4 | 161.8 | 4.1 | -77.4 | 85 | 0 | 0 | 0 | 108.1 | T1944 | I1942-T1944 HydrophobicContact CG2-CG2 4.03Š| ||
| 1943 | K | 26 | Very low | 25.3 | Very low | 210 Ų | 210 | 129.6 Ų | 129.6 | 91% | 0.913 | 76% | 0.763 | S | S | * | * | trans | -110.6 | 133.7 | 155.2 | -85.3 | -169.7 | 174.4 | -177.8 | 0 | 111.3 | ||||
| 1944 | T | 26.4 | Very low | 25.2 | Very low | 119 Ų | 119 | 130.6 Ų | 130.6 | 73% | 0.73 | 76% | 0.763 | S | S | * | * | trans | -104.4 | 171.9 | -175.6 | 58.1 | 0 | 0 | 0 | 0 | 111.6 | I1942 | I1942-T1944 HydrophobicContact CG2-CG2 4.03Š| ||
| 1945 | P | 28.9 | Very low | 25.3 | Very low | 114 Ų | 114 | 130.7 Ų | 130.7 | 74% | 0.74 | 76% | 0.764 | S | S | * | * | -125.8 | 171.8 | 86.2 | 39.1 | -31.2 | 0 | 0 | 0 | 111.7 | |||||
| 1946 | T | 25.1 | Very low | 25.3 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 73% | 0.73 | 77% | 0.768 | S | S | * | * | cis | -134.6 | 138.3 | 25.9 | 45.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1947 | V | 26.8 | Very low | 25.4 | Very low | 114 Ų | 114 | 130 Ų | 130 | 69% | 0.691 | 76% | 0.76 | S | S | * | * | 54.9 | 119.6 | 84.7 | 179.9 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 1948 | Q | 25.1 | Very low | 25.7 | Very low | 188 Ų | 188 | 131.3 Ų | 131.3 | 88% | 0.879 | 76% | 0.759 | S | S | * | * | cis | -157.4 | 170.5 | 27.7 | -145.6 | 157.7 | 32.5 | 0 | 0 | 113.6 | ||||
| 1949 | S | 22.9 | Very low | 25.9 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 76% | 0.762 | 75% | 0.75 | S | S | * | * | trans | -151.2 | 147.7 | 170.7 | 60.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1950 | P | 32 | Very low | 26.3 | Very low | 115 Ų | 115 | 126.4 Ų | 126.4 | 75% | 0.747 | 74% | 0.742 | S | S | * | * | trans | -136.6 | 141.9 | 145.8 | 23.3 | -3.1 | 0 | 0 | 0 | 112.3 | ||||
| 1951 | S | 23 | Very low | 26.6 | Very low | 115 Ų | 115 | 128.4 Ų | 128.4 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | 72.1 | 150.7 | 62.9 | -51.9 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1952 | P | 32.7 | Very low | 27 | Very low | 112 Ų | 112 | 128 Ų | 128 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | cis | -141.4 | -167.4 | 2.3 | 42.2 | -21.8 | 0 | 0 | 0 | 117.1 | ||||
| 1953 | C | 23.8 | Very low | 27.2 | Very low | 109 Ų | 109 | 127.4 Ų | 127.4 | 74% | 0.736 | 74% | 0.738 | S | S | * | * | trans | 74.9 | 153.9 | 154.4 | -65.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1954 | L | 24.9 | Very low | 27.3 | Very low | 145 Ų | 145 | 123.4 Ų | 123.4 | 76% | 0.759 | 73% | 0.726 | S | S | * | * | cis | -168.7 | 146 | -14.6 | -112.3 | 169.8 | 0 | 0 | 0 | 112.3 | ||||
| 1955 | S | 25.3 | Very low | 27.2 | Very low | 100 Ų | 100 | 124 Ų | 124 | 70% | 0.699 | 73% | 0.725 | S | S | * | * | trans | 62.4 | 158.2 | 151.1 | 70.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1956 | Q | 24.3 | Very low | 27.1 | Very low | 193 Ų | 193 | 127 Ų | 127 | 90% | 0.902 | 73% | 0.727 | S | S | * | * | cis | -164.5 | 151.8 | -20.2 | -115.8 | -178.2 | -25.8 | 0 | 0 | 111.4 | ||||
| 1957 | G | 27.5 | Very low | 26.9 | Very low | 66 Ų | 66 | 129.7 Ų | 129.7 | 68% | 0.68 | 73% | 0.731 | S | S | * | * | trans | 74.2 | 160.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1958 | D | 28.7 | Very low | 26.7 | Very low | 147 Ų | 147 | 128.8 Ų | 128.8 | 79% | 0.786 | 73% | 0.73 | S | S | * | * | cis | -173.1 | 155 | -8.5 | -123.8 | 43.8 | 0 | 0 | 0 | 107.5 | ||||
| 1959 | N | 28.3 | Very low | 26.6 | Very low | 114 Ų | 114 | 125.4 Ų | 125.4 | 61% | 0.61 | 73% | 0.727 | S | S | * | * | cis | -165.2 | 175.2 | -10.3 | -147.3 | -40 | 0 | 0 | 0 | 109.9 | ||||
| 1960 | N | 29.5 | Very low | 27.1 | Very low | 125 Ų | 125 | 125.7 Ų | 125.7 | 67% | 0.668 | 73% | 0.726 | S | S | * | * | trans | 66.5 | 138.4 | 168.6 | -59.7 | -43.9 | 0 | 0 | 0 | 117.8 | ||||
| 1961 | N | 30.5 | Very low | 26.6 | Very low | 121 Ų | 121 | 125.2 Ų | 125.2 | 65% | 0.647 | 73% | 0.726 | S | S | * | * | cis | -163.3 | 150 | -0.1 | -118.2 | -21.9 | 0 | 0 | 0 | 113.5 | ||||
| 1962 | N | 30.7 | Very low | 26.5 | Very low | 119 Ų | 119 | 129.2 Ų | 129.2 | 64% | 0.636 | 73% | 0.729 | S | S | * | * | trans | 69.2 | 94.1 | 147.1 | -64.1 | -24 | 0 | 0 | 0 | 123.2 | ||||
| 1963 | N | 28.9 | Very low | 26 | Very low | 121 Ų | 121 | 128.4 Ų | 128.4 | 65% | 0.647 | 73% | 0.726 | S | S | * | * | 70.3 | 121 | 103.4 | -66.3 | -10.8 | 0 | 0 | 0 | 122.8 | |||||
| 1964 | N | 27 | Very low | 25.9 | Very low | 126 Ų | 126 | 128.4 Ų | 128.4 | 67% | 0.674 | 73% | 0.727 | S | S | * | * | 61.1 | 143.7 | 114.7 | -52.7 | -14.4 | 0 | 0 | 0 | 120.5 | |||||
| 1965 | N | 25.5 | Very low | 25.9 | Very low | 132 Ų | 132 | 127.6 Ų | 127.6 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | cis | -158.9 | 178 | -11.7 | -122.1 | -32.4 | 0 | 0 | 0 | 111.6 | ||||
| 1966 | K | 25.8 | Very low | 25.6 | Very low | 177 Ų | 177 | 127.4 Ų | 127.4 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | trans | -49.9 | 151.9 | 165.3 | -51.4 | 159.4 | -174.9 | 170.7 | 0 | 112.5 | ||||
| 1967 | E | 22 | Very low | 25.6 | Very low | 175 Ų | 175 | 123.5 Ų | 123.5 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | 175.2 | 152.1 | 105.1 | -100.9 | 174.9 | -163.6 | 0 | 0 | 116.9 | |||||
| 1968 | S | 22.9 | Very low | 25.4 | Very low | 96 Ų | 96 | 126.2 Ų | 126.2 | 67% | 0.671 | 72% | 0.72 | S | S | * | * | trans | 69.8 | 126.5 | 144.1 | 76.8 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1969 | S | 21.9 | Very low | 25.4 | Very low | 116 Ų | 116 | 126.4 Ų | 126.4 | 81% | 0.811 | 72% | 0.72 | S | S | * | * | 71.3 | 160.9 | 121.1 | -60.4 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 1970 | P | 34.4 | Very low | 25.3 | Very low | 115 Ų | 115 | 125.3 Ų | 125.3 | 75% | 0.747 | 72% | 0.721 | S | S | * | * | trans | -116.7 | -178.1 | -166.2 | 43.2 | -32.6 | 0 | 0 | 0 | 115.3 | ||||
| 1971 | S | 21.2 | Very low | 25.1 | Very low | 106 Ų | 106 | 127.1 Ų | 127.1 | 74% | 0.741 | 73% | 0.73 | S | S | * | * | trans | 108.9 | 122.2 | 153.6 | 78.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1972 | F | 21.5 | Very low | 25.1 | Very low | 199 Ų | 199 | 124.8 Ų | 124.8 | 87% | 0.873 | 74% | 0.735 | S | S | * | * | trans | 56.6 | 130.5 | 146.6 | -81.4 | -84.8 | 0 | 0 | 0 | 125.5 | ||||
| 1973 | S | 20.9 | Very low | 24.8 | Very low | 94 Ų | 94 | 126.6 Ų | 126.6 | 66% | 0.657 | 74% | 0.744 | S | S | * | * | trans | 65.3 | 89.6 | 141.9 | 57.8 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1974 | S | 22.4 | Very low | 24.8 | Very low | 109 Ų | 109 | 129.9 Ų | 129.9 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | 37.4 | 102.6 | 113.2 | 64.5 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 1975 | T | 23.7 | Very low | 24.6 | Very low | 129 Ų | 129 | 131.2 Ų | 131.2 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | -165.5 | 127.7 | 126.5 | 29.6 | 0 | 0 | 0 | 0 | 106 | |||||
| 1976 | S | 20.8 | Very low | 24.8 | Very low | 95 Ų | 95 | 130.8 Ų | 130.8 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | 48.1 | 134.8 | 81.7 | 78.8 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1977 | T | 23.4 | Very low | 24.8 | Very low | 111 Ų | 111 | 129.3 Ų | 129.3 | 68% | 0.681 | 77% | 0.767 | S | S | * | * | cis | -166.7 | 144.3 | 22.8 | -12.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1978 | T | 23.4 | Very low | 24.9 | Very low | 124 Ų | 124 | 128.6 Ų | 128.6 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | trans | 59.9 | 174.9 | 154.9 | 57.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1979 | I | 27.8 | Very low | 25 | Very low | 151 Ų | 151 | 129.8 Ų | 129.8 | 77% | 0.774 | 77% | 0.766 | S | S | * | * | cis | -148.6 | 144.5 | 11.3 | -44.3 | 159.9 | 0 | 0 | 0 | 104.9 | ||||
| 1980 | S | 27.5 | Very low | 25.2 | Very low | 91 Ų | 91 | 133.5 Ų | 133.5 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | cis | -171.3 | 166.5 | -8 | 50.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1981 | D | 25.7 | Very low | 24.7 | Very low | 163 Ų | 163 | 135.6 Ų | 135.6 | 87% | 0.872 | 77% | 0.767 | S | S | * | * | cis | -171.9 | 158.5 | -28.8 | -88.3 | -47.3 | 0 | 0 | 0 | 106.5 | ||||
| 1982 | G | 28.6 | Very low | 25 | Very low | 71 Ų | 71 | 134.8 Ų | 134.8 | 73% | 0.732 | 75% | 0.754 | S | S | * | * | trans | 178.6 | 85.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1983 | N | 24.8 | Very low | 25.2 | Very low | 157 Ų | 157 | 132.3 Ų | 132.3 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | trans | 16.4 | 108.1 | 154 | -60.8 | -26.3 | 0 | 0 | 0 | 120 | ||||
| 1984 | Q | 30 | Very low | 25.5 | Very low | 190 Ų | 190 | 131.8 Ų | 131.8 | 89% | 0.888 | 74% | 0.74 | S | S | * | * | 178.3 | 162.9 | 114.2 | -96.4 | 169.6 | 51.1 | 0 | 0 | 113.3 | |||||
| 1985 | L | 21.6 | Very low | 25.8 | Very low | 154 Ų | 154 | 132.5 Ų | 132.5 | 81% | 0.806 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 142.1 | -177.5 | -72.1 | 68.5 | 0 | 0 | 0 | 112.4 | ||
| 1986 | P | 29.5 | Very low | 26.3 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 80% | 0.799 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 142.2 | 147.7 | 33.6 | -28.8 | 0 | 0 | 0 | 110.9 | ||
| 1987 | N | 26.7 | Very low | 27.4 | Very low | 147 Ų | 147 | 126.7 Ų | 126.7 | 79% | 0.786 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 135.4 | -175 | -84.5 | -59.9 | 0 | 0 | 0 | 113.9 | ||
| 1988 | I | 23.1 | Very low | 28.1 | Very low | 159 Ų | 159 | 123.9 Ų | 123.9 | 82% | 0.815 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 124.7 | 156.3 | -62.4 | 168.7 | 0 | 0 | 0 | 108.3 | ||
| 1989 | N | 26.2 | Very low | 29 | Very low | 121 Ų | 121 | 120.5 Ų | 120.5 | 65% | 0.647 | 66% | 0.655 | S | S | * | * | trans | -159 | 113.2 | 156.2 | -109.8 | -44.7 | 0 | 0 | 0 | 114.6 | ||||
| 1990 | R | 25.7 | Very low | 30.4 | Very low | 195 Ų | 195 | 113.7 Ų | 113.7 | 74% | 0.736 | 62% | 0.62 | S | S | * | * | trans | 55.6 | 83 | 140.7 | -62.5 | 170.3 | -176.7 | -177.3 | 0.4 | 119.1 | ||||
| 1991 | N | 25 | Very low | 31.8 | Very low | 159 Ų | 159 | 110.7 Ų | 110.7 | 85% | 0.85 | 60% | 0.597 | S | S | * | * | -96.4 | 106.1 | 128.2 | -84.8 | -8.2 | 0 | 0 | 0 | 108 | |||||
| 1992 | N | 26.3 | Very low | 33.9 | Very low | 88 Ų | 88 | 103 Ų | 103 | 47% | 0.471 | 56% | 0.555 | S | S | . | * | trans | -94.5 | 94.4 | 173.3 | -85 | -1.6 | 0 | 0 | 0 | 109.4 | N1994 H2232 | N1992-N1994 VanDerWaalsContact C-N 3.34Å; N1992-N1994 PolarHBondContact O-N 3.02Å; N1992-H2232 PolarHBondContact ND2-CE1 3.37Å | ||
| 1993 | N | 25.9 | Very low | 35.9 | Very low | 147 Ų | 147 | 104.1 Ų | 104.1 | 79% | 0.786 | 54% | 0.54 | S | S | * | . | trans | -72.1 | 92.6 | 165.7 | -73.3 | 12.5 | 0 | 0 | 0 | 108.5 | N1995 | N1993-N1995 PolarHBondContact O-N 3.28Å; N1993-N1995 VanDerWaalsContact O-N 3.17Å | ||
| 1994 | N | 26.8 | Very low | 38.6 | Very low | 84 Ų | 84 | 98 Ų | 98 | 45% | 0.449 | 51% | 0.508 | S | S | . | . | trans | -78 | 92.9 | 176.1 | -73 | -20.7 | 0 | 0 | 0 | 109.8 | N1992 S1996 | N1992-N1994 VanDerWaalsContact C-N 3.34Å; N1992-N1994 PolarHBondContact O-N 3.02Å; N1994-S1996 PolarHBondContact O-N 2.97Å | ||
| 1995 | N | 29.5 | Very low | 40.9 | Very low | 123 Ų | 123 | 91.9 Ų | 91.9 | 66% | 0.658 | 48% | 0.483 | S | S | * | . | trans | -68 | 97.4 | 165.7 | -72.3 | 20.1 | 0 | 0 | 0 | 109 | N1993 I1997 | N1993-N1995 PolarHBondContact O-N 3.28Å; N1993-N1995 VanDerWaalsContact O-N 3.17Å; N1995-I1997 PolarHBondContact O-N 3.42Å | ||
| 1996 | S | 35 | Very low | 43.9 | Very low | 61 Ų | 61 | 84.9 Ų | 84.9 | 43% | 0.427 | 45% | 0.447 | S | S | . | . | trans | -79.4 | 111.4 | 170.7 | 52.4 | 0 | 0 | 0 | 0 | 110 | N1994 T1998 | N1994-S1996 PolarHBondContact O-N 2.97Å; S1996-T1998 PolarHBondContact O-N 2.73Å | ||
| 1997 | I | 42.2 | Very low | 46.4 | Very low | 42 Ų | 42 | 80.5 Ų | 80.5 | 22% | 0.215 | 42% | 0.418 | C | S | . | . | trans | -67.5 | 122.6 | 162.9 | -63.5 | 162 | 0 | 0 | 0 | 106.7 | N1995 H1999 L2000 D2055 T2056 L2121 A2239 | N1995-I1997 PolarHBondContact O-N 3.42Å; I1997-H1999 WeakPolarHBondContact CG2-O 3.27Å; I1997-L2000 HydrophobicContact CG2-CD2 4.33Å; I1997-L2000 HydrophobicContact CG2-CG 4.49Å; I1997-D2055 WeakPolarHBondContact CA-O 3.39Å; I1997-T2056 HydrophobicContact CG1-CG2 4.14Å; I1997-L2121 HydrophobicContact CD1-CD1 3.99Å; I1997-L2121 HydrophobicContact CD1-CD2 4.08Å; I1997-A2239 VanDerWaalsContact O-CB 3.29Å; I1997-A2239 WeakPolarHBondContact O-CB 3.34Å | ||
| 1998 | T | 38.4 | Very low | 49.1 | Very low | 52 Ų | 52 | 73.7 Ų | 73.7 | 32% | 0.319 | 38% | 0.382 | S | S | . | . | trans | -97.3 | -27.6 | -172.8 | 41.9 | 0 | 0 | 0 | 0 | 114 | S1996 D2055 | S1996-T1998 PolarHBondContact O-N 2.73Å; T1998-D2055 PolarHBondContact N-O 3.19Å; T1998-D2055 PolarHBondContact OG1-O 3.12Å | ||
| 1999 | H | 43.5 | Very low | 52.1 | Low | 52 Ų | 52 | 69.5 Ų | 69.5 | 24% | 0.241 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 157.4 | 176.7 | -99.1 | -118.5 | 0 | 0 | 0 | 110.3 | I1997 G2054 D2055 Q2242 | I1997-H1999 WeakPolarHBondContact CG2-O 3.27Å; H1999-G2054 WeakPolarHBondContact O-CA 3.24Å; H1999-D2055 PolarHBondContact O-N 3.41Å; H1999-Q2242 PolarHBondContact CE1-OE1 2.79Å |
| 2000 | L | 56.6 | Low | 55.1 | Low | 9 Ų | 9 | 63.8 Ų | 63.8 | 5% | 0.047 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 110.4 | 171.4 | -80.3 | 169.2 | 0 | 0 | 0 | 109.7 | I1997 I2052 F2053 L2121 P2188 I2191 L2240 V2243 H2244 | I1997-L2000 HydrophobicContact CG2-CD2 4.33Å; I1997-L2000 HydrophobicContact CG2-CG 4.49Å; L2000-I2052 HydrophobicContact CD2-CG2 4Å; L2000-F2053 WeakPolarHBondContact CA-O 3.25Å; L2000-L2121 HydrophobicContact CD2-CD1 3.69Å; L2000-P2188 HydrophobicContact CD1-CG 4.33Å; L2000-I2191 HydrophobicContact CD1-CD1 4.44Å; L2000-I2191 HydrophobicContact CD2-CD1 4.49Å; L2000-L2240 HydrophobicContact CD1-CD2 3.94Å; L2000-V2243 WeakPolarHBondContact O-CA 3.48Å; L2000-H2244 PolarHBondContact O-N 3.36Å; L2000-H2244 VanDerWaalsContact O-N 3.08Å |
| 2001 | N | 56.1 | Low | 57.9 | Low | 28 Ų | 28 | 59.3 Ų | 59.3 | 15% | 0.15 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 118.5 | 179.1 | -63.4 | -31.2 | 0 | 0 | 0 | 109.1 | F2003 F2053 D2055 H2244 | N2001-F2003 HydrophobicContact CB-CE2 3.95Å; N2001-F2053 PolarHBondContact N-O 3.35Å; N2001-F2053 PolarHBondContact O-N 3.07Å; N2001-D2055 PolarHBondContact ND2-OD2 2.9Å; N2001-H2244 WeakPolarHBondContact CA-O 3.2Å; N2001-H2244 WeakPolarHBondContact OD1-CB 3.49Å |
| 2002 | V | 71 | Confident | 60.8 | Low | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 111.3 | -176.6 | 179.7 | 0 | 0 | 0 | 0 | 109 | I2004 I2050 I2052 W2168 L2187 V2243 H2244 L2245 S2246 | V2002-I2004 HydrophobicContact CG1-CG1 4.2Å; V2002-I2050 HydrophobicContact CG1-CG2 3.99Å; V2002-I2052 HydrophobicContact CG2-CG1 4.33Å; V2002-I2052 HydrophobicContact CG2-CG2 4.26Å; V2002-W2168 HydrophobicContact CG1-CH2 3.99Å; V2002-W2168 HydrophobicContact CG1-CZ3 3.87Å; V2002-L2187 HydrophobicContact CG2-CD2 3.9Å; V2002-V2243 HydrophobicContact CB-CG1 4.41Å; V2002-V2243 HydrophobicContact CG2-CG1 3.77Å; V2002-H2244 PolarHBondContact N-O 3.1Å; V2002-L2245 HydrophobicContact CB-CD2 4.07Å; V2002-L2245 HydrophobicContact CG1-CD2 4.04Å; V2002-L2245 WeakPolarHBondContact O-CA 3.38Å; V2002-S2246 PolarHBondContact O-N 3.22Å |
| 2003 | F | 70.1 | Confident | 63.7 | Low | 95 Ų | 95 | 56.3 Ų | 56.3 | 42% | 0.417 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 126.3 | 174.5 | -63.5 | -104.1 | 0 | 0 | 0 | 108.3 | N2001 I2050 R2051 F2053 S2246 | N2001-F2003 HydrophobicContact CB-CE2 3.95Å; F2003-I2050 CarbonylContact O-C 3.53Å; F2003-I2050 WeakPolarHBondContact O-CA 3.37Å; F2003-R2051 HydrophobicContact CB-CB 4.34Å; F2003-R2051 PolarHBondContact N-O 2.92Å; F2003-R2051 PolarHBondContact O-N 3.14Å; F2003-F2053 AromaticContact CD2-CD2 3.53Å; F2003-F2053 HydrophobicContact CD2-CD2 3.53Å; F2003-F2053 AromaticContact CD2-CE2 3.66Å; F2003-F2053 HydrophobicContact CD2-CE2 3.66Å; F2003-F2053 AromaticContact CE2-CD2 3.57Å; F2003-F2053 HydrophobicContact CE2-CD2 3.57Å; F2003-F2053 AromaticContact CE2-CE2 3.91Å; F2003-F2053 HydrophobicContact CE2-CE2 3.91Å; F2003-F2053 HydrophobicContact CG-CE2 4.45Å; F2003-S2246 VanDerWaalsContact CD1-CB 3.48Å |
| 2004 | I | 81 | Confident | 66.6 | Low | 30 Ų | 30 | 57.1 Ų | 57.1 | 15% | 0.154 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 129.6 | 172.8 | -56.8 | 176.8 | 0 | 0 | 0 | 106.9 | V2002 L2048 I2050 W2168 V2171 W2172 L2245 | V2002-I2004 HydrophobicContact CG1-CG1 4.2Å; I2004-L2048 HydrophobicContact CG2-CD1 3.58Å; I2004-L2048 HydrophobicContact CG2-CG 4.16Å; I2004-I2050 HydrophobicContact CG1-CG1 4.14Å; I2004-I2050 HydrophobicContact CG1-CG2 4.31Å; I2004-I2050 HydrophobicContact CG2-CG1 4.3Å; I2004-W2168 HydrophobicContact CD1-CE3 3.91Å; I2004-W2168 HydrophobicContact CD1-CZ3 4.06Å; I2004-W2168 HydrophobicContact CG1-CE3 4.45Å; I2004-V2171 HydrophobicContact CD1-CG1 3.94Å; I2004-W2172 HydrophobicContact CG2-CB 4.42Å; I2004-L2245 HydrophobicContact CD1-CD2 4.02Å; I2004-L2245 HydrophobicContact CG1-CD2 4.43Å |
| 2005 | T | 79.4 | Confident | 69.1 | Low | 61 Ų | 61 | 57.6 Ų | 57.6 | 37% | 0.374 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 132.4 | 173.2 | -173.3 | 0 | 0 | 0 | 0 | 111.1 | C2007 L2048 S2049 | T2005-C2007 WeakPolarHBondContact OG1-CB 3.22Å; T2005-C2007 PolarHBondContact OG1-N 3.47Å; T2005-L2048 CarbonylContact O-C 3.59Å; T2005-L2048 WeakPolarHBondContact O-CA 3.35Å; T2005-S2049 PolarHBondContact N-O 3.35Å; T2005-S2049 PolarHBondContact O-N 2.97Å |
| 2006 | T | 83.2 | Confident | 71.8 | Confident | 7 Ų | 7 | 58.1 Ų | 58.1 | 4% | 0.043 | 30% | 0.299 | C | S | . | . | trans | -91.9 | -9.1 | 174.7 | 39 | 0 | 0 | 0 | 0 | 112.1 | S2008 D2019 I2022 Q2047 L2048 Y2128 W2172 | T2006-S2008 PolarHBondContact O-N 3.35Å; T2006-S2008 PolarHBondContact O-OG 3.25Å; T2006-D2019 HydrophobicContact CG2-CB 3.96Å; T2006-D2019 WeakPolarHBondContact OG1-CB 3.25Å; T2006-D2019 PolarHBondContact OG1-OD2 3.44Å; T2006-I2022 WeakPolarHBondContact O-CD1 3.29Å; T2006-Q2047 CarbonylContact C-O 3.48Å; T2006-Q2047 WeakPolarHBondContact CA-O 3.39Å; T2006-L2048 HydrophobicContact CG2-CD1 3.54Å; T2006-Y2128 HydrophobicContact CG2-CD1 3.87Å; T2006-Y2128 HydrophobicContact CG2-CD2 4.11Å; T2006-Y2128 HydrophobicContact CG2-CE1 3.6Å; T2006-Y2128 HydrophobicContact CG2-CE2 3.81Å; T2006-Y2128 HydrophobicContact CG2-CG 4.17Å; T2006-W2172 HydrophobicContact CG2-CD2 4.27Å; T2006-W2172 HydrophobicContact CG2-CG 4.43Å; T2006-W2172 HydrophobicContact CG2-CZ2 4.11Å | ||
| 2007 | C | 82.9 | Confident | 73.9 | Confident | 30 Ų | 30 | 55.2 Ų | 55.2 | 20% | 0.203 | 28% | 0.279 | C | S | . | . | trans | -62.5 | 116.2 | -176.3 | -174.8 | 0 | 0 | 0 | 0 | 110.7 | T2005 Y2018 | T2005-C2007 WeakPolarHBondContact OG1-CB 3.22Å; T2005-C2007 PolarHBondContact OG1-N 3.47Å; C2007-Y2018 HydrophobicContact CB-CD1 4.33Å; C2007-Y2018 HydrophobicContact CB-CE1 4.37Å | ||
| 2008 | S | 83.3 | Confident | 75.8 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 3% | 0.028 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 124.2 | -169.2 | -58 | 0 | 0 | 0 | 0 | 111 | T2006 C2010 V2017 I2022 Q2047 | T2006-S2008 PolarHBondContact O-N 3.35Å; T2006-S2008 PolarHBondContact O-OG 3.25Å; S2008-C2010 PolarHBondContact O-N 3.25Å; S2008-V2017 PolarHBondContact N-O 2.8Å; S2008-V2017 PolarHBondContact O-N 3.29Å; S2008-I2022 WeakPolarHBondContact OG-CD1 3.28Å; S2008-Q2047 PolarHBondContact OG-N 3.48Å; S2008-Q2047 PolarHBondContact OG-O 2.84Å |
| 2009 | T | 87.1 | Confident | 77.8 | Confident | 72 Ų | 72 | 58 Ų | 58 | 44% | 0.442 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 122 | 177.1 | -21.2 | 0 | 0 | 0 | 0 | 110.7 | K2014 Y2016 | T2009-K2014 WeakPolarHBondContact CG2-O 3.31Å; T2009-Y2016 HydrophobicContact CG2-CD1 4.19Å; T2009-Y2016 HydrophobicContact CG2-CE1 4.05Å |
| 2010 | C | 88.7 | Confident | 79.4 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.007 | 30% | 0.298 | C | S | . | . | trans | -64.2 | 126.5 | 176.5 | 177.6 | 0 | 0 | 0 | 0 | 110.6 | S2008 K2012 C2013 K2014 H2015 V2017 C2037 | S2008-C2010 PolarHBondContact O-N 3.25Å; C2010-K2012 PolarHBondContact O-N 2.83Å; C2010-K2012 VanDerWaalsContact O-N 3.13Å; C2010-C2013 VanDerWaalsContact SG-SG 3.69Å; C2010-K2014 VanDerWaalsContact O-CA 3.22Å; C2010-K2014 WeakPolarHBondContact O-CA 3.23Å; C2010-K2014 PolarHBondContact O-N 2.8Å; C2010-H2015 PolarHBondContact N-O 2.88Å; C2010-V2017 HydrophobicContact CB-CG2 4.07Å; C2010-C2037 HydrophobicContact CB-CB 3.99Å; C2010-C2037 WeakPolarHBondContact SG-CB 3.29Å; C2010-C2037 VanDerWaalsContact SG-SG 3.66Å | ||
| 2011 | P | 84.3 | Confident | 80.6 | Confident | 101 Ų | 101 | 63 Ų | 63 | 66% | 0.656 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -17.7 | -175.4 | 25.3 | -34.7 | 0 | 0 | 0 | 114.4 | F2044 | P2011-F2044 HydrophobicContact CG-CB 3.78Š|
| 2012 | K | 85.3 | Confident | 81.9 | Confident | 143 Ų | 143 | 61.6 Ų | 61.6 | 62% | 0.622 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -56.8 | -178.9 | -171.9 | -174.2 | -177.8 | -176.7 | 0 | 113.4 | C2010 T2042 | C2010-K2012 PolarHBondContact O-N 2.83Å; C2010-K2012 VanDerWaalsContact O-N 3.13Å; K2012-T2042 HydrophobicContact CB-CG2 4.24Å; K2012-T2042 HydrophobicContact CD-CG2 3.96Å; K2012-T2042 WeakPolarHBondContact CD-OG1 3.29Å; K2012-T2042 PolarHBondContact NZ-OG1 3.42Å |
| 2013 | C | 88.3 | Confident | 82.5 | Confident | 41 Ų | 41 | 64.5 Ų | 64.5 | 28% | 0.277 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -0.3 | -176.1 | 66.7 | 0 | 0 | 0 | 0 | 114.4 | C2010 H2015 C2037 C2040 | C2010-C2013 VanDerWaalsContact SG-SG 3.69Å; C2013-H2015 PolarHBondContact O-N 3.4Å; C2013-H2015 PolarHBondContact O-ND1 2.9Å; C2013-H2015 VanDerWaalsContact O-ND1 3.15Å; C2013-C2037 VanDerWaalsContact SG-SG 3.61Å; C2013-C2040 HydrophobicContact CB-CB 3.94Å |
| 2014 | K | 86.7 | Confident | 82.8 | Confident | 163 Ų | 163 | 63.9 Ų | 63.9 | 71% | 0.709 | 33% | 0.327 | S | S | * | . | trans | 53.6 | 11.5 | -177.6 | -62.3 | -168.7 | 177 | -175 | 0 | 116.2 | T2009 C2010 | T2009-K2014 WeakPolarHBondContact CG2-O 3.31Å; C2010-K2014 VanDerWaalsContact O-CA 3.22Å; C2010-K2014 WeakPolarHBondContact O-CA 3.23Å; C2010-K2014 PolarHBondContact O-N 2.8Å | ||
| 2015 | H | 78.4 | Confident | 82.5 | Confident | 94 Ų | 94 | 62.7 Ų | 62.7 | 44% | 0.435 | 32% | 0.322 | S | S | . | . | trans | -66.2 | 140.4 | 168.3 | -78.6 | 47.8 | 0 | 0 | 0 | 110 | C2010 C2013 F2039 | C2010-H2015 PolarHBondContact N-O 2.88Å; C2013-H2015 PolarHBondContact O-N 3.4Å; C2013-H2015 PolarHBondContact O-ND1 2.9Å; C2013-H2015 VanDerWaalsContact O-ND1 3.15Å; H2015-F2039 HydrophobicContact CB-CD2 3.55Å; H2015-F2039 HydrophobicContact CB-CE2 3.96Å; H2015-F2039 HydrophobicContact CB-CG 4.21Å; H2015-F2039 AromaticContact CD2-CD1 3.86Å; H2015-F2039 AromaticContact CD2-CD2 3.75Å; H2015-F2039 AromaticContact CD2-CG 3.66Å; H2015-F2039 AromaticContact CG-CD2 3.89Å | ||
| 2016 | Y | 86.9 | Confident | 82.6 | Confident | 134 Ų | 134 | 61.6 Ų | 61.6 | 53% | 0.525 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 130.7 | 164.5 | -68.5 | -79.8 | 0 | 0 | 0 | 108.7 | T2009 | T2009-Y2016 HydrophobicContact CG2-CD1 4.19Å; T2009-Y2016 HydrophobicContact CG2-CE1 4.05Å |
| 2017 | V | 77.7 | Confident | 82.1 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 124.3 | 177.2 | -165.2 | 0 | 0 | 0 | 0 | 107.1 | S2008 C2010 E2021 I2022 C2037 P2038 F2044 | S2008-V2017 PolarHBondContact N-O 2.8Å; S2008-V2017 PolarHBondContact O-N 3.29Å; C2010-V2017 HydrophobicContact CB-CG2 4.07Å; V2017-E2021 VanDerWaalsContact CA-OE2 3.3Å; V2017-E2021 WeakPolarHBondContact CA-OE2 3.24Å; V2017-E2021 HydrophobicContact CG1-CB 3.53Å; V2017-I2022 HydrophobicContact CB-CG1 4.32Å; V2017-I2022 HydrophobicContact CG1-CG1 3.88Å; V2017-I2022 WeakPolarHBondContact O-CD1 3.18Å; V2017-C2037 HydrophobicContact CG2-CB 4.31Å; V2017-P2038 HydrophobicContact CG1-CG 4.48Å; V2017-F2044 HydrophobicContact CB-CZ 4Å; V2017-F2044 HydrophobicContact CG1-CZ 4.31Å; V2017-F2044 HydrophobicContact CG2-CE1 4.25Å; V2017-F2044 HydrophobicContact CG2-CZ 3.9Å |
| 2018 | Y | 83.6 | Confident | 81.6 | Confident | 118 Ų | 118 | 67.6 Ų | 67.6 | 46% | 0.463 | 35% | 0.349 | S | S | . | . | trans | -91.2 | 171.6 | -175.5 | -67 | -91.3 | 0 | 0 | 0 | 111.6 | C2007 E2020 E2021 I2022 | C2007-Y2018 HydrophobicContact CB-CD1 4.33Å; C2007-Y2018 HydrophobicContact CB-CE1 4.37Å; Y2018-E2020 PolarHBondContact O-N 3.08Å; Y2018-E2021 PolarHBondContact N-OE2 3.16Å; Y2018-E2021 PolarHBondContact O-N 2.89Å; Y2018-I2022 WeakPolarHBondContact O-CB 3.37Å; Y2018-I2022 WeakPolarHBondContact O-CD1 3.3Å; Y2018-I2022 VanDerWaalsContact O-CG1 3.24Å; Y2018-I2022 WeakPolarHBondContact O-CG1 3.39Å; Y2018-I2022 PolarHBondContact O-N 3.35Å | ||
| 2019 | D | 79.7 | Confident | 81.2 | Confident | 34 Ų | 34 | 71 Ų | 71 | 18% | 0.182 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.5 | -41 | -177.5 | 24.4 | 19.5 | 0 | 0 | 0 | 113.4 | T2006 E2021 I2022 M2023 Y2128 W2172 | T2006-D2019 HydrophobicContact CG2-CB 3.96Å; T2006-D2019 WeakPolarHBondContact OG1-CB 3.25Å; T2006-D2019 PolarHBondContact OG1-OD2 3.44Å; D2019-E2021 VanDerWaalsContact C-N 3.27Å; D2019-E2021 PolarHBondContact O-N 3.36Å; D2019-I2022 PolarHBondContact O-N 3.27Å; D2019-M2023 VanDerWaalsContact O-CB 3.25Å; D2019-M2023 WeakPolarHBondContact O-CB 3.44Å; D2019-M2023 WeakPolarHBondContact O-CG 3.48Å; D2019-M2023 PolarHBondContact O-N 3.3Å; D2019-Y2128 HydrophobicContact CB-CE1 3.93Å; D2019-Y2128 WeakPolarHBondContact CB-OH 3.39Å; D2019-W2172 HydrophobicContact CB-CZ2 3.92Å; D2019-W2172 WeakPolarHBondContact OD2-CZ2 3.43Å |
| 2020 | E | 78.1 | Confident | 80.5 | Confident | 114 Ų | 114 | 70.5 Ų | 70.5 | 53% | 0.533 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -55.9 | -43.1 | 176.4 | -54.2 | -57.1 | 166.2 | 0 | 0 | 112.5 | Y2018 A2024 R2176 | Y2018-E2020 PolarHBondContact O-N 3.08Å; E2020-A2024 WeakPolarHBondContact O-CB 3.15Å; E2020-A2024 PolarHBondContact O-N 3.1Å; E2020-R2176 IonicContact OE1-CZ 3.22Å; E2020-R2176 VanDerWaalsContact OE1-CZ 3.25Å; E2020-R2176 IonicContact OE1-NH1 2.78Å; E2020-R2176 PolarHBondContact OE1-NH1 3.07Å; E2020-R2176 IonicContact OE1-NH2 2.72Å; E2020-R2176 PolarHBondContact OE1-NH2 2.77Å; E2020-R2176 IonicContact OE2-CZ 3.8Å; E2020-R2176 IonicContact OE2-NH1 2.84Å; E2020-R2176 PolarHBondContact OE2-NH1 2.8Å; E2020-R2176 IonicContact OE2-NH2 3.04Å; E2020-R2176 PolarHBondContact OE2-NH2 2.94Å |
| 2021 | E | 81.3 | Confident | 79.9 | Confident | 52 Ų | 52 | 75 Ų | 75 | 24% | 0.243 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -74.5 | -39.2 | -178.8 | -61.4 | 172.2 | 131.3 | 0 | 0 | 111.7 | V2017 Y2018 D2019 A2024 G2025 P2038 F2039 | V2017-E2021 VanDerWaalsContact CA-OE2 3.3Å; V2017-E2021 WeakPolarHBondContact CA-OE2 3.24Å; V2017-E2021 HydrophobicContact CG1-CB 3.53Å; Y2018-E2021 PolarHBondContact N-OE2 3.16Å; Y2018-E2021 PolarHBondContact O-N 2.89Å; D2019-E2021 VanDerWaalsContact C-N 3.27Å; D2019-E2021 PolarHBondContact O-N 3.36Å; E2021-A2024 PolarHBondContact O-N 3.01Å; E2021-G2025 PolarHBondContact O-N 3.3Å; E2021-P2038 HydrophobicContact CB-CG 4.11Å; E2021-P2038 HydrophobicContact CG-CG 4.3Å; E2021-F2039 WeakPolarHBondContact OE1-CZ 3.48Å |
| 2022 | I | 83.9 | Confident | 79.6 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 174.4 | -69.9 | 161.1 | 0 | 0 | 0 | 110.5 | T2006 S2008 V2017 Y2018 D2019 G2025 W2026 T2035 P2046 Y2128 | T2006-I2022 WeakPolarHBondContact O-CD1 3.29Å; S2008-I2022 WeakPolarHBondContact OG-CD1 3.28Å; V2017-I2022 HydrophobicContact CB-CG1 4.32Å; V2017-I2022 HydrophobicContact CG1-CG1 3.88Å; V2017-I2022 WeakPolarHBondContact O-CD1 3.18Å; Y2018-I2022 WeakPolarHBondContact O-CB 3.37Å; Y2018-I2022 WeakPolarHBondContact O-CD1 3.3Å; Y2018-I2022 VanDerWaalsContact O-CG1 3.24Å; Y2018-I2022 WeakPolarHBondContact O-CG1 3.39Å; Y2018-I2022 PolarHBondContact O-N 3.35Å; D2019-I2022 PolarHBondContact O-N 3.27Å; I2022-G2025 PolarHBondContact O-N 2.93Å; I2022-W2026 HydrophobicContact CG2-CZ2 3.94Å; I2022-W2026 PolarHBondContact O-N 3.49Å; I2022-T2035 HydrophobicContact CB-CG2 4.31Å; I2022-T2035 HydrophobicContact CG1-CG2 4.16Å; I2022-T2035 HydrophobicContact CG2-CG2 4Å; I2022-T2035 PolarHBondContact O-OG1 2.84Å; I2022-P2046 HydrophobicContact CB-CB 4.43Å; I2022-P2046 HydrophobicContact CD1-CB 3.82Å; I2022-P2046 HydrophobicContact CG1-CB 3.94Å; I2022-P2046 HydrophobicContact CG2-CB 3.63Å; I2022-P2046 HydrophobicContact CG2-CG 3.59Å; I2022-Y2128 HydrophobicContact CB-CD1 4.26Å; I2022-Y2128 HydrophobicContact CB-CE1 3.95Å; I2022-Y2128 HydrophobicContact CD1-CD1 3.94Å; I2022-Y2128 HydrophobicContact CD1-CE1 4.12Å; I2022-Y2128 HydrophobicContact CG2-CD1 3.52Å; I2022-Y2128 HydrophobicContact CG2-CE1 3.47Å; I2022-Y2128 VanDerWaalsContact CG2-CE1 3.47Å |
| 2023 | M | 82.8 | Confident | 79.5 | Confident | 61 Ų | 61 | 68.5 Ų | 68.5 | 30% | 0.3 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.6 | -43 | 177.1 | -73.7 | -171.2 | 63.8 | 0 | 0 | 111.8 | D2019 G2025 W2026 W2172 R2176 | D2019-M2023 VanDerWaalsContact O-CB 3.25Å; D2019-M2023 WeakPolarHBondContact O-CB 3.44Å; D2019-M2023 WeakPolarHBondContact O-CG 3.48Å; D2019-M2023 PolarHBondContact O-N 3.3Å; M2023-G2025 PolarHBondContact O-N 3.13Å; M2023-W2026 HydrophobicContact CB-CE3 4.1Å; M2023-W2026 HydrophobicContact CB-CZ3 4.21Å; M2023-W2026 HydrophobicContact CE-CZ3 4.17Å; M2023-W2026 HydrophobicContact CG-CE3 3.84Å; M2023-W2026 HydrophobicContact CG-CH2 3.81Å; M2023-W2026 HydrophobicContact CG-CZ2 4.49Å; M2023-W2026 HydrophobicContact CG-CZ3 3.44Å; M2023-W2026 VanDerWaalsContact CG-CZ3 3.44Å; M2023-W2026 PolarHBondContact O-N 2.78Å; M2023-W2026 HydrophobicContact SD-CZ3 4.29Å; M2023-W2172 HydrophobicContact SD-CH2 3.82Å; M2023-R2176 PolarHBondContact SD-NH1 3.16Å; M2023-R2176 VanDerWaalsContact SD-NH1 3.45Å |
| 2024 | A | 75.3 | Confident | 79.3 | Confident | 82 Ų | 82 | 72.3 Ų | 72.3 | 68% | 0.678 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -62.8 | -26.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E2020 E2021 | E2020-A2024 WeakPolarHBondContact O-CB 3.15Å; E2020-A2024 PolarHBondContact O-N 3.1Å; E2021-A2024 PolarHBondContact O-N 3.01Å |
| 2025 | G | 75.6 | Confident | 79.3 | Confident | 5 Ų | 5 | 64.5 Ų | 64.5 | 5% | 0.052 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 5.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | E2021 I2022 M2023 T2035 F2036 | E2021-G2025 PolarHBondContact O-N 3.3Å; I2022-G2025 PolarHBondContact O-N 2.93Å; M2023-G2025 PolarHBondContact O-N 3.13Å; G2025-T2035 WeakPolarHBondContact CA-OG1 3.44Å; G2025-T2035 WeakPolarHBondContact O-CA 3.33Å; G2025-T2035 PolarHBondContact O-OG1 2.86Å; G2025-F2036 VanDerWaalsContact CA-CE1 3.48Å |
| 2026 | W | 81.2 | Confident | 79.7 | Confident | 37 Ų | 37 | 63.2 Ų | 63.2 | 14% | 0.14 | 32% | 0.315 | C | S | . | . | trans | -78.4 | 139.4 | 179.9 | -77.1 | -25.8 | 0 | 0 | 0 | 113.7 | I2022 M2023 Y2128 L2129 S2130 P2131 | I2022-W2026 HydrophobicContact CG2-CZ2 3.94Å; I2022-W2026 PolarHBondContact O-N 3.49Å; M2023-W2026 HydrophobicContact CB-CE3 4.1Å; M2023-W2026 HydrophobicContact CB-CZ3 4.21Å; M2023-W2026 HydrophobicContact CE-CZ3 4.17Å; M2023-W2026 HydrophobicContact CG-CE3 3.84Å; M2023-W2026 HydrophobicContact CG-CH2 3.81Å; M2023-W2026 HydrophobicContact CG-CZ2 4.49Å; M2023-W2026 HydrophobicContact CG-CZ3 3.44Å; M2023-W2026 VanDerWaalsContact CG-CZ3 3.44Å; M2023-W2026 PolarHBondContact O-N 2.78Å; M2023-W2026 HydrophobicContact SD-CZ3 4.29Å; W2026-Y2128 HydrophobicContact CH2-CD2 4.29Å; W2026-Y2128 HydrophobicContact CH2-CE1 4.17Å; W2026-Y2128 AromaticContact CH2-CE2 3.63Å; W2026-Y2128 HydrophobicContact CH2-CE2 3.63Å; W2026-Y2128 AromaticContact CH2-CZ 3.53Å; W2026-Y2128 HydrophobicContact CZ2-CD1 4.13Å; W2026-Y2128 HydrophobicContact CZ2-CD2 4.05Å; W2026-Y2128 AromaticContact CZ2-CE1 3.84Å; W2026-Y2128 HydrophobicContact CZ2-CE1 3.84Å; W2026-Y2128 AromaticContact CZ2-CE2 3.8Å; W2026-Y2128 HydrophobicContact CZ2-CE2 3.8Å; W2026-Y2128 HydrophobicContact CZ2-CG 4.18Å; W2026-Y2128 AromaticContact CZ2-CZ 3.65Å; W2026-L2129 WeakPolarHBondContact CH2-O 3.49Å; W2026-L2129 VanDerWaalsContact CZ2-C 3.43Å; W2026-L2129 VanDerWaalsContact CZ2-O 3.31Å; W2026-L2129 WeakPolarHBondContact CZ2-O 3.35Å; W2026-S2130 VanDerWaalsContact CD2-CB 3.46Å; W2026-P2131 HydrophobicContact CZ3-CG 4.13Å | ||
| 2027 | S | 73.4 | Confident | 79.7 | Confident | 48 Ų | 48 | 56.9 Ų | 56.9 | 34% | 0.336 | 29% | 0.29 | S | S | . | . | trans | -74.4 | 155.2 | 172.7 | -170 | 0 | 0 | 0 | 0 | 112.4 | D2029 | S2027-D2029 VanDerWaalsContact C-N 3.27Å; S2027-D2029 WeakPolarHBondContact OG-CB 3.38Å; S2027-D2029 PolarHBondContact OG-N 2.94Å | ||
| 2028 | T | 72.6 | Confident | 79.7 | Confident | 115 Ų | 115 | 59.2 Ų | 59.2 | 71% | 0.706 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -78.8 | -9.9 | 164.4 | 51.3 | 0 | 0 | 0 | 0 | 112.9 | E2030 F2132 | T2028-E2030 PolarHBondContact O-N 2.88Å; T2028-F2132 HydrophobicContact CG2-CE2 4.46Å |
| 2029 | D | 74.1 | Confident | 79.7 | Confident | 76 Ų | 76 | 57.2 Ų | 57.2 | 41% | 0.406 | 30% | 0.3 | S | S | . | . | trans | -69.3 | 116.5 | 170.6 | -173.4 | -13.2 | 0 | 0 | 0 | 110.1 | S2027 N2031 D2032 | S2027-D2029 VanDerWaalsContact C-N 3.27Å; S2027-D2029 WeakPolarHBondContact OG-CB 3.38Å; S2027-D2029 PolarHBondContact OG-N 2.94Å; D2029-N2031 PolarHBondContact O-N 3.34Å; D2029-N2031 WeakPolarHBondContact OD1-CB 3.34Å; D2029-N2031 PolarHBondContact OD1-N 2.83Å; D2029-N2031 PolarHBondContact OD1-ND2 3.15Å; D2029-D2032 PolarHBondContact O-N 2.75Å; D2029-D2032 VanDerWaalsContact O-N 3.14Å | ||
| 2030 | E | 72.8 | Confident | 80.2 | Confident | 61 Ų | 61 | 57.1 Ų | 57.1 | 29% | 0.285 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -5 | 178.9 | -49.1 | -174.9 | 138.5 | 0 | 0 | 114.3 | T2028 F2132 V2133 K2136 | T2028-E2030 PolarHBondContact O-N 2.88Å; E2030-F2132 HydrophobicContact CB-CB 4.46Å; E2030-F2132 HydrophobicContact CG-CB 4.2Å; E2030-V2133 WeakPolarHBondContact O-CG2 3.31Å; E2030-K2136 HydrophobicContact CB-CB 4.07Å; E2030-K2136 HydrophobicContact CB-CD 3.53Å; E2030-K2136 HydrophobicContact CB-CG 4.45Å; E2030-K2136 IonicContact OE2-NZ 3.7Å |
| 2031 | N | 76.9 | Confident | 80.5 | Confident | 95 Ų | 95 | 59.5 Ų | 59.5 | 51% | 0.508 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -14.5 | 176.8 | -50.3 | -75.9 | 0 | 0 | 0 | 114.1 | D2029 H2033 K2136 | D2029-N2031 PolarHBondContact O-N 3.34Å; D2029-N2031 WeakPolarHBondContact OD1-CB 3.34Å; D2029-N2031 PolarHBondContact OD1-N 2.83Å; D2029-N2031 PolarHBondContact OD1-ND2 3.15Å; N2031-H2033 PolarHBondContact O-CD2 2.71Å; N2031-H2033 PolarHBondContact O-N 3.43Å; N2031-K2136 PolarHBondContact OD1-NZ 3.22Å |
| 2032 | D | 77.6 | Confident | 80.8 | Confident | 26 Ų | 26 | 58.8 Ų | 58.8 | 14% | 0.139 | 31% | 0.309 | C | S | . | . | trans | -88.5 | 110.9 | -173.8 | -154.9 | -19.6 | 0 | 0 | 0 | 112.7 | D2029 R2034 V2133 | D2029-D2032 PolarHBondContact O-N 2.75Å; D2029-D2032 VanDerWaalsContact O-N 3.14Å; D2032-R2034 VanDerWaalsContact C-N 3.27Å; D2032-R2034 PolarHBondContact O-N 3.26Å; D2032-R2034 VanDerWaalsContact OD1-CB 3.27Å; D2032-R2034 WeakPolarHBondContact OD1-CB 3.38Å; D2032-R2034 WeakPolarHBondContact OD1-CG 3.43Å; D2032-R2034 IonicContact OD1-CZ 3.66Å; D2032-R2034 PolarHBondContact OD1-N 3.07Å; D2032-R2034 IonicContact OD1-NE 3.31Å; D2032-R2034 PolarHBondContact OD1-NE 2.88Å; D2032-R2034 IonicContact OD1-NH2 3.84Å; D2032-R2034 PolarHBondContact OD1-NH2 2.87Å; D2032-R2034 IonicContact OD2-CZ 2.71Å; D2032-R2034 IonicContact OD2-NE 2.68Å; D2032-R2034 PolarHBondContact OD2-NE 2.89Å; D2032-R2034 IonicContact OD2-NH2 2.99Å; D2032-R2034 PolarHBondContact OD2-NH2 2.85Å; D2032-V2133 WeakPolarHBondContact O-CG2 2.82Å | ||
| 2033 | H | 83.6 | Confident | 81.1 | Confident | 82 Ų | 82 | 65.4 Ų | 65.4 | 38% | 0.38 | 34% | 0.335 | S | S | . | . | trans | -81.2 | -0.3 | 176.1 | -62.5 | -87.6 | 0 | 0 | 0 | 113.8 | N2031 P2046 L2129 V2133 | N2031-H2033 PolarHBondContact O-CD2 2.71Å; N2031-H2033 PolarHBondContact O-N 3.43Å; H2033-P2046 WeakPolarHBondContact O-CD 3.24Å; H2033-L2129 WeakPolarHBondContact ND1-CD2 3.4Å; H2033-V2133 VanDerWaalsContact CE1-CG1 3.49Å; H2033-V2133 WeakPolarHBondContact CE1-CG1 3.35Å | ||
| 2034 | R | 83.6 | Confident | 81.5 | Confident | 121 Ų | 121 | 63.1 Ų | 63.1 | 46% | 0.457 | 32% | 0.323 | S | S | . | . | trans | -97.9 | 151.8 | -175 | -60 | 164.8 | -64 | -171.4 | 6.6 | 111.7 | D2032 Y2043 F2044 I2045 | D2032-R2034 VanDerWaalsContact C-N 3.27Å; D2032-R2034 PolarHBondContact O-N 3.26Å; D2032-R2034 VanDerWaalsContact OD1-CB 3.27Å; D2032-R2034 WeakPolarHBondContact OD1-CB 3.38Å; D2032-R2034 WeakPolarHBondContact OD1-CG 3.43Å; D2032-R2034 IonicContact OD1-CZ 3.66Å; D2032-R2034 PolarHBondContact OD1-N 3.07Å; D2032-R2034 IonicContact OD1-NE 3.31Å; D2032-R2034 PolarHBondContact OD1-NE 2.88Å; D2032-R2034 IonicContact OD1-NH2 3.84Å; D2032-R2034 PolarHBondContact OD1-NH2 2.87Å; D2032-R2034 IonicContact OD2-CZ 2.71Å; D2032-R2034 IonicContact OD2-NE 2.68Å; D2032-R2034 PolarHBondContact OD2-NE 2.89Å; D2032-R2034 IonicContact OD2-NH2 2.99Å; D2032-R2034 PolarHBondContact OD2-NH2 2.85Å; R2034-Y2043 HydrophobicContact CB-CD1 4.17Å; R2034-F2044 VanDerWaalsContact CA-O 3.3Å; R2034-F2044 WeakPolarHBondContact CA-O 3.21Å; R2034-I2045 HydrophobicContact CG-CG1 3.92Å | ||
| 2035 | T | 86.9 | Confident | 82.2 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 158.6 | 162.3 | -168 | 0 | 0 | 0 | 0 | 108.5 | I2022 G2025 Y2043 F2044 P2046 | I2022-T2035 HydrophobicContact CB-CG2 4.31Å; I2022-T2035 HydrophobicContact CG1-CG2 4.16Å; I2022-T2035 HydrophobicContact CG2-CG2 4Å; I2022-T2035 PolarHBondContact O-OG1 2.84Å; G2025-T2035 WeakPolarHBondContact CA-OG1 3.44Å; G2025-T2035 WeakPolarHBondContact O-CA 3.33Å; G2025-T2035 PolarHBondContact O-OG1 2.86Å; T2035-Y2043 CarbonylContact O-C 3.59Å; T2035-Y2043 VanDerWaalsContact O-CA 3.3Å; T2035-Y2043 WeakPolarHBondContact O-CA 3.46Å; T2035-F2044 HydrophobicContact CG2-CD1 4.07Å; T2035-F2044 HydrophobicContact CG2-CE1 3.49Å; T2035-F2044 VanDerWaalsContact CG2-CE1 3.49Å; T2035-F2044 HydrophobicContact CG2-CE2 4.33Å; T2035-F2044 HydrophobicContact CG2-CZ 3.65Å; T2035-F2044 PolarHBondContact N-O 3.35Å; T2035-F2044 PolarHBondContact O-N 3.46Å; T2035-F2044 VanDerWaalsContact O-O 3.07Å; T2035-P2046 HydrophobicContact CG2-CB 3.99Å; T2035-P2046 HydrophobicContact CG2-CG 3.85Å |
| 2036 | F | 86.1 | Confident | 82.9 | Confident | 67 Ų | 67 | 63.3 Ų | 63.3 | 29% | 0.294 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 136.9 | 168.6 | 65.4 | -96.7 | 0 | 0 | 0 | 110.7 | G2025 Y2043 | G2025-F2036 VanDerWaalsContact CA-CE1 3.48Å; F2036-Y2043 HydrophobicContact CB-CD1 4.07Å; F2036-Y2043 HydrophobicContact CB-CD2 4.48Å; F2036-Y2043 HydrophobicContact CB-CE1 3.98Å; F2036-Y2043 HydrophobicContact CB-CE2 4.39Å; F2036-Y2043 HydrophobicContact CB-CG 4.33Å; F2036-Y2043 HydrophobicContact CD1-CE1 4.19Å |
| 2037 | C | 86.9 | Confident | 83.3 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | trans | -68.2 | 124.6 | 170.6 | 171.8 | 0 | 0 | 0 | 0 | 109.5 | C2010 C2013 V2017 F2039 C2040 K2041 T2042 F2044 | C2010-C2037 HydrophobicContact CB-CB 3.99Å; C2010-C2037 WeakPolarHBondContact SG-CB 3.29Å; C2010-C2037 VanDerWaalsContact SG-SG 3.66Å; C2013-C2037 VanDerWaalsContact SG-SG 3.61Å; V2017-C2037 HydrophobicContact CG2-CB 4.31Å; C2037-F2039 VanDerWaalsContact C-N 3.32Å; C2037-F2039 PolarHBondContact O-N 2.92Å; C2037-C2040 PolarHBondContact O-N 3.34Å; C2037-K2041 WeakPolarHBondContact O-CA 3.39Å; C2037-K2041 PolarHBondContact O-N 3.36Å; C2037-T2042 PolarHBondContact N-O 3.39Å; C2037-F2044 HydrophobicContact CB-CD1 4.06Å; C2037-F2044 HydrophobicContact CB-CE1 3.76Å | ||
| 2038 | P | 76.9 | Confident | 84 | Confident | 49 Ų | 49 | 64 Ų | 64 | 32% | 0.318 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -42.5 | -176.6 | 23.5 | -33.5 | 0 | 0 | 0 | 111.9 | V2017 E2021 C2040 | V2017-P2038 HydrophobicContact CG1-CG 4.48Å; E2021-P2038 HydrophobicContact CB-CG 4.11Å; E2021-P2038 HydrophobicContact CG-CG 4.3Å; P2038-C2040 VanDerWaalsContact C-N 3.31Å; P2038-C2040 PolarHBondContact O-N 2.9Å |
| 2039 | F | 84.7 | Confident | 84.5 | Confident | 77 Ų | 77 | 59.4 Ų | 59.4 | 34% | 0.338 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -24.7 | -177.5 | -48.8 | -71.4 | 0 | 0 | 0 | 115.1 | H2015 E2021 C2037 | H2015-F2039 HydrophobicContact CB-CD2 3.55Å; H2015-F2039 HydrophobicContact CB-CE2 3.96Å; H2015-F2039 HydrophobicContact CB-CG 4.21Å; H2015-F2039 AromaticContact CD2-CD1 3.86Å; H2015-F2039 AromaticContact CD2-CD2 3.75Å; H2015-F2039 AromaticContact CD2-CG 3.66Å; H2015-F2039 AromaticContact CG-CD2 3.89Å; E2021-F2039 WeakPolarHBondContact OE1-CZ 3.48Å; C2037-F2039 VanDerWaalsContact C-N 3.32Å; C2037-F2039 PolarHBondContact O-N 2.92Å |
| 2040 | C | 89.2 | Confident | 85 | Confident | 31 Ų | 31 | 55.8 Ų | 55.8 | 21% | 0.209 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -141.2 | 10.8 | -175.4 | 74 | 0 | 0 | 0 | 0 | 115.3 | C2013 C2037 P2038 T2042 | C2013-C2040 HydrophobicContact CB-CB 3.94Å; C2037-C2040 PolarHBondContact O-N 3.34Å; P2038-C2040 VanDerWaalsContact C-N 3.31Å; P2038-C2040 PolarHBondContact O-N 2.9Å; C2040-T2042 PolarHBondContact O-N 3.04Å; C2040-T2042 PolarHBondContact O-OG1 2.88Å |
| 2041 | K | 85.7 | Confident | 85.2 | Confident | 165 Ų | 165 | 58.6 Ų | 58.6 | 72% | 0.717 | 27% | 0.271 | S | S | * | . | trans | 43.4 | 26.8 | -179 | -59.5 | -165.8 | 177.2 | -172.7 | 0 | 115.5 | C2037 | C2037-K2041 WeakPolarHBondContact O-CA 3.39Å; C2037-K2041 PolarHBondContact O-N 3.36Å | ||
| 2042 | T | 86.8 | Confident | 85.2 | Confident | 36 Ų | 36 | 54 Ų | 54 | 22% | 0.221 | 25% | 0.247 | C | C | . | . | trans | -96.9 | 125.1 | -177.5 | -59.9 | 0 | 0 | 0 | 0 | 108.9 | K2012 C2037 C2040 | K2012-T2042 HydrophobicContact CB-CG2 4.24Å; K2012-T2042 HydrophobicContact CD-CG2 3.96Å; K2012-T2042 WeakPolarHBondContact CD-OG1 3.29Å; K2012-T2042 PolarHBondContact NZ-OG1 3.42Å; C2037-T2042 PolarHBondContact N-O 3.39Å; C2040-T2042 PolarHBondContact O-N 3.04Å; C2040-T2042 PolarHBondContact O-OG1 2.88Å | ||
| 2043 | Y | 89.9 | Confident | 84.4 | Confident | 139 Ų | 139 | 55.5 Ų | 55.5 | 55% | 0.545 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 132.4 | 177.3 | -72.8 | -88.4 | 0 | 0 | 0 | 111 | R2034 T2035 F2036 | R2034-Y2043 HydrophobicContact CB-CD1 4.17Å; T2035-Y2043 CarbonylContact O-C 3.59Å; T2035-Y2043 VanDerWaalsContact O-CA 3.3Å; T2035-Y2043 WeakPolarHBondContact O-CA 3.46Å; F2036-Y2043 HydrophobicContact CB-CD1 4.07Å; F2036-Y2043 HydrophobicContact CB-CD2 4.48Å; F2036-Y2043 HydrophobicContact CB-CE1 3.98Å; F2036-Y2043 HydrophobicContact CB-CE2 4.39Å; F2036-Y2043 HydrophobicContact CB-CG 4.33Å; F2036-Y2043 HydrophobicContact CD1-CE1 4.19Å |
| 2044 | F | 92.1 | Very high | 83 | Confident | 14 Ų | 14 | 52.5 Ų | 52.5 | 6% | 0.061 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 162 | 175.5 | 73.3 | -73.6 | 0 | 0 | 0 | 109.7 | P2011 V2017 R2034 T2035 C2037 P2046 | P2011-F2044 HydrophobicContact CG-CB 3.78Å; V2017-F2044 HydrophobicContact CB-CZ 4Å; V2017-F2044 HydrophobicContact CG1-CZ 4.31Å; V2017-F2044 HydrophobicContact CG2-CE1 4.25Å; V2017-F2044 HydrophobicContact CG2-CZ 3.9Å; R2034-F2044 VanDerWaalsContact CA-O 3.3Å; R2034-F2044 WeakPolarHBondContact CA-O 3.21Å; T2035-F2044 HydrophobicContact CG2-CD1 4.07Å; T2035-F2044 HydrophobicContact CG2-CE1 3.49Å; T2035-F2044 VanDerWaalsContact CG2-CE1 3.49Å; T2035-F2044 HydrophobicContact CG2-CE2 4.33Å; T2035-F2044 HydrophobicContact CG2-CZ 3.65Å; T2035-F2044 PolarHBondContact N-O 3.35Å; T2035-F2044 PolarHBondContact O-N 3.46Å; T2035-F2044 VanDerWaalsContact O-O 3.07Å; C2037-F2044 HydrophobicContact CB-CD1 4.06Å; C2037-F2044 HydrophobicContact CB-CE1 3.76Å; F2044-P2046 HydrophobicContact CE2-CB 4.1Å; F2044-P2046 HydrophobicContact CZ-CB 4.49Å; F2044-P2046 WeakPolarHBondContact O-CD 3.48Å |
| 2045 | I | 90.5 | Very high | 81.1 | Confident | 91 Ų | 91 | 47.4 Ų | 47.4 | 47% | 0.467 | 23% | 0.225 | S | C | . | . | trans | -88.2 | 115.4 | 173.2 | -62.4 | 176.4 | 0 | 0 | 0 | 107.1 | R2034 | R2034-I2045 HydrophobicContact CG-CG1 3.92Š| ||
| 2046 | P | 88.6 | Confident | 78.7 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -73.4 | 160.9 | 179 | 31.6 | -32.7 | 0 | 0 | 0 | 110.9 | I2022 H2033 T2035 F2044 S2127 Y2128 | I2022-P2046 HydrophobicContact CB-CB 4.43Å; I2022-P2046 HydrophobicContact CD1-CB 3.82Å; I2022-P2046 HydrophobicContact CG1-CB 3.94Å; I2022-P2046 HydrophobicContact CG2-CB 3.63Å; I2022-P2046 HydrophobicContact CG2-CG 3.59Å; H2033-P2046 WeakPolarHBondContact O-CD 3.24Å; T2035-P2046 HydrophobicContact CG2-CB 3.99Å; T2035-P2046 HydrophobicContact CG2-CG 3.85Å; F2044-P2046 HydrophobicContact CE2-CB 4.1Å; F2044-P2046 HydrophobicContact CZ-CB 4.49Å; F2044-P2046 WeakPolarHBondContact O-CD 3.48Å; P2046-S2127 CarbonylContact O-C 3.54Å; P2046-S2127 VanDerWaalsContact O-CA 3.28Å; P2046-S2127 WeakPolarHBondContact O-CA 3.34Å; P2046-Y2128 HydrophobicContact CB-CD1 4.28Å; P2046-Y2128 HydrophobicContact CG-CD1 4.49Å; P2046-Y2128 PolarHBondContact O-N 3.33Å | ||
| 2047 | Q | 89.4 | Confident | 76 | Confident | 100 Ų | 100 | 52.8 Ų | 52.8 | 47% | 0.467 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 142 | -171.3 | -72.5 | -172.7 | -11.7 | 0 | 0 | 112.7 | T2006 S2008 T2125 F2126 | T2006-Q2047 CarbonylContact C-O 3.48Å; T2006-Q2047 WeakPolarHBondContact CA-O 3.39Å; S2008-Q2047 PolarHBondContact OG-N 3.48Å; S2008-Q2047 PolarHBondContact OG-O 2.84Å; Q2047-T2125 HydrophobicContact CB-CG2 3.72Å; Q2047-T2125 HydrophobicContact CG-CG2 3.91Å; Q2047-F2126 CarbonylContact C-O 3.57Å; Q2047-F2126 VanDerWaalsContact CA-O 3.29Å; Q2047-F2126 WeakPolarHBondContact CA-O 3.28Å |
| 2048 | L | 88.5 | Confident | 73.3 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 101.2 | 172.2 | -172.9 | 73.4 | 0 | 0 | 0 | 107.3 | I2004 T2005 T2006 I2050 T2125 F2126 Y2128 W2168 N2169 W2172 | I2004-L2048 HydrophobicContact CG2-CD1 3.58Å; I2004-L2048 HydrophobicContact CG2-CG 4.16Å; T2005-L2048 CarbonylContact O-C 3.59Å; T2005-L2048 WeakPolarHBondContact O-CA 3.35Å; T2006-L2048 HydrophobicContact CG2-CD1 3.54Å; L2048-I2050 HydrophobicContact CD2-CD1 4.38Å; L2048-I2050 HydrophobicContact CG-CD1 4.17Å; L2048-T2125 WeakPolarHBondContact O-CA 3.17Å; L2048-F2126 PolarHBondContact N-O 3.37Å; L2048-F2126 PolarHBondContact O-N 3.19Å; L2048-Y2128 HydrophobicContact CD1-CD2 4.35Å; L2048-W2168 HydrophobicContact CD2-CB 3.84Å; L2048-N2169 HydrophobicContact CD2-CB 4.46Å; L2048-W2172 HydrophobicContact CD1-CB 4.38Å; L2048-W2172 HydrophobicContact CD1-CG 4.21Å |
| 2049 | S | 83.8 | Confident | 70.9 | Confident | 18 Ų | 18 | 57.6 Ų | 57.6 | 13% | 0.126 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 137.2 | 177.1 | -59.7 | 0 | 0 | 0 | 0 | 110.8 | T2005 M2124 T2125 | T2005-S2049 PolarHBondContact N-O 3.35Å; T2005-S2049 PolarHBondContact O-N 2.97Å; S2049-M2124 CarbonylContact C-O 3.55Å; S2049-M2124 VanDerWaalsContact CA-O 3.29Å; S2049-M2124 WeakPolarHBondContact CA-O 3.33Å; S2049-T2125 WeakPolarHBondContact CB-OG1 3.37Å; S2049-T2125 WeakPolarHBondContact OG-CG2 3.33Å; S2049-T2125 PolarHBondContact OG-OG1 2.86Å |
| 2050 | I | 85.2 | Confident | 68 | Low | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 125.5 | 179.8 | -56.4 | 95.6 | 0 | 0 | 0 | 108.8 | V2002 F2003 I2004 L2048 I2052 E2123 M2124 F2126 W2168 | V2002-I2050 HydrophobicContact CG1-CG2 3.99Å; F2003-I2050 CarbonylContact O-C 3.53Å; F2003-I2050 WeakPolarHBondContact O-CA 3.37Å; I2004-I2050 HydrophobicContact CG1-CG1 4.14Å; I2004-I2050 HydrophobicContact CG1-CG2 4.31Å; I2004-I2050 HydrophobicContact CG2-CG1 4.3Å; L2048-I2050 HydrophobicContact CD2-CD1 4.38Å; L2048-I2050 HydrophobicContact CG-CD1 4.17Å; I2050-I2052 HydrophobicContact CG2-CG1 4.29Å; I2050-E2123 CarbonylContact O-C 3.6Å; I2050-E2123 WeakPolarHBondContact O-CA 3.43Å; I2050-M2124 HydrophobicContact CB-CE 4.27Å; I2050-M2124 HydrophobicContact CG2-CE 4.27Å; I2050-M2124 PolarHBondContact N-O 3Å; I2050-M2124 PolarHBondContact O-N 2.63Å; I2050-F2126 HydrophobicContact CD1-CD2 3.68Å; I2050-F2126 HydrophobicContact CD1-CE2 3.92Å; I2050-W2168 HydrophobicContact CB-CD2 4.49Å; I2050-W2168 HydrophobicContact CD1-CB 3.72Å; I2050-W2168 HydrophobicContact CD1-CD2 4.02Å; I2050-W2168 HydrophobicContact CD1-CG 3.6Å; I2050-W2168 HydrophobicContact CG1-CB 4.27Å; I2050-W2168 HydrophobicContact CG1-CD2 3.81Å; I2050-W2168 HydrophobicContact CG1-CE3 3.94Å; I2050-W2168 HydrophobicContact CG1-CG 3.95Å; I2050-W2168 HydrophobicContact CG2-CD2 4.26Å; I2050-W2168 HydrophobicContact CG2-CE3 4.11Å; I2050-W2168 HydrophobicContact CG2-CH2 3.91Å; I2050-W2168 HydrophobicContact CG2-CZ2 4.06Å; I2050-W2168 HydrophobicContact CG2-CZ3 3.93Å |
| 2051 | R | 75.9 | Confident | 64.9 | Low | 119 Ų | 119 | 62.5 Ų | 62.5 | 45% | 0.449 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 132.2 | 175.1 | -66.5 | 176.1 | 174.2 | -171.6 | -10.4 | 109.5 | F2003 F2053 E2123 | F2003-R2051 HydrophobicContact CB-CB 4.34Å; F2003-R2051 PolarHBondContact N-O 2.92Å; F2003-R2051 PolarHBondContact O-N 3.14Å; R2051-F2053 HydrophobicContact CB-CD2 4.45Å; R2051-F2053 HydrophobicContact CB-CE2 3.66Å; R2051-F2053 HydrophobicContact CB-CZ 4.21Å; R2051-E2123 HydrophobicContact CG-CB 4.33Å; R2051-E2123 HydrophobicContact CG-CG 3.9Å; R2051-E2123 IonicContact CZ-OE1 3.03Å; R2051-E2123 IonicContact CZ-OE2 2.66Å; R2051-E2123 VanDerWaalsContact NE-CD 3.27Å; R2051-E2123 IonicContact NE-OE1 3.54Å; R2051-E2123 PolarHBondContact NE-OE1 2.99Å; R2051-E2123 IonicContact NE-OE2 2.74Å; R2051-E2123 IonicContact NH2-OE1 3.15Å; R2051-E2123 PolarHBondContact NH2-OE1 2.72Å; R2051-E2123 IonicContact NH2-OE2 3.6Å |
| 2052 | I | 76.4 | Confident | 62 | Low | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 122.2 | 179.4 | -50.3 | -176.5 | 0 | 0 | 0 | 108.1 | L2000 V2002 I2050 G2120 L2121 M2122 M2124 W2168 L2187 I2191 | L2000-I2052 HydrophobicContact CD2-CG2 4Å; V2002-I2052 HydrophobicContact CG2-CG1 4.33Å; V2002-I2052 HydrophobicContact CG2-CG2 4.26Å; I2050-I2052 HydrophobicContact CG2-CG1 4.29Å; I2052-G2120 CarbonylContact O-C 3.34Å; I2052-L2121 WeakPolarHBondContact O-CB 3.5Å; I2052-L2121 PolarHBondContact O-N 2.82Å; I2052-M2122 HydrophobicContact CB-CB 4.21Å; I2052-M2122 HydrophobicContact CD1-CB 4.39Å; I2052-M2122 HydrophobicContact CG1-CB 4.43Å; I2052-M2122 PolarHBondContact N-O 3.32Å; I2052-M2122 PolarHBondContact O-N 3.29Å; I2052-M2124 HydrophobicContact CD1-CE 4.4Å; I2052-W2168 HydrophobicContact CD1-CH2 4.47Å; I2052-W2168 HydrophobicContact CD1-CZ2 4.39Å; I2052-L2187 HydrophobicContact CD1-CD1 4.07Å; I2052-I2191 HydrophobicContact CD1-CD1 3.98Å; I2052-I2191 HydrophobicContact CD1-CG1 4.34Å; I2052-I2191 HydrophobicContact CG2-CD1 4.04Å |
| 2053 | F | 62.5 | Low | 59 | Low | 57 Ų | 57 | 67.1 Ų | 67.1 | 25% | 0.25 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 160.8 | 172.5 | -56.8 | -93.7 | 0 | 0 | 0 | 108.9 | L2000 N2001 F2003 R2051 | L2000-F2053 WeakPolarHBondContact CA-O 3.25Å; N2001-F2053 PolarHBondContact N-O 3.35Å; N2001-F2053 PolarHBondContact O-N 3.07Å; F2003-F2053 AromaticContact CD2-CD2 3.53Å; F2003-F2053 HydrophobicContact CD2-CD2 3.53Å; F2003-F2053 AromaticContact CD2-CE2 3.66Å; F2003-F2053 HydrophobicContact CD2-CE2 3.66Å; F2003-F2053 AromaticContact CE2-CD2 3.57Å; F2003-F2053 HydrophobicContact CE2-CD2 3.57Å; F2003-F2053 AromaticContact CE2-CE2 3.91Å; F2003-F2053 HydrophobicContact CE2-CE2 3.91Å; F2003-F2053 HydrophobicContact CG-CE2 4.45Å; R2051-F2053 HydrophobicContact CB-CD2 4.45Å; R2051-F2053 HydrophobicContact CB-CE2 3.66Å; R2051-F2053 HydrophobicContact CB-CZ 4.21Å |
| 2054 | G | 54.5 | Low | 55.9 | Low | 19 Ų | 19 | 68.2 Ų | 68.2 | 20% | 0.196 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 127.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | H1999 | H1999-G2054 WeakPolarHBondContact O-CA 3.24Å |
| 2055 | D | 42.9 | Very low | 52.7 | Low | 14 Ų | 14 | 71.6 Ų | 71.6 | 8% | 0.075 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 141.5 | -170.8 | -56.3 | -58.1 | 0 | 0 | 0 | 111 | L430 I1997 T1998 H1999 N2001 | L430-D2055 VanDerWaalsContact CB-OD1 3.32Å; L430-D2055 WeakPolarHBondContact CB-OD1 3.46Å; I1997-D2055 WeakPolarHBondContact CA-O 3.39Å; T1998-D2055 PolarHBondContact N-O 3.19Å; T1998-D2055 PolarHBondContact OG1-O 3.12Å; H1999-D2055 PolarHBondContact O-N 3.41Å; N2001-D2055 PolarHBondContact ND2-OD2 2.9Å |
| 2056 | T | 36.8 | Very low | 49.5 | Very low | 87 Ų | 87 | 71.1 Ų | 71.1 | 53% | 0.534 | 43% | 0.434 | S | S | . | . | trans | -127.8 | 92.5 | 179.1 | 57.4 | 0 | 0 | 0 | 0 | 109.5 | I1997 G2058 | I1997-T2056 HydrophobicContact CG1-CG2 4.14Å; T2056-G2058 PolarHBondContact O-N 3.23Å | ||
| 2057 | C | 28.3 | Very low | 46.4 | Very low | 93 Ų | 93 | 78.1 Ų | 78.1 | 63% | 0.628 | 47% | 0.465 | S | S | * | . | trans | -78.8 | 111.6 | -173.3 | -46.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 2058 | G | 30.7 | Very low | 43.4 | Very low | 75 Ų | 75 | 81 Ų | 81 | 77% | 0.773 | 48% | 0.483 | S | S | * | . | trans | 168 | 117.9 | 169 | 0 | 0 | 0 | 0 | 0 | 115.2 | T2056 | T2056-G2058 PolarHBondContact O-N 3.23Š| ||
| 2059 | G | 26.1 | Very low | 40.4 | Very low | 75 Ų | 75 | 89 Ų | 89 | 77% | 0.773 | 52% | 0.52 | S | S | * | . | trans | -82.2 | -176.3 | 162.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2060 | V | 24.3 | Very low | 37.5 | Very low | 150 Ų | 150 | 96.6 Ų | 96.6 | 91% | 0.909 | 55% | 0.553 | S | S | * | * | cis | -154.7 | 150.3 | 14.8 | 173.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 2061 | G | 24.3 | Very low | 34.7 | Very low | 60 Ų | 60 | 107.1 Ų | 107.1 | 62% | 0.619 | 59% | 0.593 | S | S | * | * | trans | 129.4 | 103.2 | 148.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 2062 | Y | 25.1 | Very low | 32.3 | Very low | 208 Ų | 208 | 110.9 Ų | 110.9 | 82% | 0.816 | 62% | 0.616 | S | S | * | * | trans | 42.6 | 113.5 | 143.3 | -64.4 | -78.2 | 0 | 0 | 0 | 123.4 | ||||
| 2063 | N | 23.6 | Very low | 29.8 | Very low | 91 Ų | 91 | 118.8 Ų | 118.8 | 49% | 0.487 | 65% | 0.653 | S | S | . | * | 41.1 | 113.5 | 118.6 | -52.4 | -0.1 | 0 | 0 | 0 | 120.5 | Y371 | Y371-N2063 WeakPolarHBondContact CE1-ND2 3.35Å; Y371-N2063 WeakPolarHBondContact OH-CB 3.39Å; Y371-N2063 PolarHBondContact OH-ND2 3.14Å; Y371-N2063 PolarHBondContact OH-OD1 2.99Å | |||
| 2064 | Q | 24.8 | Very low | 27.9 | Very low | 162 Ų | 162 | 120.9 Ų | 120.9 | 76% | 0.757 | 67% | 0.674 | S | S | * | * | -180 | 129.1 | 100.9 | -97.3 | -173.3 | -3 | 0 | 0 | 115.7 | Y371 | Y371-Q2064 HydrophobicContact CE2-CG 4.03Š| |||
| 2065 | S | 23.7 | Very low | 26.5 | Very low | 85 Ų | 85 | 130.7 Ų | 130.7 | 59% | 0.594 | 71% | 0.705 | S | S | * | * | trans | 52 | 96.3 | 130.1 | -50.3 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 2066 | A | 24.9 | Very low | 25.6 | Very low | 81 Ų | 81 | 136.5 Ų | 136.5 | 67% | 0.669 | 73% | 0.732 | S | S | * | * | 75.4 | 160.8 | 109.8 | 0 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 2067 | K | 23.8 | Very low | 25 | Very low | 147 Ų | 147 | 139.8 Ų | 139.8 | 64% | 0.639 | 74% | 0.739 | S | S | * | * | trans | 67.8 | 101.3 | 164.2 | -70.7 | 172.8 | 173 | 138.9 | 0 | 120 | N368 | N368-K2067 HydrophobicContact CB-CD 4.36Å; N368-K2067 HydrophobicContact CB-CG 4.38Å; N368-K2067 PolarHBondContact O-NZ 2.76Å; N368-K2067 VanDerWaalsContact OD1-CG 3.3Å; N368-K2067 WeakPolarHBondContact OD1-CG 3.49Å | ||
| 2068 | L | 25.3 | Very low | 24.7 | Very low | 161 Ų | 161 | 144.1 Ų | 144.1 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | trans | -135.9 | 78.3 | 133.4 | -125 | 177.6 | 0 | 0 | 0 | 112.6 | ||||
| 2069 | Q | 26.6 | Very low | 24.3 | Very low | 166 Ų | 166 | 150 Ų | 150 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | trans | 45.8 | 119.9 | 147.8 | -63.1 | 179.2 | -6.8 | 0 | 0 | 121.3 | ||||
| 2070 | Q | 22.9 | Very low | 24.5 | Very low | 178 Ų | 178 | 151.7 Ų | 151.7 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | trans | -59.8 | 137.2 | 141.7 | -62.2 | 170.9 | -12.8 | 0 | 0 | 110.1 | ||||
| 2071 | R | 25 | Very low | 24.4 | Very low | 221 Ų | 221 | 150 Ų | 150 | 83% | 0.834 | 74% | 0.742 | S | S | * | * | trans | -162 | 101.2 | 141.3 | -141.5 | 177.2 | -174.8 | -174.5 | 1.5 | 115 | ||||
| 2072 | Q | 25.7 | Very low | 24.3 | Very low | 198 Ų | 198 | 152.9 Ų | 152.9 | 93% | 0.925 | 75% | 0.748 | S | S | * | * | trans | -155.7 | 146.6 | 130.6 | -109.5 | 175.4 | 24 | 0 | 0 | 109 | ||||
| 2073 | Q | 23.7 | Very low | 24.1 | Very low | 167 Ų | 167 | 152.4 Ų | 152.4 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | trans | -136.5 | 164.2 | -173 | -78.9 | -177.6 | -46.8 | 0 | 0 | 110.9 | ||||
| 2074 | S | 23.4 | Very low | 23.9 | Very low | 100 Ų | 100 | 152.7 Ų | 152.7 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | trans | 61.7 | 109.7 | 147.3 | 60.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 2075 | R | 23.9 | Very low | 23.9 | Very low | 226 Ų | 226 | 153.7 Ų | 153.7 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | -155.9 | 126.5 | 86.2 | -94.8 | 170.7 | 170.9 | 170 | -2.4 | 108.9 | |||||
| 2076 | E | 23.9 | Very low | 23.7 | Very low | 135 Ų | 135 | 157.5 Ų | 157.5 | 63% | 0.631 | 78% | 0.777 | S | S | * | * | 68.1 | 134.1 | 79.4 | -67.6 | -162.3 | 153.2 | 0 | 0 | 113.2 | |||||
| 2077 | K | 24.4 | Very low | 23.5 | Very low | 156 Ų | 156 | 158.4 Ų | 158.4 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | cis | -163.8 | 173.7 | 12.2 | -126.7 | 162.8 | -170 | 147.8 | 0 | 113.3 | ||||
| 2078 | Q | 23.5 | Very low | 23.6 | Very low | 185 Ų | 185 | 157.8 Ų | 157.8 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | trans | 86.8 | 106.7 | 157.6 | -75.4 | 170.8 | -13.8 | 0 | 0 | 122.2 | ||||
| 2079 | F | 21.6 | Very low | 23.4 | Very low | 198 Ų | 198 | 156.9 Ų | 156.9 | 87% | 0.868 | 78% | 0.778 | S | S | * | * | trans | -75.7 | -179.1 | 149.4 | -85.2 | -87.9 | 0 | 0 | 0 | 110.7 | ||||
| 2080 | P | 31.1 | Very low | 23.1 | Very low | 110 Ų | 110 | 156.5 Ų | 156.5 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | cis | -148.4 | -177.1 | 23.6 | 35.5 | -10.3 | 0 | 0 | 0 | 120.5 | ||||
| 2081 | T | 20.8 | Very low | 23.1 | Very low | 116 Ų | 116 | 151.8 Ų | 151.8 | 71% | 0.712 | 77% | 0.767 | S | S | * | * | trans | 105.9 | 128.1 | 138.2 | 3 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 2082 | T | 22.4 | Very low | 23.2 | Very low | 119 Ų | 119 | 148.9 Ų | 148.9 | 73% | 0.73 | 77% | 0.768 | S | S | * | * | trans | 78.3 | 103.7 | 149.4 | 22.3 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 2083 | F | 20.9 | Very low | 23 | Very low | 198 Ų | 198 | 145.2 Ų | 145.2 | 87% | 0.868 | 75% | 0.754 | S | S | * | * | 37.6 | 118.9 | 125.1 | -87.2 | -87.2 | 0 | 0 | 0 | 121.6 | |||||
| 2084 | S | 20.6 | Very low | 23 | Very low | 97 Ų | 97 | 144.8 Ų | 144.8 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | 139.7 | 146.4 | 99 | 64.1 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 2085 | Q | 23.1 | Very low | 22.9 | Very low | 184 Ų | 184 | 145.1 Ų | 145.1 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | trans | 67.8 | 149.4 | 153.3 | -74.1 | 179.6 | -6.3 | 0 | 0 | 121.9 | ||||
| 2086 | L | 20.8 | Very low | 22.9 | Very low | 164 Ų | 164 | 139.7 Ų | 139.7 | 86% | 0.859 | 74% | 0.742 | S | S | * | * | trans | -82.4 | 152.5 | 180 | -61.8 | 72.3 | 0 | 0 | 0 | 110.6 | ||||
| 2087 | S | 20.2 | Very low | 22.8 | Very low | 100 Ų | 100 | 143 Ų | 143 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | 173.8 | 164.3 | 107.3 | 51.4 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 2088 | N | 25 | Very low | 22.9 | Very low | 134 Ų | 134 | 139.5 Ų | 139.5 | 72% | 0.717 | 74% | 0.737 | S | S | * | * | trans | 64.7 | 102.7 | 153.5 | -60.8 | -21.4 | 0 | 0 | 0 | 120.4 | ||||
| 2089 | N | 22.3 | Very low | 22.9 | Very low | 142 Ų | 142 | 133.3 Ų | 133.3 | 76% | 0.759 | 71% | 0.71 | S | S | * | * | 51.5 | 108.2 | 117.7 | -63.3 | -20.8 | 0 | 0 | 0 | 120.6 | |||||
| 2090 | L | 20.9 | Very low | 23 | Very low | 158 Ų | 158 | 127.5 Ų | 127.5 | 83% | 0.827 | 69% | 0.694 | S | S | * | * | 68.4 | 139 | 110.2 | -144.5 | 75.8 | 0 | 0 | 0 | 120.6 | |||||
| 2091 | S | 21.8 | Very low | 22.6 | Very low | 80 Ų | 80 | 128.2 Ų | 128.2 | 56% | 0.559 | 70% | 0.696 | S | S | * | * | trans | 64 | 110.2 | 158.5 | 53 | 0 | 0 | 0 | 0 | 120 | ||||
| 2092 | N | 26.7 | Very low | 22.5 | Very low | 159 Ų | 159 | 131.2 Ų | 131.2 | 85% | 0.85 | 70% | 0.702 | S | S | * | * | -125.6 | 129.7 | 105.5 | -76.8 | -55.4 | 0 | 0 | 0 | 106.6 | |||||
| 2093 | L | 23.1 | Very low | 22.4 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 63% | 0.634 | 70% | 0.704 | S | S | * | * | cis | 83.8 | 77.6 | 44.7 | -68.9 | 164.8 | 0 | 0 | 0 | 115 | ||||
| 2094 | Q | 22.5 | Very low | 22.6 | Very low | 159 Ų | 159 | 127.9 Ų | 127.9 | 74% | 0.743 | 70% | 0.702 | S | S | * | * | 71.6 | 163.1 | 108.7 | -164.7 | 167.2 | -20.2 | 0 | 0 | 120.6 | |||||
| 2095 | C | 21.7 | Very low | 22.5 | Very low | 107 Ų | 107 | 131.6 Ų | 131.6 | 72% | 0.723 | 71% | 0.709 | S | S | * | * | trans | 70 | 142.9 | 165.3 | 20.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 2096 | D | 22.8 | Very low | 22.4 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 60% | 0.599 | 70% | 0.702 | S | S | * | * | cis | -169.7 | 160.4 | -15.4 | -122.9 | 24.1 | 0 | 0 | 0 | 112.9 | ||||
| 2097 | R | 23.4 | Very low | 22.6 | Very low | 204 Ų | 204 | 129.1 Ų | 129.1 | 77% | 0.77 | 70% | 0.701 | S | S | * | * | trans | 77.8 | 140.4 | 144.6 | -73.8 | 165.3 | -155.9 | -127.4 | -5.5 | 124.4 | ||||
| 2098 | N | 25.8 | Very low | 22.6 | Very low | 83 Ų | 83 | 132 Ų | 132 | 44% | 0.444 | 71% | 0.708 | S | S | . | * | trans | 142.8 | 155.8 | 156.5 | -37.9 | 12.3 | 0 | 0 | 0 | 112 | Q1391 T1392 | Q1391-N2098 WeakPolarHBondContact CB-ND2 3.42Å; T1392-N2098 CarbonylContact O-C 3.59Å; T1392-N2098 PolarHBondContact O-N 3.11Å; T1392-N2098 PolarHBondContact O-OD1 3.27Å | ||
| 2099 | D | 23.6 | Very low | 22.4 | Very low | 55 Ų | 55 | 131 Ų | 131 | 29% | 0.294 | 71% | 0.71 | S | S | . | * | trans | -161.1 | 153 | -161.4 | -175.3 | 30.9 | 0 | 0 | 0 | 119.5 | Q1391 T1392 | Q1391-D2099 HydrophobicContact CB-CB 3.68Å; Q1391-D2099 HydrophobicContact CG-CB 3.62Å; Q1391-D2099 WeakPolarHBondContact CG-OD2 3.39Å; Q1391-D2099 PolarHBondContact NE2-O 2.73Å; T1392-D2099 VanDerWaalsContact CG2-OD2 3.28Å; T1392-D2099 WeakPolarHBondContact CG2-OD2 3.5Å; T1392-D2099 PolarHBondContact N-OD2 3.04Å; T1392-D2099 PolarHBondContact OG1-OD1 2.92Å; T1392-D2099 PolarHBondContact OG1-OD2 3.49Å | ||
| 2100 | S | 22.9 | Very low | 22.5 | Very low | 76 Ų | 76 | 130.1 Ų | 130.1 | 53% | 0.531 | 71% | 0.71 | S | S | . | * | trans | 69.1 | 143.4 | 154.3 | 75.3 | 0 | 0 | 0 | 0 | 119.1 | Q1391 | Q1391-S2100 PolarHBondContact NE2-OG 3.39Š| ||
| 2101 | T | 23.4 | Very low | 22.6 | Very low | 125 Ų | 125 | 128 Ų | 128 | 77% | 0.767 | 71% | 0.708 | S | S | * | * | cis | -144.9 | 166.1 | 5.1 | 49.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 2102 | E | 19.1 | Very low | 22.6 | Very low | 179 Ų | 179 | 129.9 Ų | 129.9 | 84% | 0.836 | 72% | 0.716 | S | S | * | * | trans | 82 | 112.7 | 156 | -70.8 | -162.6 | 164.6 | 0 | 0 | 123.7 | ||||
| 2103 | S | 18.7 | Very low | 22.4 | Very low | 109 Ų | 109 | 127.8 Ų | 127.8 | 76% | 0.762 | 71% | 0.712 | S | S | * | * | trans | 93.7 | 157 | 136.9 | 82.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 2104 | V | 25.5 | Very low | 22.5 | Very low | 137 Ų | 137 | 127.7 Ų | 127.7 | 83% | 0.83 | 72% | 0.715 | S | S | * | * | trans | 84 | 149.6 | 171.7 | -170.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 2105 | Q | 20 | Very low | 22.6 | Very low | 175 Ų | 175 | 128.4 Ų | 128.4 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | trans | -106.4 | 161.5 | -157.4 | -54.6 | 151.2 | -56.9 | 0 | 0 | 114.6 | ||||
| 2106 | S | 20.3 | Very low | 22.7 | Very low | 103 Ų | 103 | 130.7 Ų | 130.7 | 72% | 0.72 | 72% | 0.724 | S | S | * | * | trans | 90.1 | 153.6 | 143 | 82.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 2107 | K | 24.6 | Very low | 22.9 | Very low | 194 Ų | 194 | 131.2 Ų | 131.2 | 84% | 0.843 | 73% | 0.731 | S | S | * | * | trans | 77.6 | 132.5 | 177.3 | -55.5 | 175.9 | -174.4 | 173.8 | 0 | 115.6 | ||||
| 2108 | L | 20.7 | Very low | 23.1 | Very low | 160 Ų | 160 | 127.3 Ų | 127.3 | 84% | 0.838 | 74% | 0.735 | S | S | * | * | cis | 96.1 | 119 | 10.5 | -160.3 | 81.1 | 0 | 0 | 0 | 116.8 | ||||
| 2109 | C | 21 | Very low | 23.5 | Very low | 112 Ų | 112 | 131.5 Ų | 131.5 | 76% | 0.757 | 75% | 0.754 | S | S | * | * | trans | 67.8 | 115.4 | 161.2 | -75.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 2110 | T | 24.5 | Very low | 24.4 | Very low | 124 Ų | 124 | 129.8 Ų | 129.8 | 76% | 0.761 | 75% | 0.749 | S | S | * | * | trans | -131.1 | 165.1 | 133 | 38.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 2111 | S | 23.4 | Very low | 26.1 | Very low | 114 Ų | 114 | 128.4 Ų | 128.4 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | trans | -129.9 | 139.3 | -156.6 | 56.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 2112 | V | 21.6 | Very low | 28.2 | Very low | 119 Ų | 119 | 122.7 Ų | 122.7 | 72% | 0.721 | 70% | 0.7 | S | S | * | * | trans | -79.9 | 130.1 | 166.5 | -176.7 | 0 | 0 | 0 | 0 | 110.3 | V2114 | V2112-V2114 VanDerWaalsContact C-N 3.34Å; V2112-V2114 HydrophobicContact CB-CG2 4.2Å; V2112-V2114 HydrophobicContact CG1-CG2 3.75Å; V2112-V2114 PolarHBondContact O-N 3.02Å | ||
| 2113 | P | 21.8 | Very low | 30.9 | Very low | 116 Ų | 116 | 119 Ų | 119 | 75% | 0.753 | 68% | 0.683 | S | S | * | * | trans | -79.4 | 80.3 | 167.8 | 32.9 | -33.2 | 0 | 0 | 0 | 110.4 | Q2115 | P2113-Q2115 PolarHBondContact O-N 2.86Š| ||
| 2114 | V | 25.5 | Very low | 33.9 | Very low | 118 Ų | 118 | 114.8 Ų | 114.8 | 72% | 0.715 | 65% | 0.652 | S | S | * | * | trans | -72.1 | 112 | 174.1 | -179.2 | 0 | 0 | 0 | 0 | 109.3 | V2112 N2116 | V2112-V2114 VanDerWaalsContact C-N 3.34Å; V2112-V2114 HydrophobicContact CB-CG2 4.2Å; V2112-V2114 HydrophobicContact CG1-CG2 3.75Å; V2112-V2114 PolarHBondContact O-N 3.02Å; V2114-N2116 PolarHBondContact O-N 2.87Å | ||
| 2115 | Q | 24.3 | Very low | 36.6 | Very low | 175 Ų | 175 | 111.2 Ų | 111.2 | 82% | 0.818 | 63% | 0.63 | S | S | * | * | trans | -85.6 | 108 | 175.3 | -72.7 | -170.8 | -15.7 | 0 | 0 | 111.7 | P2113 | P2113-Q2115 PolarHBondContact O-N 2.86Š| ||
| 2116 | N | 23.7 | Very low | 39.9 | Very low | 154 Ų | 154 | 105 Ų | 105 | 82% | 0.824 | 60% | 0.6 | S | S | * | * | trans | 51.9 | 88.2 | 149.5 | -60.1 | -8.7 | 0 | 0 | 0 | 118.8 | V2114 | V2114-N2116 PolarHBondContact O-N 2.87Š| ||
| 2117 | T | 26.3 | Very low | 43.1 | Very low | 124 Ų | 124 | 101.6 Ų | 101.6 | 76% | 0.761 | 58% | 0.577 | S | S | * | * | trans | -112.1 | 154.1 | 143.9 | 48.2 | 0 | 0 | 0 | 0 | 110.2 | M2119 | T2117-M2119 PolarHBondContact O-N 3.38Š| ||
| 2118 | S | 29 | Very low | 46.2 | Very low | 121 Ų | 121 | 92.4 Ų | 92.4 | 85% | 0.846 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -52.5 | 122.3 | -170.7 | 51.9 | 0 | 0 | 0 | 0 | 114.2 | G2120 | S2118-G2120 PolarHBondContact O-N 3.13Š|
| 2119 | M | 34.2 | Very low | 49.4 | Very low | 172 Ų | 172 | 85.1 Ų | 85.1 | 85% | 0.847 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -72.6 | 122.6 | -179.6 | -79.4 | -156.3 | 71.6 | 0 | 0 | 113.3 | T2117 | T2117-M2119 PolarHBondContact O-N 3.38Š|
| 2120 | G | 42.5 | Very low | 52.6 | Low | 18 Ų | 18 | 79.9 Ų | 79.9 | 19% | 0.186 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 172.2 | 147 | 0 | 0 | 0 | 0 | 0 | 111.1 | I2052 S2118 M2122 | I2052-G2120 CarbonylContact O-C 3.34Å; S2118-G2120 PolarHBondContact O-N 3.13Å; G2120-M2122 PolarHBondContact O-N 3.2Å; G2120-M2122 VanDerWaalsContact O-N 3.15Å |
| 2121 | L | 57.1 | Low | 55.3 | Low | 48 Ų | 48 | 76.5 Ų | 76.5 | 25% | 0.251 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -57.8 | -30.5 | 179.6 | -73.1 | 170.6 | 0 | 0 | 0 | 113 | I1997 L2000 I2052 Q2195 | I1997-L2121 HydrophobicContact CD1-CD1 3.99Å; I1997-L2121 HydrophobicContact CD1-CD2 4.08Å; L2000-L2121 HydrophobicContact CD2-CD1 3.69Å; I2052-L2121 WeakPolarHBondContact O-CB 3.5Å; I2052-L2121 PolarHBondContact O-N 2.82Å; L2121-Q2195 PolarHBondContact O-NE2 2.85Å |
| 2122 | M | 69 | Low | 58.1 | Low | 5 Ų | 5 | 75.2 Ų | 75.2 | 3% | 0.025 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 137.7 | -179.8 | -164.7 | 157 | 170.5 | 0 | 0 | 111 | I2052 G2120 M2124 W2190 I2191 Y2194 | I2052-M2122 HydrophobicContact CB-CB 4.21Å; I2052-M2122 HydrophobicContact CD1-CB 4.39Å; I2052-M2122 HydrophobicContact CG1-CB 4.43Å; I2052-M2122 PolarHBondContact N-O 3.32Å; I2052-M2122 PolarHBondContact O-N 3.29Å; G2120-M2122 PolarHBondContact O-N 3.2Å; G2120-M2122 VanDerWaalsContact O-N 3.15Å; M2122-M2124 HydrophobicContact CE-CE 3.99Å; M2122-M2124 HydrophobicContact CE-CG 3.97Å; M2122-M2124 HydrophobicContact CE-SD 3.63Å; M2122-M2124 HydrophobicContact CG-CG 4.46Å; M2122-W2190 HydrophobicContact CE-CE3 4.4Å; M2122-W2190 HydrophobicContact CE-CH2 3.29Å; M2122-W2190 HydrophobicContact CE-CZ2 4.29Å; M2122-W2190 HydrophobicContact CE-CZ3 3.35Å; M2122-W2190 HydrophobicContact SD-CH2 4.38Å; M2122-W2190 HydrophobicContact SD-CZ3 3.84Å; M2122-I2191 HydrophobicContact SD-CG1 4.49Å; M2122-Y2194 HydrophobicContact CE-CD1 3.39Å; M2122-Y2194 HydrophobicContact CE-CD2 3.61Å; M2122-Y2194 HydrophobicContact CE-CE1 3.4Å; M2122-Y2194 VanDerWaalsContact CE-CE1 3.4Å; M2122-Y2194 HydrophobicContact CE-CE2 3.62Å; M2122-Y2194 HydrophobicContact CE-CG 3.49Å; M2122-Y2194 VanDerWaalsContact CE-CG 3.49Å; M2122-Y2194 HydrophobicContact CG-CD1 4.36Å; M2122-Y2194 HydrophobicContact CG-CE1 4.12Å; M2122-Y2194 HydrophobicContact SD-CD1 3.47Å; M2122-Y2194 WeakPolarHBondContact SD-CD1 3.47Å; M2122-Y2194 HydrophobicContact SD-CE1 3.77Å; M2122-Y2194 HydrophobicContact SD-CG 3.95Å |
| 2123 | E | 75.2 | Confident | 61.2 | Low | 101 Ų | 101 | 69.6 Ų | 69.6 | 47% | 0.472 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 141.5 | 166.5 | -180 | 162.6 | -163.1 | 0 | 0 | 109.3 | I2050 R2051 | I2050-E2123 CarbonylContact O-C 3.6Å; I2050-E2123 WeakPolarHBondContact O-CA 3.43Å; R2051-E2123 HydrophobicContact CG-CB 4.33Å; R2051-E2123 HydrophobicContact CG-CG 3.9Å; R2051-E2123 IonicContact CZ-OE1 3.03Å; R2051-E2123 IonicContact CZ-OE2 2.66Å; R2051-E2123 VanDerWaalsContact NE-CD 3.27Å; R2051-E2123 IonicContact NE-OE1 3.54Å; R2051-E2123 PolarHBondContact NE-OE1 2.99Å; R2051-E2123 IonicContact NE-OE2 2.74Å; R2051-E2123 IonicContact NH2-OE1 3.15Å; R2051-E2123 PolarHBondContact NH2-OE1 2.72Å; R2051-E2123 IonicContact NH2-OE2 3.6Å |
| 2124 | M | 81.1 | Confident | 64.3 | Low | 21 Ų | 21 | 64.3 Ų | 64.3 | 10% | 0.103 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 156.2 | 179.6 | -68.7 | 177.8 | -79.5 | 0 | 0 | 110 | S2049 I2050 I2052 M2122 F2126 T2164 W2168 W2190 | S2049-M2124 CarbonylContact C-O 3.55Å; S2049-M2124 VanDerWaalsContact CA-O 3.29Å; S2049-M2124 WeakPolarHBondContact CA-O 3.33Å; I2050-M2124 HydrophobicContact CB-CE 4.27Å; I2050-M2124 HydrophobicContact CG2-CE 4.27Å; I2050-M2124 PolarHBondContact N-O 3Å; I2050-M2124 PolarHBondContact O-N 2.63Å; I2052-M2124 HydrophobicContact CD1-CE 4.4Å; M2122-M2124 HydrophobicContact CE-CE 3.99Å; M2122-M2124 HydrophobicContact CE-CG 3.97Å; M2122-M2124 HydrophobicContact CE-SD 3.63Å; M2122-M2124 HydrophobicContact CG-CG 4.46Å; M2124-F2126 HydrophobicContact CB-CD2 4.49Å; M2124-F2126 HydrophobicContact CB-CE2 3.71Å; M2124-F2126 HydrophobicContact CB-CZ 4.06Å; M2124-F2126 HydrophobicContact CG-CE2 4.27Å; M2124-F2126 HydrophobicContact CG-CZ 4.26Å; M2124-F2126 HydrophobicContact SD-CE2 3.69Å; M2124-F2126 HydrophobicContact SD-CZ 3.62Å; M2124-T2164 HydrophobicContact SD-CG2 4.26Å; M2124-W2168 HydrophobicContact CE-CZ2 3.81Å; M2124-W2190 HydrophobicContact CE-CH2 3.99Å; M2124-W2190 HydrophobicContact CE-CZ3 4.05Å; M2124-W2190 HydrophobicContact SD-CH2 3.63Å; M2124-W2190 HydrophobicContact SD-CZ3 4.27Å |
| 2125 | T | 83.5 | Confident | 67 | Low | 62 Ų | 62 | 65 Ų | 65 | 38% | 0.38 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 133.6 | 167.1 | -60.8 | 0 | 0 | 0 | 0 | 109.6 | Q2047 L2048 S2049 | Q2047-T2125 HydrophobicContact CB-CG2 3.72Å; Q2047-T2125 HydrophobicContact CG-CG2 3.91Å; L2048-T2125 WeakPolarHBondContact O-CA 3.17Å; S2049-T2125 WeakPolarHBondContact CB-OG1 3.37Å; S2049-T2125 WeakPolarHBondContact OG-CG2 3.33Å; S2049-T2125 PolarHBondContact OG-OG1 2.86Å |
| 2126 | F | 88.8 | Confident | 69.8 | Low | 43 Ų | 43 | 59.7 Ų | 59.7 | 19% | 0.189 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 170.4 | 178.1 | -57 | -75.9 | 0 | 0 | 0 | 109.7 | Q2047 L2048 I2050 M2124 T2164 Q2165 W2168 | Q2047-F2126 CarbonylContact C-O 3.57Å; Q2047-F2126 VanDerWaalsContact CA-O 3.29Å; Q2047-F2126 WeakPolarHBondContact CA-O 3.28Å; L2048-F2126 PolarHBondContact N-O 3.37Å; L2048-F2126 PolarHBondContact O-N 3.19Å; I2050-F2126 HydrophobicContact CD1-CD2 3.68Å; I2050-F2126 HydrophobicContact CD1-CE2 3.92Å; M2124-F2126 HydrophobicContact CB-CD2 4.49Å; M2124-F2126 HydrophobicContact CB-CE2 3.71Å; M2124-F2126 HydrophobicContact CB-CZ 4.06Å; M2124-F2126 HydrophobicContact CG-CE2 4.27Å; M2124-F2126 HydrophobicContact CG-CZ 4.26Å; M2124-F2126 HydrophobicContact SD-CE2 3.69Å; M2124-F2126 HydrophobicContact SD-CZ 3.62Å; F2126-T2164 HydrophobicContact CE1-CG2 4.22Å; F2126-T2164 HydrophobicContact CE2-CG2 4.09Å; F2126-T2164 HydrophobicContact CZ-CG2 3.49Å; F2126-T2164 VanDerWaalsContact CZ-CG2 3.49Å; F2126-Q2165 HydrophobicContact CB-CB 4.01Å; F2126-Q2165 HydrophobicContact CB-CG 3.79Å; F2126-Q2165 HydrophobicContact CD1-CB 3.67Å; F2126-Q2165 HydrophobicContact CD1-CG 4.38Å; F2126-Q2165 HydrophobicContact CE1-CB 4.4Å; F2126-Q2165 HydrophobicContact CG-CB 3.94Å; F2126-Q2165 HydrophobicContact CG-CG 4.3Å; F2126-W2168 AromaticContact CE2-CD1 3.41Å; F2126-W2168 VanDerWaalsContact CE2-CD1 3.41Å; F2126-W2168 HydrophobicContact CE2-CG 4.31Å |
| 2127 | S | 86.9 | Confident | 72.6 | Confident | 33 Ų | 33 | 54.1 Ų | 54.1 | 23% | 0.231 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 137.2 | 165.2 | -24.4 | 0 | 0 | 0 | 0 | 110.2 | P2046 Q2165 N2169 | P2046-S2127 CarbonylContact O-C 3.54Å; P2046-S2127 VanDerWaalsContact O-CA 3.28Å; P2046-S2127 WeakPolarHBondContact O-CA 3.34Å; S2127-Q2165 PolarHBondContact O-NE2 3.12Å; S2127-Q2165 PolarHBondContact OG-NE2 2.96Å; S2127-Q2165 VanDerWaalsContact OG-NE2 3.13Å; S2127-N2169 PolarHBondContact O-ND2 2.88Å |
| 2128 | Y | 89.8 | Confident | 75.3 | Confident | 1 Ų | 1 | 50 Ų | 50 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | trans | -83.2 | 130.1 | 170.7 | -179.7 | -150.9 | 0 | 0 | 0 | 108.7 | T2006 D2019 I2022 W2026 P2046 L2048 N2169 W2172 | T2006-Y2128 HydrophobicContact CG2-CD1 3.87Å; T2006-Y2128 HydrophobicContact CG2-CD2 4.11Å; T2006-Y2128 HydrophobicContact CG2-CE1 3.6Å; T2006-Y2128 HydrophobicContact CG2-CE2 3.81Å; T2006-Y2128 HydrophobicContact CG2-CG 4.17Å; D2019-Y2128 HydrophobicContact CB-CE1 3.93Å; D2019-Y2128 WeakPolarHBondContact CB-OH 3.39Å; I2022-Y2128 HydrophobicContact CB-CD1 4.26Å; I2022-Y2128 HydrophobicContact CB-CE1 3.95Å; I2022-Y2128 HydrophobicContact CD1-CD1 3.94Å; I2022-Y2128 HydrophobicContact CD1-CE1 4.12Å; I2022-Y2128 HydrophobicContact CG2-CD1 3.52Å; I2022-Y2128 HydrophobicContact CG2-CE1 3.47Å; I2022-Y2128 VanDerWaalsContact CG2-CE1 3.47Å; W2026-Y2128 HydrophobicContact CH2-CD2 4.29Å; W2026-Y2128 HydrophobicContact CH2-CE1 4.17Å; W2026-Y2128 AromaticContact CH2-CE2 3.63Å; W2026-Y2128 HydrophobicContact CH2-CE2 3.63Å; W2026-Y2128 AromaticContact CH2-CZ 3.53Å; W2026-Y2128 HydrophobicContact CZ2-CD1 4.13Å; W2026-Y2128 HydrophobicContact CZ2-CD2 4.05Å; W2026-Y2128 AromaticContact CZ2-CE1 3.84Å; W2026-Y2128 HydrophobicContact CZ2-CE1 3.84Å; W2026-Y2128 AromaticContact CZ2-CE2 3.8Å; W2026-Y2128 HydrophobicContact CZ2-CE2 3.8Å; W2026-Y2128 HydrophobicContact CZ2-CG 4.18Å; W2026-Y2128 AromaticContact CZ2-CZ 3.65Å; P2046-Y2128 HydrophobicContact CB-CD1 4.28Å; P2046-Y2128 HydrophobicContact CG-CD1 4.49Å; P2046-Y2128 PolarHBondContact O-N 3.33Å; L2048-Y2128 HydrophobicContact CD1-CD2 4.35Å; Y2128-N2169 WeakPolarHBondContact CA-OD1 3.4Å; Y2128-W2172 HydrophobicContact CE2-CD2 4.08Å; Y2128-W2172 AromaticContact CE2-CE3 3.74Å; Y2128-W2172 HydrophobicContact CE2-CE3 3.74Å; Y2128-W2172 HydrophobicContact CE2-CH2 4.03Å; Y2128-W2172 HydrophobicContact CE2-CZ2 4.28Å; Y2128-W2172 AromaticContact CE2-CZ3 3.74Å; Y2128-W2172 HydrophobicContact CE2-CZ3 3.74Å; Y2128-W2172 AromaticContact CZ-CH2 3.8Å; Y2128-W2172 AromaticContact CZ-CZ2 3.96Å; Y2128-W2172 AromaticContact CZ-CZ3 3.99Å; Y2128-W2172 WeakPolarHBondContact OH-CH2 3.41Å; Y2128-W2172 WeakPolarHBondContact OH-CZ2 3.26Å; Y2128-W2172 WeakPolarHBondContact OH-CZ3 3.33Å | ||
| 2129 | L | 88.8 | Confident | 77.7 | Confident | 7 Ų | 7 | 48.2 Ų | 48.2 | 4% | 0.037 | 24% | 0.244 | C | C | . | . | trans | -118.6 | 141.4 | -162.5 | -60.3 | 179.2 | 0 | 0 | 0 | 112.1 | W2026 H2033 V2133 I2134 Q2165 N2169 | W2026-L2129 WeakPolarHBondContact CH2-O 3.49Å; W2026-L2129 VanDerWaalsContact CZ2-C 3.43Å; W2026-L2129 VanDerWaalsContact CZ2-O 3.31Å; W2026-L2129 WeakPolarHBondContact CZ2-O 3.35Å; H2033-L2129 WeakPolarHBondContact ND1-CD2 3.4Å; L2129-V2133 HydrophobicContact CB-CG1 4.29Å; L2129-V2133 HydrophobicContact CD1-CG1 4.4Å; L2129-V2133 HydrophobicContact CD2-CG1 3.99Å; L2129-V2133 HydrophobicContact CG-CG1 4.46Å; L2129-I2134 HydrophobicContact CB-CD1 4.19Å; L2129-I2134 HydrophobicContact CB-CG1 3.62Å; L2129-I2134 HydrophobicContact CD1-CG1 4.45Å; L2129-I2134 VanDerWaalsContact O-CD1 3.3Å; L2129-I2134 WeakPolarHBondContact O-CD1 3.48Å; L2129-Q2165 HydrophobicContact CD1-CG 4.18Å; L2129-N2169 PolarHBondContact N-OD1 3.49Å | ||
| 2130 | S | 86.6 | Confident | 79.9 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.007 | 22% | 0.22 | C | C | . | . | trans | -66.5 | 157.9 | 175.2 | 80.8 | 0 | 0 | 0 | 0 | 111.9 | W2026 F2132 V2133 I2134 | W2026-S2130 VanDerWaalsContact CD2-CB 3.46Å; S2130-F2132 PolarHBondContact O-N 3.14Å; S2130-V2133 PolarHBondContact O-N 3.01Å; S2130-V2133 VanDerWaalsContact O-N 3.12Å; S2130-V2133 WeakPolarHBondContact OG-CG2 3.23Å; S2130-V2133 PolarHBondContact OG-N 2.97Å; S2130-I2134 VanDerWaalsContact O-CG1 3.31Å; S2130-I2134 WeakPolarHBondContact O-CG1 3.37Å; S2130-I2134 PolarHBondContact O-N 2.83Å | ||
| 2131 | P | 81.9 | Confident | 81.6 | Confident | 53 Ų | 53 | 42.8 Ų | 42.8 | 34% | 0.344 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.3 | -28.4 | -178.1 | -17.8 | 33.4 | 0 | 0 | 0 | 111.5 | W2026 R2135 | W2026-P2131 HydrophobicContact CZ3-CG 4.13Å; P2131-R2135 WeakPolarHBondContact O-CB 3.24Å; P2131-R2135 PolarHBondContact O-N 3.36Å |
| 2132 | F | 82.6 | Confident | 82.4 | Confident | 87 Ų | 87 | 43.7 Ų | 43.7 | 38% | 0.382 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.8 | -49 | 172.2 | -63.3 | -73 | 0 | 0 | 0 | 111.6 | T2028 E2030 S2130 R2135 K2136 | T2028-F2132 HydrophobicContact CG2-CE2 4.46Å; E2030-F2132 HydrophobicContact CB-CB 4.46Å; E2030-F2132 HydrophobicContact CG-CB 4.2Å; S2130-F2132 PolarHBondContact O-N 3.14Å; F2132-R2135 PolarHBondContact O-N 2.99Å; F2132-K2136 WeakPolarHBondContact O-CB 3.47Å; F2132-K2136 PolarHBondContact O-N 2.83Å |
| 2133 | V | 86.2 | Confident | 82.6 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 176.5 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | E2030 D2032 H2033 L2129 S2130 S2137 | E2030-V2133 WeakPolarHBondContact O-CG2 3.31Å; D2032-V2133 WeakPolarHBondContact O-CG2 2.82Å; H2033-V2133 VanDerWaalsContact CE1-CG1 3.49Å; H2033-V2133 WeakPolarHBondContact CE1-CG1 3.35Å; L2129-V2133 HydrophobicContact CB-CG1 4.29Å; L2129-V2133 HydrophobicContact CD1-CG1 4.4Å; L2129-V2133 HydrophobicContact CD2-CG1 3.99Å; L2129-V2133 HydrophobicContact CG-CG1 4.46Å; S2130-V2133 PolarHBondContact O-N 3.01Å; S2130-V2133 VanDerWaalsContact O-N 3.12Å; S2130-V2133 WeakPolarHBondContact OG-CG2 3.23Å; S2130-V2133 PolarHBondContact OG-N 2.97Å; V2133-S2137 WeakPolarHBondContact O-CB 3.47Å; V2133-S2137 PolarHBondContact O-N 2.9Å; V2133-S2137 PolarHBondContact O-OG 2.82Å |
| 2134 | I | 87 | Confident | 82.6 | Confident | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.3 | -48.1 | 173.6 | -66.9 | 167.9 | 0 | 0 | 0 | 110 | L2129 S2130 S2137 L2138 L2166 N2169 L2170 L2173 | L2129-I2134 HydrophobicContact CB-CD1 4.19Å; L2129-I2134 HydrophobicContact CB-CG1 3.62Å; L2129-I2134 HydrophobicContact CD1-CG1 4.45Å; L2129-I2134 VanDerWaalsContact O-CD1 3.3Å; L2129-I2134 WeakPolarHBondContact O-CD1 3.48Å; S2130-I2134 VanDerWaalsContact O-CG1 3.31Å; S2130-I2134 WeakPolarHBondContact O-CG1 3.37Å; S2130-I2134 PolarHBondContact O-N 2.83Å; I2134-S2137 PolarHBondContact O-N 3.45Å; I2134-L2138 WeakPolarHBondContact O-CB 3.49Å; I2134-L2138 PolarHBondContact O-N 3.31Å; I2134-L2166 HydrophobicContact CB-CD1 4.5Å; I2134-L2166 HydrophobicContact CG2-CD1 4.08Å; I2134-N2169 HydrophobicContact CD1-CB 3.89Å; I2134-N2169 HydrophobicContact CG1-CB 4.19Å; I2134-L2170 HydrophobicContact CG2-CD2 3.66Å; I2134-L2170 HydrophobicContact CG2-CG 3.99Å; I2134-L2173 HydrophobicContact CD1-CD2 4.34Å |
| 2135 | R | 82.4 | Confident | 82.1 | Confident | 131 Ų | 131 | 54.5 Ų | 54.5 | 49% | 0.494 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.2 | -53.6 | 178.3 | 176.5 | -179 | 174.6 | -133.3 | -23.7 | 111 | P2131 F2132 S2137 L2138 E2139 | P2131-R2135 WeakPolarHBondContact O-CB 3.24Å; P2131-R2135 PolarHBondContact O-N 3.36Å; F2132-R2135 PolarHBondContact O-N 2.99Å; R2135-S2137 PolarHBondContact O-N 2.78Å; R2135-L2138 PolarHBondContact O-N 2.89Å; R2135-E2139 HydrophobicContact CG-CG 4.34Å; R2135-E2139 IonicContact CZ-OE1 2.94Å; R2135-E2139 VanDerWaalsContact CZ-OE1 3.24Å; R2135-E2139 IonicContact CZ-OE2 2.77Å; R2135-E2139 IonicContact NE-OE1 3.91Å; R2135-E2139 PolarHBondContact NE-OE1 3.05Å; R2135-E2139 IonicContact NE-OE2 2.67Å; R2135-E2139 IonicContact NH2-OE1 3.21Å; R2135-E2139 PolarHBondContact NH2-OE1 3.36Å; R2135-E2139 IonicContact NH2-OE2 3.21Å; R2135-E2139 PolarHBondContact NH2-OE2 3.35Å; R2135-E2139 WeakPolarHBondContact O-CB 3.45Å; R2135-E2139 WeakPolarHBondContact O-CG 3.41Å; R2135-E2139 PolarHBondContact O-N 3.49Å |
| 2136 | K | 84.1 | Confident | 81.2 | Confident | 65 Ų | 65 | 52.6 Ų | 52.6 | 28% | 0.283 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.9 | -42 | 180 | -178.2 | 171.4 | -169.6 | 166.3 | 0 | 112.4 | E2030 N2031 F2132 E2139 T2140 | E2030-K2136 HydrophobicContact CB-CB 4.07Å; E2030-K2136 HydrophobicContact CB-CD 3.53Å; E2030-K2136 HydrophobicContact CB-CG 4.45Å; E2030-K2136 IonicContact OE2-NZ 3.7Å; N2031-K2136 PolarHBondContact OD1-NZ 3.22Å; F2132-K2136 WeakPolarHBondContact O-CB 3.47Å; F2132-K2136 PolarHBondContact O-N 2.83Å; K2136-E2139 PolarHBondContact O-N 3.14Å; K2136-T2140 VanDerWaalsContact O-CB 3.25Å; K2136-T2140 WeakPolarHBondContact O-CB 3.32Å; K2136-T2140 PolarHBondContact O-N 3.02Å; K2136-T2140 PolarHBondContact O-OG1 3.37Å |
| 2137 | S | 82.1 | Confident | 79.9 | Confident | 36 Ų | 36 | 53.8 Ų | 53.8 | 25% | 0.252 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61 | -45.2 | 175.5 | -59.6 | 0 | 0 | 0 | 0 | 111.1 | V2133 I2134 R2135 T2140 I2141 | V2133-S2137 WeakPolarHBondContact O-CB 3.47Å; V2133-S2137 PolarHBondContact O-N 2.9Å; V2133-S2137 PolarHBondContact O-OG 2.82Å; I2134-S2137 PolarHBondContact O-N 3.45Å; R2135-S2137 PolarHBondContact O-N 2.78Å; S2137-T2140 PolarHBondContact O-N 3.13Å; S2137-I2141 WeakPolarHBondContact O-CB 3.49Å; S2137-I2141 WeakPolarHBondContact O-CD1 3.43Å; S2137-I2141 VanDerWaalsContact O-CG1 3.29Å; S2137-I2141 WeakPolarHBondContact O-CG1 3.32Å; S2137-I2141 PolarHBondContact O-N 3.44Å |
| 2138 | L | 81.8 | Confident | 78.6 | Confident | 38 Ų | 38 | 56.4 Ų | 56.4 | 20% | 0.199 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.5 | -44.6 | 177.8 | -178.3 | 63.6 | 0 | 0 | 0 | 112.2 | I2134 R2135 T2140 I2141 I2142 L2150 L2166 L2170 | I2134-L2138 WeakPolarHBondContact O-CB 3.49Å; I2134-L2138 PolarHBondContact O-N 3.31Å; R2135-L2138 PolarHBondContact O-N 2.89Å; L2138-T2140 VanDerWaalsContact C-N 3.33Å; L2138-T2140 PolarHBondContact O-N 3.46Å; L2138-I2141 PolarHBondContact O-N 2.92Å; L2138-I2142 HydrophobicContact CD1-CD1 3.94Å; L2138-I2142 HydrophobicContact CD1-CG1 4.28Å; L2138-I2142 HydrophobicContact CG-CD1 3.84Å; L2138-I2142 WeakPolarHBondContact O-CB 3.42Å; L2138-I2142 VanDerWaalsContact O-CG1 3.24Å; L2138-I2142 WeakPolarHBondContact O-CG1 3.4Å; L2138-I2142 PolarHBondContact O-N 3.23Å; L2138-L2150 HydrophobicContact CD1-CD2 4.2Å; L2138-L2166 HydrophobicContact CB-CD2 4.3Å; L2138-L2166 HydrophobicContact CD1-CD2 4.17Å; L2138-L2170 HydrophobicContact CD1-CD1 4.41Å; L2138-L2170 HydrophobicContact CD2-CD2 4.48Å |
| 2139 | E | 81.2 | Confident | 77.2 | Confident | 84 Ų | 84 | 56.6 Ų | 56.6 | 39% | 0.393 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 175.2 | -73.9 | 179 | -179.4 | 0 | 0 | 111 | R2135 K2136 I2142 Q2143 | R2135-E2139 HydrophobicContact CG-CG 4.34Å; R2135-E2139 IonicContact CZ-OE1 2.94Å; R2135-E2139 VanDerWaalsContact CZ-OE1 3.24Å; R2135-E2139 IonicContact CZ-OE2 2.77Å; R2135-E2139 IonicContact NE-OE1 3.91Å; R2135-E2139 PolarHBondContact NE-OE1 3.05Å; R2135-E2139 IonicContact NE-OE2 2.67Å; R2135-E2139 IonicContact NH2-OE1 3.21Å; R2135-E2139 PolarHBondContact NH2-OE1 3.36Å; R2135-E2139 IonicContact NH2-OE2 3.21Å; R2135-E2139 PolarHBondContact NH2-OE2 3.35Å; R2135-E2139 WeakPolarHBondContact O-CB 3.45Å; R2135-E2139 WeakPolarHBondContact O-CG 3.41Å; R2135-E2139 PolarHBondContact O-N 3.49Å; K2136-E2139 PolarHBondContact O-N 3.14Å; E2139-I2142 PolarHBondContact O-N 2.9Å; E2139-Q2143 WeakPolarHBondContact O-CB 3.05Å; E2139-Q2143 WeakPolarHBondContact O-CG 3.47Å; E2139-Q2143 PolarHBondContact O-N 2.85Å |
| 2140 | T | 79.7 | Confident | 75.9 | Confident | 56 Ų | 56 | 58.4 Ų | 58.4 | 34% | 0.344 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.2 | -41.5 | 175.4 | -56.4 | 0 | 0 | 0 | 0 | 112.1 | K2136 S2137 L2138 Q2143 N2144 | K2136-T2140 VanDerWaalsContact O-CB 3.25Å; K2136-T2140 WeakPolarHBondContact O-CB 3.32Å; K2136-T2140 PolarHBondContact O-N 3.02Å; K2136-T2140 PolarHBondContact O-OG1 3.37Å; S2137-T2140 PolarHBondContact O-N 3.13Å; L2138-T2140 VanDerWaalsContact C-N 3.33Å; L2138-T2140 PolarHBondContact O-N 3.46Å; T2140-Q2143 PolarHBondContact O-N 3.48Å; T2140-N2144 WeakPolarHBondContact CG2-ND2 3.34Å; T2140-N2144 VanDerWaalsContact O-CB 3.31Å; T2140-N2144 WeakPolarHBondContact O-CB 3.31Å; T2140-N2144 VanDerWaalsContact O-CG 3.27Å; T2140-N2144 PolarHBondContact O-N 3Å; T2140-N2144 PolarHBondContact O-ND2 3.34Å |
| 2141 | I | 78.7 | Confident | 74.2 | Confident | 19 Ų | 19 | 61.7 Ų | 61.7 | 10% | 0.097 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -70.3 | -38 | 177.4 | -73.1 | 158.6 | 0 | 0 | 0 | 111.1 | S2137 L2138 Q2143 N2144 E2145 G2146 H2163 L2166 | S2137-I2141 WeakPolarHBondContact O-CB 3.49Å; S2137-I2141 WeakPolarHBondContact O-CD1 3.43Å; S2137-I2141 VanDerWaalsContact O-CG1 3.29Å; S2137-I2141 WeakPolarHBondContact O-CG1 3.32Å; S2137-I2141 PolarHBondContact O-N 3.44Å; L2138-I2141 PolarHBondContact O-N 2.92Å; I2141-Q2143 VanDerWaalsContact C-N 3.34Å; I2141-N2144 PolarHBondContact O-N 2.85Å; I2141-E2145 HydrophobicContact CG2-CB 4.45Å; I2141-E2145 WeakPolarHBondContact O-CA 3.34Å; I2141-E2145 WeakPolarHBondContact O-CB 3.48Å; I2141-E2145 PolarHBondContact O-N 3.41Å; I2141-G2146 PolarHBondContact O-N 2.83Å; I2141-H2163 HydrophobicContact CD1-CB 4.31Å; I2141-H2163 WeakPolarHBondContact CD1-ND1 3.38Å; I2141-L2166 HydrophobicContact CD1-CD2 3.76Å |
| 2142 | I | 73.5 | Confident | 72.7 | Confident | 67 Ų | 67 | 59.5 Ų | 59.5 | 34% | 0.344 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.1 | -35.9 | 173.8 | -68 | 167.4 | 0 | 0 | 0 | 111 | L2138 E2139 G2146 L2150 | L2138-I2142 HydrophobicContact CD1-CD1 3.94Å; L2138-I2142 HydrophobicContact CD1-CG1 4.28Å; L2138-I2142 HydrophobicContact CG-CD1 3.84Å; L2138-I2142 WeakPolarHBondContact O-CB 3.42Å; L2138-I2142 VanDerWaalsContact O-CG1 3.24Å; L2138-I2142 WeakPolarHBondContact O-CG1 3.4Å; L2138-I2142 PolarHBondContact O-N 3.23Å; E2139-I2142 PolarHBondContact O-N 2.9Å; I2142-G2146 WeakPolarHBondContact O-CA 3.32Å; I2142-G2146 PolarHBondContact O-N 2.93Å; I2142-G2146 VanDerWaalsContact O-N 3.14Å; I2142-L2150 HydrophobicContact CD1-CD1 4.07Å; I2142-L2150 HydrophobicContact CG1-CD1 4.37Å |
| 2143 | Q | 72.6 | Confident | 70.9 | Confident | 163 Ų | 163 | 59 Ų | 59 | 76% | 0.762 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -67.2 | -40.4 | 172.8 | -80.1 | -176.2 | -24.5 | 0 | 0 | 113.1 | E2139 T2140 I2141 | E2139-Q2143 WeakPolarHBondContact O-CB 3.05Å; E2139-Q2143 WeakPolarHBondContact O-CG 3.47Å; E2139-Q2143 PolarHBondContact O-N 2.85Å; T2140-Q2143 PolarHBondContact O-N 3.48Å; I2141-Q2143 VanDerWaalsContact C-N 3.34Å |
| 2144 | N | 74.8 | Confident | 69.1 | Low | 127 Ų | 127 | 61 Ų | 61 | 68% | 0.679 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -93 | -33.1 | -171.4 | -68.6 | -24.7 | 0 | 0 | 0 | 114.7 | T2140 I2141 | T2140-N2144 WeakPolarHBondContact CG2-ND2 3.34Å; T2140-N2144 VanDerWaalsContact O-CB 3.31Å; T2140-N2144 WeakPolarHBondContact O-CB 3.31Å; T2140-N2144 VanDerWaalsContact O-CG 3.27Å; T2140-N2144 PolarHBondContact O-N 3Å; T2140-N2144 PolarHBondContact O-ND2 3.34Å; I2141-N2144 PolarHBondContact O-N 2.85Å |
| 2145 | E | 71.1 | Confident | 67.4 | Low | 64 Ų | 64 | 61.6 Ų | 61.6 | 30% | 0.299 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -115.2 | -10.1 | -178.1 | -63.5 | -172.2 | -148.1 | 0 | 0 | 113.8 | I2141 R2162 H2163 | I2141-E2145 HydrophobicContact CG2-CB 4.45Å; I2141-E2145 WeakPolarHBondContact O-CA 3.34Å; I2141-E2145 WeakPolarHBondContact O-CB 3.48Å; I2141-E2145 PolarHBondContact O-N 3.41Å; E2145-R2162 VanDerWaalsContact CD-NH1 3.34Å; E2145-R2162 WeakPolarHBondContact OE2-CD 3.17Å; E2145-R2162 IonicContact OE2-CZ 2.69Å; E2145-R2162 IonicContact OE2-NE 3.16Å; E2145-R2162 IonicContact OE2-NH1 3.54Å; E2145-R2162 PolarHBondContact OE2-NH1 3.13Å; E2145-H2163 IonicContact OE1-CD2 3.63Å; E2145-H2163 IonicContact OE1-CE1 2.58Å; E2145-H2163 PolarHBondContact OE1-CE1 2.75Å; E2145-H2163 IonicContact OE1-NE2 3Å; E2145-H2163 PolarHBondContact OE1-NE2 3.4Å; E2145-H2163 IonicContact OE2-NE2 3.6Å |
| 2146 | G | 64 | Low | 65.7 | Low | 22 Ų | 22 | 62.6 Ų | 62.6 | 23% | 0.227 | 32% | 0.323 | C | S | . | . | trans | 79.3 | 171.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | I2141 I2142 E2148 C2149 | I2141-G2146 PolarHBondContact O-N 2.83Å; I2142-G2146 WeakPolarHBondContact O-CA 3.32Å; I2142-G2146 PolarHBondContact O-N 2.93Å; I2142-G2146 VanDerWaalsContact O-N 3.14Å; G2146-E2148 PolarHBondContact O-N 3.15Å; G2146-C2149 PolarHBondContact O-SG 3.45Å | ||
| 2147 | D | 63.1 | Low | 64.2 | Low | 69 Ų | 69 | 63 Ų | 63 | 37% | 0.369 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -68.1 | -9.6 | 174.4 | 70.1 | -55.9 | 0 | 0 | 0 | 113.3 | C2149 L2150 K2273 | D2147-C2149 PolarHBondContact O-N 2.99Å; D2147-L2150 PolarHBondContact O-N 3.3Å; D2147-K2273 IonicContact OD2-NZ 2.66Å; D2147-K2273 PolarHBondContact OD2-NZ 3.22Å |
| 2148 | E | 58.4 | Low | 63.3 | Low | 87 Ų | 87 | 61.4 Ų | 61.4 | 41% | 0.407 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -44.5 | -46.2 | 168.4 | -79.1 | -79.7 | 87.3 | 0 | 0 | 113.1 | G2146 L2150 H2151 C2152 K2273 | G2146-E2148 PolarHBondContact O-N 3.15Å; E2148-L2150 VanDerWaalsContact C-N 3.31Å; E2148-L2150 PolarHBondContact O-N 2.83Å; E2148-H2151 CarbonylContact O-C 3.49Å; E2148-H2151 PolarHBondContact O-N 2.95Å; E2148-H2151 VanDerWaalsContact O-N 3.15Å; E2148-C2152 WeakPolarHBondContact O-CB 3.44Å; E2148-C2152 PolarHBondContact O-N 3.26Å; E2148-C2152 PolarHBondContact O-SG 3.02Å; E2148-K2273 WeakPolarHBondContact OE1-CE 3.39Å; E2148-K2273 IonicContact OE1-NZ 2.71Å; E2148-K2273 PolarHBondContact OE1-NZ 3.36Å |
| 2149 | C | 61.7 | Low | 62.8 | Low | 6 Ų | 6 | 59.9 Ų | 59.9 | 4% | 0.041 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -64.9 | -30.4 | -173.7 | 64.3 | 0 | 0 | 0 | 0 | 114 | G2146 D2147 H2151 L2159 | G2146-C2149 PolarHBondContact O-SG 3.45Å; D2147-C2149 PolarHBondContact O-N 2.99Å; C2149-H2151 VanDerWaalsContact C-N 3.31Å; C2149-L2159 HydrophobicContact CB-CD1 4.29Å; C2149-L2159 PolarHBondContact O-N 2.77Å |
| 2150 | L | 61.3 | Low | 62.4 | Low | 45 Ų | 45 | 56 Ų | 56 | 24% | 0.236 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -78.3 | -15 | 178.9 | -64.1 | 175.5 | 0 | 0 | 0 | 113.1 | L2138 I2142 D2147 E2148 L2159 | L2138-L2150 HydrophobicContact CD1-CD2 4.2Å; I2142-L2150 HydrophobicContact CD1-CD1 4.07Å; I2142-L2150 HydrophobicContact CG1-CD1 4.37Å; D2147-L2150 PolarHBondContact O-N 3.3Å; E2148-L2150 VanDerWaalsContact C-N 3.31Å; E2148-L2150 PolarHBondContact O-N 2.83Å; L2150-L2159 HydrophobicContact CD2-CD1 4.22Å; L2150-L2159 HydrophobicContact CD2-CD2 4.02Å |
| 2151 | H | 49.7 | Very low | 62.1 | Low | 69 Ų | 69 | 56.3 Ų | 56.3 | 32% | 0.319 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -128.2 | 33.3 | -173.9 | -63 | -22.3 | 0 | 0 | 0 | 111.5 | E2148 C2149 R2268 | E2148-H2151 CarbonylContact O-C 3.49Å; E2148-H2151 PolarHBondContact O-N 2.95Å; E2148-H2151 VanDerWaalsContact O-N 3.15Å; C2149-H2151 VanDerWaalsContact C-N 3.31Å; H2151-R2268 WeakPolarHBondContact O-CG 3.48Å; H2151-R2268 PolarHBondContact O-NE 3.08Å |
| 2152 | C | 51.3 | Low | 61.8 | Low | 7 Ų | 7 | 61.3 Ų | 61.3 | 5% | 0.047 | 31% | 0.306 | C | S | . | . | trans | -103.4 | 89.8 | -172.3 | -103.7 | 0 | 0 | 0 | 0 | 115 | E2148 S2154 L2157 L2186 R2268 | E2148-C2152 WeakPolarHBondContact O-CB 3.44Å; E2148-C2152 PolarHBondContact O-N 3.26Å; E2148-C2152 PolarHBondContact O-SG 3.02Å; C2152-S2154 PolarHBondContact O-N 3.21Å; C2152-L2157 HydrophobicContact CB-CB 4.07Å; C2152-L2157 WeakPolarHBondContact CB-O 3.46Å; C2152-L2157 VanDerWaalsContact SG-CB 3.58Å; C2152-L2186 WeakPolarHBondContact O-CD1 3.29Å; C2152-R2268 PolarHBondContact SG-NH2 3.38Å | ||
| 2153 | Q | 45.1 | Very low | 62.3 | Low | 77 Ų | 77 | 60.3 Ų | 60.3 | 36% | 0.36 | 30% | 0.299 | S | S | . | . | trans | -60.8 | -10.3 | 170.4 | -69.7 | -179.8 | -32.2 | 0 | 0 | 114.6 | R2268 | Q2153-R2268 HydrophobicContact CG-CB 4.26Å; Q2153-R2268 HydrophobicContact CG-CG 4.07Å | ||
| 2154 | S | 48.4 | Very low | 62.8 | Low | 44 Ų | 44 | 53.7 Ų | 53.7 | 31% | 0.308 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -89.9 | 109.5 | 174.2 | 40.7 | 0 | 0 | 0 | 0 | 110.3 | C2152 Q2156 L2157 S2158 R2268 | C2152-S2154 PolarHBondContact O-N 3.21Å; S2154-Q2156 VanDerWaalsContact C-N 3.28Å; S2154-Q2156 PolarHBondContact O-N 3.44Å; S2154-L2157 PolarHBondContact O-N 3.42Å; S2154-S2158 PolarHBondContact O-N 3.49Å; S2154-R2268 PolarHBondContact OG-NH2 3.27Å |
| 2155 | V | 51.4 | Low | 63.3 | Low | 18 Ų | 18 | 50.6 Ų | 50.6 | 11% | 0.109 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -47.4 | -42.8 | -168.8 | -170.6 | 0 | 0 | 0 | 0 | 114.2 | L2157 S2158 H2161 I2189 W2190 | V2155-L2157 PolarHBondContact O-N 3.47Å; V2155-L2157 VanDerWaalsContact O-N 3.12Å; V2155-S2158 PolarHBondContact O-N 3.06Å; V2155-S2158 PolarHBondContact O-OG 3.09Å; V2155-H2161 WeakPolarHBondContact O-CB 3.21Å; V2155-I2189 HydrophobicContact CG2-CB 4.1Å; V2155-I2189 HydrophobicContact CG2-CG2 3.62Å; V2155-W2190 HydrophobicContact CG1-CB 4.29Å |
| 2156 | Q | 45.2 | Very low | 64.1 | Low | 152 Ų | 152 | 48 Ų | 48 | 71% | 0.71 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -66 | -12.6 | -178.1 | -69.7 | 174.3 | -38 | 0 | 0 | 115 | S2154 | S2154-Q2156 VanDerWaalsContact C-N 3.28Å; S2154-Q2156 PolarHBondContact O-N 3.44Å |
| 2157 | L | 52.5 | Low | 65.2 | Low | 72 Ų | 72 | 47 Ų | 47 | 38% | 0.377 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -120.1 | 4.2 | 179.9 | -70.9 | 162.9 | 0 | 0 | 0 | 112.4 | C2152 S2154 V2155 | C2152-L2157 HydrophobicContact CB-CB 4.07Å; C2152-L2157 WeakPolarHBondContact CB-O 3.46Å; C2152-L2157 VanDerWaalsContact SG-CB 3.58Å; S2154-L2157 PolarHBondContact O-N 3.42Å; V2155-L2157 PolarHBondContact O-N 3.47Å; V2155-L2157 VanDerWaalsContact O-N 3.12Å |
| 2158 | S | 63.1 | Low | 66.4 | Low | 4 Ų | 4 | 43.7 Ų | 43.7 | 3% | 0.028 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -75 | 146.8 | 176 | 72.6 | 0 | 0 | 0 | 0 | 111 | S2154 V2155 L2160 H2161 R2162 | S2154-S2158 PolarHBondContact O-N 3.49Å; V2155-S2158 PolarHBondContact O-N 3.06Å; V2155-S2158 PolarHBondContact O-OG 3.09Å; S2158-L2160 PolarHBondContact O-N 3.33Å; S2158-H2161 PolarHBondContact O-N 3.44Å; S2158-R2162 PolarHBondContact O-N 3.43Å; S2158-R2162 VanDerWaalsContact O-N 3.1Å |
| 2159 | L | 71.8 | Confident | 67.9 | Low | 5 Ų | 5 | 39.5 Ų | 39.5 | 3% | 0.026 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -50.7 | -40.5 | 174.4 | -157.4 | 79.8 | 0 | 0 | 0 | 111.4 | C2149 L2150 H2161 R2162 H2163 L2166 T2167 L2170 L2183 | C2149-L2159 HydrophobicContact CB-CD1 4.29Å; C2149-L2159 PolarHBondContact O-N 2.77Å; L2150-L2159 HydrophobicContact CD2-CD1 4.22Å; L2150-L2159 HydrophobicContact CD2-CD2 4.02Å; L2159-H2161 VanDerWaalsContact C-N 3.25Å; L2159-H2161 PolarHBondContact O-N 2.9Å; L2159-R2162 PolarHBondContact O-N 2.89Å; L2159-H2163 HydrophobicContact CD1-CB 4.27Å; L2159-H2163 HydrophobicContact CG-CB 4.31Å; L2159-H2163 CarbonylContact O-C 3.12Å; L2159-H2163 VanDerWaalsContact O-CA 3.28Å; L2159-H2163 WeakPolarHBondContact O-CA 3.46Å; L2159-H2163 PolarHBondContact O-N 2.8Å; L2159-L2166 HydrophobicContact CD1-CD2 4.48Å; L2159-T2167 WeakPolarHBondContact CG-OG1 3.14Å; L2159-T2167 PolarHBondContact O-OG1 3.11Å; L2159-L2170 HydrophobicContact CD2-CD1 3.83Å; L2159-L2183 HydrophobicContact CD2-CD2 4.08Å |
| 2160 | L | 74 | Confident | 68.9 | Low | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.1 | -30.8 | 178.9 | -173.6 | 64 | 0 | 0 | 0 | 113.6 | S2158 T2164 T2167 W2168 L2187 W2190 | S2158-L2160 PolarHBondContact O-N 3.33Å; L2160-T2164 HydrophobicContact CD1-CG2 4.47Å; L2160-T2164 WeakPolarHBondContact O-CA 3.4Å; L2160-T2164 VanDerWaalsContact O-CB 3.31Å; L2160-T2164 WeakPolarHBondContact O-CB 3.44Å; L2160-T2164 WeakPolarHBondContact O-CG2 3.21Å; L2160-T2164 PolarHBondContact O-OG1 3.33Å; L2160-T2167 WeakPolarHBondContact CA-OG1 3.09Å; L2160-T2167 HydrophobicContact CB-CG2 4.08Å; L2160-T2167 HydrophobicContact CD1-CG2 3.8Å; L2160-T2167 PolarHBondContact N-OG1 3.4Å; L2160-W2168 HydrophobicContact CD1-CZ2 4.24Å; L2160-L2187 HydrophobicContact CD2-CB 4.31Å; L2160-L2187 HydrophobicContact CD2-CD1 4.07Å; L2160-W2190 HydrophobicContact CD2-CB 3.84Å; L2160-W2190 HydrophobicContact CD2-CD2 3.9Å; L2160-W2190 HydrophobicContact CD2-CE3 4.18Å; L2160-W2190 HydrophobicContact CD2-CG 3.76Å; L2160-W2190 HydrophobicContact CG-CD2 3.9Å; L2160-W2190 HydrophobicContact CG-CE3 4.36Å; L2160-W2190 HydrophobicContact CG-CG 4Å; L2160-W2190 PolarHBondContact O-NE1 2.85Å |
| 2161 | H | 71.6 | Confident | 70 | Confident | 61 Ų | 61 | 38 Ų | 38 | 28% | 0.282 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -95.6 | -34.5 | -178.7 | -171.3 | 79.7 | 0 | 0 | 0 | 114.1 | V2155 S2158 L2159 W2190 E2197 | V2155-H2161 WeakPolarHBondContact O-CB 3.21Å; S2158-H2161 PolarHBondContact O-N 3.44Å; L2159-H2161 VanDerWaalsContact C-N 3.25Å; L2159-H2161 PolarHBondContact O-N 2.9Å; H2161-W2190 AromaticContact CG-NE1 3.96Å; H2161-W2190 AromaticContact ND1-CD1 3.73Å; H2161-W2190 AromaticContact ND1-NE1 3.51Å; H2161-E2197 IonicContact CE1-OE1 3.75Å |
| 2162 | R | 73.1 | Confident | 71.5 | Confident | 125 Ų | 125 | 35.3 Ų | 35.3 | 47% | 0.472 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -83.9 | -42 | 176.1 | -77.1 | -168.7 | 164.5 | -168 | -8.1 | 113.3 | E2145 S2158 L2159 | E2145-R2162 VanDerWaalsContact CD-NH1 3.34Å; E2145-R2162 WeakPolarHBondContact OE2-CD 3.17Å; E2145-R2162 IonicContact OE2-CZ 2.69Å; E2145-R2162 IonicContact OE2-NE 3.16Å; E2145-R2162 IonicContact OE2-NH1 3.54Å; E2145-R2162 PolarHBondContact OE2-NH1 3.13Å; S2158-R2162 PolarHBondContact O-N 3.43Å; S2158-R2162 VanDerWaalsContact O-N 3.1Å; L2159-R2162 PolarHBondContact O-N 2.89Å |
| 2163 | H | 83.5 | Confident | 72.8 | Confident | 45 Ų | 45 | 36.7 Ų | 36.7 | 21% | 0.208 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -128.3 | 52.9 | -170 | -63.6 | -65.2 | 0 | 0 | 0 | 110.2 | I2141 E2145 L2159 Q2165 L2166 T2167 | I2141-H2163 HydrophobicContact CD1-CB 4.31Å; I2141-H2163 WeakPolarHBondContact CD1-ND1 3.38Å; E2145-H2163 IonicContact OE1-CD2 3.63Å; E2145-H2163 IonicContact OE1-CE1 2.58Å; E2145-H2163 PolarHBondContact OE1-CE1 2.75Å; E2145-H2163 IonicContact OE1-NE2 3Å; E2145-H2163 PolarHBondContact OE1-NE2 3.4Å; E2145-H2163 IonicContact OE2-NE2 3.6Å; L2159-H2163 HydrophobicContact CD1-CB 4.27Å; L2159-H2163 HydrophobicContact CG-CB 4.31Å; L2159-H2163 CarbonylContact O-C 3.12Å; L2159-H2163 VanDerWaalsContact O-CA 3.28Å; L2159-H2163 WeakPolarHBondContact O-CA 3.46Å; L2159-H2163 PolarHBondContact O-N 2.8Å; H2163-Q2165 VanDerWaalsContact C-N 3.28Å; H2163-Q2165 PolarHBondContact O-N 3.22Å; H2163-L2166 HydrophobicContact CB-CB 4.08Å; H2163-L2166 PolarHBondContact O-N 2.9Å; H2163-L2166 VanDerWaalsContact O-N 3.09Å; H2163-T2167 PolarHBondContact O-N 2.7Å; H2163-T2167 PolarHBondContact O-OG1 3.33Å |
| 2164 | T | 83.2 | Confident | 74.2 | Confident | 25 Ų | 25 | 35.3 Ų | 35.3 | 15% | 0.153 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.1 | -41.1 | -173.7 | -43.8 | 0 | 0 | 0 | 0 | 112.2 | M2124 F2126 L2160 T2167 W2168 W2190 | M2124-T2164 HydrophobicContact SD-CG2 4.26Å; F2126-T2164 HydrophobicContact CE1-CG2 4.22Å; F2126-T2164 HydrophobicContact CE2-CG2 4.09Å; F2126-T2164 HydrophobicContact CZ-CG2 3.49Å; F2126-T2164 VanDerWaalsContact CZ-CG2 3.49Å; L2160-T2164 HydrophobicContact CD1-CG2 4.47Å; L2160-T2164 WeakPolarHBondContact O-CA 3.4Å; L2160-T2164 VanDerWaalsContact O-CB 3.31Å; L2160-T2164 WeakPolarHBondContact O-CB 3.44Å; L2160-T2164 WeakPolarHBondContact O-CG2 3.21Å; L2160-T2164 PolarHBondContact O-OG1 3.33Å; T2164-T2167 PolarHBondContact O-N 3.09Å; T2164-W2168 PolarHBondContact O-N 2.81Å; T2164-W2190 HydrophobicContact CG2-CH2 3.87Å; T2164-W2190 HydrophobicContact CG2-CZ2 3.67Å |
| 2165 | Q | 86.5 | Confident | 75.2 | Confident | 62 Ų | 62 | 35 Ų | 35 | 29% | 0.29 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -59.8 | -50.4 | 174.3 | 172.7 | 160.6 | 1.7 | 0 | 0 | 112.6 | F2126 S2127 L2129 H2163 T2167 N2169 | F2126-Q2165 HydrophobicContact CB-CB 4.01Å; F2126-Q2165 HydrophobicContact CB-CG 3.79Å; F2126-Q2165 HydrophobicContact CD1-CB 3.67Å; F2126-Q2165 HydrophobicContact CD1-CG 4.38Å; F2126-Q2165 HydrophobicContact CE1-CB 4.4Å; F2126-Q2165 HydrophobicContact CG-CB 3.94Å; F2126-Q2165 HydrophobicContact CG-CG 4.3Å; S2127-Q2165 PolarHBondContact O-NE2 3.12Å; S2127-Q2165 PolarHBondContact OG-NE2 2.96Å; S2127-Q2165 VanDerWaalsContact OG-NE2 3.13Å; L2129-Q2165 HydrophobicContact CD1-CG 4.18Å; H2163-Q2165 VanDerWaalsContact C-N 3.28Å; H2163-Q2165 PolarHBondContact O-N 3.22Å; Q2165-T2167 PolarHBondContact O-N 2.87Å; Q2165-N2169 WeakPolarHBondContact O-CB 3.22Å; Q2165-N2169 PolarHBondContact O-N 2.84Å; Q2165-N2169 VanDerWaalsContact O-N 3.11Å; Q2165-N2169 PolarHBondContact O-ND2 2.87Å |
| 2166 | L | 87 | Confident | 76 | Confident | 9 Ų | 9 | 37.7 Ų | 37.7 | 5% | 0.047 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.8 | -38.8 | 177.2 | -169.8 | 76.6 | 0 | 0 | 0 | 110.6 | I2134 L2138 I2141 L2159 H2163 N2169 L2170 | I2134-L2166 HydrophobicContact CB-CD1 4.5Å; I2134-L2166 HydrophobicContact CG2-CD1 4.08Å; L2138-L2166 HydrophobicContact CB-CD2 4.3Å; L2138-L2166 HydrophobicContact CD1-CD2 4.17Å; I2141-L2166 HydrophobicContact CD1-CD2 3.76Å; L2159-L2166 HydrophobicContact CD1-CD2 4.48Å; H2163-L2166 HydrophobicContact CB-CB 4.08Å; H2163-L2166 PolarHBondContact O-N 2.9Å; H2163-L2166 VanDerWaalsContact O-N 3.09Å; L2166-N2169 PolarHBondContact O-N 2.66Å; L2166-L2170 HydrophobicContact CD2-CD1 4.11Å; L2166-L2170 HydrophobicContact CG-CD1 3.88Å; L2166-L2170 HydrophobicContact CG-CG 4.4Å; L2166-L2170 WeakPolarHBondContact O-CB 3.36Å; L2166-L2170 WeakPolarHBondContact O-CG 3.49Å; L2166-L2170 PolarHBondContact O-N 3.27Å |
| 2167 | T | 86.3 | Confident | 76.9 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.5 | -47.3 | -178.2 | -53.9 | 0 | 0 | 0 | 0 | 111.9 | L2159 L2160 H2163 T2164 Q2165 L2170 V2171 L2183 | L2159-T2167 WeakPolarHBondContact CG-OG1 3.14Å; L2159-T2167 PolarHBondContact O-OG1 3.11Å; L2160-T2167 WeakPolarHBondContact CA-OG1 3.09Å; L2160-T2167 HydrophobicContact CB-CG2 4.08Å; L2160-T2167 HydrophobicContact CD1-CG2 3.8Å; L2160-T2167 PolarHBondContact N-OG1 3.4Å; H2163-T2167 PolarHBondContact O-N 2.7Å; H2163-T2167 PolarHBondContact O-OG1 3.33Å; T2164-T2167 PolarHBondContact O-N 3.09Å; Q2165-T2167 PolarHBondContact O-N 2.87Å; T2167-L2170 PolarHBondContact O-N 3.4Å; T2167-V2171 HydrophobicContact CG2-CG2 4.44Å; T2167-V2171 WeakPolarHBondContact O-CB 3.41Å; T2167-V2171 VanDerWaalsContact O-CG2 3.26Å; T2167-V2171 WeakPolarHBondContact O-CG2 3.31Å; T2167-V2171 PolarHBondContact O-N 2.95Å; T2167-L2183 HydrophobicContact CG2-CB 4.19Å |
| 2168 | W | 88.7 | Confident | 76.9 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.1 | -36 | 177 | -71.2 | 112.3 | 0 | 0 | 0 | 112.8 | V2002 I2004 L2048 I2050 I2052 M2124 F2126 L2160 T2164 V2171 W2172 L2184 L2187 | V2002-W2168 HydrophobicContact CG1-CH2 3.99Å; V2002-W2168 HydrophobicContact CG1-CZ3 3.87Å; I2004-W2168 HydrophobicContact CD1-CE3 3.91Å; I2004-W2168 HydrophobicContact CD1-CZ3 4.06Å; I2004-W2168 HydrophobicContact CG1-CE3 4.45Å; L2048-W2168 HydrophobicContact CD2-CB 3.84Å; I2050-W2168 HydrophobicContact CB-CD2 4.49Å; I2050-W2168 HydrophobicContact CD1-CB 3.72Å; I2050-W2168 HydrophobicContact CD1-CD2 4.02Å; I2050-W2168 HydrophobicContact CD1-CG 3.6Å; I2050-W2168 HydrophobicContact CG1-CB 4.27Å; I2050-W2168 HydrophobicContact CG1-CD2 3.81Å; I2050-W2168 HydrophobicContact CG1-CE3 3.94Å; I2050-W2168 HydrophobicContact CG1-CG 3.95Å; I2050-W2168 HydrophobicContact CG2-CD2 4.26Å; I2050-W2168 HydrophobicContact CG2-CE3 4.11Å; I2050-W2168 HydrophobicContact CG2-CH2 3.91Å; I2050-W2168 HydrophobicContact CG2-CZ2 4.06Å; I2050-W2168 HydrophobicContact CG2-CZ3 3.93Å; I2052-W2168 HydrophobicContact CD1-CH2 4.47Å; I2052-W2168 HydrophobicContact CD1-CZ2 4.39Å; M2124-W2168 HydrophobicContact CE-CZ2 3.81Å; F2126-W2168 AromaticContact CE2-CD1 3.41Å; F2126-W2168 VanDerWaalsContact CE2-CD1 3.41Å; F2126-W2168 HydrophobicContact CE2-CG 4.31Å; L2160-W2168 HydrophobicContact CD1-CZ2 4.24Å; T2164-W2168 PolarHBondContact O-N 2.81Å; W2168-V2171 HydrophobicContact CE3-CB 4.43Å; W2168-V2171 HydrophobicContact CE3-CG1 4.23Å; W2168-V2171 HydrophobicContact CZ3-CG1 4.37Å; W2168-V2171 PolarHBondContact O-N 2.66Å; W2168-W2172 WeakPolarHBondContact O-CB 3.42Å; W2168-W2172 PolarHBondContact O-N 3.04Å; W2168-L2184 HydrophobicContact CE3-CD2 4.43Å; W2168-L2184 HydrophobicContact CH2-CD2 3.77Å; W2168-L2184 HydrophobicContact CZ3-CD2 3.72Å; W2168-L2187 HydrophobicContact CH2-CD1 3.82Å; W2168-L2187 HydrophobicContact CH2-CD2 4.18Å; W2168-L2187 HydrophobicContact CZ2-CD1 3.71Å |
| 2169 | N | 89.9 | Confident | 76.2 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.4 | -42.2 | 171.8 | -83.4 | -84.4 | 0 | 0 | 0 | 111.8 | L2048 S2127 Y2128 L2129 I2134 Q2165 L2166 L2173 | L2048-N2169 HydrophobicContact CD2-CB 4.46Å; S2127-N2169 PolarHBondContact O-ND2 2.88Å; Y2128-N2169 WeakPolarHBondContact CA-OD1 3.4Å; L2129-N2169 PolarHBondContact N-OD1 3.49Å; I2134-N2169 HydrophobicContact CD1-CB 3.89Å; I2134-N2169 HydrophobicContact CG1-CB 4.19Å; Q2165-N2169 WeakPolarHBondContact O-CB 3.22Å; Q2165-N2169 PolarHBondContact O-N 2.84Å; Q2165-N2169 VanDerWaalsContact O-N 3.11Å; Q2165-N2169 PolarHBondContact O-ND2 2.87Å; L2166-N2169 PolarHBondContact O-N 2.66Å; N2169-L2173 VanDerWaalsContact O-CB 3.24Å; N2169-L2173 WeakPolarHBondContact O-CB 3.37Å; N2169-L2173 PolarHBondContact O-N 3.26Å |
| 2170 | L | 83.8 | Confident | 74.9 | Confident | 19 Ų | 19 | 44.1 Ų | 44.1 | 10% | 0.099 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.5 | -40.3 | 174.6 | -79.3 | 167 | 0 | 0 | 0 | 112.9 | I2134 L2138 L2159 L2166 T2167 L2173 M2174 L2183 | I2134-L2170 HydrophobicContact CG2-CD2 3.66Å; I2134-L2170 HydrophobicContact CG2-CG 3.99Å; L2138-L2170 HydrophobicContact CD1-CD1 4.41Å; L2138-L2170 HydrophobicContact CD2-CD2 4.48Å; L2159-L2170 HydrophobicContact CD2-CD1 3.83Å; L2166-L2170 HydrophobicContact CD2-CD1 4.11Å; L2166-L2170 HydrophobicContact CG-CD1 3.88Å; L2166-L2170 HydrophobicContact CG-CG 4.4Å; L2166-L2170 WeakPolarHBondContact O-CB 3.36Å; L2166-L2170 WeakPolarHBondContact O-CG 3.49Å; L2166-L2170 PolarHBondContact O-N 3.27Å; T2167-L2170 PolarHBondContact O-N 3.4Å; L2170-L2173 PolarHBondContact O-N 2.98Å; L2170-M2174 WeakPolarHBondContact O-CB 3.42Å; L2170-M2174 WeakPolarHBondContact O-CG 3.32Å; L2170-M2174 PolarHBondContact O-N 3Å; L2170-L2183 HydrophobicContact CB-CD1 3.71Å |
| 2171 | V | 83 | Confident | 74.2 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.1 | -47.4 | 175.1 | 164.3 | 0 | 0 | 0 | 0 | 110.4 | I2004 T2167 W2168 Y2175 L2183 L2184 | I2004-V2171 HydrophobicContact CD1-CG1 3.94Å; T2167-V2171 HydrophobicContact CG2-CG2 4.44Å; T2167-V2171 WeakPolarHBondContact O-CB 3.41Å; T2167-V2171 VanDerWaalsContact O-CG2 3.26Å; T2167-V2171 WeakPolarHBondContact O-CG2 3.31Å; T2167-V2171 PolarHBondContact O-N 2.95Å; W2168-V2171 HydrophobicContact CE3-CB 4.43Å; W2168-V2171 HydrophobicContact CE3-CG1 4.23Å; W2168-V2171 HydrophobicContact CZ3-CG1 4.37Å; W2168-V2171 PolarHBondContact O-N 2.66Å; V2171-Y2175 WeakPolarHBondContact O-CB 3.26Å; V2171-Y2175 PolarHBondContact O-N 3.25Å; V2171-L2183 HydrophobicContact CG2-CB 3.73Å; V2171-L2183 HydrophobicContact CG2-CD1 4.07Å; V2171-L2184 HydrophobicContact CG1-CD1 3.98Å; V2171-L2184 HydrophobicContact CG1-CD2 4.32Å; V2171-L2184 HydrophobicContact CG1-CG 4.25Å; V2171-L2184 HydrophobicContact CG2-CD2 3.82Å; V2171-L2184 HydrophobicContact CG2-CG 3.99Å |
| 2172 | W | 83.1 | Confident | 73.8 | Confident | 13 Ų | 13 | 49.1 Ų | 49.1 | 5% | 0.049 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.5 | -44 | 175.1 | 178 | 93.2 | 0 | 0 | 0 | 111.9 | I2004 T2006 D2019 M2023 L2048 Y2128 W2168 Y2175 R2176 | I2004-W2172 HydrophobicContact CG2-CB 4.42Å; T2006-W2172 HydrophobicContact CG2-CD2 4.27Å; T2006-W2172 HydrophobicContact CG2-CG 4.43Å; T2006-W2172 HydrophobicContact CG2-CZ2 4.11Å; D2019-W2172 HydrophobicContact CB-CZ2 3.92Å; D2019-W2172 WeakPolarHBondContact OD2-CZ2 3.43Å; M2023-W2172 HydrophobicContact SD-CH2 3.82Å; L2048-W2172 HydrophobicContact CD1-CB 4.38Å; L2048-W2172 HydrophobicContact CD1-CG 4.21Å; Y2128-W2172 HydrophobicContact CE2-CD2 4.08Å; Y2128-W2172 AromaticContact CE2-CE3 3.74Å; Y2128-W2172 HydrophobicContact CE2-CE3 3.74Å; Y2128-W2172 HydrophobicContact CE2-CH2 4.03Å; Y2128-W2172 HydrophobicContact CE2-CZ2 4.28Å; Y2128-W2172 AromaticContact CE2-CZ3 3.74Å; Y2128-W2172 HydrophobicContact CE2-CZ3 3.74Å; Y2128-W2172 AromaticContact CZ-CH2 3.8Å; Y2128-W2172 AromaticContact CZ-CZ2 3.96Å; Y2128-W2172 AromaticContact CZ-CZ3 3.99Å; Y2128-W2172 WeakPolarHBondContact OH-CH2 3.41Å; Y2128-W2172 WeakPolarHBondContact OH-CZ2 3.26Å; Y2128-W2172 WeakPolarHBondContact OH-CZ3 3.33Å; W2168-W2172 WeakPolarHBondContact O-CB 3.42Å; W2168-W2172 PolarHBondContact O-N 3.04Å; W2172-Y2175 PolarHBondContact O-N 2.84Å; W2172-R2176 HydrophobicContact CH2-CB 4.36Å; W2172-R2176 HydrophobicContact CH2-CG 4.37Å; W2172-R2176 HydrophobicContact CZ2-CB 4.39Å; W2172-R2176 HydrophobicContact CZ2-CG 4.46Å; W2172-R2176 WeakPolarHBondContact O-CB 3.5Å; W2172-R2176 PolarHBondContact O-N 3.02Å |
| 2173 | L | 78.4 | Confident | 73.6 | Confident | 36 Ų | 36 | 44.4 Ų | 44.4 | 19% | 0.188 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.8 | -44.4 | 179.8 | -172 | 74 | 0 | 0 | 0 | 111.6 | I2134 N2169 L2170 R2176 L2177 | I2134-L2173 HydrophobicContact CD1-CD2 4.34Å; N2169-L2173 VanDerWaalsContact O-CB 3.24Å; N2169-L2173 WeakPolarHBondContact O-CB 3.37Å; N2169-L2173 PolarHBondContact O-N 3.26Å; L2170-L2173 PolarHBondContact O-N 2.98Å; L2173-R2176 PolarHBondContact O-N 2.72Å; L2173-L2177 HydrophobicContact CG-CD1 4.16Å; L2173-L2177 WeakPolarHBondContact O-CB 3.44Å; L2173-L2177 VanDerWaalsContact O-CG 3.24Å; L2173-L2177 WeakPolarHBondContact O-CG 3.34Å; L2173-L2177 PolarHBondContact O-N 2.66Å |
| 2174 | M | 73.8 | Confident | 72.9 | Confident | 47 Ų | 47 | 43.1 Ų | 43.1 | 23% | 0.232 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.4 | -40.9 | 176.7 | -71 | -168.1 | 74.7 | 0 | 0 | 112 | L2170 L2177 G2178 L2179 P2180 | L2170-M2174 WeakPolarHBondContact O-CB 3.42Å; L2170-M2174 WeakPolarHBondContact O-CG 3.32Å; L2170-M2174 PolarHBondContact O-N 3Å; M2174-L2177 CarbonylContact O-C 3.52Å; M2174-L2177 PolarHBondContact O-N 3.19Å; M2174-G2178 PolarHBondContact O-N 2.85Å; M2174-G2178 VanDerWaalsContact O-N 3.16Å; M2174-L2179 HydrophobicContact CB-CB 4.2Å; M2174-L2179 HydrophobicContact CE-CB 3.75Å; M2174-L2179 HydrophobicContact CE-CD1 4.44Å; M2174-L2179 PolarHBondContact O-N 3.45Å; M2174-P2180 VanDerWaalsContact CE-O 3.26Å; M2174-P2180 WeakPolarHBondContact CE-O 3.47Å |
| 2175 | Y | 68.9 | Low | 71.9 | Confident | 37 Ų | 37 | 47.7 Ų | 47.7 | 15% | 0.145 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58 | -49.1 | 173.5 | 170.9 | -93.9 | 0 | 0 | 0 | 111.7 | V2171 W2172 L2177 G2178 L2245 S2246 L2249 V2251 | V2171-Y2175 WeakPolarHBondContact O-CB 3.26Å; V2171-Y2175 PolarHBondContact O-N 3.25Å; W2172-Y2175 PolarHBondContact O-N 2.84Å; Y2175-L2177 VanDerWaalsContact C-N 3.28Å; Y2175-L2177 PolarHBondContact O-N 2.72Å; Y2175-G2178 PolarHBondContact O-N 3.3Å; Y2175-L2245 HydrophobicContact CD2-CB 4.45Å; Y2175-L2245 HydrophobicContact CD2-CD1 3.53Å; Y2175-L2245 HydrophobicContact CE2-CB 4Å; Y2175-L2245 HydrophobicContact CE2-CD1 3.95Å; Y2175-L2245 HydrophobicContact CG-CD1 4.39Å; Y2175-S2246 PolarHBondContact OH-O 2.98Å; Y2175-L2249 HydrophobicContact CD1-CD2 4.38Å; Y2175-L2249 HydrophobicContact CE1-CB 3.63Å; Y2175-L2249 HydrophobicContact CE1-CD2 4.06Å; Y2175-L2249 HydrophobicContact CE1-CG 4.47Å; Y2175-L2249 WeakPolarHBondContact OH-CB 3.46Å; Y2175-L2249 PolarHBondContact OH-N 2.98Å; Y2175-L2249 PolarHBondContact OH-O 3.35Å; Y2175-V2251 HydrophobicContact CD2-CB 4.39Å; Y2175-V2251 HydrophobicContact CD2-CG2 3.41Å; Y2175-V2251 VanDerWaalsContact CD2-CG2 3.41Å; Y2175-V2251 HydrophobicContact CE2-CB 4.3Å; Y2175-V2251 HydrophobicContact CE2-CG2 3.6Å; Y2175-V2251 HydrophobicContact CG-CG2 4.28Å |
| 2176 | R | 68.7 | Low | 70.9 | Confident | 76 Ų | 76 | 46.1 Ų | 46.1 | 29% | 0.287 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.7 | -28.5 | 178.4 | -173.4 | 171.5 | 173.5 | 149.6 | 1.5 | 113.3 | E2020 M2023 W2172 L2173 G2178 L2249 | E2020-R2176 IonicContact OE1-CZ 3.22Å; E2020-R2176 VanDerWaalsContact OE1-CZ 3.25Å; E2020-R2176 IonicContact OE1-NH1 2.78Å; E2020-R2176 PolarHBondContact OE1-NH1 3.07Å; E2020-R2176 IonicContact OE1-NH2 2.72Å; E2020-R2176 PolarHBondContact OE1-NH2 2.77Å; E2020-R2176 IonicContact OE2-CZ 3.8Å; E2020-R2176 IonicContact OE2-NH1 2.84Å; E2020-R2176 PolarHBondContact OE2-NH1 2.8Å; E2020-R2176 IonicContact OE2-NH2 3.04Å; E2020-R2176 PolarHBondContact OE2-NH2 2.94Å; M2023-R2176 PolarHBondContact SD-NH1 3.16Å; M2023-R2176 VanDerWaalsContact SD-NH1 3.45Å; W2172-R2176 HydrophobicContact CH2-CB 4.36Å; W2172-R2176 HydrophobicContact CH2-CG 4.37Å; W2172-R2176 HydrophobicContact CZ2-CB 4.39Å; W2172-R2176 HydrophobicContact CZ2-CG 4.46Å; W2172-R2176 WeakPolarHBondContact O-CB 3.5Å; W2172-R2176 PolarHBondContact O-N 3.02Å; L2173-R2176 PolarHBondContact O-N 2.72Å; R2176-G2178 VanDerWaalsContact C-N 3.3Å; R2176-L2249 HydrophobicContact CB-CD2 4.37Å; R2176-L2249 HydrophobicContact CG-CD2 4.22Å |
| 2177 | L | 63.8 | Low | 70.1 | Confident | 114 Ų | 114 | 45.7 Ų | 45.7 | 60% | 0.597 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | 1.5 | 172.9 | -68.1 | 171.1 | 0 | 0 | 0 | 113.8 | L2173 M2174 Y2175 L2179 | L2173-L2177 HydrophobicContact CG-CD1 4.16Å; L2173-L2177 WeakPolarHBondContact O-CB 3.44Å; L2173-L2177 VanDerWaalsContact O-CG 3.24Å; L2173-L2177 WeakPolarHBondContact O-CG 3.34Å; L2173-L2177 PolarHBondContact O-N 2.66Å; M2174-L2177 CarbonylContact O-C 3.52Å; M2174-L2177 PolarHBondContact O-N 3.19Å; Y2175-L2177 VanDerWaalsContact C-N 3.28Å; Y2175-L2177 PolarHBondContact O-N 2.72Å; L2177-L2179 HydrophobicContact CB-CD1 3.85Å; L2177-L2179 HydrophobicContact CB-CG 3.87Å; L2177-L2179 HydrophobicContact CD1-CD1 4.08Å; L2177-L2179 PolarHBondContact O-N 2.78Å |
| 2178 | G | 52.7 | Low | 68.6 | Low | 56 Ų | 56 | 46.7 Ų | 46.7 | 58% | 0.577 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 20.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | M2174 Y2175 R2176 | M2174-G2178 PolarHBondContact O-N 2.85Å; M2174-G2178 VanDerWaalsContact O-N 3.16Å; Y2175-G2178 PolarHBondContact O-N 3.3Å; R2176-G2178 VanDerWaalsContact C-N 3.3Å |
| 2179 | L | 47.7 | Very low | 67.2 | Low | 85 Ų | 85 | 50.7 Ų | 50.7 | 45% | 0.445 | 27% | 0.271 | S | S | . | . | trans | -92.8 | 129.7 | -176.1 | -63.2 | 174.6 | 0 | 0 | 0 | 111 | M2174 L2177 T2181 | M2174-L2179 HydrophobicContact CB-CB 4.2Å; M2174-L2179 HydrophobicContact CE-CB 3.75Å; M2174-L2179 HydrophobicContact CE-CD1 4.44Å; M2174-L2179 PolarHBondContact O-N 3.45Å; L2177-L2179 HydrophobicContact CB-CD1 3.85Å; L2177-L2179 HydrophobicContact CB-CG 3.87Å; L2177-L2179 HydrophobicContact CD1-CD1 4.08Å; L2177-L2179 PolarHBondContact O-N 2.78Å; L2179-T2181 PolarHBondContact O-N 2.87Å | ||
| 2180 | P | 46 | Very low | 66.3 | Low | 112 Ų | 112 | 51.2 Ų | 51.2 | 73% | 0.727 | 27% | 0.273 | S | S | * | . | trans | -64.9 | 136.2 | 175.2 | 27.8 | -34.3 | 0 | 0 | 0 | 110.6 | M2174 | M2174-P2180 VanDerWaalsContact CE-O 3.26Å; M2174-P2180 WeakPolarHBondContact CE-O 3.47Å | ||
| 2181 | T | 59.5 | Low | 65.4 | Low | 38 Ų | 38 | 50.8 Ų | 50.8 | 23% | 0.233 | 27% | 0.271 | C | S | . | . | trans | -129.5 | 130.9 | -176.4 | -175.9 | 0 | 0 | 0 | 0 | 112.2 | L2179 L2183 | L2179-T2181 PolarHBondContact O-N 2.87Å; T2181-L2183 WeakPolarHBondContact OG1-CG 3.1Å; T2181-L2183 PolarHBondContact OG1-N 3.01Å | ||
| 2182 | Y | 62.7 | Low | 63.9 | Low | 133 Ų | 133 | 55.2 Ų | 55.2 | 52% | 0.522 | 29% | 0.293 | S | S | . | . | trans | -95.5 | 5.8 | 175.8 | 46.6 | -96.1 | 0 | 0 | 0 | 112.4 | L2184 D2185 | Y2182-L2184 PolarHBondContact O-N 3.41Å; Y2182-D2185 WeakPolarHBondContact CA-OD1 3.28Å; Y2182-D2185 VanDerWaalsContact O-CG 3.3Å; Y2182-D2185 PolarHBondContact O-N 2.86Å | ||
| 2183 | L | 68.1 | Low | 62.8 | Low | 25 Ų | 25 | 57.2 Ų | 57.2 | 13% | 0.131 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -17.7 | -180 | -67.9 | 174.5 | 0 | 0 | 0 | 113.1 | L2159 T2167 L2170 V2171 T2181 | L2159-L2183 HydrophobicContact CD2-CD2 4.08Å; T2167-L2183 HydrophobicContact CG2-CB 4.19Å; L2170-L2183 HydrophobicContact CB-CD1 3.71Å; V2171-L2183 HydrophobicContact CG2-CB 3.73Å; V2171-L2183 HydrophobicContact CG2-CD1 4.07Å; T2181-L2183 WeakPolarHBondContact OG1-CG 3.1Å; T2181-L2183 PolarHBondContact OG1-N 3.01Å |
| 2184 | L | 69.7 | Low | 62.2 | Low | 18 Ų | 18 | 59 Ų | 59 | 9% | 0.094 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -3.3 | 179.2 | -61.4 | -175.2 | 0 | 0 | 0 | 114.3 | W2168 V2171 Y2182 L2186 L2187 | W2168-L2184 HydrophobicContact CE3-CD2 4.43Å; W2168-L2184 HydrophobicContact CH2-CD2 3.77Å; W2168-L2184 HydrophobicContact CZ3-CD2 3.72Å; V2171-L2184 HydrophobicContact CG1-CD1 3.98Å; V2171-L2184 HydrophobicContact CG1-CD2 4.32Å; V2171-L2184 HydrophobicContact CG1-CG 4.25Å; V2171-L2184 HydrophobicContact CG2-CD2 3.82Å; V2171-L2184 HydrophobicContact CG2-CG 3.99Å; Y2182-L2184 PolarHBondContact O-N 3.41Å; L2184-L2186 PolarHBondContact O-N 3.17Å; L2184-L2187 HydrophobicContact CB-CB 4.39Å; L2184-L2187 HydrophobicContact CD2-CD2 4.35Å; L2184-L2187 WeakPolarHBondContact O-CB 3.31Å; L2184-L2187 PolarHBondContact O-N 3.46Å |
| 2185 | D | 62.8 | Low | 61.2 | Low | 121 Ų | 121 | 59.4 Ų | 59.4 | 65% | 0.647 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -23.4 | -177.9 | -66.8 | 8.9 | 0 | 0 | 0 | 113.3 | Y2182 | Y2182-D2185 WeakPolarHBondContact CA-OD1 3.28Å; Y2182-D2185 VanDerWaalsContact O-CG 3.3Å; Y2182-D2185 PolarHBondContact O-N 2.86Å |
| 2186 | L | 65.2 | Low | 60.3 | Low | 30 Ų | 30 | 62 Ų | 62 | 16% | 0.157 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -3.3 | 178.2 | -63.5 | 170.6 | 0 | 0 | 0 | 113.6 | C2152 L2184 P2188 I2189 W2190 | C2152-L2186 WeakPolarHBondContact O-CD1 3.29Å; L2184-L2186 PolarHBondContact O-N 3.17Å; L2186-P2188 VanDerWaalsContact C-CD 3.49Å; L2186-I2189 HydrophobicContact CD2-CD1 4.15Å; L2186-I2189 PolarHBondContact O-N 3.29Å; L2186-I2189 VanDerWaalsContact O-N 3.16Å; L2186-W2190 WeakPolarHBondContact O-CB 3.43Å; L2186-W2190 PolarHBondContact O-N 2.83Å |
| 2187 | L | 68.6 | Low | 59.6 | Low | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -52.9 | -43.8 | -176.6 | -177.4 | 69.5 | 0 | 0 | 0 | 112.9 | V2002 I2052 L2160 W2168 L2184 I2189 W2190 I2191 | V2002-L2187 HydrophobicContact CG2-CD2 3.9Å; I2052-L2187 HydrophobicContact CD1-CD1 4.07Å; L2160-L2187 HydrophobicContact CD2-CB 4.31Å; L2160-L2187 HydrophobicContact CD2-CD1 4.07Å; W2168-L2187 HydrophobicContact CH2-CD1 3.82Å; W2168-L2187 HydrophobicContact CH2-CD2 4.18Å; W2168-L2187 HydrophobicContact CZ2-CD1 3.71Å; L2184-L2187 HydrophobicContact CB-CB 4.39Å; L2184-L2187 HydrophobicContact CD2-CD2 4.35Å; L2184-L2187 WeakPolarHBondContact O-CB 3.31Å; L2184-L2187 PolarHBondContact O-N 3.46Å; L2187-I2189 PolarHBondContact O-N 2.98Å; L2187-W2190 HydrophobicContact CD1-CE3 4.03Å; L2187-W2190 HydrophobicContact CD1-CZ3 4.35Å; L2187-W2190 PolarHBondContact O-N 3.34Å; L2187-I2191 HydrophobicContact CD1-CD1 4.19Å; L2187-I2191 HydrophobicContact CD1-CG1 4.32Å; L2187-I2191 HydrophobicContact CD2-CD1 4.49Å; L2187-I2191 HydrophobicContact CG-CD1 3.87Å; L2187-I2191 HydrophobicContact CG-CG1 4.42Å; L2187-I2191 VanDerWaalsContact O-CG1 3.28Å; L2187-I2191 WeakPolarHBondContact O-CG1 3.37Å; L2187-I2191 PolarHBondContact O-N 2.99Å |
| 2188 | P | 55.4 | Low | 58.9 | Low | 20 Ų | 20 | 59.3 Ų | 59.3 | 13% | 0.13 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.8 | -38.8 | 179.7 | -22.9 | 35.5 | 0 | 0 | 0 | 113.7 | L2000 L2186 W2190 M2192 L2240 | L2000-P2188 HydrophobicContact CD1-CG 4.33Å; L2186-P2188 VanDerWaalsContact C-CD 3.49Å; P2188-W2190 VanDerWaalsContact C-N 3.33Å; P2188-M2192 WeakPolarHBondContact O-CG 3.16Å; P2188-M2192 PolarHBondContact O-N 3.28Å; P2188-M2192 VanDerWaalsContact O-N 3.1Å; P2188-L2240 HydrophobicContact CB-CD1 3.69Å; P2188-L2240 HydrophobicContact CB-CD2 3.68Å; P2188-L2240 HydrophobicContact CB-CG 4.22Å; P2188-L2240 HydrophobicContact CG-CB 4.39Å; P2188-L2240 HydrophobicContact CG-CD1 4.2Å; P2188-L2240 HydrophobicContact CG-CD2 3.84Å; P2188-L2240 HydrophobicContact CG-CG 4.36Å |
| 2189 | I | 59.7 | Low | 58.5 | Low | 84 Ų | 84 | 64.7 Ų | 64.7 | 43% | 0.431 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -72.1 | -35.2 | 178.8 | -41.4 | -179 | 0 | 0 | 0 | 109.8 | V2155 L2186 L2187 M2192 N2193 | V2155-I2189 HydrophobicContact CG2-CB 4.1Å; V2155-I2189 HydrophobicContact CG2-CG2 3.62Å; L2186-I2189 HydrophobicContact CD2-CD1 4.15Å; L2186-I2189 PolarHBondContact O-N 3.29Å; L2186-I2189 VanDerWaalsContact O-N 3.16Å; L2187-I2189 PolarHBondContact O-N 2.98Å; I2189-M2192 PolarHBondContact O-N 2.82Å; I2189-N2193 PolarHBondContact O-N 2.82Å |
| 2190 | W | 71.4 | Confident | 58.3 | Low | 11 Ų | 11 | 65.7 Ų | 65.7 | 4% | 0.042 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69 | -41 | 175.5 | -176 | 86.4 | 0 | 0 | 0 | 112.4 | M2122 M2124 V2155 L2160 H2161 T2164 L2186 L2187 P2188 N2193 Y2194 | M2122-W2190 HydrophobicContact CE-CE3 4.4Å; M2122-W2190 HydrophobicContact CE-CH2 3.29Å; M2122-W2190 HydrophobicContact CE-CZ2 4.29Å; M2122-W2190 HydrophobicContact CE-CZ3 3.35Å; M2122-W2190 HydrophobicContact SD-CH2 4.38Å; M2122-W2190 HydrophobicContact SD-CZ3 3.84Å; M2124-W2190 HydrophobicContact CE-CH2 3.99Å; M2124-W2190 HydrophobicContact CE-CZ3 4.05Å; M2124-W2190 HydrophobicContact SD-CH2 3.63Å; M2124-W2190 HydrophobicContact SD-CZ3 4.27Å; V2155-W2190 HydrophobicContact CG1-CB 4.29Å; L2160-W2190 HydrophobicContact CD2-CB 3.84Å; L2160-W2190 HydrophobicContact CD2-CD2 3.9Å; L2160-W2190 HydrophobicContact CD2-CE3 4.18Å; L2160-W2190 HydrophobicContact CD2-CG 3.76Å; L2160-W2190 HydrophobicContact CG-CD2 3.9Å; L2160-W2190 HydrophobicContact CG-CE3 4.36Å; L2160-W2190 HydrophobicContact CG-CG 4Å; L2160-W2190 PolarHBondContact O-NE1 2.85Å; H2161-W2190 AromaticContact CG-NE1 3.96Å; H2161-W2190 AromaticContact ND1-CD1 3.73Å; H2161-W2190 AromaticContact ND1-NE1 3.51Å; T2164-W2190 HydrophobicContact CG2-CH2 3.87Å; T2164-W2190 HydrophobicContact CG2-CZ2 3.67Å; L2186-W2190 WeakPolarHBondContact O-CB 3.43Å; L2186-W2190 PolarHBondContact O-N 2.83Å; L2187-W2190 HydrophobicContact CD1-CE3 4.03Å; L2187-W2190 HydrophobicContact CD1-CZ3 4.35Å; L2187-W2190 PolarHBondContact O-N 3.34Å; P2188-W2190 VanDerWaalsContact C-N 3.33Å; W2190-N2193 PolarHBondContact O-N 2.69Å; W2190-Y2194 WeakPolarHBondContact O-CB 3.44Å; W2190-Y2194 PolarHBondContact O-N 3.43Å |
| 2191 | I | 63.6 | Low | 58 | Low | 11 Ų | 11 | 65.6 Ų | 65.6 | 6% | 0.056 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.3 | -46.1 | 171.8 | -69.1 | 163.1 | 0 | 0 | 0 | 110.7 | L2000 I2052 M2122 L2187 N2193 Y2194 Q2195 | L2000-I2191 HydrophobicContact CD1-CD1 4.44Å; L2000-I2191 HydrophobicContact CD2-CD1 4.49Å; I2052-I2191 HydrophobicContact CD1-CD1 3.98Å; I2052-I2191 HydrophobicContact CD1-CG1 4.34Å; I2052-I2191 HydrophobicContact CG2-CD1 4.04Å; M2122-I2191 HydrophobicContact SD-CG1 4.49Å; L2187-I2191 HydrophobicContact CD1-CD1 4.19Å; L2187-I2191 HydrophobicContact CD1-CG1 4.32Å; L2187-I2191 HydrophobicContact CD2-CD1 4.49Å; L2187-I2191 HydrophobicContact CG-CD1 3.87Å; L2187-I2191 HydrophobicContact CG-CG1 4.42Å; L2187-I2191 VanDerWaalsContact O-CG1 3.28Å; L2187-I2191 WeakPolarHBondContact O-CG1 3.37Å; L2187-I2191 PolarHBondContact O-N 2.99Å; I2191-N2193 PolarHBondContact O-N 2.87Å; I2191-Y2194 PolarHBondContact O-N 3.46Å; I2191-Q2195 HydrophobicContact CG2-CG 4.43Å; I2191-Q2195 WeakPolarHBondContact O-CB 3.25Å; I2191-Q2195 WeakPolarHBondContact O-CG 3.29Å; I2191-Q2195 PolarHBondContact O-N 2.92Å |
| 2192 | M | 53.1 | Low | 57 | Low | 93 Ų | 93 | 72.7 Ų | 72.7 | 46% | 0.458 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -55.7 | -48.1 | 174.7 | -79.9 | -96 | -178 | 0 | 0 | 111.7 | P2188 I2189 L2196 F2236 | P2188-M2192 WeakPolarHBondContact O-CG 3.16Å; P2188-M2192 PolarHBondContact O-N 3.28Å; P2188-M2192 VanDerWaalsContact O-N 3.1Å; I2189-M2192 PolarHBondContact O-N 2.82Å; M2192-L2196 WeakPolarHBondContact O-CB 3.45Å; M2192-L2196 WeakPolarHBondContact O-CG 3.38Å; M2192-L2196 PolarHBondContact O-N 3.32Å; M2192-F2236 HydrophobicContact CE-CD1 4.24Å; M2192-F2236 HydrophobicContact CE-CD2 4.39Å; M2192-F2236 HydrophobicContact CE-CE1 4.22Å; M2192-F2236 HydrophobicContact CE-CE2 4.37Å; M2192-F2236 HydrophobicContact CE-CG 4.33Å; M2192-F2236 HydrophobicContact CE-CZ 4.28Å |
| 2193 | N | 59.9 | Low | 55.7 | Low | 54 Ų | 54 | 75.3 Ų | 75.3 | 29% | 0.289 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.8 | -41 | 178.1 | -78.4 | 0.7 | 0 | 0 | 0 | 112.5 | I2189 W2190 I2191 L2196 E2197 | I2189-N2193 PolarHBondContact O-N 2.82Å; W2190-N2193 PolarHBondContact O-N 2.69Å; I2191-N2193 PolarHBondContact O-N 2.87Å; N2193-L2196 WeakPolarHBondContact O-CB 3.23Å; N2193-L2196 PolarHBondContact O-N 3.48Å; N2193-E2197 PolarHBondContact O-N 2.91Å |
| 2194 | Y | 65 | Low | 53.7 | Low | 75 Ų | 75 | 78.7 Ų | 78.7 | 29% | 0.294 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 177.1 | -177.4 | -93.8 | 0 | 0 | 0 | 111.6 | M2122 W2190 I2191 L2196 E2197 Q2198 | M2122-Y2194 HydrophobicContact CE-CD1 3.39Å; M2122-Y2194 HydrophobicContact CE-CD2 3.61Å; M2122-Y2194 HydrophobicContact CE-CE1 3.4Å; M2122-Y2194 VanDerWaalsContact CE-CE1 3.4Å; M2122-Y2194 HydrophobicContact CE-CE2 3.62Å; M2122-Y2194 HydrophobicContact CE-CG 3.49Å; M2122-Y2194 VanDerWaalsContact CE-CG 3.49Å; M2122-Y2194 HydrophobicContact CG-CD1 4.36Å; M2122-Y2194 HydrophobicContact CG-CE1 4.12Å; M2122-Y2194 HydrophobicContact SD-CD1 3.47Å; M2122-Y2194 WeakPolarHBondContact SD-CD1 3.47Å; M2122-Y2194 HydrophobicContact SD-CE1 3.77Å; M2122-Y2194 HydrophobicContact SD-CG 3.95Å; W2190-Y2194 WeakPolarHBondContact O-CB 3.44Å; W2190-Y2194 PolarHBondContact O-N 3.43Å; I2191-Y2194 PolarHBondContact O-N 3.46Å; Y2194-L2196 VanDerWaalsContact C-N 3.31Å; Y2194-L2196 PolarHBondContact O-N 3.29Å; Y2194-E2197 PolarHBondContact O-N 2.98Å; Y2194-Q2198 HydrophobicContact CD1-CG 4.06Å; Y2194-Q2198 HydrophobicContact CE1-CG 3.72Å; Y2194-Q2198 HydrophobicContact CE2-CG 4.43Å; Y2194-Q2198 VanDerWaalsContact CZ-NE2 3.29Å; Y2194-Q2198 WeakPolarHBondContact O-CG 3.29Å; Y2194-Q2198 PolarHBondContact O-N 2.93Å; Y2194-Q2198 PolarHBondContact OH-NE2 3.31Å |
| 2195 | Q | 53.4 | Low | 51.6 | Low | 54 Ų | 54 | 85 Ų | 85 | 25% | 0.252 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.8 | -32.8 | 175.6 | -70.8 | -173.1 | -4.4 | 0 | 0 | 112.5 | L2121 I2191 R2199 | L2121-Q2195 PolarHBondContact O-NE2 2.85Å; I2191-Q2195 HydrophobicContact CG2-CG 4.43Å; I2191-Q2195 WeakPolarHBondContact O-CB 3.25Å; I2191-Q2195 WeakPolarHBondContact O-CG 3.29Å; I2191-Q2195 PolarHBondContact O-N 2.92Å; Q2195-R2199 WeakPolarHBondContact O-CB 3.42Å; Q2195-R2199 WeakPolarHBondContact O-CD 3.42Å; Q2195-R2199 WeakPolarHBondContact O-CG 3.24Å; Q2195-R2199 PolarHBondContact O-N 2.9Å; Q2195-R2199 VanDerWaalsContact O-N 3.09Å |
| 2196 | L | 48.5 | Very low | 50 | Low | 92 Ų | 92 | 84.9 Ų | 84.9 | 48% | 0.482 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67.1 | -47.1 | 170.9 | -77.5 | 166.2 | 0 | 0 | 0 | 111.7 | M2192 N2193 Y2194 Q2198 R2199 I2200 | M2192-L2196 WeakPolarHBondContact O-CB 3.45Å; M2192-L2196 WeakPolarHBondContact O-CG 3.38Å; M2192-L2196 PolarHBondContact O-N 3.32Å; N2193-L2196 WeakPolarHBondContact O-CB 3.23Å; N2193-L2196 PolarHBondContact O-N 3.48Å; Y2194-L2196 VanDerWaalsContact C-N 3.31Å; Y2194-L2196 PolarHBondContact O-N 3.29Å; L2196-Q2198 PolarHBondContact O-N 3.24Å; L2196-R2199 PolarHBondContact O-N 2.85Å; L2196-I2200 VanDerWaalsContact O-CG1 3.28Å; L2196-I2200 WeakPolarHBondContact O-CG1 3.44Å; L2196-I2200 PolarHBondContact O-N 2.52Å |
| 2197 | E | 54.7 | Low | 48.2 | Very low | 69 Ų | 69 | 91.4 Ų | 91.4 | 32% | 0.322 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 177 | -80.4 | -173.7 | -145.2 | 0 | 0 | 112.7 | H2161 N2193 Y2194 I2200 K2201 | H2161-E2197 IonicContact CE1-OE1 3.75Å; N2193-E2197 PolarHBondContact O-N 2.91Å; Y2194-E2197 PolarHBondContact O-N 2.98Å; E2197-I2200 PolarHBondContact O-N 3.47Å; E2197-K2201 WeakPolarHBondContact O-CB 3.3Å; E2197-K2201 WeakPolarHBondContact O-CG 3.46Å; E2197-K2201 PolarHBondContact O-N 3.33Å; E2197-K2201 IonicContact OE2-NZ 2.99Å; E2197-K2201 PolarHBondContact OE2-NZ 2.97Å |
| 2198 | Q | 48.7 | Very low | 46.2 | Very low | 64 Ų | 64 | 100 Ų | 100 | 30% | 0.299 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66 | -39.2 | 176.3 | -66.2 | -65 | 10.7 | 0 | 0 | 111.3 | Y2194 L2196 I2200 K2201 F2202 | Y2194-Q2198 HydrophobicContact CD1-CG 4.06Å; Y2194-Q2198 HydrophobicContact CE1-CG 3.72Å; Y2194-Q2198 HydrophobicContact CE2-CG 4.43Å; Y2194-Q2198 VanDerWaalsContact CZ-NE2 3.29Å; Y2194-Q2198 WeakPolarHBondContact O-CG 3.29Å; Y2194-Q2198 PolarHBondContact O-N 2.93Å; Y2194-Q2198 PolarHBondContact OH-NE2 3.31Å; L2196-Q2198 PolarHBondContact O-N 3.24Å; Q2198-I2200 VanDerWaalsContact C-N 3.27Å; Q2198-I2200 PolarHBondContact O-N 2.88Å; Q2198-K2201 PolarHBondContact O-N 3.43Å; Q2198-F2202 WeakPolarHBondContact O-CB 3.37Å; Q2198-F2202 WeakPolarHBondContact O-CD2 3.28Å; Q2198-F2202 PolarHBondContact O-N 2.96Å |
| 2199 | R | 43.9 | Very low | 45 | Very low | 169 Ų | 169 | 105.3 Ų | 105.3 | 64% | 0.638 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.5 | -26.4 | 172 | -75.9 | 170.9 | 175.5 | 156.3 | 1.4 | 113.6 | Q2195 L2196 | Q2195-R2199 WeakPolarHBondContact O-CB 3.42Å; Q2195-R2199 WeakPolarHBondContact O-CD 3.42Å; Q2195-R2199 WeakPolarHBondContact O-CG 3.24Å; Q2195-R2199 PolarHBondContact O-N 2.9Å; Q2195-R2199 VanDerWaalsContact O-N 3.09Å; L2196-R2199 PolarHBondContact O-N 2.85Å |
| 2200 | I | 45.1 | Very low | 43.7 | Very low | 106 Ų | 106 | 107.4 Ų | 107.4 | 54% | 0.544 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -77.4 | -45.8 | 173.2 | -70.4 | 162.8 | 0 | 0 | 0 | 110.2 | L2196 E2197 Q2198 F2202 K2203 T2204 | L2196-I2200 VanDerWaalsContact O-CG1 3.28Å; L2196-I2200 WeakPolarHBondContact O-CG1 3.44Å; L2196-I2200 PolarHBondContact O-N 2.52Å; E2197-I2200 PolarHBondContact O-N 3.47Å; Q2198-I2200 VanDerWaalsContact C-N 3.27Å; Q2198-I2200 PolarHBondContact O-N 2.88Å; I2200-F2202 VanDerWaalsContact C-N 3.32Å; I2200-F2202 PolarHBondContact O-N 3.24Å; I2200-K2203 WeakPolarHBondContact O-CA 3.34Å; I2200-K2203 PolarHBondContact O-N 3.3Å; I2200-T2204 PolarHBondContact O-N 3.49Å; I2200-T2204 PolarHBondContact O-OG1 2.74Å |
| 2201 | K | 39.5 | Very low | 41.6 | Very low | 111 Ų | 111 | 114.3 Ų | 114.3 | 48% | 0.483 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -58.4 | -42 | 175.7 | -73.3 | 158.9 | 178.2 | 156.4 | 0 | 111.5 | E2197 Q2198 K2203 T2204 | E2197-K2201 WeakPolarHBondContact O-CB 3.3Å; E2197-K2201 WeakPolarHBondContact O-CG 3.46Å; E2197-K2201 PolarHBondContact O-N 3.33Å; E2197-K2201 IonicContact OE2-NZ 2.99Å; E2197-K2201 PolarHBondContact OE2-NZ 2.97Å; Q2198-K2201 PolarHBondContact O-N 3.43Å; K2201-K2203 PolarHBondContact O-N 3.41Å; K2201-T2204 PolarHBondContact O-N 2.95Å |
| 2202 | F | 38.3 | Very low | 40 | Very low | 186 Ų | 186 | 123.3 Ų | 123.3 | 82% | 0.816 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -6.4 | 171.9 | -94.1 | -83.5 | 0 | 0 | 0 | 115.3 | Q2198 I2200 | Q2198-F2202 WeakPolarHBondContact O-CB 3.37Å; Q2198-F2202 WeakPolarHBondContact O-CD2 3.28Å; Q2198-F2202 PolarHBondContact O-N 2.96Å; I2200-F2202 VanDerWaalsContact C-N 3.32Å; I2200-F2202 PolarHBondContact O-N 3.24Å |
| 2203 | K | 34.2 | Very low | 38.8 | Very low | 188 Ų | 188 | 126.1 Ų | 126.1 | 82% | 0.817 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | 1.1 | 174.4 | -86.6 | -171.1 | 170.5 | -174.1 | 0 | 114.4 | I2200 K2201 | I2200-K2203 WeakPolarHBondContact O-CA 3.34Å; I2200-K2203 PolarHBondContact O-N 3.3Å; K2201-K2203 PolarHBondContact O-N 3.41Å |
| 2204 | T | 27.1 | Very low | 37.4 | Very low | 96 Ų | 96 | 132.2 Ų | 132.2 | 59% | 0.589 | 65% | 0.648 | S | S | * | * | trans | -129.6 | 78.6 | -179.3 | 57.1 | 0 | 0 | 0 | 0 | 111.8 | I2200 K2201 | I2200-T2204 PolarHBondContact O-N 3.49Å; I2200-T2204 PolarHBondContact O-OG1 2.74Å; K2201-T2204 PolarHBondContact O-N 2.95Å | ||
| 2205 | N | 26.6 | Very low | 35.7 | Very low | 151 Ų | 151 | 136.4 Ų | 136.4 | 81% | 0.807 | 67% | 0.67 | S | S | * | * | trans | -134.4 | 101 | 163.9 | -146.2 | 5.4 | 0 | 0 | 0 | 109 | ||||
| 2206 | P | 29.1 | Very low | 34.4 | Very low | 119 Ų | 119 | 138.9 Ų | 138.9 | 77% | 0.773 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 118.7 | -170.4 | 32.4 | -32.1 | 0 | 0 | 0 | 112 | ||
| 2207 | L | 26.2 | Very low | 33.5 | Very low | 167 Ų | 167 | 139.9 Ų | 139.9 | 87% | 0.874 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -88 | 146.9 | 162.9 | -90 | 83.6 | 0 | 0 | 0 | 111.3 | ||
| 2208 | H | 27.7 | Very low | 32.2 | Very low | 180 Ų | 180 | 145 Ų | 145 | 83% | 0.833 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 136.1 | 178.9 | -90.4 | -131.1 | 0 | 0 | 0 | 113.3 | ||
| 2209 | T | 30.5 | Very low | 31.2 | Very low | 131 Ų | 131 | 150.6 Ų | 150.6 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | -160 | 124.5 | 113.2 | 26.2 | 0 | 0 | 0 | 0 | 112 | |||||
| 2210 | T | 30.3 | Very low | 30.3 | Very low | 128 Ų | 128 | 148.5 Ų | 148.5 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | 8.1 | 136 | 150.1 | 50.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 2211 | H | 27.5 | Very low | 29.4 | Very low | 157 Ų | 157 | 151.1 Ų | 151.1 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -51.5 | 147.4 | 171.7 | -68.4 | -89.5 | 0 | 0 | 0 | 116.1 | ||||
| 2212 | H | 30.3 | Very low | 28.8 | Very low | 199 Ų | 199 | 150.9 Ų | 150.9 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | -142.6 | 141.2 | 122.1 | -109.6 | -79.2 | 0 | 0 | 0 | 110.3 | |||||
| 2213 | H | 27.6 | Very low | 28 | Very low | 152 Ų | 152 | 149 Ų | 149 | 70% | 0.704 | 79% | 0.791 | S | S | * | * | trans | -121.6 | 135.1 | -178 | -101.6 | -47.8 | 0 | 0 | 0 | 111 | ||||
| 2214 | H | 30.7 | Very low | 27.6 | Very low | 182 Ų | 182 | 145.9 Ų | 145.9 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | -172.4 | 139.8 | 140.7 | -88.3 | -68.8 | 0 | 0 | 0 | 105 | ||||
| 2215 | H | 30.2 | Very low | 27.5 | Very low | 163 Ų | 163 | 148.3 Ų | 148.3 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | S | Bend | cis | -137.5 | 161.7 | 25.2 | -125.1 | -88.7 | 0 | 0 | 0 | 112.6 | ||
| 2216 | C | 26.8 | Very low | 27.6 | Very low | 107 Ų | 107 | 151.2 Ų | 151.2 | 72% | 0.723 | 80% | 0.799 | S | S | * | * | trans | 10.6 | 144.7 | 164.8 | -61.8 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 2217 | S | 29.3 | Very low | 27.4 | Very low | 112 Ų | 112 | 153.7 Ų | 153.7 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | cis | -171 | 160.8 | -14.8 | 45.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 2218 | Q | 27 | Very low | 27.5 | Very low | 176 Ų | 176 | 153.9 Ų | 153.9 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | -61.2 | 169.8 | -178.9 | -66.2 | 165 | -0.5 | 0 | 0 | 113.4 | ||||
| 2219 | Q | 27.8 | Very low | 27.4 | Very low | 182 Ų | 182 | 153 Ų | 153 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | cis | -161.8 | 173.4 | 43.1 | -150.6 | 168 | 28.4 | 0 | 0 | 113.7 | ||||
| 2220 | C | 25.1 | Very low | 27.2 | Very low | 125 Ų | 125 | 151.3 Ų | 151.3 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | -95.2 | 147.7 | -165.1 | -48.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 2221 | N | 25.1 | Very low | 27 | Very low | 161 Ų | 161 | 152.2 Ų | 152.2 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | -158.9 | 167.3 | 134.5 | -147.5 | -16 | 0 | 0 | 0 | 112 | ||||
| 2222 | C | 26.8 | Very low | 27.1 | Very low | 106 Ų | 106 | 150.6 Ų | 150.6 | 72% | 0.716 | 78% | 0.782 | S | S | * | * | trans | -98.1 | 131.6 | -169.9 | -52.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 2223 | N | 23.4 | Very low | 26.9 | Very low | 146 Ų | 146 | 144.1 Ų | 144.1 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | 178.7 | 155.7 | 127 | -104.2 | -34.2 | 0 | 0 | 0 | 115.9 | |||||
| 2224 | N | 24.6 | Very low | 27 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 66% | 0.663 | 76% | 0.756 | S | S | * | * | trans | 62.1 | 115.5 | 152.4 | -67.6 | -25.3 | 0 | 0 | 0 | 121.9 | ||||
| 2225 | N | 24.8 | Very low | 27.1 | Very low | 147 Ų | 147 | 139.3 Ų | 139.3 | 79% | 0.786 | 74% | 0.742 | S | S | * | * | trans | 56.2 | 112.2 | 130 | -58.8 | -19.8 | 0 | 0 | 0 | 120.4 | ||||
| 2226 | K | 30 | Very low | 27.1 | Very low | 212 Ų | 212 | 135 Ų | 135 | 92% | 0.922 | 72% | 0.722 | S | S | * | * | -148 | 146 | 129.4 | -116.3 | 162.9 | -172.2 | 173.4 | 0 | 112.1 | |||||
| 2227 | Q | 24.6 | Very low | 27.3 | Very low | 171 Ų | 171 | 131.7 Ų | 131.7 | 80% | 0.799 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 151 | -175.1 | -61.7 | 145.6 | -62.4 | 0 | 0 | 111.4 | ||
| 2228 | I | 27.5 | Very low | 27.3 | Very low | 171 Ų | 171 | 132 Ų | 132 | 88% | 0.877 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -103.9 | 132.8 | 152.1 | -63.6 | -179.9 | 0 | 0 | 0 | 106.9 | S2230 | I2228-S2230 PolarHBondContact O-N 3.21Š|
| 2229 | H | 26.1 | Very low | 27.6 | Very low | 161 Ų | 161 | 124.7 Ų | 124.7 | 75% | 0.745 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 124.8 | -167 | -92.7 | -99.2 | 0 | 0 | 0 | 113.8 | N2231 | H2229-N2231 PolarHBondContact O-N 3.41Š|
| 2230 | S | 25.3 | Very low | 27.8 | Very low | 95 Ų | 95 | 119.1 Ų | 119.1 | 66% | 0.664 | 64% | 0.636 | S | S | * | * | trans | -75.5 | 99.9 | 169.3 | 54.5 | 0 | 0 | 0 | 0 | 111.2 | I2228 | I2228-S2230 PolarHBondContact O-N 3.21Š| ||
| 2231 | N | 26.2 | Very low | 28.4 | Very low | 148 Ų | 148 | 120.4 Ų | 120.4 | 79% | 0.791 | 63% | 0.625 | S | S | * | * | trans | -135.4 | 7.1 | 170.8 | -102.3 | -1.6 | 0 | 0 | 0 | 114.3 | H2229 | H2229-N2231 PolarHBondContact O-N 3.41Š| ||
| 2232 | H | 29.5 | Very low | 29 | Very low | 122 Ų | 122 | 117.6 Ų | 117.6 | 57% | 0.565 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -106 | 0.3 | 175.8 | -86.6 | -93.6 | 0 | 0 | 0 | 113.8 | N1992 I2234 | N1992-H2232 PolarHBondContact ND2-CE1 3.37Å; H2232-I2234 PolarHBondContact O-N 2.84Å |
| 2233 | S | 27.7 | Very low | 29.6 | Very low | 64 Ų | 64 | 114.2 Ų | 114.2 | 45% | 0.448 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -91.1 | 28.9 | -168.9 | 55.2 | 0 | 0 | 0 | 0 | 115.1 | R2264 | S2233-R2264 PolarHBondContact O-NH2 2.87Š|
| 2234 | I | 29.5 | Very low | 30.4 | Very low | 124 Ų | 124 | 111.5 Ų | 111.5 | 64% | 0.636 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -126.4 | -34.4 | -179.9 | -62.7 | 179.9 | 0 | 0 | 0 | 112 | H2232 F2236 T2237 | H2232-I2234 PolarHBondContact O-N 2.84Å; I2234-F2236 VanDerWaalsContact C-N 3.31Å; I2234-F2236 PolarHBondContact O-N 3.41Å; I2234-T2237 PolarHBondContact O-N 3.06Å; I2234-T2237 PolarHBondContact O-OG1 2.78Å |
| 2235 | I | 31.4 | Very low | 31.3 | Very low | 108 Ų | 108 | 107.8 Ų | 107.8 | 55% | 0.554 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -16.9 | -173 | -62.1 | 174.4 | 0 | 0 | 0 | 113.2 | ||
| 2236 | F | 29.9 | Very low | 31.8 | Very low | 74 Ų | 74 | 102.3 Ų | 102.3 | 33% | 0.325 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -2.8 | 177.6 | -97.2 | -82.9 | 0 | 0 | 0 | 114.7 | M2192 I2234 L2240 | M2192-F2236 HydrophobicContact CE-CD1 4.24Å; M2192-F2236 HydrophobicContact CE-CD2 4.39Å; M2192-F2236 HydrophobicContact CE-CE1 4.22Å; M2192-F2236 HydrophobicContact CE-CE2 4.37Å; M2192-F2236 HydrophobicContact CE-CG 4.33Å; M2192-F2236 HydrophobicContact CE-CZ 4.28Å; I2234-F2236 VanDerWaalsContact C-N 3.31Å; I2234-F2236 PolarHBondContact O-N 3.41Å; F2236-L2240 VanDerWaalsContact O-CD1 3.32Å; F2236-L2240 WeakPolarHBondContact O-CD1 3.47Å; F2236-L2240 WeakPolarHBondContact O-CG 3.49Å |
| 2237 | T | 31.2 | Very low | 32 | Very low | 37 Ų | 37 | 94.1 Ų | 94.1 | 23% | 0.227 | 49% | 0.486 | C | S | . | . | S | Bend | trans | -79.6 | -33.6 | -166.4 | -14.6 | 0 | 0 | 0 | 0 | 114.4 | I2234 R2264 | I2234-T2237 PolarHBondContact O-N 3.06Å; I2234-T2237 PolarHBondContact O-OG1 2.78Å; T2237-R2264 HydrophobicContact CG2-CG 4.36Å |
| 2238 | D | 30.1 | Very low | 32.4 | Very low | 117 Ų | 117 | 91.5 Ų | 91.5 | 63% | 0.626 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -84.2 | -20.2 | -174.4 | -60.5 | -36.7 | 0 | 0 | 0 | 113 | L2240 | D2238-L2240 VanDerWaalsContact C-N 3.29Å; D2238-L2240 PolarHBondContact O-N 3.49Å |
| 2239 | A | 32.3 | Very low | 32.5 | Very low | 24 Ų | 24 | 87 Ų | 87 | 20% | 0.198 | 46% | 0.455 | C | S | . | . | G | 310 helix | trans | -82.5 | 3 | 179 | 0 | 0 | 0 | 0 | 0 | 114.6 | I1997 | I1997-A2239 VanDerWaalsContact O-CB 3.29Å; I1997-A2239 WeakPolarHBondContact O-CB 3.34Å |
| 2240 | L | 32.8 | Very low | 32.4 | Very low | 64 Ų | 64 | 85 Ų | 85 | 34% | 0.335 | 46% | 0.457 | S | S | . | . | G | 310 helix | trans | -111 | 7.2 | -172.1 | -65.3 | 178.3 | 0 | 0 | 0 | 114.3 | L2000 P2188 F2236 D2238 | L2000-L2240 HydrophobicContact CD1-CD2 3.94Å; P2188-L2240 HydrophobicContact CB-CD1 3.69Å; P2188-L2240 HydrophobicContact CB-CD2 3.68Å; P2188-L2240 HydrophobicContact CB-CG 4.22Å; P2188-L2240 HydrophobicContact CG-CB 4.39Å; P2188-L2240 HydrophobicContact CG-CD1 4.2Å; P2188-L2240 HydrophobicContact CG-CD2 3.84Å; P2188-L2240 HydrophobicContact CG-CG 4.36Å; F2236-L2240 VanDerWaalsContact O-CD1 3.32Å; F2236-L2240 WeakPolarHBondContact O-CD1 3.47Å; F2236-L2240 WeakPolarHBondContact O-CG 3.49Å; D2238-L2240 VanDerWaalsContact C-N 3.29Å; D2238-L2240 PolarHBondContact O-N 3.49Å |
| 2241 | Y | 37.4 | Very low | 32.4 | Very low | 152 Ų | 152 | 83.7 Ų | 83.7 | 60% | 0.596 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -88.2 | -0.3 | 179.3 | -83.4 | -80.2 | 0 | 0 | 0 | 114.7 | ||
| 2242 | Q | 38.5 | Very low | 32.3 | Very low | 103 Ų | 103 | 85.8 Ų | 85.8 | 48% | 0.481 | 44% | 0.442 | S | S | . | . | trans | -132.7 | 86.3 | -179.8 | -66.2 | -172.8 | 73.6 | 0 | 0 | 111.3 | H1999 | H1999-Q2242 PolarHBondContact CE1-OE1 2.79Š| ||
| 2243 | V | 39.7 | Very low | 32.1 | Very low | 35 Ų | 35 | 85.4 Ų | 85.4 | 21% | 0.212 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 107.8 | 163.4 | 177.2 | 0 | 0 | 0 | 0 | 107.5 | L2000 V2002 | L2000-V2243 WeakPolarHBondContact O-CA 3.48Å; V2002-V2243 HydrophobicContact CB-CG1 4.41Å; V2002-V2243 HydrophobicContact CG2-CG1 3.77Å |
| 2244 | H | 40.3 | Very low | 31.9 | Very low | 88 Ų | 88 | 87.3 Ų | 87.3 | 41% | 0.407 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 118.3 | 175.8 | -98.8 | -92.8 | 0 | 0 | 0 | 110 | L2000 N2001 V2002 | L2000-H2244 PolarHBondContact O-N 3.36Å; L2000-H2244 VanDerWaalsContact O-N 3.08Å; N2001-H2244 WeakPolarHBondContact CA-O 3.2Å; N2001-H2244 WeakPolarHBondContact OD1-CB 3.49Å; V2002-H2244 PolarHBondContact N-O 3.1Å |
| 2245 | L | 43.2 | Very low | 31.6 | Very low | 47 Ų | 47 | 88.5 Ų | 88.5 | 25% | 0.246 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 140.8 | 163.3 | -71.9 | 167 | 0 | 0 | 0 | 109 | V2002 I2004 Y2175 | V2002-L2245 HydrophobicContact CB-CD2 4.07Å; V2002-L2245 HydrophobicContact CG1-CD2 4.04Å; V2002-L2245 WeakPolarHBondContact O-CA 3.38Å; I2004-L2245 HydrophobicContact CD1-CD2 4.02Å; I2004-L2245 HydrophobicContact CG1-CD2 4.43Å; Y2175-L2245 HydrophobicContact CD2-CB 4.45Å; Y2175-L2245 HydrophobicContact CD2-CD1 3.53Å; Y2175-L2245 HydrophobicContact CE2-CB 4Å; Y2175-L2245 HydrophobicContact CE2-CD1 3.95Å; Y2175-L2245 HydrophobicContact CG-CD1 4.39Å |
| 2246 | S | 34.9 | Very low | 31.2 | Very low | 31 Ų | 31 | 91.6 Ų | 91.6 | 22% | 0.217 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -60 | 158.1 | 175.7 | 53.7 | 0 | 0 | 0 | 0 | 112.3 | V2002 F2003 Y2175 | V2002-S2246 PolarHBondContact O-N 3.22Å; F2003-S2246 VanDerWaalsContact CD1-CB 3.48Å; Y2175-S2246 PolarHBondContact OH-O 2.98Å |
| 2247 | P | 33.8 | Very low | 30.9 | Very low | 41 Ų | 41 | 98.2 Ų | 98.2 | 27% | 0.266 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -106.6 | 0.3 | -136 | 39.6 | -39.3 | 0 | 0 | 0 | 116.8 | P434 L2249 | P434-P2247 HydrophobicContact CB-CB 3.37Å; P434-P2247 HydrophobicContact CB-CG 3.41Å; P434-P2247 VanDerWaalsContact CB-CG 3.41Å; P434-P2247 HydrophobicContact CG-CB 3.1Å; P434-P2247 HydrophobicContact CG-CG 3.47Å; P434-P2247 VanDerWaalsContact CG-CG 3.47Å; P2247-L2249 PolarHBondContact O-N 3.42Å |
| 2248 | N | 33.7 | Very low | 30.5 | Very low | 116 Ų | 116 | 102.7 Ų | 102.7 | 62% | 0.62 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -72.6 | -3.7 | -167.7 | -62.8 | 36.2 | 0 | 0 | 0 | 113.1 | ||
| 2249 | L | 28.3 | Very low | 30.2 | Very low | 76 Ų | 76 | 101.5 Ų | 101.5 | 40% | 0.398 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -128 | 132.8 | 162 | -110.3 | 69.7 | 0 | 0 | 0 | 109.5 | Y2175 R2176 P2247 V2251 | Y2175-L2249 HydrophobicContact CD1-CD2 4.38Å; Y2175-L2249 HydrophobicContact CE1-CB 3.63Å; Y2175-L2249 HydrophobicContact CE1-CD2 4.06Å; Y2175-L2249 HydrophobicContact CE1-CG 4.47Å; Y2175-L2249 WeakPolarHBondContact OH-CB 3.46Å; Y2175-L2249 PolarHBondContact OH-N 2.98Å; Y2175-L2249 PolarHBondContact OH-O 3.35Å; R2176-L2249 HydrophobicContact CB-CD2 4.37Å; R2176-L2249 HydrophobicContact CG-CD2 4.22Å; P2247-L2249 PolarHBondContact O-N 3.42Å; L2249-V2251 PolarHBondContact O-N 3.17Å |
| 2250 | P | 24.9 | Very low | 29.8 | Very low | 120 Ų | 120 | 106.7 Ų | 106.7 | 78% | 0.779 | 55% | 0.55 | S | S | * | . | trans | -83.2 | 99.6 | -179 | 32.1 | -33.9 | 0 | 0 | 0 | 112.3 | ||||
| 2251 | V | 26.2 | Very low | 29.3 | Very low | 67 Ų | 67 | 112.5 Ų | 112.5 | 41% | 0.406 | 58% | 0.575 | S | S | . | * | trans | -86.5 | 113.1 | 161.8 | 169.9 | 0 | 0 | 0 | 0 | 109.8 | Y2175 L2249 I2253 | Y2175-V2251 HydrophobicContact CD2-CB 4.39Å; Y2175-V2251 HydrophobicContact CD2-CG2 3.41Å; Y2175-V2251 VanDerWaalsContact CD2-CG2 3.41Å; Y2175-V2251 HydrophobicContact CE2-CB 4.3Å; Y2175-V2251 HydrophobicContact CE2-CG2 3.6Å; Y2175-V2251 HydrophobicContact CG-CG2 4.28Å; L2249-V2251 PolarHBondContact O-N 3.17Å; V2251-I2253 PolarHBondContact O-N 3.28Å | ||
| 2252 | Y | 22.4 | Very low | 28.9 | Very low | 191 Ų | 191 | 108.5 Ų | 108.5 | 75% | 0.749 | 57% | 0.567 | S | S | * | * | trans | -67.8 | 98.4 | 161.7 | -99.1 | -87.4 | 0 | 0 | 0 | 109.3 | S2254 | Y2252-S2254 PolarHBondContact O-N 3.49Š| ||
| 2253 | I | 25.4 | Very low | 28.3 | Very low | 114 Ų | 114 | 109.9 Ų | 109.9 | 59% | 0.585 | 58% | 0.583 | S | S | * | * | trans | -58.9 | 120.9 | 156 | -60.9 | 176.7 | 0 | 0 | 0 | 106 | V2251 L2255 | V2251-I2253 PolarHBondContact O-N 3.28Å; I2253-L2255 PolarHBondContact O-N 2.66Å | ||
| 2254 | S | 23.4 | Very low | 27.5 | Very low | 104 Ų | 104 | 114.3 Ų | 114.3 | 73% | 0.727 | 60% | 0.595 | S | S | * | * | trans | -65.9 | 107.6 | -172.9 | 58.2 | 0 | 0 | 0 | 0 | 110.8 | Y2252 R2256 | Y2252-S2254 PolarHBondContact O-N 3.49Å; S2254-R2256 PolarHBondContact O-N 2.79Å | ||
| 2255 | L | 23.9 | Very low | 26.7 | Very low | 150 Ų | 150 | 114.5 Ų | 114.5 | 79% | 0.785 | 61% | 0.607 | S | S | * | * | trans | -58.9 | 93.8 | 171.3 | -84.5 | 165.6 | 0 | 0 | 0 | 110.3 | I2253 W2257 | I2253-L2255 PolarHBondContact O-N 2.66Å; L2255-W2257 PolarHBondContact O-N 3.39Å | ||
| 2256 | R | 23.9 | Very low | 25.8 | Very low | 172 Ų | 172 | 115.4 Ų | 115.4 | 65% | 0.649 | 61% | 0.614 | S | S | * | * | trans | -77.9 | 107.7 | 165.9 | -154 | 175.5 | -167.7 | -166.3 | 2 | 108.3 | S2254 E2444 | S2254-R2256 PolarHBondContact O-N 2.79Å; R2256-E2444 IonicContact CZ-OE1 2.68Å; R2256-E2444 VanDerWaalsContact CZ-OE1 3.24Å; R2256-E2444 IonicContact CZ-OE2 3.67Å; R2256-E2444 IonicContact NH1-OE1 3.48Å; R2256-E2444 PolarHBondContact NH1-OE1 2.79Å; R2256-E2444 IonicContact NH1-OE2 3.24Å; R2256-E2444 PolarHBondContact NH1-OE2 3.37Å; R2256-E2444 IonicContact NH2-OE1 2.91Å; R2256-E2444 PolarHBondContact NH2-OE1 3.28Å; R2256-E2444 IonicContact NH2-OE2 2.74Å | ||
| 2257 | W | 22.5 | Very low | 25.5 | Very low | 214 Ų | 214 | 115.4 Ų | 115.4 | 81% | 0.811 | 61% | 0.611 | S | S | * | * | trans | -59.1 | 142.1 | -175.7 | -101.2 | 17.1 | 0 | 0 | 0 | 113.7 | L2255 | L2255-W2257 PolarHBondContact O-N 3.39Š| ||
| 2258 | N | 22.6 | Very low | 25.2 | Very low | 130 Ų | 130 | 118 Ų | 118 | 70% | 0.695 | 62% | 0.616 | S | S | * | * | trans | 64.5 | 89.8 | 149.5 | -58.8 | -26 | 0 | 0 | 0 | 119.4 | ||||
| 2259 | A | 23.2 | Very low | 25.2 | Very low | 92 Ų | 92 | 115.4 Ų | 115.4 | 76% | 0.76 | 60% | 0.602 | S | S | * | * | 78.6 | 138.2 | 128.7 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 2260 | T | 23.9 | Very low | 26 | Very low | 134 Ų | 134 | 113.3 Ų | 113.3 | 82% | 0.822 | 59% | 0.593 | S | S | * | * | trans | 83.9 | 111.9 | 165.8 | 68 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 2261 | H | 22.9 | Very low | 27.3 | Very low | 185 Ų | 185 | 108.4 Ų | 108.4 | 86% | 0.856 | 56% | 0.561 | S | S | * | * | trans | 65.7 | 127.3 | 160.4 | -91.1 | -75.1 | 0 | 0 | 0 | 121.6 | ||||
| 2262 | P | 30 | Very low | 28.3 | Very low | 68 Ų | 68 | 107.4 Ų | 107.4 | 44% | 0.442 | 55% | 0.55 | S | S | . | . | trans | -99.7 | 133.1 | 173 | 36.2 | -30.7 | 0 | 0 | 0 | 113.7 | ||||
| 2263 | V | 24.7 | Very low | 29.2 | Very low | 132 Ų | 132 | 99.1 Ų | 99.1 | 80% | 0.8 | 52% | 0.518 | S | S | * | . | trans | -145.9 | 106.5 | 160.6 | -177.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 2264 | R | 23.3 | Very low | 30.2 | Very low | 128 Ų | 128 | 97.1 Ų | 97.1 | 48% | 0.483 | 50% | 0.503 | S | S | . | . | trans | 30 | 119.8 | 143.2 | -83.7 | -174.3 | 168.1 | 120.9 | 10.2 | 122.2 | S2233 T2237 | S2233-R2264 PolarHBondContact O-NH2 2.87Å; T2237-R2264 HydrophobicContact CG2-CG 4.36Å | ||
| 2265 | S | 24.2 | Very low | 31.5 | Very low | 92 Ų | 92 | 95.4 Ų | 95.4 | 64% | 0.643 | 48% | 0.481 | S | S | * | . | 31.5 | 93.9 | 121.7 | 67.8 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 2266 | V | 24.1 | Very low | 32.3 | Very low | 66 Ų | 66 | 89.3 Ų | 89.3 | 40% | 0.4 | 45% | 0.451 | S | S | . | . | trans | -160.4 | 160.8 | 158.7 | 126.6 | 0 | 0 | 0 | 0 | 107.8 | C2438 | V2266-C2438 HydrophobicContact CG1-CB 4.31Š| ||
| 2267 | M | 28.5 | Very low | 33.1 | Very low | 32 Ų | 32 | 85.5 Ų | 85.5 | 16% | 0.158 | 44% | 0.444 | C | S | . | . | trans | 64.1 | 121.8 | -176 | -85.1 | -98.6 | -159.1 | 0 | 0 | 116.6 | N2269 C2438 Y2439 A2441 C2442 | M2267-N2269 HydrophobicContact CE-CB 3.88Å; M2267-N2269 WeakPolarHBondContact CG-ND2 3.28Å; M2267-N2269 VanDerWaalsContact SD-CA 3.55Å; M2267-N2269 HydrophobicContact SD-CB 3.39Å; M2267-N2269 WeakPolarHBondContact SD-CB 3.28Å; M2267-N2269 PolarHBondContact SD-N 3.37Å; M2267-N2269 PolarHBondContact SD-ND2 3.03Å; M2267-C2438 HydrophobicContact CE-CB 3.75Å; M2267-C2438 WeakPolarHBondContact CE-O 3.23Å; M2267-C2438 VanDerWaalsContact CG-CA 3.42Å; M2267-C2438 HydrophobicContact CG-CB 3.57Å; M2267-C2438 WeakPolarHBondContact CG-O 3.42Å; M2267-C2438 HydrophobicContact SD-CB 4.19Å; M2267-Y2439 HydrophobicContact CE-CD1 4.22Å; M2267-A2441 HydrophobicContact CB-CB 3.67Å; M2267-A2441 HydrophobicContact CG-CB 3.72Å; M2267-A2441 HydrophobicContact SD-CB 4.29Å; M2267-C2442 VanDerWaalsContact CE-SG 3.59Å | ||
| 2268 | R | 27.2 | Very low | 33.9 | Very low | 95 Ų | 95 | 81 Ų | 81 | 36% | 0.358 | 43% | 0.43 | S | S | . | . | cis | 81.8 | 2 | -22.1 | -124.9 | -168.4 | -178.6 | 169 | -5.8 | 124 | H2151 C2152 Q2153 S2154 | H2151-R2268 WeakPolarHBondContact O-CG 3.48Å; H2151-R2268 PolarHBondContact O-NE 3.08Å; C2152-R2268 PolarHBondContact SG-NH2 3.38Å; Q2153-R2268 HydrophobicContact CG-CB 4.26Å; Q2153-R2268 HydrophobicContact CG-CG 4.07Å; S2154-R2268 PolarHBondContact OG-NH2 3.27Å | ||
| 2269 | N | 33.7 | Very low | 34.5 | Very low | 62 Ų | 62 | 83 Ų | 83 | 33% | 0.332 | 43% | 0.428 | S | S | . | . | trans | -142.1 | 119.9 | 167 | -35.6 | -103.8 | 0 | 0 | 0 | 112.2 | M2267 | M2267-N2269 HydrophobicContact CE-CB 3.88Å; M2267-N2269 WeakPolarHBondContact CG-ND2 3.28Å; M2267-N2269 VanDerWaalsContact SD-CA 3.55Å; M2267-N2269 HydrophobicContact SD-CB 3.39Å; M2267-N2269 WeakPolarHBondContact SD-CB 3.28Å; M2267-N2269 PolarHBondContact SD-N 3.37Å; M2267-N2269 PolarHBondContact SD-ND2 3.03Å | ||
| 2270 | S | 45.8 | Very low | 35.1 | Very low | 31 Ų | 31 | 84.5 Ų | 84.5 | 22% | 0.217 | 42% | 0.423 | C | S | . | . | trans | -86.6 | 155.2 | 152.6 | 59.9 | 0 | 0 | 0 | 0 | 109 | Y2272 K2273 Y2274 | S2270-Y2272 PolarHBondContact O-N 3.34Å; S2270-Y2272 VanDerWaalsContact O-N 3.13Å; S2270-K2273 PolarHBondContact O-N 2.99Å; S2270-K2273 PolarHBondContact OG-N 2.84Å; S2270-Y2274 PolarHBondContact O-N 3.14Å | ||
| 2271 | L | 50.5 | Low | 35.5 | Very low | 18 Ų | 18 | 81.6 Ų | 81.6 | 9% | 0.094 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -50 | -37.4 | 173.7 | -83.6 | 159.9 | 0 | 0 | 0 | 112.4 | Y2274 W2275 I2313 L2332 I2335 | L2271-Y2274 PolarHBondContact O-N 3.4Å; L2271-W2275 PolarHBondContact O-N 3.19Å; L2271-I2313 HydrophobicContact CD2-CD1 3.62Å; L2271-I2313 HydrophobicContact CD2-CG1 4Å; L2271-L2332 HydrophobicContact CD1-CD2 4.08Å; L2271-I2335 HydrophobicContact CD1-CG2 4.35Å |
| 2272 | Y | 47.2 | Very low | 35.8 | Very low | 46 Ų | 46 | 78.5 Ų | 78.5 | 18% | 0.18 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.3 | -40 | 177.2 | -173.6 | -99.3 | 0 | 0 | 0 | 113.6 | S2270 Y2274 W2275 S2276 F2453 L2454 Q2457 | S2270-Y2272 PolarHBondContact O-N 3.34Å; S2270-Y2272 VanDerWaalsContact O-N 3.13Å; Y2272-Y2274 VanDerWaalsContact C-N 3.29Å; Y2272-Y2274 PolarHBondContact O-N 3.37Å; Y2272-W2275 HydrophobicContact CD2-CE3 4.01Å; Y2272-W2275 HydrophobicContact CD2-CZ3 4.31Å; Y2272-W2275 AromaticContact CE2-CE3 3.7Å; Y2272-W2275 HydrophobicContact CE2-CE3 3.7Å; Y2272-W2275 AromaticContact CE2-CZ3 3.56Å; Y2272-W2275 HydrophobicContact CE2-CZ3 3.56Å; Y2272-W2275 WeakPolarHBondContact O-CB 3.01Å; Y2272-W2275 PolarHBondContact O-N 2.69Å; Y2272-W2275 VanDerWaalsContact O-N 3.16Å; Y2272-S2276 WeakPolarHBondContact O-CB 3.48Å; Y2272-S2276 PolarHBondContact O-N 3.33Å; Y2272-F2453 HydrophobicContact CD1-CZ 4.39Å; Y2272-F2453 HydrophobicContact CG-CE1 4.23Å; Y2272-F2453 HydrophobicContact CG-CZ 4.44Å; Y2272-L2454 HydrophobicContact CD2-CD2 4.46Å; Y2272-Q2457 HydrophobicContact CD1-CG 4.42Å; Y2272-Q2457 HydrophobicContact CD2-CB 3.87Å; Y2272-Q2457 HydrophobicContact CD2-CG 4.17Å; Y2272-Q2457 HydrophobicContact CE1-CG 4.19Å; Y2272-Q2457 HydrophobicContact CE2-CB 3.48Å; Y2272-Q2457 VanDerWaalsContact CE2-CB 3.48Å; Y2272-Q2457 HydrophobicContact CE2-CG 3.92Å; Y2272-Q2457 HydrophobicContact CG-CG 4.4Å; Y2272-Q2457 PolarHBondContact OH-OE1 3.18Å |
| 2273 | K | 42.5 | Very low | 35.7 | Very low | 16 Ų | 16 | 83.8 Ų | 83.8 | 7% | 0.07 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -69.4 | -31.3 | -177.1 | -168.8 | 153.2 | -169.7 | 140.9 | 0 | 112.3 | D2147 E2148 S2270 N2277 | D2147-K2273 IonicContact OD2-NZ 2.66Å; D2147-K2273 PolarHBondContact OD2-NZ 3.22Å; E2148-K2273 WeakPolarHBondContact OE1-CE 3.39Å; E2148-K2273 IonicContact OE1-NZ 2.71Å; E2148-K2273 PolarHBondContact OE1-NZ 3.36Å; S2270-K2273 PolarHBondContact O-N 2.99Å; S2270-K2273 PolarHBondContact OG-N 2.84Å; K2273-N2277 WeakPolarHBondContact O-CB 3.48Å; K2273-N2277 PolarHBondContact O-N 3.26Å |
| 2274 | Y | 46.5 | Very low | 35.8 | Very low | 72 Ų | 72 | 85.7 Ų | 85.7 | 28% | 0.282 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.7 | -42 | 170.9 | -172.6 | -86.9 | 0 | 0 | 0 | 111.7 | S2270 L2271 Y2272 F2278 H2310 | S2270-Y2274 PolarHBondContact O-N 3.14Å; L2271-Y2274 PolarHBondContact O-N 3.4Å; Y2272-Y2274 VanDerWaalsContact C-N 3.29Å; Y2272-Y2274 PolarHBondContact O-N 3.37Å; Y2274-F2278 PolarHBondContact O-N 2.91Å; Y2274-H2310 AromaticContact CD1-NE2 3.89Å; Y2274-H2310 AromaticContact CE1-CD2 3.76Å; Y2274-H2310 AromaticContact CE1-NE2 2.58Å; Y2274-H2310 WeakPolarHBondContact CE1-NE2 3.17Å; Y2274-H2310 AromaticContact CE2-NE2 3.9Å; Y2274-H2310 AromaticContact CZ-NE2 2.58Å; Y2274-H2310 PolarHBondContact OH-CE1 2.92Å; Y2274-H2310 PolarHBondContact OH-NE2 3.5Å |
| 2275 | W | 49.8 | Very low | 36 | Very low | 68 Ų | 68 | 84.3 Ų | 84.3 | 26% | 0.258 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.6 | -45.3 | 174.6 | 177.8 | 83.5 | 0 | 0 | 0 | 112.8 | L2271 Y2272 N2277 F2278 R2279 I2317 | L2271-W2275 PolarHBondContact O-N 3.19Å; Y2272-W2275 HydrophobicContact CD2-CE3 4.01Å; Y2272-W2275 HydrophobicContact CD2-CZ3 4.31Å; Y2272-W2275 AromaticContact CE2-CE3 3.7Å; Y2272-W2275 HydrophobicContact CE2-CE3 3.7Å; Y2272-W2275 AromaticContact CE2-CZ3 3.56Å; Y2272-W2275 HydrophobicContact CE2-CZ3 3.56Å; Y2272-W2275 WeakPolarHBondContact O-CB 3.01Å; Y2272-W2275 PolarHBondContact O-N 2.69Å; Y2272-W2275 VanDerWaalsContact O-N 3.16Å; W2275-N2277 PolarHBondContact O-N 2.84Å; W2275-F2278 PolarHBondContact O-N 2.88Å; W2275-R2279 PolarHBondContact O-N 3.29Å; W2275-I2317 HydrophobicContact CD2-CD1 4.31Å; W2275-I2317 HydrophobicContact CG-CD1 4.17Å |
| 2276 | S | 41.8 | Very low | 36 | Very low | 23 Ų | 23 | 85.1 Ų | 85.1 | 16% | 0.161 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -57.7 | -49.4 | 178.2 | -179.2 | 0 | 0 | 0 | 0 | 112.1 | Y2272 F2278 R2279 N2280 | Y2272-S2276 WeakPolarHBondContact O-CB 3.48Å; Y2272-S2276 PolarHBondContact O-N 3.33Å; S2276-F2278 VanDerWaalsContact C-N 3.26Å; S2276-F2278 PolarHBondContact O-N 3.48Å; S2276-R2279 PolarHBondContact O-N 2.82Å; S2276-N2280 PolarHBondContact O-N 3.43Å |
| 2277 | N | 40.1 | Very low | 36 | Very low | 92 Ų | 92 | 92.4 Ų | 92.4 | 49% | 0.492 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.5 | -29.3 | 179.1 | -73.9 | -3 | 0 | 0 | 0 | 113 | K2273 W2275 S2281 | K2273-N2277 WeakPolarHBondContact O-CB 3.48Å; K2273-N2277 PolarHBondContact O-N 3.26Å; W2275-N2277 PolarHBondContact O-N 2.84Å; N2277-S2281 PolarHBondContact O-N 3.38Å; N2277-S2281 PolarHBondContact O-OG 3.18Å |
| 2278 | F | 38.7 | Very low | 35.6 | Very low | 118 Ų | 118 | 96.4 Ų | 96.4 | 52% | 0.518 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -77 | -28.3 | 174.3 | -139 | -78 | 0 | 0 | 0 | 112.6 | Y2274 W2275 S2276 S2281 | Y2274-F2278 PolarHBondContact O-N 2.91Å; W2275-F2278 PolarHBondContact O-N 2.88Å; S2276-F2278 VanDerWaalsContact C-N 3.26Å; S2276-F2278 PolarHBondContact O-N 3.48Å; F2278-S2281 PolarHBondContact O-OG 2.9Å; F2278-S2281 VanDerWaalsContact O-OG 3.08Å |
| 2279 | R | 36 | Very low | 35.4 | Very low | 173 Ų | 173 | 98.3 Ų | 98.3 | 65% | 0.653 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -79.1 | -29.2 | 178.6 | -160.1 | 175.6 | -170.5 | -152.6 | -0.4 | 112.6 | W2275 S2276 | W2275-R2279 PolarHBondContact O-N 3.29Å; S2276-R2279 PolarHBondContact O-N 2.82Å |
| 2280 | N | 35.5 | Very low | 35 | Very low | 124 Ų | 124 | 101.1 Ų | 101.1 | 66% | 0.663 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -92.8 | -5.4 | -179.1 | -65.6 | -19.3 | 0 | 0 | 0 | 113.8 | S2276 | S2276-N2280 PolarHBondContact O-N 3.43Š|
| 2281 | S | 32.8 | Very low | 33.8 | Very low | 73 Ų | 73 | 110.3 Ų | 110.3 | 51% | 0.51 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -84.8 | -14.9 | 179.7 | 53.2 | 0 | 0 | 0 | 0 | 115.3 | N2277 F2278 | N2277-S2281 PolarHBondContact O-N 3.38Å; N2277-S2281 PolarHBondContact O-OG 3.18Å; F2278-S2281 PolarHBondContact O-OG 2.9Å; F2278-S2281 VanDerWaalsContact O-OG 3.08Å |
| 2282 | D | 29.6 | Very low | 32.8 | Very low | 120 Ų | 120 | 117.4 Ų | 117.4 | 64% | 0.642 | 59% | 0.589 | S | S | * | * | trans | -121 | 52.8 | -171.4 | -79.7 | -60.8 | 0 | 0 | 0 | 114 | ||||
| 2283 | Q | 26.8 | Very low | 31.8 | Very low | 178 Ų | 178 | 120.2 Ų | 120.2 | 83% | 0.832 | 61% | 0.613 | S | S | * | * | trans | -127.2 | 57.2 | 160 | -71.8 | -155.8 | 9.1 | 0 | 0 | 113.4 | ||||
| 2284 | N | 27.1 | Very low | 30.8 | Very low | 172 Ų | 172 | 124.3 Ų | 124.3 | 92% | 0.92 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -134.7 | 66.8 | 147.5 | -96.1 | -48.5 | 0 | 0 | 0 | 108.1 | ||
| 2285 | S | 27.5 | Very low | 29.8 | Very low | 99 Ų | 99 | 126 Ų | 126 | 69% | 0.692 | 67% | 0.666 | S | S | * | * | trans | -80.2 | 152.6 | -176.5 | 60.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 2286 | P | 25 | Very low | 28.5 | Very low | 109 Ų | 109 | 131.8 Ų | 131.8 | 71% | 0.708 | 70% | 0.696 | S | S | * | * | -107 | 160.3 | 82.5 | 33.6 | -35.9 | 0 | 0 | 0 | 112.3 | |||||
| 2287 | W | 23.4 | Very low | 27.9 | Very low | 219 Ų | 219 | 134.6 Ų | 134.6 | 83% | 0.83 | 71% | 0.709 | S | S | * | * | cis | -126.8 | 143.3 | 38.1 | -78.2 | 61.8 | 0 | 0 | 0 | 115.7 | L2289 | W2287-L2289 HydrophobicContact CE3-CB 4.38Å; W2287-L2289 HydrophobicContact CE3-CD1 4.35Å; W2287-L2289 HydrophobicContact CZ3-CD1 4.15Å | ||
| 2288 | S | 21.2 | Very low | 27.3 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 81% | 0.811 | 72% | 0.716 | S | S | * | * | trans | -127.4 | 73.9 | 169.1 | 61.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 2289 | L | 22.8 | Very low | 26.7 | Very low | 136 Ų | 136 | 135.3 Ų | 135.3 | 71% | 0.712 | 73% | 0.726 | S | S | * | * | trans | -154.2 | 137.9 | 171.7 | -80.8 | 173.7 | 0 | 0 | 0 | 107.7 | W2287 | W2287-L2289 HydrophobicContact CE3-CB 4.38Å; W2287-L2289 HydrophobicContact CE3-CD1 4.35Å; W2287-L2289 HydrophobicContact CZ3-CD1 4.15Å | ||
| 2290 | V | 23.9 | Very low | 26.3 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | cis | -155.3 | -180 | -18.1 | 93.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 2291 | R | 21 | Very low | 26.1 | Very low | 223 Ų | 223 | 132.7 Ų | 132.7 | 84% | 0.842 | 73% | 0.733 | S | S | * | * | trans | -30.7 | 137.5 | 176.2 | -53.2 | 167.1 | -163.2 | 178.6 | 3.7 | 116.5 | ||||
| 2292 | I | 30.3 | Very low | 25.8 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 86% | 0.856 | 75% | 0.753 | S | S | * | * | trans | -48.4 | 129.7 | 152.9 | -62.6 | 163.5 | 0 | 0 | 0 | 108.3 | ||||
| 2293 | P | 26.7 | Very low | 25.6 | Very low | 105 Ų | 105 | 135.2 Ų | 135.2 | 68% | 0.682 | 76% | 0.757 | S | S | * | * | -154.3 | 169.5 | 73.4 | 40.8 | -19.9 | 0 | 0 | 0 | 120 | |||||
| 2294 | S | 21.3 | Very low | 25.7 | Very low | 102 Ų | 102 | 134.6 Ų | 134.6 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | trans | 58.2 | 96.1 | 148.6 | 59.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 2295 | S | 24.6 | Very low | 25.9 | Very low | 109 Ų | 109 | 132.3 Ų | 132.3 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | 47.9 | 109.1 | 127.9 | 63.9 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 2296 | Q | 23.6 | Very low | 26.5 | Very low | 188 Ų | 188 | 132 Ų | 132 | 88% | 0.879 | 75% | 0.754 | S | S | * | * | -176.8 | 153.8 | 102 | -99.7 | -174.9 | -24.7 | 0 | 0 | 112 | |||||
| 2297 | D | 27.9 | Very low | 27.5 | Very low | 82 Ų | 82 | 129.8 Ų | 129.8 | 44% | 0.439 | 74% | 0.74 | S | S | . | * | trans | -57.8 | 154.1 | -175.8 | -40.6 | 44.9 | 0 | 0 | 0 | 112.5 | S2373 | D2297-S2373 WeakPolarHBondContact OD2-CB 3.43Å; D2297-S2373 PolarHBondContact OD2-N 2.82Å; D2297-S2373 PolarHBondContact OD2-OG 3.3Å | ||
| 2298 | T | 28.2 | Very low | 29 | Very low | 106 Ų | 106 | 122.6 Ų | 122.6 | 65% | 0.65 | 72% | 0.722 | S | S | * | * | cis | -146.3 | -164.4 | 29.5 | 32.7 | 0 | 0 | 0 | 0 | 109.1 | P2375 | T2298-P2375 HydrophobicContact CG2-CG 4.46Š| ||
| 2299 | V | 25.9 | Very low | 30.7 | Very low | 120 Ų | 120 | 118 Ų | 118 | 73% | 0.727 | 69% | 0.688 | S | S | * | * | cis | -154.8 | 163.9 | 18.4 | -152.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 2300 | N | 27.6 | Very low | 32.4 | Very low | 143 Ų | 143 | 113.9 Ų | 113.9 | 77% | 0.765 | 67% | 0.665 | S | S | * | * | trans | 30.4 | 98.6 | 158.2 | -75.3 | 7.3 | 0 | 0 | 0 | 122.2 | ||||
| 2301 | S | 31.3 | Very low | 34.5 | Very low | 98 Ų | 98 | 110.8 Ų | 110.8 | 69% | 0.685 | 65% | 0.652 | S | S | * | * | 59 | 101.3 | 122.7 | 67.6 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 2302 | N | 26.8 | Very low | 36.8 | Very low | 176 Ų | 176 | 100.4 Ų | 100.4 | 94% | 0.941 | 61% | 0.614 | S | S | * | * | -177.3 | 141.4 | 119.5 | -96.5 | -33.6 | 0 | 0 | 0 | 111.2 | |||||
| 2303 | G | 25.9 | Very low | 38.7 | Very low | 70 Ų | 70 | 93.2 Ų | 93.2 | 72% | 0.722 | 58% | 0.577 | S | S | * | * | trans | 138.7 | 136.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 2304 | N | 28.6 | Very low | 40.9 | Very low | 166 Ų | 166 | 92.4 Ų | 92.4 | 89% | 0.888 | 57% | 0.566 | S | S | * | * | trans | 39.8 | 104.4 | 156 | -61.8 | -0.6 | 0 | 0 | 0 | 120.4 | ||||
| 2305 | S | 31.4 | Very low | 43.6 | Very low | 124 Ų | 124 | 91.9 Ų | 91.9 | 87% | 0.867 | 55% | 0.553 | S | S | * | * | trans | -101.3 | 116 | 148.3 | 47.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 2306 | C | 38.7 | Very low | 46.4 | Very low | 93 Ų | 93 | 86.8 Ų | 86.8 | 63% | 0.628 | 52% | 0.517 | S | S | * | . | trans | -69.3 | 157 | 165.2 | -78.8 | 0 | 0 | 0 | 0 | 110.4 | H2310 | C2306-H2310 HydrophobicContact CB-CB 4.36Š| ||
| 2307 | C | 46.8 | Very low | 48.7 | Very low | 61 Ų | 61 | 78.7 Ų | 78.7 | 41% | 0.412 | 48% | 0.479 | S | S | . | . | trans | -72.1 | 141.6 | 177 | -164.8 | 0 | 0 | 0 | 0 | 109.1 | I2309 H2310 | C2307-I2309 HydrophobicContact CB-CG2 4Å; C2307-I2309 PolarHBondContact O-N 2.81Å; C2307-I2309 VanDerWaalsContact O-N 3.08Å; C2307-H2310 PolarHBondContact N-ND1 2.9Å; C2307-H2310 VanDerWaalsContact O-CB 3.25Å; C2307-H2310 WeakPolarHBondContact O-CB 3.31Å; C2307-H2310 PolarHBondContact O-N 3.44Å | ||
| 2308 | P | 54 | Low | 51 | Low | 69 Ų | 69 | 78 Ų | 78 | 45% | 0.448 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -53.5 | -35.3 | -178.7 | -29.1 | 36.1 | 0 | 0 | 0 | 113.6 | H2310 A2311 T2312 L2345 | P2308-H2310 PolarHBondContact O-N 3.29Å; P2308-A2311 PolarHBondContact O-N 3.16Å; P2308-A2311 VanDerWaalsContact O-N 3.12Å; P2308-T2312 PolarHBondContact O-N 3.25Å; P2308-T2312 PolarHBondContact O-OG1 3.09Å; P2308-L2345 HydrophobicContact CB-CD1 4.09Å |
| 2309 | I | 56.7 | Low | 53.6 | Low | 19 Ų | 19 | 73.4 Ų | 73.4 | 10% | 0.097 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -59.1 | -28.6 | 176.1 | -156.8 | 170.9 | 0 | 0 | 0 | 113.1 | C2307 T2312 I2313 I2335 L2339 | C2307-I2309 HydrophobicContact CB-CG2 4Å; C2307-I2309 PolarHBondContact O-N 2.81Å; C2307-I2309 VanDerWaalsContact O-N 3.08Å; I2309-T2312 PolarHBondContact O-N 3.24Å; I2309-I2313 HydrophobicContact CG1-CD1 4.24Å; I2309-I2313 WeakPolarHBondContact O-CB 3.34Å; I2309-I2313 WeakPolarHBondContact O-CD1 3.42Å; I2309-I2313 WeakPolarHBondContact O-CG1 3.13Å; I2309-I2313 PolarHBondContact O-N 3.02Å; I2309-I2335 HydrophobicContact CD1-CG2 4.28Å; I2309-I2335 HydrophobicContact CG1-CG1 4.25Å; I2309-L2339 HydrophobicContact CD1-CD2 3.71Å; I2309-L2339 HydrophobicContact CD1-CG 4.31Å |
| 2310 | H | 59.8 | Low | 56 | Low | 50 Ų | 50 | 68 Ų | 68 | 23% | 0.231 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -65.8 | -42.8 | 176.1 | -57.2 | 157.8 | 0 | 0 | 0 | 111.2 | Y2274 C2306 C2307 P2308 T2312 I2313 D2314 | Y2274-H2310 AromaticContact CD1-NE2 3.89Å; Y2274-H2310 AromaticContact CE1-CD2 3.76Å; Y2274-H2310 AromaticContact CE1-NE2 2.58Å; Y2274-H2310 WeakPolarHBondContact CE1-NE2 3.17Å; Y2274-H2310 AromaticContact CE2-NE2 3.9Å; Y2274-H2310 AromaticContact CZ-NE2 2.58Å; Y2274-H2310 PolarHBondContact OH-CE1 2.92Å; Y2274-H2310 PolarHBondContact OH-NE2 3.5Å; C2306-H2310 HydrophobicContact CB-CB 4.36Å; C2307-H2310 PolarHBondContact N-ND1 2.9Å; C2307-H2310 VanDerWaalsContact O-CB 3.25Å; C2307-H2310 WeakPolarHBondContact O-CB 3.31Å; C2307-H2310 PolarHBondContact O-N 3.44Å; P2308-H2310 PolarHBondContact O-N 3.29Å; H2310-T2312 VanDerWaalsContact C-N 3.34Å; H2310-T2312 PolarHBondContact O-N 3.01Å; H2310-I2313 PolarHBondContact O-N 3.1Å; H2310-D2314 PolarHBondContact O-N 3.42Å |
| 2311 | A | 67.4 | Low | 58.2 | Low | 55 Ų | 55 | 66.4 Ų | 66.4 | 46% | 0.455 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -66.4 | -37.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | P2308 I2313 D2314 Q2315 | P2308-A2311 PolarHBondContact O-N 3.16Å; P2308-A2311 VanDerWaalsContact O-N 3.12Å; A2311-I2313 VanDerWaalsContact C-N 3.33Å; A2311-D2314 PolarHBondContact O-N 3.35Å; A2311-Q2315 WeakPolarHBondContact O-CB 3.43Å; A2311-Q2315 VanDerWaalsContact O-CG 3.29Å; A2311-Q2315 WeakPolarHBondContact O-CG 3.49Å; A2311-Q2315 PolarHBondContact O-N 3.25Å |
| 2312 | T | 69.8 | Low | 60.5 | Low | 6 Ų | 6 | 70.8 Ų | 70.8 | 4% | 0.037 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -66.1 | -34.4 | 172.8 | -36.4 | 0 | 0 | 0 | 0 | 112 | P2308 I2309 H2310 L2316 Y2331 Q2334 I2335 | P2308-T2312 PolarHBondContact O-N 3.25Å; P2308-T2312 PolarHBondContact O-OG1 3.09Å; I2309-T2312 PolarHBondContact O-N 3.24Å; H2310-T2312 VanDerWaalsContact C-N 3.34Å; H2310-T2312 PolarHBondContact O-N 3.01Å; T2312-L2316 VanDerWaalsContact O-CB 3.28Å; T2312-L2316 WeakPolarHBondContact O-CB 3.48Å; T2312-L2316 PolarHBondContact O-N 3.46Å; T2312-Y2331 HydrophobicContact CG2-CD1 4.02Å; T2312-Y2331 HydrophobicContact CG2-CG 4.46Å; T2312-Q2334 HydrophobicContact CG2-CB 4.27Å; T2312-I2335 HydrophobicContact CG2-CD1 4.19Å; T2312-I2335 HydrophobicContact CG2-CG1 3.82Å |
| 2313 | I | 70.8 | Confident | 62.8 | Low | 16 Ų | 16 | 66.9 Ų | 66.9 | 8% | 0.082 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -69.6 | -42.3 | 174.7 | -71.5 | 161.8 | 0 | 0 | 0 | 111.5 | L2271 I2309 H2310 A2311 Q2315 L2316 I2317 I2335 | L2271-I2313 HydrophobicContact CD2-CD1 3.62Å; L2271-I2313 HydrophobicContact CD2-CG1 4Å; I2309-I2313 HydrophobicContact CG1-CD1 4.24Å; I2309-I2313 WeakPolarHBondContact O-CB 3.34Å; I2309-I2313 WeakPolarHBondContact O-CD1 3.42Å; I2309-I2313 WeakPolarHBondContact O-CG1 3.13Å; I2309-I2313 PolarHBondContact O-N 3.02Å; H2310-I2313 PolarHBondContact O-N 3.1Å; A2311-I2313 VanDerWaalsContact C-N 3.33Å; I2313-Q2315 VanDerWaalsContact C-N 3.34Å; I2313-L2316 WeakPolarHBondContact O-CB 3.48Å; I2313-L2316 PolarHBondContact O-N 3.33Å; I2313-I2317 HydrophobicContact CG2-CD1 3.87Å; I2313-I2317 WeakPolarHBondContact O-CB 3.34Å; I2313-I2317 VanDerWaalsContact O-CG1 3.31Å; I2313-I2317 WeakPolarHBondContact O-CG1 3.49Å; I2313-I2317 PolarHBondContact O-N 2.93Å; I2313-I2335 HydrophobicContact CG1-CD1 3.89Å |
| 2314 | D | 71.9 | Confident | 65.5 | Low | 87 Ų | 87 | 66.7 Ų | 66.7 | 47% | 0.465 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.6 | -37.5 | 174.1 | -79.8 | -35.2 | 0 | 0 | 0 | 111.8 | H2310 A2311 I2317 N2318 | H2310-D2314 PolarHBondContact O-N 3.42Å; A2311-D2314 PolarHBondContact O-N 3.35Å; D2314-I2317 PolarHBondContact O-N 3.34Å; D2314-N2318 WeakPolarHBondContact O-CB 3.43Å; D2314-N2318 PolarHBondContact O-N 3.27Å; D2314-N2318 PolarHBondContact O-ND2 3.43Å |
| 2315 | Q | 78.9 | Confident | 68.1 | Low | 91 Ų | 91 | 59.4 Ų | 59.4 | 43% | 0.425 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 172.4 | -75.7 | 177.9 | -5.1 | 0 | 0 | 112.2 | A2311 I2313 N2318 A2319 Y2331 | A2311-Q2315 WeakPolarHBondContact O-CB 3.43Å; A2311-Q2315 VanDerWaalsContact O-CG 3.29Å; A2311-Q2315 WeakPolarHBondContact O-CG 3.49Å; A2311-Q2315 PolarHBondContact O-N 3.25Å; I2313-Q2315 VanDerWaalsContact C-N 3.34Å; Q2315-N2318 PolarHBondContact O-N 3.4Å; Q2315-A2319 WeakPolarHBondContact O-CB 3.34Å; Q2315-A2319 PolarHBondContact O-N 3.29Å; Q2315-Y2331 HydrophobicContact CB-CD1 4.23Å; Q2315-Y2331 HydrophobicContact CB-CD2 4.03Å; Q2315-Y2331 HydrophobicContact CB-CE1 3.94Å; Q2315-Y2331 HydrophobicContact CB-CE2 3.72Å; Q2315-Y2331 HydrophobicContact CB-CG 4.3Å |
| 2316 | L | 81.7 | Confident | 70.7 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.1 | -49.4 | 172.1 | 171.5 | 57.9 | 0 | 0 | 0 | 112 | T2312 I2313 N2318 A2319 I2320 A2328 L2332 I2335 L2451 L2454 | T2312-L2316 VanDerWaalsContact O-CB 3.28Å; T2312-L2316 WeakPolarHBondContact O-CB 3.48Å; T2312-L2316 PolarHBondContact O-N 3.46Å; I2313-L2316 WeakPolarHBondContact O-CB 3.48Å; I2313-L2316 PolarHBondContact O-N 3.33Å; L2316-N2318 VanDerWaalsContact C-N 3.28Å; L2316-N2318 PolarHBondContact O-N 2.9Å; L2316-A2319 PolarHBondContact O-N 2.63Å; L2316-I2320 HydrophobicContact CD1-CD1 3.87Å; L2316-I2320 HydrophobicContact CD1-CG1 4.32Å; L2316-I2320 HydrophobicContact CG-CD1 4.12Å; L2316-I2320 WeakPolarHBondContact O-CB 3.22Å; L2316-I2320 VanDerWaalsContact O-CG1 3.32Å; L2316-I2320 WeakPolarHBondContact O-CG1 3.35Å; L2316-I2320 PolarHBondContact O-N 2.82Å; L2316-A2328 HydrophobicContact CD1-CB 3.98Å; L2316-A2328 WeakPolarHBondContact CD1-O 3.34Å; L2316-L2332 HydrophobicContact CD1-CD1 4.36Å; L2316-L2332 HydrophobicContact CD1-CG 3.95Å; L2316-L2332 HydrophobicContact CD2-CD2 3.68Å; L2316-L2332 HydrophobicContact CD2-CG 3.8Å; L2316-I2335 HydrophobicContact CD2-CD1 3.87Å; L2316-L2451 HydrophobicContact CD1-CD1 4.29Å; L2316-L2454 HydrophobicContact CD2-CD1 3.75Å; L2316-L2454 HydrophobicContact CG-CD1 4.36Å |
| 2317 | I | 73.8 | Confident | 72.8 | Confident | 18 Ų | 18 | 59.6 Ų | 59.6 | 9% | 0.092 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.4 | -36.6 | 178.2 | -71.1 | 168.6 | 0 | 0 | 0 | 111 | W2275 I2313 D2314 K2321 | W2275-I2317 HydrophobicContact CD2-CD1 4.31Å; W2275-I2317 HydrophobicContact CG-CD1 4.17Å; I2313-I2317 HydrophobicContact CG2-CD1 3.87Å; I2313-I2317 WeakPolarHBondContact O-CB 3.34Å; I2313-I2317 VanDerWaalsContact O-CG1 3.31Å; I2313-I2317 WeakPolarHBondContact O-CG1 3.49Å; I2313-I2317 PolarHBondContact O-N 2.93Å; D2314-I2317 PolarHBondContact O-N 3.34Å; I2317-K2321 HydrophobicContact CG2-CD 4.32Å; I2317-K2321 VanDerWaalsContact O-CG 3.29Å; I2317-K2321 WeakPolarHBondContact O-CG 3.44Å; I2317-K2321 PolarHBondContact O-N 3.45Å |
| 2318 | N | 76.2 | Confident | 74.8 | Confident | 68 Ų | 68 | 56.7 Ų | 56.7 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -74.5 | -38.2 | 176.4 | -69.2 | -31 | 0 | 0 | 0 | 112.6 | D2314 Q2315 L2316 I2320 K2321 Y2322 | D2314-N2318 WeakPolarHBondContact O-CB 3.43Å; D2314-N2318 PolarHBondContact O-N 3.27Å; D2314-N2318 PolarHBondContact O-ND2 3.43Å; Q2315-N2318 PolarHBondContact O-N 3.4Å; L2316-N2318 VanDerWaalsContact C-N 3.28Å; L2316-N2318 PolarHBondContact O-N 2.9Å; N2318-I2320 VanDerWaalsContact C-N 3.28Å; N2318-I2320 PolarHBondContact O-N 2.94Å; N2318-K2321 PolarHBondContact O-N 2.79Å; N2318-K2321 PolarHBondContact OD1-NZ 3.06Å; N2318-Y2322 WeakPolarHBondContact O-CD2 3.48Å; N2318-Y2322 PolarHBondContact O-N 2.93Å; N2318-Y2322 VanDerWaalsContact O-N 3.12Å |
| 2319 | A | 81.8 | Confident | 76.3 | Confident | 10 Ų | 10 | 53.4 Ų | 53.4 | 8% | 0.083 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.4 | -39.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q2315 L2316 Y2322 D2323 N2324 F2327 A2328 Y2331 | Q2315-A2319 WeakPolarHBondContact O-CB 3.34Å; Q2315-A2319 PolarHBondContact O-N 3.29Å; L2316-A2319 PolarHBondContact O-N 2.63Å; A2319-Y2322 PolarHBondContact O-N 3.42Å; A2319-D2323 PolarHBondContact O-N 2.89Å; A2319-N2324 PolarHBondContact O-N 3.41Å; A2319-F2327 HydrophobicContact CB-CB 4.03Å; A2319-A2328 HydrophobicContact CB-CB 4Å; A2319-Y2331 HydrophobicContact CB-CD2 4.09Å; A2319-Y2331 HydrophobicContact CB-CE2 4.09Å |
| 2320 | I | 77.3 | Confident | 77.6 | Confident | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.6 | -48.2 | 171.7 | -75.5 | 169.1 | 0 | 0 | 0 | 111.8 | L2316 N2318 Y2322 D2323 A2328 L2451 L2454 I2455 A2458 | L2316-I2320 HydrophobicContact CD1-CD1 3.87Å; L2316-I2320 HydrophobicContact CD1-CG1 4.32Å; L2316-I2320 HydrophobicContact CG-CD1 4.12Å; L2316-I2320 WeakPolarHBondContact O-CB 3.22Å; L2316-I2320 VanDerWaalsContact O-CG1 3.32Å; L2316-I2320 WeakPolarHBondContact O-CG1 3.35Å; L2316-I2320 PolarHBondContact O-N 2.82Å; N2318-I2320 VanDerWaalsContact C-N 3.28Å; N2318-I2320 PolarHBondContact O-N 2.94Å; I2320-Y2322 PolarHBondContact O-N 3.37Å; I2320-D2323 PolarHBondContact O-N 3.14Å; I2320-A2328 HydrophobicContact CG1-CB 4.02Å; I2320-L2451 HydrophobicContact CD1-CD1 3.77Å; I2320-L2451 HydrophobicContact CG1-CD1 3.85Å; I2320-L2454 HydrophobicContact CD1-CB 3.63Å; I2320-L2454 HydrophobicContact CD1-CD1 4.46Å; I2320-I2455 HydrophobicContact CB-CG1 4.3Å; I2320-I2455 HydrophobicContact CD1-CG1 4.13Å; I2320-I2455 HydrophobicContact CG1-CG1 3.79Å; I2320-I2455 HydrophobicContact CG2-CB 4.31Å; I2320-I2455 HydrophobicContact CG2-CG1 3.76Å; I2320-A2458 HydrophobicContact CG2-CB 3.54Å |
| 2321 | K | 72.2 | Confident | 78.9 | Confident | 110 Ų | 110 | 55 Ų | 55 | 48% | 0.478 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.4 | -27.1 | 179.2 | -76.2 | 168.7 | -173.4 | 165.2 | 0 | 114.1 | I2317 N2318 | I2317-K2321 HydrophobicContact CG2-CD 4.32Å; I2317-K2321 VanDerWaalsContact O-CG 3.29Å; I2317-K2321 WeakPolarHBondContact O-CG 3.44Å; I2317-K2321 PolarHBondContact O-N 3.45Å; N2318-K2321 PolarHBondContact O-N 2.79Å; N2318-K2321 PolarHBondContact OD1-NZ 3.06Å |
| 2322 | Y | 79.8 | Confident | 79.6 | Confident | 190 Ų | 190 | 52.4 Ų | 52.4 | 75% | 0.745 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | 21.1 | 179.1 | -61.4 | -60.4 | 0 | 0 | 0 | 113.2 | N2318 A2319 I2320 N2324 | N2318-Y2322 WeakPolarHBondContact O-CD2 3.48Å; N2318-Y2322 PolarHBondContact O-N 2.93Å; N2318-Y2322 VanDerWaalsContact O-N 3.12Å; A2319-Y2322 PolarHBondContact O-N 3.42Å; I2320-Y2322 PolarHBondContact O-N 3.37Å; Y2322-N2324 PolarHBondContact O-N 3.06Å |
| 2323 | D | 74.9 | Confident | 80.2 | Confident | 93 Ų | 93 | 52.7 Ų | 52.7 | 50% | 0.497 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 19.8 | 177.4 | -170.8 | 34.1 | 0 | 0 | 0 | 114.2 | A2319 I2320 M2325 K2472 | A2319-D2323 PolarHBondContact O-N 2.89Å; I2320-D2323 PolarHBondContact O-N 3.14Å; D2323-M2325 VanDerWaalsContact C-N 3.31Å; D2323-M2325 PolarHBondContact O-N 3.29Å; D2323-K2472 IonicContact OD1-NZ 3.1Å; D2323-K2472 PolarHBondContact OD1-NZ 3.28Å; D2323-K2472 IonicContact OD2-NZ 3.48Å; D2323-K2472 PolarHBondContact OD2-NZ 2.83Å |
| 2324 | N | 83 | Confident | 80.6 | Confident | 67 Ų | 67 | 55.3 Ų | 55.3 | 36% | 0.358 | 25% | 0.254 | S | S | . | . | trans | -90.2 | 71.5 | -175.6 | -160.6 | -40.5 | 0 | 0 | 0 | 110.5 | A2319 Y2322 R2326 F2327 A2328 | A2319-N2324 PolarHBondContact O-N 3.41Å; Y2322-N2324 PolarHBondContact O-N 3.06Å; N2324-R2326 PolarHBondContact O-N 3.27Å; N2324-R2326 VanDerWaalsContact O-N 3.14Å; N2324-F2327 HydrophobicContact CB-CD2 4.48Å; N2324-F2327 WeakPolarHBondContact ND2-CD2 3.45Å; N2324-F2327 PolarHBondContact O-N 3.48Å; N2324-F2327 VanDerWaalsContact O-N 3.16Å; N2324-F2327 WeakPolarHBondContact OD1-CD2 3.32Å; N2324-F2327 PolarHBondContact OD1-N 2.69Å; N2324-A2328 PolarHBondContact O-N 2.74Å | ||
| 2325 | M | 83.8 | Confident | 80.7 | Confident | 12 Ų | 12 | 51.3 Ų | 51.3 | 6% | 0.059 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.5 | -24.9 | -172.4 | -157.4 | 178 | -57.5 | 0 | 0 | 113.8 | D2323 A2328 L2329 L2451 F2469 K2472 Y2473 | D2323-M2325 VanDerWaalsContact C-N 3.31Å; D2323-M2325 PolarHBondContact O-N 3.29Å; M2325-A2328 PolarHBondContact O-N 3.2Å; M2325-L2329 PolarHBondContact O-N 2.98Å; M2325-L2451 HydrophobicContact CG-CD2 3.88Å; M2325-F2469 HydrophobicContact CE-CD2 3.33Å; M2325-F2469 HydrophobicContact CE-CE2 3.7Å; M2325-F2469 HydrophobicContact CE-CG 4.31Å; M2325-F2469 HydrophobicContact SD-CD2 3.99Å; M2325-F2469 HydrophobicContact SD-CE2 3.79Å; M2325-K2472 HydrophobicContact CE-CB 3.45Å; M2325-K2472 VanDerWaalsContact CE-CB 3.45Å; M2325-K2472 HydrophobicContact CE-CD 3.82Å; M2325-K2472 HydrophobicContact CE-CG 4.32Å; M2325-K2472 HydrophobicContact SD-CB 3.73Å; M2325-Y2473 WeakPolarHBondContact SD-CA 3.34Å; M2325-Y2473 HydrophobicContact SD-CD2 4.31Å; M2325-Y2473 PolarHBondContact SD-N 3.38Å |
| 2326 | R | 85.5 | Confident | 80.5 | Confident | 131 Ų | 131 | 47.5 Ų | 47.5 | 49% | 0.494 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.9 | -55.3 | 173.4 | -177.1 | 177.2 | 177.5 | 137.5 | 4.5 | 111 | N2324 A2328 L2329 E2330 V2476 F2480 | N2324-R2326 PolarHBondContact O-N 3.27Å; N2324-R2326 VanDerWaalsContact O-N 3.14Å; R2326-A2328 VanDerWaalsContact C-N 3.31Å; R2326-A2328 PolarHBondContact O-N 3.21Å; R2326-L2329 PolarHBondContact O-N 2.94Å; R2326-E2330 WeakPolarHBondContact O-CB 3.48Å; R2326-E2330 PolarHBondContact O-N 3.02Å; R2326-V2476 HydrophobicContact CB-CG1 4.46Å; R2326-V2476 HydrophobicContact CB-CG2 4.2Å; R2326-F2480 HydrophobicContact CG-CE2 4.14Å; R2326-F2480 HydrophobicContact CG-CZ 4.41Å |
| 2327 | F | 83.5 | Confident | 79.8 | Confident | 90 Ų | 90 | 48.5 Ų | 48.5 | 40% | 0.395 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -68.1 | -32.6 | 177.4 | -68.7 | -52.1 | 0 | 0 | 0 | 111.9 | A2319 N2324 E2330 Y2331 | A2319-F2327 HydrophobicContact CB-CB 4.03Å; N2324-F2327 HydrophobicContact CB-CD2 4.48Å; N2324-F2327 WeakPolarHBondContact ND2-CD2 3.45Å; N2324-F2327 PolarHBondContact O-N 3.48Å; N2324-F2327 VanDerWaalsContact O-N 3.16Å; N2324-F2327 WeakPolarHBondContact OD1-CD2 3.32Å; N2324-F2327 PolarHBondContact OD1-N 2.69Å; F2327-E2330 PolarHBondContact O-N 3.28Å; F2327-Y2331 HydrophobicContact CB-CD2 4.22Å; F2327-Y2331 HydrophobicContact CB-CE2 3.79Å; F2327-Y2331 WeakPolarHBondContact O-CB 3.45Å; F2327-Y2331 WeakPolarHBondContact O-CD2 3.4Å; F2327-Y2331 VanDerWaalsContact O-CG 3.3Å; F2327-Y2331 PolarHBondContact O-N 3.28Å |
| 2328 | A | 87.3 | Confident | 79.3 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.8 | -43.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L2316 A2319 I2320 N2324 M2325 R2326 L2332 L2451 | L2316-A2328 HydrophobicContact CD1-CB 3.98Å; L2316-A2328 WeakPolarHBondContact CD1-O 3.34Å; A2319-A2328 HydrophobicContact CB-CB 4Å; I2320-A2328 HydrophobicContact CG1-CB 4.02Å; N2324-A2328 PolarHBondContact O-N 2.74Å; M2325-A2328 PolarHBondContact O-N 3.2Å; R2326-A2328 VanDerWaalsContact C-N 3.31Å; R2326-A2328 PolarHBondContact O-N 3.21Å; A2328-L2332 PolarHBondContact O-N 3.46Å; A2328-L2332 VanDerWaalsContact O-N 3.15Å; A2328-L2451 HydrophobicContact CB-CD1 3.75Å; A2328-L2451 HydrophobicContact CB-CD2 4.32Å |
| 2329 | L | 86 | Confident | 78.7 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.5 | -38 | 172.5 | -168.8 | 64.3 | 0 | 0 | 0 | 111.5 | M2325 R2326 Y2331 L2332 I2333 L2447 Y2473 V2476 F2480 | M2325-L2329 PolarHBondContact O-N 2.98Å; R2326-L2329 PolarHBondContact O-N 2.94Å; L2329-Y2331 PolarHBondContact O-N 2.84Å; L2329-L2332 PolarHBondContact O-N 2.95Å; L2329-I2333 HydrophobicContact CD2-CD1 4.4Å; L2329-I2333 HydrophobicContact CG-CD1 4Å; L2329-I2333 HydrophobicContact CG-CG1 4.4Å; L2329-I2333 VanDerWaalsContact O-CG1 3.3Å; L2329-I2333 WeakPolarHBondContact O-CG1 3.31Å; L2329-I2333 PolarHBondContact O-N 3.12Å; L2329-L2447 HydrophobicContact CD1-CB 3.82Å; L2329-L2447 HydrophobicContact CD1-CD1 3.73Å; L2329-L2447 HydrophobicContact CD1-CG 4.43Å; L2329-Y2473 HydrophobicContact CD1-CE2 3.81Å; L2329-Y2473 HydrophobicContact CD2-CE2 4.46Å; L2329-V2476 HydrophobicContact CB-CG1 3.9Å; L2329-V2476 HydrophobicContact CD2-CG1 3.77Å; L2329-V2476 HydrophobicContact CG-CG1 4.47Å; L2329-F2480 HydrophobicContact CD2-CD2 4.18Å |
| 2330 | E | 84.3 | Confident | 77.5 | Confident | 56 Ų | 56 | 52 Ų | 52 | 26% | 0.262 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.4 | -43.3 | 177.9 | -159.7 | 176.1 | 143.2 | 0 | 0 | 112.3 | R2326 F2327 I2333 Q2334 F2480 | R2326-E2330 WeakPolarHBondContact O-CB 3.48Å; R2326-E2330 PolarHBondContact O-N 3.02Å; F2327-E2330 PolarHBondContact O-N 3.28Å; E2330-I2333 PolarHBondContact O-N 2.92Å; E2330-Q2334 VanDerWaalsContact O-CG 3.29Å; E2330-Q2334 WeakPolarHBondContact O-CG 3.27Å; E2330-Q2334 PolarHBondContact O-N 3.38Å; E2330-F2480 HydrophobicContact CB-CE2 4.43Å; E2330-F2480 HydrophobicContact CB-CZ 3.83Å; E2330-F2480 HydrophobicContact CG-CE1 4.22Å; E2330-F2480 HydrophobicContact CG-CZ 3.82Å |
| 2331 | Y | 86.6 | Confident | 76.4 | Confident | 45 Ų | 45 | 57.7 Ų | 57.7 | 18% | 0.176 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.5 | -35.2 | 174.8 | -65.9 | -49 | 0 | 0 | 0 | 112.4 | T2312 Q2315 A2319 F2327 L2329 Q2334 I2335 | T2312-Y2331 HydrophobicContact CG2-CD1 4.02Å; T2312-Y2331 HydrophobicContact CG2-CG 4.46Å; Q2315-Y2331 HydrophobicContact CB-CD1 4.23Å; Q2315-Y2331 HydrophobicContact CB-CD2 4.03Å; Q2315-Y2331 HydrophobicContact CB-CE1 3.94Å; Q2315-Y2331 HydrophobicContact CB-CE2 3.72Å; Q2315-Y2331 HydrophobicContact CB-CG 4.3Å; A2319-Y2331 HydrophobicContact CB-CD2 4.09Å; A2319-Y2331 HydrophobicContact CB-CE2 4.09Å; F2327-Y2331 HydrophobicContact CB-CD2 4.22Å; F2327-Y2331 HydrophobicContact CB-CE2 3.79Å; F2327-Y2331 WeakPolarHBondContact O-CB 3.45Å; F2327-Y2331 WeakPolarHBondContact O-CD2 3.4Å; F2327-Y2331 VanDerWaalsContact O-CG 3.3Å; F2327-Y2331 PolarHBondContact O-N 3.28Å; L2329-Y2331 PolarHBondContact O-N 2.84Å; Y2331-Q2334 PolarHBondContact O-N 3.2Å; Y2331-I2335 WeakPolarHBondContact O-CB 3.19Å; Y2331-I2335 WeakPolarHBondContact O-CD1 3.41Å; Y2331-I2335 VanDerWaalsContact O-CG1 3.25Å; Y2331-I2335 WeakPolarHBondContact O-CG1 3.44Å; Y2331-I2335 PolarHBondContact O-N 3.37Å |
| 2332 | L | 83.4 | Confident | 75.1 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.8 | -39.5 | 170.5 | -83.3 | 171.8 | 0 | 0 | 0 | 112.4 | L2271 L2316 A2328 L2329 I2335 R2336 L2447 L2451 L2454 | L2271-L2332 HydrophobicContact CD1-CD2 4.08Å; L2316-L2332 HydrophobicContact CD1-CD1 4.36Å; L2316-L2332 HydrophobicContact CD1-CG 3.95Å; L2316-L2332 HydrophobicContact CD2-CD2 3.68Å; L2316-L2332 HydrophobicContact CD2-CG 3.8Å; A2328-L2332 PolarHBondContact O-N 3.46Å; A2328-L2332 VanDerWaalsContact O-N 3.15Å; L2329-L2332 PolarHBondContact O-N 2.95Å; L2332-I2335 PolarHBondContact O-N 3.21Å; L2332-R2336 WeakPolarHBondContact O-CB 3.45Å; L2332-R2336 PolarHBondContact O-N 3.36Å; L2332-L2447 HydrophobicContact CB-CD1 4.31Å; L2332-L2447 HydrophobicContact CB-CD2 4.21Å; L2332-L2451 HydrophobicContact CD1-CB 3.61Å; L2332-L2451 HydrophobicContact CD1-CD1 3.95Å; L2332-L2451 HydrophobicContact CD1-CD2 4.48Å; L2332-L2451 HydrophobicContact CD1-CG 4.2Å; L2332-L2454 HydrophobicContact CD2-CD1 4.39Å |
| 2333 | I | 82.3 | Confident | 72.9 | Confident | 13 Ų | 13 | 53.9 Ų | 53.9 | 7% | 0.067 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 173.3 | -69.2 | 166 | 0 | 0 | 0 | 110.6 | L2329 E2330 R2336 A2337 L2447 F2480 L2487 L2488 | L2329-I2333 HydrophobicContact CD2-CD1 4.4Å; L2329-I2333 HydrophobicContact CG-CD1 4Å; L2329-I2333 HydrophobicContact CG-CG1 4.4Å; L2329-I2333 VanDerWaalsContact O-CG1 3.3Å; L2329-I2333 WeakPolarHBondContact O-CG1 3.31Å; L2329-I2333 PolarHBondContact O-N 3.12Å; E2330-I2333 PolarHBondContact O-N 2.92Å; I2333-R2336 PolarHBondContact O-N 2.95Å; I2333-A2337 WeakPolarHBondContact O-CB 3.47Å; I2333-A2337 PolarHBondContact O-N 3.22Å; I2333-L2447 HydrophobicContact CG1-CD1 3.74Å; I2333-F2480 HydrophobicContact CD1-CB 4.44Å; I2333-F2480 HydrophobicContact CD1-CD1 4.29Å; I2333-F2480 HydrophobicContact CD1-CD2 4.34Å; I2333-F2480 HydrophobicContact CD1-CG 4.13Å; I2333-L2487 HydrophobicContact CG2-CB 3.93Å; I2333-L2487 HydrophobicContact CG2-CD1 3.81Å; I2333-L2488 HydrophobicContact CD1-CD2 3.96Å; I2333-L2488 HydrophobicContact CD1-CG 4.22Å; I2333-L2488 HydrophobicContact CG1-CD2 4.11Å |
| 2334 | Q | 78.1 | Confident | 71 | Confident | 70 Ų | 70 | 54.7 Ų | 54.7 | 33% | 0.327 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 174.6 | -71.4 | 173 | 23.4 | 0 | 0 | 112.1 | T2312 E2330 Y2331 A2337 H2338 | T2312-Q2334 HydrophobicContact CG2-CB 4.27Å; E2330-Q2334 VanDerWaalsContact O-CG 3.29Å; E2330-Q2334 WeakPolarHBondContact O-CG 3.27Å; E2330-Q2334 PolarHBondContact O-N 3.38Å; Y2331-Q2334 PolarHBondContact O-N 3.2Å; Q2334-A2337 PolarHBondContact O-N 3.08Å; Q2334-H2338 PolarHBondContact O-CD2 3.32Å; Q2334-H2338 PolarHBondContact O-N 2.84Å |
| 2335 | I | 75 | Confident | 68.4 | Low | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.5 | -46.5 | 172.3 | -72.3 | 163.3 | 0 | 0 | 0 | 110.2 | L2271 I2309 T2312 I2313 L2316 Y2331 L2332 A2337 H2338 L2339 | L2271-I2335 HydrophobicContact CD1-CG2 4.35Å; I2309-I2335 HydrophobicContact CD1-CG2 4.28Å; I2309-I2335 HydrophobicContact CG1-CG1 4.25Å; T2312-I2335 HydrophobicContact CG2-CD1 4.19Å; T2312-I2335 HydrophobicContact CG2-CG1 3.82Å; I2313-I2335 HydrophobicContact CG1-CD1 3.89Å; L2316-I2335 HydrophobicContact CD2-CD1 3.87Å; Y2331-I2335 WeakPolarHBondContact O-CB 3.19Å; Y2331-I2335 WeakPolarHBondContact O-CD1 3.41Å; Y2331-I2335 VanDerWaalsContact O-CG1 3.25Å; Y2331-I2335 WeakPolarHBondContact O-CG1 3.44Å; Y2331-I2335 PolarHBondContact O-N 3.37Å; L2332-I2335 PolarHBondContact O-N 3.21Å; I2335-A2337 PolarHBondContact O-N 2.79Å; I2335-H2338 WeakPolarHBondContact O-CB 3.45Å; I2335-H2338 PolarHBondContact O-N 3.13Å; I2335-L2339 HydrophobicContact CG2-CD1 4.22Å; I2335-L2339 HydrophobicContact CG2-CG 4.45Å; I2335-L2339 WeakPolarHBondContact O-CG 3.2Å; I2335-L2339 PolarHBondContact O-N 3.15Å |
| 2336 | R | 74.4 | Confident | 65.8 | Low | 11 Ų | 11 | 58.6 Ų | 58.6 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.5 | -44.6 | 176.3 | -157.7 | -175.7 | -151 | 132 | 12.7 | 111.6 | L2332 I2333 H2338 L2339 Q2340 L2443 N2445 D2492 | L2332-R2336 WeakPolarHBondContact O-CB 3.45Å; L2332-R2336 PolarHBondContact O-N 3.36Å; I2333-R2336 PolarHBondContact O-N 2.95Å; R2336-H2338 VanDerWaalsContact C-N 3.34Å; R2336-H2338 PolarHBondContact O-N 2.94Å; R2336-L2339 PolarHBondContact O-N 3.06Å; R2336-Q2340 WeakPolarHBondContact O-CB 3.17Å; R2336-Q2340 PolarHBondContact O-N 3.48Å; R2336-L2443 HydrophobicContact CG-CD2 3.54Å; R2336-L2443 PolarHBondContact NH2-O 3.44Å; R2336-L2443 WeakPolarHBondContact O-CD2 3.49Å; R2336-N2445 PolarHBondContact NH2-O 3.06Å; R2336-D2492 IonicContact CZ-OD1 3.82Å; R2336-D2492 IonicContact CZ-OD2 2.82Å; R2336-D2492 IonicContact NH1-OD1 3.6Å; R2336-D2492 PolarHBondContact NH1-OD1 2.98Å; R2336-D2492 IonicContact NH1-OD2 3.73Å; R2336-D2492 PolarHBondContact NH1-OD2 3.29Å; R2336-D2492 IonicContact NH2-OD1 2.75Å |
| 2337 | A | 67.2 | Low | 63 | Low | 23 Ų | 23 | 59.9 Ų | 59.9 | 19% | 0.19 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59 | -43.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I2333 Q2334 I2335 Q2340 F2341 L2487 | I2333-A2337 WeakPolarHBondContact O-CB 3.47Å; I2333-A2337 PolarHBondContact O-N 3.22Å; Q2334-A2337 PolarHBondContact O-N 3.08Å; I2335-A2337 PolarHBondContact O-N 2.79Å; A2337-Q2340 PolarHBondContact O-N 3.49Å; A2337-F2341 HydrophobicContact CB-CD2 4.46Å; A2337-F2341 WeakPolarHBondContact O-CB 3.43Å; A2337-F2341 WeakPolarHBondContact O-CD2 3.27Å; A2337-F2341 PolarHBondContact O-N 3.03Å; A2337-L2487 HydrophobicContact CB-CD1 3.71Å; A2337-L2487 HydrophobicContact CB-CD2 4.07Å |
| 2338 | H | 63.4 | Low | 60.2 | Low | 37 Ų | 37 | 61.1 Ų | 61.1 | 17% | 0.171 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.1 | -47.7 | 175.7 | -97.7 | -57.2 | 0 | 0 | 0 | 112.7 | Q2334 I2335 R2336 N2342 T2343 L2345 | Q2334-H2338 PolarHBondContact O-CD2 3.32Å; Q2334-H2338 PolarHBondContact O-N 2.84Å; I2335-H2338 WeakPolarHBondContact O-CB 3.45Å; I2335-H2338 PolarHBondContact O-N 3.13Å; R2336-H2338 VanDerWaalsContact C-N 3.34Å; R2336-H2338 PolarHBondContact O-N 2.94Å; H2338-N2342 WeakPolarHBondContact O-CA 3.26Å; H2338-N2342 PolarHBondContact O-N 3.41Å; H2338-T2343 PolarHBondContact ND1-O 3.23Å; H2338-L2345 VanDerWaalsContact CE1-CB 3.5Å; H2338-L2345 WeakPolarHBondContact CE1-CB 3.46Å; H2338-L2345 WeakPolarHBondContact NE2-CD1 3.15Å; H2338-L2345 VanDerWaalsContact NE2-CG 3.29Å; H2338-L2345 WeakPolarHBondContact NE2-CG 3.33Å |
| 2339 | L | 62.7 | Low | 57.3 | Low | 32 Ų | 32 | 68.5 Ų | 68.5 | 17% | 0.168 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -70.3 | -32.2 | -179.4 | -62.5 | -173.1 | 0 | 0 | 0 | 112.2 | I2309 I2335 R2336 Y2439 C2442 L2443 | I2309-L2339 HydrophobicContact CD1-CD2 3.71Å; I2309-L2339 HydrophobicContact CD1-CG 4.31Å; I2335-L2339 HydrophobicContact CG2-CD1 4.22Å; I2335-L2339 HydrophobicContact CG2-CG 4.45Å; I2335-L2339 WeakPolarHBondContact O-CG 3.2Å; I2335-L2339 PolarHBondContact O-N 3.15Å; R2336-L2339 PolarHBondContact O-N 3.06Å; L2339-Y2439 HydrophobicContact CD1-CD1 3.99Å; L2339-Y2439 HydrophobicContact CD1-CG 4.45Å; L2339-Y2439 HydrophobicContact CD2-CD1 3.91Å; L2339-Y2439 HydrophobicContact CD2-CG 3.84Å; L2339-C2442 HydrophobicContact CD1-CB 4.22Å; L2339-L2443 HydrophobicContact CB-CD2 3.76Å; L2339-L2443 HydrophobicContact CB-CG 4.24Å |
| 2340 | Q | 57.8 | Low | 54.3 | Low | 99 Ų | 99 | 74.8 Ų | 74.8 | 46% | 0.463 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -82.1 | -36.1 | -177.5 | -169.9 | 170.2 | 3.4 | 0 | 0 | 113.8 | R2336 A2337 L2443 | R2336-Q2340 WeakPolarHBondContact O-CB 3.17Å; R2336-Q2340 PolarHBondContact O-N 3.48Å; A2337-Q2340 PolarHBondContact O-N 3.49Å; Q2340-L2443 HydrophobicContact CB-CD1 4.02Å; Q2340-L2443 HydrophobicContact CB-CD2 3.92Å; Q2340-L2443 HydrophobicContact CG-CD1 4.36Å |
| 2341 | F | 52.6 | Low | 51.4 | Low | 127 Ų | 127 | 80.7 Ų | 80.7 | 56% | 0.557 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -100.8 | -13.2 | -178.2 | -64.4 | -60.2 | 0 | 0 | 0 | 114.5 | A2337 T2343 L2487 | A2337-F2341 HydrophobicContact CB-CD2 4.46Å; A2337-F2341 WeakPolarHBondContact O-CB 3.43Å; A2337-F2341 WeakPolarHBondContact O-CD2 3.27Å; A2337-F2341 PolarHBondContact O-N 3.03Å; F2341-T2343 PolarHBondContact O-N 3.06Å; F2341-T2343 VanDerWaalsContact O-N 3.1Å; F2341-L2487 HydrophobicContact CE2-CD2 4.04Å |
| 2342 | N | 45.2 | Very low | 48.5 | Very low | 138 Ų | 138 | 83.6 Ų | 83.6 | 74% | 0.738 | 46% | 0.462 | S | S | * | . | trans | 56.8 | 27.6 | 173.5 | -140.7 | -11.7 | 0 | 0 | 0 | 113.6 | H2338 | H2338-N2342 WeakPolarHBondContact O-CA 3.26Å; H2338-N2342 PolarHBondContact O-N 3.41Å | ||
| 2343 | T | 33.7 | Very low | 45.7 | Very low | 82 Ų | 82 | 88 Ų | 88 | 50% | 0.503 | 49% | 0.492 | S | S | . | . | trans | -98.7 | 146.7 | -178 | 41.5 | 0 | 0 | 0 | 0 | 112 | H2338 F2341 | H2338-T2343 PolarHBondContact ND1-O 3.23Å; F2341-T2343 PolarHBondContact O-N 3.06Å; F2341-T2343 VanDerWaalsContact O-N 3.1Å | ||
| 2344 | S | 34.3 | Very low | 42.9 | Very low | 110 Ų | 110 | 93 Ų | 93 | 77% | 0.769 | 52% | 0.524 | S | S | * | . | trans | -61.7 | 135.3 | 165.5 | 52.3 | 0 | 0 | 0 | 0 | 110.3 | P2346 | S2344-P2346 VanDerWaalsContact O-CD 3.25Å; S2344-P2346 WeakPolarHBondContact O-CD 3.25Å; S2344-P2346 VanDerWaalsContact O-N 3.15Å | ||
| 2345 | L | 28.6 | Very low | 40.4 | Very low | 69 Ų | 69 | 95 Ų | 95 | 36% | 0.361 | 54% | 0.54 | S | S | . | . | trans | -53.5 | 114.3 | -174.6 | -156 | 165 | 0 | 0 | 0 | 111 | P2308 H2338 L2347 | P2308-L2345 HydrophobicContact CB-CD1 4.09Å; H2338-L2345 VanDerWaalsContact CE1-CB 3.5Å; H2338-L2345 WeakPolarHBondContact CE1-CB 3.46Å; H2338-L2345 WeakPolarHBondContact NE2-CD1 3.15Å; H2338-L2345 VanDerWaalsContact NE2-CG 3.29Å; H2338-L2345 WeakPolarHBondContact NE2-CG 3.33Å; L2345-L2347 HydrophobicContact CD2-CG 4.22Å; L2345-L2347 PolarHBondContact O-N 3.05Å | ||
| 2346 | P | 29.2 | Very low | 37.9 | Very low | 92 Ų | 92 | 105.5 Ų | 105.5 | 60% | 0.597 | 59% | 0.586 | S | S | * | * | trans | -70.5 | 100.2 | 169 | -10 | 26.6 | 0 | 0 | 0 | 107.6 | S2344 T2348 | S2344-P2346 VanDerWaalsContact O-CD 3.25Å; S2344-P2346 WeakPolarHBondContact O-CD 3.25Å; S2344-P2346 VanDerWaalsContact O-N 3.15Å; P2346-T2348 PolarHBondContact O-N 2.77Å | ||
| 2347 | L | 28.2 | Very low | 35.5 | Very low | 158 Ų | 158 | 109.5 Ų | 109.5 | 83% | 0.827 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -67.8 | 67.3 | 172.9 | -100.1 | 159.3 | 0 | 0 | 0 | 109.5 | L2345 | L2345-L2347 HydrophobicContact CD2-CG 4.22Å; L2345-L2347 PolarHBondContact O-N 3.05Å |
| 2348 | T | 24.3 | Very low | 33.6 | Very low | 116 Ų | 116 | 113.3 Ų | 113.3 | 71% | 0.712 | 64% | 0.641 | S | S | * | * | trans | -158.2 | 22.7 | -169 | -24 | 0 | 0 | 0 | 0 | 114.4 | P2346 | P2346-T2348 PolarHBondContact O-N 2.77Š| ||
| 2349 | I | 25.9 | Very low | 31.7 | Very low | 156 Ų | 156 | 120.6 Ų | 120.6 | 80% | 0.8 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -129 | 59.4 | 161.8 | -44 | -177.7 | 0 | 0 | 0 | 110.9 | ||
| 2350 | T | 23.6 | Very low | 30.1 | Very low | 131 Ų | 131 | 124.2 Ų | 124.2 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -141.4 | 47.6 | 159.2 | 55.5 | 0 | 0 | 0 | 0 | 111.3 | ||
| 2351 | Q | 23.7 | Very low | 28.7 | Very low | 180 Ų | 180 | 127 Ų | 127 | 84% | 0.841 | 72% | 0.72 | S | S | * | * | trans | -160.2 | 58.9 | 162 | -120.5 | 173.8 | 27.8 | 0 | 0 | 115.3 | ||||
| 2352 | S | 24.4 | Very low | 28 | Very low | 107 Ų | 107 | 126.1 Ų | 126.1 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | trans | -151.1 | 82.8 | 147.8 | 44.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 2353 | C | 24.8 | Very low | 28 | Very low | 94 Ų | 94 | 124.9 Ų | 124.9 | 64% | 0.635 | 73% | 0.727 | S | S | * | * | 55.2 | 84 | 77.3 | -52 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 2354 | T | 24.5 | Very low | 28.1 | Very low | 118 Ų | 118 | 126.2 Ų | 126.2 | 72% | 0.724 | 74% | 0.737 | S | S | * | * | 76.4 | 138 | 80.4 | 60.3 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 2355 | T | 25.5 | Very low | 27.9 | Very low | 110 Ų | 110 | 125.9 Ų | 125.9 | 68% | 0.675 | 74% | 0.735 | S | S | * | * | trans | 55.3 | 124.5 | 148.5 | 52.4 | 0 | 0 | 0 | 0 | 119.5 | S2357 | T2355-S2357 VanDerWaalsContact C-N 3.31Å; T2355-S2357 PolarHBondContact O-N 3.41Å | ||
| 2356 | F | 22 | Very low | 27.9 | Very low | 226 Ų | 226 | 127.4 Ų | 127.4 | 99% | 0.991 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -60.6 | 90.6 | 151.3 | -101 | -82.2 | 0 | 0 | 0 | 110.3 | ||
| 2357 | S | 24.4 | Very low | 27.8 | Very low | 94 Ų | 94 | 128 Ų | 128 | 66% | 0.657 | 76% | 0.758 | S | S | * | * | trans | -170.7 | 114.8 | 159 | 55.1 | 0 | 0 | 0 | 0 | 110.1 | T2355 | T2355-S2357 VanDerWaalsContact C-N 3.31Å; T2355-S2357 PolarHBondContact O-N 3.41Å | ||
| 2358 | S | 26 | Very low | 27.8 | Very low | 103 Ų | 103 | 125.2 Ų | 125.2 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | trans | -85.3 | 126.3 | 176.4 | 52.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2359 | Q | 25.1 | Very low | 28.2 | Very low | 191 Ų | 191 | 125.1 Ų | 125.1 | 89% | 0.893 | 75% | 0.751 | S | S | * | * | trans | 64.7 | 138.3 | 156.3 | -54.2 | 169.3 | 4.5 | 0 | 0 | 115.3 | ||||
| 2360 | S | 29.1 | Very low | 28.3 | Very low | 108 Ų | 108 | 122 Ų | 122 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | cis | -157.8 | 146 | 25.8 | 55.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 2361 | L | 28 | Very low | 28.3 | Very low | 157 Ų | 157 | 120.2 Ų | 120.2 | 82% | 0.822 | 74% | 0.735 | S | S | * | * | 1.9 | 154.4 | 121 | -84.7 | 167.9 | 0 | 0 | 0 | 118.7 | |||||
| 2362 | P | 37.7 | Very low | 28.5 | Very low | 109 Ų | 109 | 115.6 Ų | 115.6 | 71% | 0.708 | 72% | 0.723 | S | S | * | * | cis | -138.6 | -135.9 | 10.3 | 49.9 | -29.6 | 0 | 0 | 0 | 113.2 | ||||
| 2363 | P | 45.3 | Very low | 28.7 | Very low | 112 Ų | 112 | 113.4 Ų | 113.4 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | trans | -100.9 | -168.5 | -158.4 | 6.7 | 24.1 | 0 | 0 | 0 | 110.9 | ||||
| 2364 | P | 34.9 | Very low | 29.4 | Very low | 109 Ų | 109 | 113.4 Ų | 113.4 | 71% | 0.708 | 71% | 0.709 | S | S | * | * | cis | -140.1 | -153.5 | 22.6 | 43.7 | -22.4 | 0 | 0 | 0 | 113.8 | ||||
| 2365 | S | 29.9 | Very low | 29.7 | Very low | 104 Ų | 104 | 111.5 Ų | 111.5 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | trans | 56.7 | 121.2 | 159.1 | 52.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 2366 | S | 28.6 | Very low | 29.6 | Very low | 101 Ų | 101 | 112.1 Ų | 112.1 | 71% | 0.706 | 70% | 0.697 | S | S | * | * | cis | -168.6 | -173.7 | 5.1 | 50.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 2367 | S | 27.4 | Very low | 29.8 | Very low | 105 Ų | 105 | 107.2 Ų | 107.2 | 73% | 0.734 | 69% | 0.686 | S | S | * | * | trans | 49.5 | 102.3 | 149.6 | 55 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 2368 | S | 29.2 | Very low | 29.8 | Very low | 98 Ų | 98 | 107.6 Ų | 107.6 | 69% | 0.685 | 69% | 0.688 | S | S | * | * | cis | -165.2 | 170.3 | 9.4 | 61.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 2369 | T | 33.2 | Very low | 29.8 | Very low | 114 Ų | 114 | 109.9 Ų | 109.9 | 70% | 0.699 | 69% | 0.691 | S | S | * | * | trans | 48.9 | 90.7 | 149.8 | 49.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 2370 | S | 26.7 | Very low | 29.7 | Very low | 90 Ų | 90 | 103.4 Ų | 103.4 | 63% | 0.629 | 68% | 0.675 | S | S | * | * | 57.2 | 111.4 | 73 | 91.6 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 2371 | S | 24.9 | Very low | 29.4 | Very low | 94 Ų | 94 | 104.6 Ų | 104.6 | 66% | 0.657 | 68% | 0.679 | S | S | * | * | 111 | -161 | 74.5 | 58.9 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 2372 | S | 26.8 | Very low | 29.4 | Very low | 83 Ų | 83 | 102.6 Ų | 102.6 | 58% | 0.58 | 67% | 0.673 | S | S | * | * | trans | 51.9 | 116.4 | 139.7 | 57.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 2373 | S | 29.5 | Very low | 28.9 | Very low | 61 Ų | 61 | 102.8 Ų | 102.8 | 43% | 0.427 | 67% | 0.672 | S | S | . | * | cis | -161.5 | 140.8 | -2.3 | 7.6 | 0 | 0 | 0 | 0 | 114.3 | D2297 P2375 | D2297-S2373 WeakPolarHBondContact OD2-CB 3.43Å; D2297-S2373 PolarHBondContact OD2-N 2.82Å; D2297-S2373 PolarHBondContact OD2-OG 3.3Å; S2373-P2375 WeakPolarHBondContact O-CD 3.18Å | ||
| 2374 | S | 38.1 | Very low | 28.1 | Very low | 95 Ų | 95 | 104.7 Ų | 104.7 | 66% | 0.664 | 68% | 0.675 | S | S | * | * | -74.9 | 117.5 | 124.9 | 55.4 | 0 | 0 | 0 | 0 | 109.3 | L2376 | S2374-L2376 WeakPolarHBondContact O-CB 3.39Š| |||
| 2375 | P | 30.7 | Very low | 27.9 | Very low | 78 Ų | 78 | 104.4 Ų | 104.4 | 51% | 0.506 | 67% | 0.673 | S | S | . | * | trans | -121.8 | 92.4 | 153.5 | 30.4 | -10.6 | 0 | 0 | 0 | 107.1 | T2298 S2373 | T2298-P2375 HydrophobicContact CG2-CG 4.46Å; S2373-P2375 WeakPolarHBondContact O-CD 3.18Å | ||
| 2376 | L | 24.2 | Very low | 27.6 | Very low | 123 Ų | 123 | 104 Ų | 104 | 64% | 0.644 | 67% | 0.67 | S | S | * | * | cis | 52.6 | 133.3 | 31.9 | -133.8 | -164.9 | 0 | 0 | 0 | 111.7 | S2374 | S2374-L2376 WeakPolarHBondContact O-CB 3.39Š| ||
| 2377 | T | 25.8 | Very low | 27.5 | Very low | 122 Ų | 122 | 103.3 Ų | 103.3 | 75% | 0.748 | 67% | 0.665 | S | S | * | * | trans | 64.2 | 141.6 | -176.6 | 76.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 2378 | S | 24.8 | Very low | 27.5 | Very low | 102 Ų | 102 | 105.5 Ų | 105.5 | 71% | 0.713 | 67% | 0.667 | S | S | * | * | cis | -162.9 | -178.9 | -13.3 | 44.3 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 2379 | I | 25.4 | Very low | 27.4 | Very low | 151 Ų | 151 | 107.9 Ų | 107.9 | 77% | 0.774 | 67% | 0.668 | S | S | * | * | cis | -143 | 140.6 | 18.6 | -58.1 | 166.7 | 0 | 0 | 0 | 104.2 | ||||
| 2380 | G | 24.2 | Very low | 27.1 | Very low | 55 Ų | 55 | 107.5 Ų | 107.5 | 57% | 0.567 | 67% | 0.665 | S | S | * | * | cis | 108.5 | 148.6 | 25.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 2381 | T | 22.8 | Very low | 27.1 | Very low | 134 Ų | 134 | 110.7 Ų | 110.7 | 82% | 0.822 | 67% | 0.67 | S | S | * | * | trans | 60.7 | 135.2 | 179.3 | 69.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 2382 | T | 27 | Very low | 27.2 | Very low | 114 Ų | 114 | 112.6 Ų | 112.6 | 70% | 0.699 | 67% | 0.671 | S | S | * | * | cis | -156.1 | 166.7 | 40.9 | 47.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 2383 | T | 27.4 | Very low | 27.1 | Very low | 113 Ų | 113 | 113.2 Ų | 113.2 | 69% | 0.693 | 68% | 0.676 | S | S | * | * | trans | 60.5 | 136.7 | 152.6 | 50.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 2384 | I | 27.7 | Very low | 27 | Very low | 153 Ų | 153 | 115.1 Ų | 115.1 | 79% | 0.785 | 69% | 0.689 | S | S | * | * | cis | 52.3 | 94.8 | 6.1 | -51.4 | -179.9 | 0 | 0 | 0 | 113.8 | ||||
| 2385 | P | 32.1 | Very low | 26.4 | Very low | 102 Ų | 102 | 118.2 Ų | 118.2 | 66% | 0.662 | 69% | 0.693 | S | S | * | * | -122.1 | 144.1 | 100.5 | 2.1 | 19.7 | 0 | 0 | 0 | 110.2 | |||||
| 2386 | S | 24 | Very low | 26.3 | Very low | 96 Ų | 96 | 120.7 Ų | 120.7 | 67% | 0.671 | 70% | 0.701 | S | S | * | * | 64.2 | 144.3 | 51.7 | 88.8 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 2387 | S | 26.6 | Very low | 26.5 | Very low | 87 Ų | 87 | 120 Ų | 120 | 61% | 0.608 | 70% | 0.698 | S | S | * | * | cis | -162.9 | 167.1 | 37.6 | -39.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 2388 | I | 27.3 | Very low | 26.7 | Very low | 151 Ų | 151 | 122.1 Ų | 122.1 | 77% | 0.774 | 70% | 0.697 | S | S | * | * | trans | 74.5 | 132.6 | 145.9 | -72.5 | 159.5 | 0 | 0 | 0 | 117.8 | ||||
| 2389 | Q | 25.3 | Very low | 26.8 | Very low | 148 Ų | 148 | 124.4 Ų | 124.4 | 69% | 0.692 | 70% | 0.701 | S | S | * | * | cis | -168.5 | 166 | -18.5 | -156.4 | 167.5 | -62.6 | 0 | 0 | 110.2 | ||||
| 2390 | T | 27.9 | Very low | 27.1 | Very low | 105 Ų | 105 | 126.6 Ų | 126.6 | 64% | 0.644 | 71% | 0.708 | S | S | * | * | trans | 65.6 | 148 | 163.4 | 58.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 2391 | Q | 26.6 | Very low | 27.4 | Very low | 157 Ų | 157 | 130.9 Ų | 130.9 | 73% | 0.734 | 72% | 0.717 | S | S | * | * | cis | -163.6 | 145.6 | -13.4 | -114 | 174.8 | -23.2 | 0 | 0 | 111.6 | ||||
| 2392 | I | 26.4 | Very low | 27.4 | Very low | 134 Ų | 134 | 131.1 Ų | 131.1 | 69% | 0.687 | 71% | 0.713 | S | S | * | * | trans | 57.6 | 141.2 | 136.2 | -64.1 | 166 | 0 | 0 | 0 | 121.9 | ||||
| 2393 | S | 25.5 | Very low | 27.3 | Very low | 96 Ų | 96 | 130.6 Ų | 130.6 | 67% | 0.671 | 71% | 0.714 | S | S | * | * | trans | 63 | 134 | 165.6 | 51.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 2394 | S | 26.5 | Very low | 27.2 | Very low | 102 Ų | 102 | 132.1 Ų | 132.1 | 71% | 0.713 | 72% | 0.718 | S | S | * | * | cis | 74.7 | 144.2 | 42.2 | 88.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 2395 | E | 25.9 | Very low | 27.1 | Very low | 160 Ų | 160 | 131.5 Ų | 131.5 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | cis | -165 | 178.8 | 17.4 | -145.7 | -178.3 | 165.9 | 0 | 0 | 111.3 | ||||
| 2396 | I | 29 | Very low | 26.9 | Very low | 130 Ų | 130 | 132.6 Ų | 132.6 | 67% | 0.667 | 72% | 0.722 | S | S | * | * | trans | 67.4 | 136.3 | 152.6 | -68.2 | 164.2 | 0 | 0 | 0 | 117.9 | ||||
| 2397 | N | 27.9 | Very low | 27 | Very low | 109 Ų | 109 | 134.5 Ų | 134.5 | 58% | 0.583 | 72% | 0.724 | S | S | * | * | cis | -165 | 149.7 | -20.8 | -112.4 | -32.3 | 0 | 0 | 0 | 110.8 | ||||
| 2398 | K | 30.1 | Very low | 27 | Very low | 166 Ų | 166 | 137.7 Ų | 137.7 | 72% | 0.722 | 73% | 0.729 | S | S | * | * | trans | 37.2 | 145.1 | 135.3 | -59.4 | 165.5 | -173 | 172.4 | 0 | 121.8 | ||||
| 2399 | N | 28.3 | Very low | 26.9 | Very low | 150 Ų | 150 | 136.9 Ų | 136.9 | 80% | 0.802 | 73% | 0.725 | S | S | * | * | cis | -164.5 | 149.1 | -18.3 | -107 | -1.9 | 0 | 0 | 0 | 107 | ||||
| 2400 | Q | 31.7 | Very low | 26.9 | Very low | 197 Ų | 197 | 137.8 Ų | 137.8 | 92% | 0.921 | 73% | 0.729 | S | S | * | * | trans | -98.7 | 152.9 | -169.3 | -77.8 | -179.2 | -46.8 | 0 | 0 | 115.6 | ||||
| 2401 | L | 28.9 | Very low | 26.6 | Very low | 145 Ų | 145 | 139.7 Ų | 139.7 | 76% | 0.759 | 73% | 0.734 | S | S | * | * | trans | -85.1 | 144 | 153.8 | -77.9 | 74 | 0 | 0 | 0 | 110.3 | ||||
| 2402 | D | 24.5 | Very low | 26.4 | Very low | 138 Ų | 138 | 140.7 Ų | 140.7 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | trans | 35.4 | 129.3 | 132.7 | -48.9 | -38.2 | 0 | 0 | 0 | 123.3 | ||||
| 2403 | S | 23.9 | Very low | 26.3 | Very low | 104 Ų | 104 | 139.4 Ų | 139.4 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | trans | 88 | 109.7 | 137.4 | 73.3 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 2404 | N | 24.9 | Very low | 26.2 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | trans | 68.1 | 124.9 | 132.2 | -62.9 | -13.1 | 0 | 0 | 0 | 125.7 | ||||
| 2405 | N | 26.6 | Very low | 26.2 | Very low | 141 Ų | 141 | 142.3 Ų | 142.3 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | trans | 86.5 | 159.5 | 140.1 | -72 | -15.1 | 0 | 0 | 0 | 123.7 | ||||
| 2406 | T | 27.1 | Very low | 26.1 | Very low | 125 Ų | 125 | 142.7 Ų | 142.7 | 77% | 0.767 | 75% | 0.747 | S | S | * | * | trans | 77.8 | 148.6 | 176 | 71.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 2407 | N | 26.6 | Very low | 26 | Very low | 136 Ų | 136 | 142.9 Ų | 142.9 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | cis | -161.2 | 157.2 | -12.1 | -107.5 | -6.5 | 0 | 0 | 0 | 114.5 | ||||
| 2408 | H | 25.7 | Very low | 26.1 | Very low | 154 Ų | 154 | 140.7 Ų | 140.7 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | trans | 59.8 | 119.8 | 145.1 | -81.8 | -117.2 | 0 | 0 | 0 | 127.7 | ||||
| 2409 | I | 25.7 | Very low | 26.1 | Very low | 133 Ų | 133 | 141 Ų | 141 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | 67.6 | 131 | 120.5 | -66.4 | -172.1 | 0 | 0 | 0 | 125.9 | |||||
| 2410 | Q | 24.8 | Very low | 25.9 | Very low | 167 Ų | 167 | 140.3 Ų | 140.3 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | trans | 78.4 | 130.3 | 153 | -93.7 | 175.4 | -50 | 0 | 0 | 126.5 | ||||
| 2411 | L | 22.1 | Very low | 25.6 | Very low | 145 Ų | 145 | 138.1 Ų | 138.1 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | trans | 59.8 | 135.1 | 143.5 | -77.5 | 165.8 | 0 | 0 | 0 | 124.7 | ||||
| 2412 | Q | 21.6 | Very low | 25.4 | Very low | 179 Ų | 179 | 138.9 Ų | 138.9 | 84% | 0.836 | 75% | 0.751 | S | S | * | * | trans | 64.4 | 157.8 | 161.2 | -82 | -175.2 | -29.9 | 0 | 0 | 120.3 | ||||
| 2413 | S | 26.1 | Very low | 25.4 | Very low | 107 Ų | 107 | 144 Ų | 144 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | 59 | 123.6 | -179.9 | 46.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 2414 | T | 22.6 | Very low | 25.5 | Very low | 120 Ų | 120 | 148.8 Ų | 148.8 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | cis | 89.6 | 130.1 | 40.7 | 61.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 2415 | I | 25.7 | Very low | 25.4 | Very low | 139 Ų | 139 | 148.3 Ų | 148.3 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | trans | 73.5 | 111.8 | 157.3 | -70.7 | 159.8 | 0 | 0 | 0 | 114.3 | ||||
| 2416 | E | 24.4 | Very low | 25.3 | Very low | 167 Ų | 167 | 150.5 Ų | 150.5 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | 66.9 | 130.5 | 66.9 | -64.5 | 178.8 | 143.3 | 0 | 0 | 111.8 | |||||
| 2417 | T | 26.8 | Very low | 25 | Very low | 135 Ų | 135 | 152.2 Ų | 152.2 | 83% | 0.828 | 77% | 0.766 | S | S | * | * | cis | -150.7 | 177.1 | 19.3 | 43 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 2418 | G | 29.3 | Very low | 24.8 | Very low | 62 Ų | 62 | 153.4 Ų | 153.4 | 64% | 0.639 | 77% | 0.772 | S | S | * | * | S | Bend | trans | 108 | 105.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | I2420 | G2418-I2420 PolarHBondContact O-N 2.76Š|
| 2419 | N | 30.5 | Very low | 24.8 | Very low | 174 Ų | 174 | 154.2 Ų | 154.2 | 93% | 0.93 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 52.1 | 50.5 | 168.4 | -64.5 | -5.8 | 0 | 0 | 0 | 117.2 | ||
| 2420 | I | 25.4 | Very low | 24.7 | Very low | 135 Ų | 135 | 153.4 Ų | 153.4 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | trans | -38.7 | 137.9 | 154.9 | -63.9 | 168.5 | 0 | 0 | 0 | 110.9 | G2418 | G2418-I2420 PolarHBondContact O-N 2.76Š| ||
| 2421 | K | 25.5 | Very low | 24.8 | Very low | 150 Ų | 150 | 152.4 Ų | 152.4 | 65% | 0.652 | 78% | 0.778 | S | S | * | * | cis | -154 | 155.6 | 43.1 | -141.6 | 143.5 | -157 | 171.2 | 0 | 113.1 | ||||
| 2422 | M | 23.7 | Very low | 24.9 | Very low | 161 Ų | 161 | 156.8 Ų | 156.8 | 79% | 0.793 | 79% | 0.785 | S | S | * | * | trans | -46.4 | 163.8 | 172.5 | -63.8 | 162 | 149.4 | 0 | 0 | 116.2 | R2424 | M2422-R2424 VanDerWaalsContact O-CG 3.26Å; M2422-R2424 WeakPolarHBondContact O-CG 3.31Å; M2422-R2424 PolarHBondContact O-N 2.75Å | ||
| 2423 | R | 24.2 | Very low | 25.1 | Very low | 245 Ų | 245 | 153.3 Ų | 153.3 | 93% | 0.925 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -37.9 | 104.4 | 144.5 | -64.7 | 168.6 | 173.5 | 151.5 | -5.6 | 109.1 | N2425 | R2423-N2425 PolarHBondContact O-N 2.75Š|
| 2424 | R | 27.2 | Very low | 25 | Very low | 205 Ų | 205 | 152.5 Ų | 152.5 | 77% | 0.774 | 79% | 0.787 | S | S | * | * | trans | -79.4 | 79.8 | -166.8 | -69 | -166.2 | 177.5 | 84.9 | -5 | 112.5 | M2422 | M2422-R2424 VanDerWaalsContact O-CG 3.26Å; M2422-R2424 WeakPolarHBondContact O-CG 3.31Å; M2422-R2424 PolarHBondContact O-N 2.75Å | ||
| 2425 | N | 22.6 | Very low | 25.2 | Very low | 134 Ų | 134 | 149 Ų | 149 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | trans | -101.3 | 145.3 | 179.5 | -155.3 | -11.6 | 0 | 0 | 0 | 111.2 | R2423 | R2423-N2425 PolarHBondContact O-N 2.75Š| ||
| 2426 | K | 23.1 | Very low | 25.4 | Very low | 187 Ų | 187 | 148.1 Ų | 148.1 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 65.4 | 157.9 | 170.1 | -62.4 | -172.2 | 176.7 | -178.4 | 0 | 119.5 | ||
| 2427 | L | 22.4 | Very low | 25.6 | Very low | 161 Ų | 161 | 148 Ų | 148 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | trans | -58.6 | 139.1 | 174.8 | -82.1 | 62.7 | 0 | 0 | 0 | 112.3 | ||||
| 2428 | N | 22.2 | Very low | 25.9 | Very low | 161 Ų | 161 | 142.6 Ų | 142.6 | 86% | 0.861 | 73% | 0.73 | S | S | * | * | -152.8 | 147 | 110.7 | -96.5 | -25.2 | 0 | 0 | 0 | 109.4 | |||||
| 2429 | Q | 25.3 | Very low | 26.1 | Very low | 171 Ų | 171 | 142.1 Ų | 142.1 | 80% | 0.799 | 71% | 0.709 | S | S | * | * | trans | -69.6 | 153.4 | 172.1 | -64.1 | -177.3 | -9.8 | 0 | 0 | 109.8 | ||||
| 2430 | P | 23.8 | Very low | 26.2 | Very low | 117 Ų | 117 | 138 Ų | 138 | 76% | 0.76 | 69% | 0.691 | S | S | * | * | -137.1 | 118.1 | 91.6 | 34.5 | -21.1 | 0 | 0 | 0 | 114.3 | R2432 | P2430-R2432 PolarHBondContact O-N 3.26Š| |||
| 2431 | I | 26.2 | Very low | 26.7 | Very low | 146 Ų | 146 | 133.5 Ų | 133.5 | 75% | 0.749 | 67% | 0.674 | S | S | * | * | trans | 36.2 | 78.2 | 141.9 | -41.1 | 175.4 | 0 | 0 | 0 | 117 | ||||
| 2432 | R | 24.2 | Very low | 27.2 | Very low | 237 Ų | 237 | 126.9 Ų | 126.9 | 89% | 0.894 | 65% | 0.647 | S | S | * | * | trans | -174.5 | 151.2 | 143 | -106.9 | 157.9 | 178.7 | 178 | -2.1 | 114.3 | P2430 | P2430-R2432 PolarHBondContact O-N 3.26Š| ||
| 2433 | C | 26 | Very low | 28.1 | Very low | 105 Ų | 105 | 121 Ų | 121 | 71% | 0.709 | 62% | 0.618 | S | S | * | * | trans | 45.4 | 81.3 | 165.1 | -58.6 | 0 | 0 | 0 | 0 | 118.9 | S2435 | C2433-S2435 VanDerWaalsContact C-N 3.31Å; C2433-S2435 PolarHBondContact O-N 3.09Å; C2433-S2435 VanDerWaalsContact O-N 3.12Å | ||
| 2434 | G | 25 | Very low | 29.2 | Very low | 90 Ų | 90 | 114.6 Ų | 114.6 | 93% | 0.928 | 60% | 0.599 | S | S | * | * | trans | -79.7 | 73.4 | 160.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 2435 | S | 26.4 | Very low | 30.5 | Very low | 47 Ų | 47 | 108.3 Ų | 108.3 | 33% | 0.329 | 58% | 0.58 | S | S | . | * | trans | -154.2 | 54.5 | -170.3 | 65.1 | 0 | 0 | 0 | 0 | 113.9 | C2433 Y2439 | C2433-S2435 VanDerWaalsContact C-N 3.31Å; C2433-S2435 PolarHBondContact O-N 3.09Å; C2433-S2435 VanDerWaalsContact O-N 3.12Å; S2435-Y2439 VanDerWaalsContact O-CE2 3.3Å; S2435-Y2439 WeakPolarHBondContact O-CE2 3.38Å | ||
| 2436 | I | 29.1 | Very low | 33 | Very low | 120 Ų | 120 | 102.6 Ų | 102.6 | 62% | 0.615 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -127.5 | -42.6 | 175.4 | -67.1 | -177 | 0 | 0 | 0 | 113.3 | C2438 Y2439 | I2436-C2438 PolarHBondContact O-N 3.3Å; I2436-Y2439 PolarHBondContact O-N 3.1Å |
| 2437 | E | 29.2 | Very low | 35.7 | Very low | 166 Ų | 166 | 93.9 Ų | 93.9 | 78% | 0.776 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -18 | 172.9 | -66.6 | 176.4 | 148 | 0 | 0 | 113.1 | T2440 | E2437-T2440 PolarHBondContact O-OG1 3.03Å; E2437-T2440 VanDerWaalsContact O-OG1 3.09Å |
| 2438 | C | 33 | Very low | 38.6 | Very low | 20 Ų | 20 | 86.7 Ų | 86.7 | 14% | 0.135 | 48% | 0.475 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -54.8 | 167.3 | -58.8 | 0 | 0 | 0 | 0 | 112.2 | V2266 M2267 I2436 T2440 A2441 | V2266-C2438 HydrophobicContact CG1-CB 4.31Å; M2267-C2438 HydrophobicContact CE-CB 3.75Å; M2267-C2438 WeakPolarHBondContact CE-O 3.23Å; M2267-C2438 VanDerWaalsContact CG-CA 3.42Å; M2267-C2438 HydrophobicContact CG-CB 3.57Å; M2267-C2438 WeakPolarHBondContact CG-O 3.42Å; M2267-C2438 HydrophobicContact SD-CB 4.19Å; I2436-C2438 PolarHBondContact O-N 3.3Å; C2438-T2440 PolarHBondContact O-N 3.46Å; C2438-A2441 WeakPolarHBondContact O-CB 3.2Å; C2438-A2441 PolarHBondContact O-N 2.89Å |
| 2439 | Y | 32.6 | Very low | 41.1 | Very low | 52 Ų | 52 | 88 Ų | 88 | 20% | 0.204 | 47% | 0.468 | C | S | . | . | G | 310 helix | trans | -64.9 | -19.9 | -159.9 | -74.3 | -69.5 | 0 | 0 | 0 | 115.5 | M2267 L2339 S2435 I2436 A2441 C2442 | M2267-Y2439 HydrophobicContact CE-CD1 4.22Å; L2339-Y2439 HydrophobicContact CD1-CD1 3.99Å; L2339-Y2439 HydrophobicContact CD1-CG 4.45Å; L2339-Y2439 HydrophobicContact CD2-CD1 3.91Å; L2339-Y2439 HydrophobicContact CD2-CG 3.84Å; S2435-Y2439 VanDerWaalsContact O-CE2 3.3Å; S2435-Y2439 WeakPolarHBondContact O-CE2 3.38Å; I2436-Y2439 PolarHBondContact O-N 3.1Å; Y2439-A2441 PolarHBondContact O-N 3.27Å; Y2439-C2442 PolarHBondContact O-N 2.68Å |
| 2440 | T | 33 | Very low | 43.6 | Very low | 87 Ų | 87 | 80.9 Ų | 80.9 | 53% | 0.534 | 44% | 0.435 | S | S | . | . | G | 310 helix | trans | -63.1 | -24.6 | 172 | 31.9 | 0 | 0 | 0 | 0 | 113.9 | E2437 C2438 L2443 | E2437-T2440 PolarHBondContact O-OG1 3.03Å; E2437-T2440 VanDerWaalsContact O-OG1 3.09Å; C2438-T2440 PolarHBondContact O-N 3.46Å; T2440-L2443 HydrophobicContact CG2-CD1 4.36Å; T2440-L2443 WeakPolarHBondContact O-CB 3.43Å; T2440-L2443 PolarHBondContact O-N 2.74Å |
| 2441 | A | 35.9 | Very low | 46.4 | Very low | 42 Ų | 42 | 75.3 Ų | 75.3 | 35% | 0.347 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -68.6 | -33.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | M2267 C2438 Y2439 L2443 E2444 | M2267-A2441 HydrophobicContact CB-CB 3.67Å; M2267-A2441 HydrophobicContact CG-CB 3.72Å; M2267-A2441 HydrophobicContact SD-CB 4.29Å; C2438-A2441 WeakPolarHBondContact O-CB 3.2Å; C2438-A2441 PolarHBondContact O-N 2.89Å; Y2439-A2441 PolarHBondContact O-N 3.27Å; A2441-L2443 PolarHBondContact O-N 3.22Å; A2441-E2444 PolarHBondContact O-N 2.74Å |
| 2442 | C | 36.9 | Very low | 49 | Very low | 11 Ų | 11 | 69.8 Ų | 69.8 | 7% | 0.074 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -67.3 | -19.6 | 175.9 | -73.9 | 0 | 0 | 0 | 0 | 112.7 | M2267 L2339 Y2439 E2444 N2445 | M2267-C2442 VanDerWaalsContact CE-SG 3.59Å; L2339-C2442 HydrophobicContact CD1-CB 4.22Å; Y2439-C2442 PolarHBondContact O-N 2.68Å; C2442-E2444 PolarHBondContact O-N 2.91Å; C2442-N2445 PolarHBondContact O-N 2.89Å |
| 2443 | L | 42.8 | Very low | 51.4 | Low | 38 Ų | 38 | 62.2 Ų | 62.2 | 20% | 0.199 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -70.6 | -11.8 | 176.1 | -63.4 | 177.5 | 0 | 0 | 0 | 113.3 | R2336 L2339 Q2340 T2440 A2441 | R2336-L2443 HydrophobicContact CG-CD2 3.54Å; R2336-L2443 PolarHBondContact NH2-O 3.44Å; R2336-L2443 WeakPolarHBondContact O-CD2 3.49Å; L2339-L2443 HydrophobicContact CB-CD2 3.76Å; L2339-L2443 HydrophobicContact CB-CG 4.24Å; Q2340-L2443 HydrophobicContact CB-CD1 4.02Å; Q2340-L2443 HydrophobicContact CB-CD2 3.92Å; Q2340-L2443 HydrophobicContact CG-CD1 4.36Å; T2440-L2443 HydrophobicContact CG2-CD1 4.36Å; T2440-L2443 WeakPolarHBondContact O-CB 3.43Å; T2440-L2443 PolarHBondContact O-N 2.74Å; A2441-L2443 PolarHBondContact O-N 3.22Å |
| 2444 | E | 47.2 | Very low | 53.7 | Low | 110 Ų | 110 | 57.8 Ų | 57.8 | 51% | 0.514 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -101.9 | -7.1 | 180 | -47.5 | -141 | 114.4 | 0 | 0 | 113.1 | R2256 A2441 C2442 | R2256-E2444 IonicContact CZ-OE1 2.68Å; R2256-E2444 VanDerWaalsContact CZ-OE1 3.24Å; R2256-E2444 IonicContact CZ-OE2 3.67Å; R2256-E2444 IonicContact NH1-OE1 3.48Å; R2256-E2444 PolarHBondContact NH1-OE1 2.79Å; R2256-E2444 IonicContact NH1-OE2 3.24Å; R2256-E2444 PolarHBondContact NH1-OE2 3.37Å; R2256-E2444 IonicContact NH2-OE1 2.91Å; R2256-E2444 PolarHBondContact NH2-OE1 3.28Å; R2256-E2444 IonicContact NH2-OE2 2.74Å; A2441-E2444 PolarHBondContact O-N 2.74Å; C2442-E2444 PolarHBondContact O-N 2.91Å |
| 2445 | N | 54.8 | Low | 56.1 | Low | 72 Ų | 72 | 54 Ų | 54 | 39% | 0.385 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -77.8 | 153 | 177.4 | -72.7 | -24.6 | 0 | 0 | 0 | 112.2 | R2336 C2442 E2450 | R2336-N2445 PolarHBondContact NH2-O 3.06Å; C2442-N2445 PolarHBondContact O-N 2.89Å; N2445-E2450 HydrophobicContact CB-CG 3.91Å; N2445-E2450 WeakPolarHBondContact CB-OE1 3.14Å; N2445-E2450 PolarHBondContact ND2-OE1 3.15Å |
| 2446 | S | 73.1 | Confident | 58.1 | Low | 15 Ų | 15 | 53.8 Ų | 53.8 | 11% | 0.105 | 27% | 0.268 | C | S | . | . | trans | -73.8 | 121.9 | 170.2 | 176 | 0 | 0 | 0 | 0 | 110.6 | Y2448 R2449 E2450 F2491 D2492 | S2446-Y2448 PolarHBondContact O-N 3.25Å; S2446-R2449 WeakPolarHBondContact O-CA 3.12Å; S2446-R2449 PolarHBondContact O-N 2.95Å; S2446-E2450 PolarHBondContact O-N 2.9Å; S2446-F2491 WeakPolarHBondContact CB-O 3.16Å; S2446-F2491 PolarHBondContact OG-O 3.07Å; S2446-D2492 WeakPolarHBondContact CA-OD1 3.45Å | ||
| 2447 | L | 80.3 | Confident | 59.8 | Low | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.2 | -31.4 | 174.2 | -64.4 | -168.3 | 0 | 0 | 0 | 111.9 | L2329 L2332 I2333 R2449 E2450 L2451 L2488 D2492 | L2329-L2447 HydrophobicContact CD1-CB 3.82Å; L2329-L2447 HydrophobicContact CD1-CD1 3.73Å; L2329-L2447 HydrophobicContact CD1-CG 4.43Å; L2332-L2447 HydrophobicContact CB-CD1 4.31Å; L2332-L2447 HydrophobicContact CB-CD2 4.21Å; I2333-L2447 HydrophobicContact CG1-CD1 3.74Å; L2447-R2449 VanDerWaalsContact C-N 3.34Å; L2447-E2450 PolarHBondContact O-N 3.01Å; L2447-L2451 WeakPolarHBondContact O-CB 3.32Å; L2447-L2451 PolarHBondContact O-N 2.93Å; L2447-L2488 HydrophobicContact CD1-CD2 3.96Å; L2447-D2492 HydrophobicContact CB-CB 4.33Å; L2447-D2492 HydrophobicContact CG-CB 4.49Å; L2447-D2492 WeakPolarHBondContact CG-OD1 3.44Å; L2447-D2492 PolarHBondContact N-OD1 3.24Å |
| 2448 | Y | 84.7 | Confident | 61.6 | Low | 10 Ų | 10 | 46.4 Ų | 46.4 | 4% | 0.039 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.5 | -45.6 | 172.5 | 168.8 | -90.6 | 0 | 0 | 0 | 111 | S2446 L2452 F2469 D2470 Y2473 P2494 P2495 R2503 | S2446-Y2448 PolarHBondContact O-N 3.25Å; Y2448-L2452 HydrophobicContact CE1-CD2 4.06Å; Y2448-L2452 WeakPolarHBondContact O-CB 3.21Å; Y2448-L2452 PolarHBondContact O-N 3.48Å; Y2448-F2469 AromaticContact CD2-CE1 3.98Å; Y2448-F2469 HydrophobicContact CD2-CE1 3.98Å; Y2448-F2469 HydrophobicContact CD2-CZ 4.35Å; Y2448-F2469 HydrophobicContact CE2-CD1 4.11Å; Y2448-F2469 AromaticContact CE2-CE1 3.37Å; Y2448-F2469 HydrophobicContact CE2-CE1 3.37Å; Y2448-F2469 HydrophobicContact CE2-CZ 4.18Å; Y2448-F2469 AromaticContact CZ-CE1 3.87Å; Y2448-D2470 WeakPolarHBondContact CE2-OD1 3.4Å; Y2448-D2470 PolarHBondContact OH-OD1 3.25Å; Y2448-Y2473 AromaticContact CD2-CD1 3.72Å; Y2448-Y2473 HydrophobicContact CD2-CD1 3.72Å; Y2448-Y2473 HydrophobicContact CD2-CD2 4.05Å; Y2448-Y2473 AromaticContact CD2-CE1 3.99Å; Y2448-Y2473 HydrophobicContact CD2-CE1 3.99Å; Y2448-Y2473 HydrophobicContact CD2-CE2 4.31Å; Y2448-Y2473 AromaticContact CD2-CG 3.76Å; Y2448-Y2473 HydrophobicContact CD2-CG 3.76Å; Y2448-Y2473 HydrophobicContact CE2-CG 4.48Å; Y2448-Y2473 HydrophobicContact CG-CE1 4.37Å; Y2448-Y2473 PolarHBondContact N-OH 3.17Å; Y2448-Y2473 VanDerWaalsContact N-OH 3.08Å; Y2448-P2494 HydrophobicContact CD2-CB 4.21Å; Y2448-P2494 HydrophobicContact CE2-CB 4.41Å; Y2448-P2495 HydrophobicContact CE1-CG 3.86Å; Y2448-P2495 VanDerWaalsContact CE2-CD 3.5Å; Y2448-P2495 HydrophobicContact CE2-CG 4.14Å; Y2448-P2495 VanDerWaalsContact CZ-CD 3.42Å; Y2448-P2495 VanDerWaalsContact OH-CG 3.32Å; Y2448-P2495 WeakPolarHBondContact OH-CG 3.29Å; Y2448-R2503 PolarHBondContact OH-NH1 3.23Å; Y2448-R2503 PolarHBondContact OH-NH2 3.12Å |
| 2449 | R | 73.9 | Confident | 63.3 | Low | 188 Ų | 188 | 48.3 Ų | 48.3 | 71% | 0.709 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -70.5 | -41 | 178 | -67.7 | -177.5 | 175.7 | -107.6 | 2.6 | 112.3 | S2446 L2447 F2453 | S2446-R2449 WeakPolarHBondContact O-CA 3.12Å; S2446-R2449 PolarHBondContact O-N 2.95Å; L2447-R2449 VanDerWaalsContact C-N 3.34Å; R2449-F2453 WeakPolarHBondContact O-CB 3.37Å; R2449-F2453 PolarHBondContact O-N 2.96Å |
| 2450 | E | 76.6 | Confident | 64.3 | Low | 22 Ų | 22 | 48.7 Ų | 48.7 | 10% | 0.103 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66 | -42.3 | 177.2 | -63.5 | -151.2 | 153.7 | 0 | 0 | 111.6 | N2445 S2446 L2447 F2453 L2454 | N2445-E2450 HydrophobicContact CB-CG 3.91Å; N2445-E2450 WeakPolarHBondContact CB-OE1 3.14Å; N2445-E2450 PolarHBondContact ND2-OE1 3.15Å; S2446-E2450 PolarHBondContact O-N 2.9Å; L2447-E2450 PolarHBondContact O-N 3.01Å; E2450-F2453 PolarHBondContact O-N 3.23Å; E2450-L2454 WeakPolarHBondContact O-CB 3.42Å; E2450-L2454 VanDerWaalsContact O-CG 3.25Å; E2450-L2454 WeakPolarHBondContact O-CG 3.28Å; E2450-L2454 PolarHBondContact O-N 3.34Å |
| 2451 | L | 83.3 | Confident | 65.2 | Low | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.1 | -45.1 | 177.6 | -171.5 | 53.6 | 0 | 0 | 0 | 112 | L2316 I2320 M2325 A2328 L2332 L2447 F2453 L2454 I2455 F2469 Y2473 | L2316-L2451 HydrophobicContact CD1-CD1 4.29Å; I2320-L2451 HydrophobicContact CD1-CD1 3.77Å; I2320-L2451 HydrophobicContact CG1-CD1 3.85Å; M2325-L2451 HydrophobicContact CG-CD2 3.88Å; A2328-L2451 HydrophobicContact CB-CD1 3.75Å; A2328-L2451 HydrophobicContact CB-CD2 4.32Å; L2332-L2451 HydrophobicContact CD1-CB 3.61Å; L2332-L2451 HydrophobicContact CD1-CD1 3.95Å; L2332-L2451 HydrophobicContact CD1-CD2 4.48Å; L2332-L2451 HydrophobicContact CD1-CG 4.2Å; L2447-L2451 WeakPolarHBondContact O-CB 3.32Å; L2447-L2451 PolarHBondContact O-N 2.93Å; L2451-F2453 VanDerWaalsContact C-N 3.31Å; L2451-F2453 PolarHBondContact O-N 3.14Å; L2451-L2454 PolarHBondContact O-N 3.02Å; L2451-I2455 HydrophobicContact CD1-CD1 3.88Å; L2451-I2455 HydrophobicContact CD1-CG1 4.13Å; L2451-I2455 HydrophobicContact CG-CD1 3.73Å; L2451-I2455 HydrophobicContact CG-CG1 4.43Å; L2451-I2455 VanDerWaalsContact O-CG1 3.26Å; L2451-I2455 WeakPolarHBondContact O-CG1 3.45Å; L2451-I2455 PolarHBondContact O-N 3.16Å; L2451-F2469 HydrophobicContact CG-CE2 4.35Å; L2451-Y2473 HydrophobicContact CD2-CD2 3.98Å; L2451-Y2473 HydrophobicContact CD2-CE2 4.04Å |
| 2452 | L | 81.7 | Confident | 66.1 | Low | 29 Ų | 29 | 58.3 Ų | 58.3 | 15% | 0.152 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.3 | -45.4 | 174.5 | 176.4 | 57.8 | 0 | 0 | 0 | 111.4 | Y2448 I2455 V2456 L2464 L2466 F2469 | Y2448-L2452 HydrophobicContact CE1-CD2 4.06Å; Y2448-L2452 WeakPolarHBondContact O-CB 3.21Å; Y2448-L2452 PolarHBondContact O-N 3.48Å; L2452-I2455 PolarHBondContact O-N 3.15Å; L2452-V2456 HydrophobicContact CD1-CG2 3.96Å; L2452-V2456 WeakPolarHBondContact O-CB 3.4Å; L2452-V2456 VanDerWaalsContact O-CG2 3.27Å; L2452-V2456 WeakPolarHBondContact O-CG2 3.48Å; L2452-V2456 PolarHBondContact O-N 3.42Å; L2452-L2464 HydrophobicContact CD1-CD2 3.74Å; L2452-L2466 HydrophobicContact CD1-CD2 3.85Å; L2452-L2466 HydrophobicContact CD2-CD2 4.34Å; L2452-F2469 HydrophobicContact CB-CE1 3.7Å; L2452-F2469 HydrophobicContact CB-CZ 3.87Å; L2452-F2469 HydrophobicContact CD1-CD1 3.82Å; L2452-F2469 HydrophobicContact CD1-CE1 3.72Å; L2452-F2469 HydrophobicContact CD1-CG 4.49Å; L2452-F2469 HydrophobicContact CD1-CZ 4.38Å; L2452-F2469 HydrophobicContact CD2-CE1 4.44Å; L2452-F2469 HydrophobicContact CG-CE1 4.14Å |
| 2453 | F | 74 | Confident | 67.2 | Low | 78 Ų | 78 | 61.3 Ų | 61.3 | 34% | 0.342 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 177.7 | 174.2 | -110.3 | 0 | 0 | 0 | 112.2 | Y2272 R2449 E2450 L2451 Q2457 | Y2272-F2453 HydrophobicContact CD1-CZ 4.39Å; Y2272-F2453 HydrophobicContact CG-CE1 4.23Å; Y2272-F2453 HydrophobicContact CG-CZ 4.44Å; R2449-F2453 WeakPolarHBondContact O-CB 3.37Å; R2449-F2453 PolarHBondContact O-N 2.96Å; E2450-F2453 PolarHBondContact O-N 3.23Å; L2451-F2453 VanDerWaalsContact C-N 3.31Å; L2451-F2453 PolarHBondContact O-N 3.14Å; F2453-Q2457 HydrophobicContact CE2-CG 4.18Å; F2453-Q2457 HydrophobicContact CZ-CG 4.35Å; F2453-Q2457 WeakPolarHBondContact O-CB 2.94Å; F2453-Q2457 WeakPolarHBondContact O-CG 3.07Å; F2453-Q2457 PolarHBondContact O-N 3.43Å |
| 2454 | L | 73.5 | Confident | 68.5 | Low | 13 Ų | 13 | 60.6 Ų | 60.6 | 7% | 0.068 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65 | -38 | 177.2 | -71.7 | 168.9 | 0 | 0 | 0 | 112.4 | Y2272 L2316 I2320 L2332 E2450 L2451 A2458 | Y2272-L2454 HydrophobicContact CD2-CD2 4.46Å; L2316-L2454 HydrophobicContact CD2-CD1 3.75Å; L2316-L2454 HydrophobicContact CG-CD1 4.36Å; I2320-L2454 HydrophobicContact CD1-CB 3.63Å; I2320-L2454 HydrophobicContact CD1-CD1 4.46Å; L2332-L2454 HydrophobicContact CD2-CD1 4.39Å; E2450-L2454 WeakPolarHBondContact O-CB 3.42Å; E2450-L2454 VanDerWaalsContact O-CG 3.25Å; E2450-L2454 WeakPolarHBondContact O-CG 3.28Å; E2450-L2454 PolarHBondContact O-N 3.34Å; L2451-L2454 PolarHBondContact O-N 3.02Å; L2454-A2458 WeakPolarHBondContact O-CB 3.3Å; L2454-A2458 PolarHBondContact O-N 2.66Å |
| 2455 | I | 75.2 | Confident | 69.9 | Low | 10 Ų | 10 | 58.6 Ų | 58.6 | 5% | 0.051 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.6 | -46.6 | 176.9 | -65.4 | 162.7 | 0 | 0 | 0 | 111.1 | I2320 L2451 L2452 Q2457 A2458 L2459 L2464 F2469 | I2320-I2455 HydrophobicContact CB-CG1 4.3Å; I2320-I2455 HydrophobicContact CD1-CG1 4.13Å; I2320-I2455 HydrophobicContact CG1-CG1 3.79Å; I2320-I2455 HydrophobicContact CG2-CB 4.31Å; I2320-I2455 HydrophobicContact CG2-CG1 3.76Å; L2451-I2455 HydrophobicContact CD1-CD1 3.88Å; L2451-I2455 HydrophobicContact CD1-CG1 4.13Å; L2451-I2455 HydrophobicContact CG-CD1 3.73Å; L2451-I2455 HydrophobicContact CG-CG1 4.43Å; L2451-I2455 VanDerWaalsContact O-CG1 3.26Å; L2451-I2455 WeakPolarHBondContact O-CG1 3.45Å; L2451-I2455 PolarHBondContact O-N 3.16Å; L2452-I2455 PolarHBondContact O-N 3.15Å; I2455-Q2457 PolarHBondContact O-N 2.92Å; I2455-A2458 PolarHBondContact O-N 3.49Å; I2455-L2459 HydrophobicContact CG2-CD1 3.93Å; I2455-L2459 HydrophobicContact CG2-CG 4.36Å; I2455-L2459 PolarHBondContact O-N 2.91Å; I2455-L2464 HydrophobicContact CG2-CD1 3.65Å; I2455-L2464 HydrophobicContact CG2-CD2 4.07Å; I2455-L2464 HydrophobicContact CG2-CG 4.4Å; I2455-F2469 HydrophobicContact CD1-CD2 3.73Å; I2455-F2469 HydrophobicContact CD1-CE2 3.32Å; I2455-F2469 HydrophobicContact CD1-CZ 4.29Å |
| 2456 | V | 68.4 | Low | 70.7 | Confident | 43 Ų | 43 | 56.8 Ų | 56.8 | 26% | 0.261 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.9 | -35.9 | 176.7 | 168.7 | 0 | 0 | 0 | 0 | 111.4 | L2452 S2460 R2461 L2464 | L2452-V2456 HydrophobicContact CD1-CG2 3.96Å; L2452-V2456 WeakPolarHBondContact O-CB 3.4Å; L2452-V2456 VanDerWaalsContact O-CG2 3.27Å; L2452-V2456 WeakPolarHBondContact O-CG2 3.48Å; L2452-V2456 PolarHBondContact O-N 3.42Å; V2456-S2460 CarbonylContact O-C 3.56Å; V2456-S2460 VanDerWaalsContact O-CA 3.27Å; V2456-S2460 WeakPolarHBondContact O-CA 3.39Å; V2456-S2460 PolarHBondContact O-N 3.13Å; V2456-R2461 HydrophobicContact CG1-CB 4.26Å; V2456-R2461 HydrophobicContact CG1-CG 4.27Å; V2456-L2464 HydrophobicContact CG2-CD2 3.56Å |
| 2457 | Q | 65.4 | Low | 70.5 | Confident | 87 Ų | 87 | 59 Ų | 59 | 41% | 0.407 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -79.6 | -25.4 | 175.2 | -77.3 | -70.3 | 9.1 | 0 | 0 | 114.9 | Y2272 F2453 I2455 | Y2272-Q2457 HydrophobicContact CD1-CG 4.42Å; Y2272-Q2457 HydrophobicContact CD2-CB 3.87Å; Y2272-Q2457 HydrophobicContact CD2-CG 4.17Å; Y2272-Q2457 HydrophobicContact CE1-CG 4.19Å; Y2272-Q2457 HydrophobicContact CE2-CB 3.48Å; Y2272-Q2457 VanDerWaalsContact CE2-CB 3.48Å; Y2272-Q2457 HydrophobicContact CE2-CG 3.92Å; Y2272-Q2457 HydrophobicContact CG-CG 4.4Å; Y2272-Q2457 PolarHBondContact OH-OE1 3.18Å; F2453-Q2457 HydrophobicContact CE2-CG 4.18Å; F2453-Q2457 HydrophobicContact CZ-CG 4.35Å; F2453-Q2457 WeakPolarHBondContact O-CB 2.94Å; F2453-Q2457 WeakPolarHBondContact O-CG 3.07Å; F2453-Q2457 PolarHBondContact O-N 3.43Å; I2455-Q2457 PolarHBondContact O-N 2.92Å |
| 2458 | A | 67.8 | Low | 70.3 | Confident | 44 Ų | 44 | 60.8 Ų | 60.8 | 36% | 0.364 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -92.1 | -32.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114 | I2320 L2454 I2455 | I2320-A2458 HydrophobicContact CG2-CB 3.54Å; L2454-A2458 WeakPolarHBondContact O-CB 3.3Å; L2454-A2458 PolarHBondContact O-N 2.66Å; I2455-A2458 PolarHBondContact O-N 3.49Å |
| 2459 | L | 67.2 | Low | 70.3 | Confident | 60 Ų | 60 | 60.5 Ų | 60.5 | 31% | 0.314 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -108.8 | -10.1 | -177.6 | -62.8 | -176 | 0 | 0 | 0 | 113.7 | I2455 S2463 | I2455-L2459 HydrophobicContact CG2-CD1 3.93Å; I2455-L2459 HydrophobicContact CG2-CG 4.36Å; I2455-L2459 PolarHBondContact O-N 2.91Å; L2459-S2463 WeakPolarHBondContact CB-OG 3.45Å; L2459-S2463 PolarHBondContact O-OG 2.83Å |
| 2460 | S | 55.4 | Low | 70.7 | Confident | 59 Ų | 59 | 52 Ų | 52 | 41% | 0.413 | 28% | 0.28 | S | S | . | . | trans | 71.5 | 157.7 | -167.2 | 84.7 | 0 | 0 | 0 | 0 | 114.4 | V2456 T2462 S2463 | V2456-S2460 CarbonylContact O-C 3.56Å; V2456-S2460 VanDerWaalsContact O-CA 3.27Å; V2456-S2460 WeakPolarHBondContact O-CA 3.39Å; V2456-S2460 PolarHBondContact O-N 3.13Å; S2460-T2462 VanDerWaalsContact C-N 3.3Å; S2460-T2462 PolarHBondContact O-N 3.49Å; S2460-T2462 PolarHBondContact OG-OG1 2.77Å; S2460-S2463 PolarHBondContact O-OG 3.35Å | ||
| 2461 | R | 51.1 | Low | 70.8 | Confident | 201 Ų | 201 | 57.1 Ų | 57.1 | 76% | 0.758 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -16.3 | -168.5 | -159.7 | 176.1 | -176.1 | -176.5 | 0.7 | 114.3 | V2456 | V2456-R2461 HydrophobicContact CG1-CB 4.26Å; V2456-R2461 HydrophobicContact CG1-CG 4.27Å |
| 2462 | T | 54 | Low | 70.8 | Confident | 130 Ų | 130 | 60.4 Ų | 60.4 | 80% | 0.798 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -23.5 | -177.9 | 46.4 | 0 | 0 | 0 | 0 | 113.7 | S2460 | S2460-T2462 VanDerWaalsContact C-N 3.3Å; S2460-T2462 PolarHBondContact O-N 3.49Å; S2460-T2462 PolarHBondContact OG-OG1 2.77Å |
| 2463 | S | 61.5 | Low | 71.2 | Confident | 75 Ų | 75 | 59 Ų | 59 | 52% | 0.524 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -88.3 | -9.6 | 177.4 | 70.2 | 0 | 0 | 0 | 0 | 113.7 | L2459 S2460 | L2459-S2463 WeakPolarHBondContact CB-OG 3.45Å; L2459-S2463 PolarHBondContact O-OG 2.83Å; S2460-S2463 PolarHBondContact O-OG 3.35Å |
| 2464 | L | 69.8 | Low | 71.7 | Confident | 22 Ų | 22 | 57.1 Ų | 57.1 | 12% | 0.115 | 30% | 0.304 | C | S | . | . | trans | -96.4 | 105.1 | -175.3 | -174.6 | 66.4 | 0 | 0 | 0 | 111 | L2452 I2455 V2456 L2466 F2469 | L2452-L2464 HydrophobicContact CD1-CD2 3.74Å; I2455-L2464 HydrophobicContact CG2-CD1 3.65Å; I2455-L2464 HydrophobicContact CG2-CD2 4.07Å; I2455-L2464 HydrophobicContact CG2-CG 4.4Å; V2456-L2464 HydrophobicContact CG2-CD2 3.56Å; L2464-L2466 PolarHBondContact O-N 2.84Å; L2464-F2469 HydrophobicContact CD1-CB 4Å; L2464-F2469 HydrophobicContact CD1-CD2 4.49Å; L2464-F2469 HydrophobicContact CD1-CG 4.42Å | ||
| 2465 | D | 76 | Confident | 72.3 | Confident | 68 Ų | 68 | 60.9 Ų | 60.9 | 36% | 0.364 | 32% | 0.324 | S | S | . | . | trans | -74 | 114.9 | 159.8 | -179.4 | 43.1 | 0 | 0 | 0 | 111 | M2467 S2468 F2469 R2507 | D2465-M2467 VanDerWaalsContact C-N 3.28Å; D2465-M2467 PolarHBondContact O-N 3.15Å; D2465-M2467 PolarHBondContact OD1-N 3.27Å; D2465-M2467 VanDerWaalsContact OD2-CB 3.31Å; D2465-M2467 WeakPolarHBondContact OD2-CB 3.13Å; D2465-M2467 PolarHBondContact OD2-N 3Å; D2465-S2468 PolarHBondContact OD2-N 3.26Å; D2465-F2469 WeakPolarHBondContact O-CB 3.14Å; D2465-F2469 PolarHBondContact O-N 2.99Å; D2465-R2507 IonicContact OD1-CZ 3.82Å; D2465-R2507 IonicContact OD1-NH1 2.74Å; D2465-R2507 PolarHBondContact OD1-NH1 3.48Å; D2465-R2507 IonicContact OD1-NH2 3.63Å; D2465-R2507 PolarHBondContact OD1-NH2 3.23Å | ||
| 2466 | L | 71.9 | Confident | 72.8 | Confident | 35 Ų | 35 | 61.4 Ų | 61.4 | 18% | 0.183 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.4 | -25.4 | 177.1 | -78.3 | 134.1 | 0 | 0 | 0 | 113.4 | L2452 L2464 D2470 R2507 | L2452-L2466 HydrophobicContact CD1-CD2 3.85Å; L2452-L2466 HydrophobicContact CD2-CD2 4.34Å; L2464-L2466 PolarHBondContact O-N 2.84Å; L2466-D2470 VanDerWaalsContact O-CB 3.29Å; L2466-D2470 WeakPolarHBondContact O-CB 3.47Å; L2466-D2470 PolarHBondContact O-N 3.31Å; L2466-R2507 VanDerWaalsContact N-NH2 3.19Å |
| 2467 | M | 68.8 | Low | 73.7 | Confident | 61 Ų | 61 | 59.6 Ų | 59.6 | 30% | 0.3 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -72.6 | -51.9 | 175.4 | -79.5 | -102.4 | 60.1 | 0 | 0 | 111 | D2465 F2469 D2470 E2471 Q2504 | D2465-M2467 VanDerWaalsContact C-N 3.28Å; D2465-M2467 PolarHBondContact O-N 3.15Å; D2465-M2467 PolarHBondContact OD1-N 3.27Å; D2465-M2467 VanDerWaalsContact OD2-CB 3.31Å; D2465-M2467 WeakPolarHBondContact OD2-CB 3.13Å; D2465-M2467 PolarHBondContact OD2-N 3Å; M2467-F2469 PolarHBondContact O-N 3.09Å; M2467-D2470 PolarHBondContact O-N 3.27Å; M2467-E2471 WeakPolarHBondContact O-CB 3.41Å; M2467-E2471 PolarHBondContact O-N 2.96Å; M2467-Q2504 HydrophobicContact CG-CG 4.14Å; M2467-Q2504 HydrophobicContact SD-CG 4.21Å; M2467-Q2504 PolarHBondContact SD-NE2 3.05Å; M2467-Q2504 VanDerWaalsContact SD-NE2 3.38Å |
| 2468 | S | 75.6 | Confident | 74.6 | Confident | 42 Ų | 42 | 60.7 Ų | 60.7 | 29% | 0.294 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.6 | -35 | 173 | -170 | 0 | 0 | 0 | 0 | 112.1 | D2465 K2472 | D2465-S2468 PolarHBondContact OD2-N 3.26Å; S2468-K2472 VanDerWaalsContact O-CB 3.23Å; S2468-K2472 WeakPolarHBondContact O-CB 3.5Å; S2468-K2472 WeakPolarHBondContact O-CD 3.29Å; S2468-K2472 WeakPolarHBondContact O-CG 3.19Å; S2468-K2472 PolarHBondContact O-N 3.34Å; S2468-K2472 WeakPolarHBondContact OG-CE 3.12Å |
| 2469 | F | 84.7 | Confident | 75.4 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 1% | 0.013 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.3 | -52 | 172.8 | 173.9 | -100.6 | 0 | 0 | 0 | 112.7 | M2325 Y2448 L2451 L2452 I2455 L2464 D2465 M2467 E2471 K2472 Y2473 | M2325-F2469 HydrophobicContact CE-CD2 3.33Å; M2325-F2469 HydrophobicContact CE-CE2 3.7Å; M2325-F2469 HydrophobicContact CE-CG 4.31Å; M2325-F2469 HydrophobicContact SD-CD2 3.99Å; M2325-F2469 HydrophobicContact SD-CE2 3.79Å; Y2448-F2469 AromaticContact CD2-CE1 3.98Å; Y2448-F2469 HydrophobicContact CD2-CE1 3.98Å; Y2448-F2469 HydrophobicContact CD2-CZ 4.35Å; Y2448-F2469 HydrophobicContact CE2-CD1 4.11Å; Y2448-F2469 AromaticContact CE2-CE1 3.37Å; Y2448-F2469 HydrophobicContact CE2-CE1 3.37Å; Y2448-F2469 HydrophobicContact CE2-CZ 4.18Å; Y2448-F2469 AromaticContact CZ-CE1 3.87Å; L2451-F2469 HydrophobicContact CG-CE2 4.35Å; L2452-F2469 HydrophobicContact CB-CE1 3.7Å; L2452-F2469 HydrophobicContact CB-CZ 3.87Å; L2452-F2469 HydrophobicContact CD1-CD1 3.82Å; L2452-F2469 HydrophobicContact CD1-CE1 3.72Å; L2452-F2469 HydrophobicContact CD1-CG 4.49Å; L2452-F2469 HydrophobicContact CD1-CZ 4.38Å; L2452-F2469 HydrophobicContact CD2-CE1 4.44Å; L2452-F2469 HydrophobicContact CG-CE1 4.14Å; I2455-F2469 HydrophobicContact CD1-CD2 3.73Å; I2455-F2469 HydrophobicContact CD1-CE2 3.32Å; I2455-F2469 HydrophobicContact CD1-CZ 4.29Å; L2464-F2469 HydrophobicContact CD1-CB 4Å; L2464-F2469 HydrophobicContact CD1-CD2 4.49Å; L2464-F2469 HydrophobicContact CD1-CG 4.42Å; D2465-F2469 WeakPolarHBondContact O-CB 3.14Å; D2465-F2469 PolarHBondContact O-N 2.99Å; M2467-F2469 PolarHBondContact O-N 3.09Å; F2469-E2471 VanDerWaalsContact C-N 3.31Å; F2469-E2471 PolarHBondContact O-N 3.12Å; F2469-K2472 PolarHBondContact O-N 3Å; F2469-Y2473 HydrophobicContact CZ-CD2 4.14Å; F2469-Y2473 VanDerWaalsContact O-CB 3.3Å; F2469-Y2473 WeakPolarHBondContact O-CB 3.31Å; F2469-Y2473 PolarHBondContact O-N 3.33Å |
| 2470 | D | 82.4 | Confident | 76.2 | Confident | 10 Ų | 10 | 59.1 Ų | 59.1 | 5% | 0.053 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.3 | -42.9 | 179.9 | -75.3 | -7.8 | 0 | 0 | 0 | 110.8 | Y2448 L2466 M2467 Y2473 D2474 S2500 R2503 | Y2448-D2470 WeakPolarHBondContact CE2-OD1 3.4Å; Y2448-D2470 PolarHBondContact OH-OD1 3.25Å; L2466-D2470 VanDerWaalsContact O-CB 3.29Å; L2466-D2470 WeakPolarHBondContact O-CB 3.47Å; L2466-D2470 PolarHBondContact O-N 3.31Å; M2467-D2470 PolarHBondContact O-N 3.27Å; D2470-Y2473 PolarHBondContact O-N 2.93Å; D2470-D2474 WeakPolarHBondContact O-CB 3.47Å; D2470-D2474 PolarHBondContact O-N 3.28Å; D2470-S2500 PolarHBondContact OD2-OG 2.02Å; D2470-R2503 IonicContact OD1-NH1 3.96Å; D2470-R2503 PolarHBondContact OD1-NH1 3.26Å; D2470-R2503 VanDerWaalsContact OD1-NH1 3.12Å; D2470-R2503 IonicContact OD2-CZ 3.7Å; D2470-R2503 IonicContact OD2-NH1 2.7Å; D2470-R2503 PolarHBondContact OD2-NH1 3.26Å |
| 2471 | E | 79.9 | Confident | 77.2 | Confident | 130 Ų | 130 | 61.6 Ų | 61.6 | 61% | 0.607 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -64.8 | -52.5 | 177.6 | -172.9 | -172.5 | -174.8 | 0 | 0 | 112.1 | M2467 F2469 Y2473 D2474 L2475 | M2467-E2471 WeakPolarHBondContact O-CB 3.41Å; M2467-E2471 PolarHBondContact O-N 2.96Å; F2469-E2471 VanDerWaalsContact C-N 3.31Å; F2469-E2471 PolarHBondContact O-N 3.12Å; E2471-Y2473 VanDerWaalsContact C-N 3.25Å; E2471-Y2473 PolarHBondContact O-N 3.47Å; E2471-D2474 PolarHBondContact O-N 3.45Å; E2471-L2475 WeakPolarHBondContact O-CB 3.48Å; E2471-L2475 PolarHBondContact O-N 3.21Å |
| 2472 | K | 82.8 | Confident | 78.5 | Confident | 69 Ų | 69 | 58.7 Ų | 58.7 | 30% | 0.3 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.1 | -39.7 | 177.1 | -76.1 | 168.6 | 177.3 | 171.9 | 0 | 111.3 | D2323 M2325 S2468 F2469 L2475 V2476 | D2323-K2472 IonicContact OD1-NZ 3.1Å; D2323-K2472 PolarHBondContact OD1-NZ 3.28Å; D2323-K2472 IonicContact OD2-NZ 3.48Å; D2323-K2472 PolarHBondContact OD2-NZ 2.83Å; M2325-K2472 HydrophobicContact CE-CB 3.45Å; M2325-K2472 VanDerWaalsContact CE-CB 3.45Å; M2325-K2472 HydrophobicContact CE-CD 3.82Å; M2325-K2472 HydrophobicContact CE-CG 4.32Å; M2325-K2472 HydrophobicContact SD-CB 3.73Å; S2468-K2472 VanDerWaalsContact O-CB 3.23Å; S2468-K2472 WeakPolarHBondContact O-CB 3.5Å; S2468-K2472 WeakPolarHBondContact O-CD 3.29Å; S2468-K2472 WeakPolarHBondContact O-CG 3.19Å; S2468-K2472 PolarHBondContact O-N 3.34Å; S2468-K2472 WeakPolarHBondContact OG-CE 3.12Å; F2469-K2472 PolarHBondContact O-N 3Å; K2472-L2475 PolarHBondContact O-N 3.41Å; K2472-V2476 WeakPolarHBondContact O-CG2 3.47Å; K2472-V2476 PolarHBondContact O-N 2.94Å |
| 2473 | Y | 89.2 | Confident | 79.5 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.2 | -47.8 | 178.6 | -174.1 | -80 | 0 | 0 | 0 | 110.7 | M2325 L2329 Y2448 L2451 F2469 D2470 E2471 L2475 V2476 Y2477 D2492 P2494 | M2325-Y2473 WeakPolarHBondContact SD-CA 3.34Å; M2325-Y2473 HydrophobicContact SD-CD2 4.31Å; M2325-Y2473 PolarHBondContact SD-N 3.38Å; L2329-Y2473 HydrophobicContact CD1-CE2 3.81Å; L2329-Y2473 HydrophobicContact CD2-CE2 4.46Å; Y2448-Y2473 AromaticContact CD2-CD1 3.72Å; Y2448-Y2473 HydrophobicContact CD2-CD1 3.72Å; Y2448-Y2473 HydrophobicContact CD2-CD2 4.05Å; Y2448-Y2473 AromaticContact CD2-CE1 3.99Å; Y2448-Y2473 HydrophobicContact CD2-CE1 3.99Å; Y2448-Y2473 HydrophobicContact CD2-CE2 4.31Å; Y2448-Y2473 AromaticContact CD2-CG 3.76Å; Y2448-Y2473 HydrophobicContact CD2-CG 3.76Å; Y2448-Y2473 HydrophobicContact CE2-CG 4.48Å; Y2448-Y2473 HydrophobicContact CG-CE1 4.37Å; Y2448-Y2473 PolarHBondContact N-OH 3.17Å; Y2448-Y2473 VanDerWaalsContact N-OH 3.08Å; L2451-Y2473 HydrophobicContact CD2-CD2 3.98Å; L2451-Y2473 HydrophobicContact CD2-CE2 4.04Å; F2469-Y2473 HydrophobicContact CZ-CD2 4.14Å; F2469-Y2473 VanDerWaalsContact O-CB 3.3Å; F2469-Y2473 WeakPolarHBondContact O-CB 3.31Å; F2469-Y2473 PolarHBondContact O-N 3.33Å; D2470-Y2473 PolarHBondContact O-N 2.93Å; E2471-Y2473 VanDerWaalsContact C-N 3.25Å; E2471-Y2473 PolarHBondContact O-N 3.47Å; Y2473-L2475 VanDerWaalsContact C-N 3.31Å; Y2473-L2475 PolarHBondContact O-N 2.87Å; Y2473-V2476 PolarHBondContact O-N 3.49Å; Y2473-Y2477 HydrophobicContact CE1-CD2 4.05Å; Y2473-Y2477 HydrophobicContact CE1-CG 4.03Å; Y2473-Y2477 WeakPolarHBondContact O-CB 3.28Å; Y2473-Y2477 PolarHBondContact O-N 2.81Å; Y2473-D2492 VanDerWaalsContact CE1-O 3.28Å; Y2473-D2492 WeakPolarHBondContact CE1-O 3.37Å; Y2473-D2492 PolarHBondContact OH-O 3.06Å; Y2473-P2494 HydrophobicContact CD1-CB 3.92Å; Y2473-P2494 HydrophobicContact CD1-CG 4.21Å; Y2473-P2494 HydrophobicContact CE1-CB 4.48Å |
| 2474 | D | 86 | Confident | 80.1 | Confident | 38 Ų | 38 | 55.6 Ų | 55.6 | 20% | 0.203 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.4 | -41.8 | 178.4 | -166.5 | 19.2 | 0 | 0 | 0 | 111.6 | D2470 E2471 V2476 Y2477 R2478 P2494 | D2470-D2474 WeakPolarHBondContact O-CB 3.47Å; D2470-D2474 PolarHBondContact O-N 3.28Å; E2471-D2474 PolarHBondContact O-N 3.45Å; D2474-V2476 VanDerWaalsContact C-N 3.35Å; D2474-V2476 PolarHBondContact O-N 3.07Å; D2474-Y2477 PolarHBondContact O-N 3.48Å; D2474-R2478 VanDerWaalsContact O-CB 3.28Å; D2474-R2478 WeakPolarHBondContact O-CB 3.43Å; D2474-R2478 VanDerWaalsContact O-CG 3.23Å; D2474-R2478 WeakPolarHBondContact O-CG 3.49Å; D2474-R2478 PolarHBondContact O-N 3.13Å; D2474-R2478 WeakPolarHBondContact OD1-CG 3.25Å; D2474-R2478 IonicContact OD1-CZ 2.6Å; D2474-R2478 IonicContact OD1-NE 3.97Å; D2474-R2478 PolarHBondContact OD1-NE 3.31Å; D2474-R2478 IonicContact OD1-NH2 2.69Å; D2474-R2478 IonicContact OD2-CZ 2.73Å; D2474-R2478 IonicContact OD2-NE 2.71Å; D2474-R2478 PolarHBondContact OD2-NE 2.82Å; D2474-R2478 IonicContact OD2-NH2 3.93Å; D2474-R2478 PolarHBondContact OD2-NH2 2.87Å; D2474-P2494 HydrophobicContact CB-CB 4.35Å; D2474-P2494 HydrophobicContact CB-CG 3.7Å; D2474-P2494 WeakPolarHBondContact OD1-CG 3.44Å |
| 2475 | L | 84.8 | Confident | 80.3 | Confident | 91 Ų | 91 | 56 Ų | 56 | 48% | 0.476 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.6 | -42.7 | 175.6 | -126.5 | 160.6 | 0 | 0 | 0 | 112.4 | E2471 K2472 Y2473 S2479 | E2471-L2475 WeakPolarHBondContact O-CB 3.48Å; E2471-L2475 PolarHBondContact O-N 3.21Å; K2472-L2475 PolarHBondContact O-N 3.41Å; Y2473-L2475 VanDerWaalsContact C-N 3.31Å; Y2473-L2475 PolarHBondContact O-N 2.87Å; L2475-S2479 WeakPolarHBondContact O-CB 3.41Å; L2475-S2479 PolarHBondContact O-N 3Å |
| 2476 | V | 86.4 | Confident | 80.1 | Confident | 22 Ų | 22 | 59.3 Ų | 59.3 | 13% | 0.133 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -74.8 | -40.7 | 177.5 | 171.8 | 0 | 0 | 0 | 0 | 111.8 | R2326 L2329 K2472 Y2473 D2474 S2479 F2480 | R2326-V2476 HydrophobicContact CB-CG1 4.46Å; R2326-V2476 HydrophobicContact CB-CG2 4.2Å; L2329-V2476 HydrophobicContact CB-CG1 3.9Å; L2329-V2476 HydrophobicContact CD2-CG1 3.77Å; L2329-V2476 HydrophobicContact CG-CG1 4.47Å; K2472-V2476 WeakPolarHBondContact O-CG2 3.47Å; K2472-V2476 PolarHBondContact O-N 2.94Å; Y2473-V2476 PolarHBondContact O-N 3.49Å; D2474-V2476 VanDerWaalsContact C-N 3.35Å; D2474-V2476 PolarHBondContact O-N 3.07Å; V2476-S2479 VanDerWaalsContact O-CB 3.31Å; V2476-S2479 WeakPolarHBondContact O-CB 3.42Å; V2476-S2479 PolarHBondContact O-N 3.41Å; V2476-F2480 HydrophobicContact CG1-CD2 3.89Å; V2476-F2480 HydrophobicContact CG1-CE2 3.92Å; V2476-F2480 WeakPolarHBondContact O-CD2 3.48Å; V2476-F2480 PolarHBondContact O-N 3.16Å |
| 2477 | Y | 88.1 | Confident | 80 | Confident | 5 Ų | 5 | 59 Ų | 59 | 2% | 0.02 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.5 | -49.2 | 178.7 | 176.7 | -99.8 | 0 | 0 | 0 | 111.3 | Y2473 D2474 S2479 F2480 R2481 L2488 T2489 D2492 Q2493 | Y2473-Y2477 HydrophobicContact CE1-CD2 4.05Å; Y2473-Y2477 HydrophobicContact CE1-CG 4.03Å; Y2473-Y2477 WeakPolarHBondContact O-CB 3.28Å; Y2473-Y2477 PolarHBondContact O-N 2.81Å; D2474-Y2477 PolarHBondContact O-N 3.48Å; Y2477-S2479 VanDerWaalsContact C-N 3.27Å; Y2477-S2479 PolarHBondContact O-N 3.38Å; Y2477-F2480 PolarHBondContact O-N 3.18Å; Y2477-R2481 VanDerWaalsContact O-CB 3.31Å; Y2477-R2481 WeakPolarHBondContact O-CB 3.37Å; Y2477-R2481 PolarHBondContact O-N 3.43Å; Y2477-R2481 PolarHBondContact OH-NH1 3.33Å; Y2477-L2488 HydrophobicContact CD2-CD1 3.96Å; Y2477-L2488 HydrophobicContact CD2-CD2 4.18Å; Y2477-L2488 HydrophobicContact CE2-CB 4.26Å; Y2477-L2488 HydrophobicContact CE2-CD1 3.96Å; Y2477-L2488 HydrophobicContact CE2-CD2 4.05Å; Y2477-L2488 HydrophobicContact CE2-CG 4.33Å; Y2477-T2489 PolarHBondContact OH-O 2.86Å; Y2477-D2492 HydrophobicContact CD2-CB 4.49Å; Y2477-D2492 WeakPolarHBondContact CD2-O 3.48Å; Y2477-D2492 HydrophobicContact CE2-CB 3.78Å; Y2477-D2492 WeakPolarHBondContact CE2-O 3.41Å; Y2477-Q2493 HydrophobicContact CE1-CB 4.01Å; Y2477-Q2493 HydrophobicContact CE1-CG 3.91Å |
| 2478 | R | 83.5 | Confident | 80.3 | Confident | 110 Ų | 110 | 57.2 Ų | 57.2 | 42% | 0.415 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.8 | -39.4 | 173 | -68.4 | 178.2 | -167.7 | -160.4 | 12.5 | 111.2 | H1118 D2474 N2482 | H1118-R2478 PolarHBondContact NE2-NH1 3.48Å; D2474-R2478 VanDerWaalsContact O-CB 3.28Å; D2474-R2478 WeakPolarHBondContact O-CB 3.43Å; D2474-R2478 VanDerWaalsContact O-CG 3.23Å; D2474-R2478 WeakPolarHBondContact O-CG 3.49Å; D2474-R2478 PolarHBondContact O-N 3.13Å; D2474-R2478 WeakPolarHBondContact OD1-CG 3.25Å; D2474-R2478 IonicContact OD1-CZ 2.6Å; D2474-R2478 IonicContact OD1-NE 3.97Å; D2474-R2478 PolarHBondContact OD1-NE 3.31Å; D2474-R2478 IonicContact OD1-NH2 2.69Å; D2474-R2478 IonicContact OD2-CZ 2.73Å; D2474-R2478 IonicContact OD2-NE 2.71Å; D2474-R2478 PolarHBondContact OD2-NE 2.82Å; D2474-R2478 IonicContact OD2-NH2 3.93Å; D2474-R2478 PolarHBondContact OD2-NH2 2.87Å; R2478-N2482 WeakPolarHBondContact O-CB 2.98Å; R2478-N2482 PolarHBondContact O-N 2.87Å; R2478-N2482 PolarHBondContact O-OD1 2.84Å |
| 2479 | S | 84.6 | Confident | 80.1 | Confident | 48 Ų | 48 | 57.6 Ų | 57.6 | 34% | 0.336 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -56.5 | -53.2 | 173.4 | 167.3 | 0 | 0 | 0 | 0 | 112.1 | L2475 V2476 Y2477 S2483 | L2475-S2479 WeakPolarHBondContact O-CB 3.41Å; L2475-S2479 PolarHBondContact O-N 3Å; V2476-S2479 VanDerWaalsContact O-CB 3.31Å; V2476-S2479 WeakPolarHBondContact O-CB 3.42Å; V2476-S2479 PolarHBondContact O-N 3.41Å; Y2477-S2479 VanDerWaalsContact C-N 3.27Å; Y2477-S2479 PolarHBondContact O-N 3.38Å; S2479-S2483 PolarHBondContact O-N 3.32Å; S2479-S2483 PolarHBondContact O-OG 2.85Å |
| 2480 | F | 82.9 | Confident | 79.3 | Confident | 22 Ų | 22 | 62.5 Ų | 62.5 | 10% | 0.096 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -71.8 | -33.6 | -179.2 | -80.6 | -73.1 | 0 | 0 | 0 | 113.6 | R2326 L2329 E2330 I2333 V2476 Y2477 S2483 C2485 L2488 | R2326-F2480 HydrophobicContact CG-CE2 4.14Å; R2326-F2480 HydrophobicContact CG-CZ 4.41Å; L2329-F2480 HydrophobicContact CD2-CD2 4.18Å; E2330-F2480 HydrophobicContact CB-CE2 4.43Å; E2330-F2480 HydrophobicContact CB-CZ 3.83Å; E2330-F2480 HydrophobicContact CG-CE1 4.22Å; E2330-F2480 HydrophobicContact CG-CZ 3.82Å; I2333-F2480 HydrophobicContact CD1-CB 4.44Å; I2333-F2480 HydrophobicContact CD1-CD1 4.29Å; I2333-F2480 HydrophobicContact CD1-CD2 4.34Å; I2333-F2480 HydrophobicContact CD1-CG 4.13Å; V2476-F2480 HydrophobicContact CG1-CD2 3.89Å; V2476-F2480 HydrophobicContact CG1-CE2 3.92Å; V2476-F2480 WeakPolarHBondContact O-CD2 3.48Å; V2476-F2480 PolarHBondContact O-N 3.16Å; Y2477-F2480 PolarHBondContact O-N 3.18Å; F2480-S2483 WeakPolarHBondContact CA-OG 3.45Å; F2480-S2483 PolarHBondContact O-N 2.96Å; F2480-S2483 PolarHBondContact O-OG 3.44Å; F2480-C2485 HydrophobicContact CB-CB 4.34Å; F2480-C2485 WeakPolarHBondContact O-CB 3.29Å; F2480-C2485 PolarHBondContact O-N 3.42Å; F2480-C2485 VanDerWaalsContact O-N 3.13Å; F2480-L2488 HydrophobicContact CB-CD1 3.61Å |
| 2481 | R | 78.2 | Confident | 78.6 | Confident | 111 Ų | 111 | 68.9 Ų | 68.9 | 42% | 0.419 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.8 | -41.8 | 174.8 | -168.5 | 167.3 | 178.8 | 146.9 | 4.2 | 110.9 | Y2477 S2483 G2484 L2488 D2490 | Y2477-R2481 VanDerWaalsContact O-CB 3.31Å; Y2477-R2481 WeakPolarHBondContact O-CB 3.37Å; Y2477-R2481 PolarHBondContact O-N 3.43Å; Y2477-R2481 PolarHBondContact OH-NH1 3.33Å; R2481-S2483 VanDerWaalsContact C-N 3.34Å; R2481-S2483 PolarHBondContact O-N 2.97Å; R2481-G2484 PolarHBondContact O-N 3.45Å; R2481-G2484 VanDerWaalsContact O-N 3.1Å; R2481-L2488 HydrophobicContact CB-CD1 4.4Å; R2481-D2490 IonicContact CZ-OD1 2.63Å; R2481-D2490 VanDerWaalsContact CZ-OD1 3.22Å; R2481-D2490 IonicContact NH1-OD1 3.72Å; R2481-D2490 PolarHBondContact NH1-OD1 3.03Å; R2481-D2490 IonicContact NH2-OD1 2.82Å; R2481-D2490 PolarHBondContact NH2-OD1 3.4Å |
| 2482 | N | 77.2 | Confident | 78.6 | Confident | 140 Ų | 140 | 62.7 Ų | 62.7 | 75% | 0.749 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -70.3 | -27 | 176 | -68.6 | -2.1 | 0 | 0 | 0 | 113.1 | R2478 G2484 | R2478-N2482 WeakPolarHBondContact O-CB 2.98Å; R2478-N2482 PolarHBondContact O-N 2.87Å; R2478-N2482 PolarHBondContact O-OD1 2.84Å; N2482-G2484 PolarHBondContact O-N 2.91Å |
| 2483 | S | 74.9 | Confident | 78.4 | Confident | 87 Ų | 87 | 64.3 Ų | 64.3 | 61% | 0.608 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | 7 | 170 | 70.6 | 0 | 0 | 0 | 0 | 114 | S2479 F2480 R2481 | S2479-S2483 PolarHBondContact O-N 3.32Å; S2479-S2483 PolarHBondContact O-OG 2.85Å; F2480-S2483 WeakPolarHBondContact CA-OG 3.45Å; F2480-S2483 PolarHBondContact O-N 2.96Å; F2480-S2483 PolarHBondContact O-OG 3.44Å; R2481-S2483 VanDerWaalsContact C-N 3.34Å; R2481-S2483 PolarHBondContact O-N 2.97Å |
| 2484 | G | 73.7 | Confident | 77.8 | Confident | 53 Ų | 53 | 65 Ų | 65 | 55% | 0.546 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74 | 27.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | R2481 N2482 T2486 | R2481-G2484 PolarHBondContact O-N 3.45Å; R2481-G2484 VanDerWaalsContact O-N 3.1Å; N2482-G2484 PolarHBondContact O-N 2.91Å; G2484-T2486 PolarHBondContact O-N 2.98Å |
| 2485 | C | 74.9 | Confident | 77 | Confident | 32 Ų | 32 | 64.6 Ų | 64.6 | 22% | 0.216 | 35% | 0.352 | C | S | . | . | trans | -68.1 | 102.5 | -179.8 | -169.2 | 0 | 0 | 0 | 0 | 111.7 | F2480 L2487 L2488 | F2480-C2485 HydrophobicContact CB-CB 4.34Å; F2480-C2485 WeakPolarHBondContact O-CB 3.29Å; F2480-C2485 PolarHBondContact O-N 3.42Å; F2480-C2485 VanDerWaalsContact O-N 3.13Å; C2485-L2487 PolarHBondContact O-N 2.95Å; C2485-L2487 VanDerWaalsContact O-N 3.09Å; C2485-L2488 HydrophobicContact CB-CD1 4.45Å; C2485-L2488 PolarHBondContact O-N 3.42Å | ||
| 2486 | T | 70.9 | Confident | 76.2 | Confident | 136 Ų | 136 | 64.8 Ų | 64.8 | 83% | 0.834 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -1.1 | -177.5 | 53.7 | 0 | 0 | 0 | 0 | 115.2 | G2484 | G2484-T2486 PolarHBondContact O-N 2.98Š|
| 2487 | L | 70.4 | Confident | 74.7 | Confident | 28 Ų | 28 | 70.1 Ų | 70.1 | 15% | 0.147 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -8.2 | 176.9 | -74.9 | 157.6 | 0 | 0 | 0 | 113.2 | I2333 A2337 F2341 C2485 | I2333-L2487 HydrophobicContact CG2-CB 3.93Å; I2333-L2487 HydrophobicContact CG2-CD1 3.81Å; A2337-L2487 HydrophobicContact CB-CD1 3.71Å; A2337-L2487 HydrophobicContact CB-CD2 4.07Å; F2341-L2487 HydrophobicContact CE2-CD2 4.04Å; C2485-L2487 PolarHBondContact O-N 2.95Å; C2485-L2487 VanDerWaalsContact O-N 3.09Å |
| 2488 | L | 75.3 | Confident | 72.9 | Confident | 25 Ų | 25 | 75.9 Ų | 75.9 | 13% | 0.131 | 41% | 0.414 | C | S | . | . | trans | -89.1 | 134.3 | 171 | -69.6 | 177.4 | 0 | 0 | 0 | 110.4 | I2333 L2447 Y2477 F2480 R2481 C2485 D2492 | I2333-L2488 HydrophobicContact CD1-CD2 3.96Å; I2333-L2488 HydrophobicContact CD1-CG 4.22Å; I2333-L2488 HydrophobicContact CG1-CD2 4.11Å; L2447-L2488 HydrophobicContact CD1-CD2 3.96Å; Y2477-L2488 HydrophobicContact CD2-CD1 3.96Å; Y2477-L2488 HydrophobicContact CD2-CD2 4.18Å; Y2477-L2488 HydrophobicContact CE2-CB 4.26Å; Y2477-L2488 HydrophobicContact CE2-CD1 3.96Å; Y2477-L2488 HydrophobicContact CE2-CD2 4.05Å; Y2477-L2488 HydrophobicContact CE2-CG 4.33Å; F2480-L2488 HydrophobicContact CB-CD1 3.61Å; R2481-L2488 HydrophobicContact CB-CD1 4.4Å; C2485-L2488 HydrophobicContact CB-CD1 4.45Å; C2485-L2488 PolarHBondContact O-N 3.42Å; L2488-D2492 HydrophobicContact CD2-CB 4.2Å | ||
| 2489 | T | 71.1 | Confident | 71.6 | Confident | 50 Ų | 50 | 72.7 Ų | 72.7 | 31% | 0.307 | 41% | 0.411 | S | S | . | . | trans | -108.5 | 168.8 | 176.2 | 70.4 | 0 | 0 | 0 | 0 | 110.5 | Y2477 F2491 D2492 | Y2477-T2489 PolarHBondContact OH-O 2.86Å; T2489-F2491 PolarHBondContact O-N 3.45Å; T2489-F2491 PolarHBondContact OG1-N 3.03Å; T2489-D2492 WeakPolarHBondContact CA-OD2 3.4Å; T2489-D2492 WeakPolarHBondContact CB-OD2 3.4Å; T2489-D2492 PolarHBondContact N-OD2 3.2Å; T2489-D2492 WeakPolarHBondContact O-CB 3.47Å; T2489-D2492 PolarHBondContact O-N 3.34Å; T2489-D2492 VanDerWaalsContact O-N 3.14Å; T2489-D2492 VanDerWaalsContact OG1-CG 3.27Å; T2489-D2492 PolarHBondContact OG1-OD2 3.29Å | ||
| 2490 | D | 67.3 | Low | 70.2 | Confident | 106 Ų | 106 | 70.9 Ų | 70.9 | 57% | 0.567 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -68.3 | -20.2 | 172.4 | -63.9 | -55.6 | 0 | 0 | 0 | 112.7 | R2481 D2492 Q2493 | R2481-D2490 IonicContact CZ-OD1 2.63Å; R2481-D2490 VanDerWaalsContact CZ-OD1 3.22Å; R2481-D2490 IonicContact NH1-OD1 3.72Å; R2481-D2490 PolarHBondContact NH1-OD1 3.03Å; R2481-D2490 IonicContact NH2-OD1 2.82Å; R2481-D2490 PolarHBondContact NH2-OD1 3.4Å; D2490-D2492 PolarHBondContact O-N 3.45Å; D2490-Q2493 WeakPolarHBondContact O-CB 3.37Å; D2490-Q2493 PolarHBondContact O-N 3.37Å |
| 2491 | F | 68.4 | Low | 68.7 | Low | 144 Ų | 144 | 73.3 Ų | 73.3 | 63% | 0.632 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -69.7 | -18.5 | 171.2 | -64.7 | -78 | 0 | 0 | 0 | 113 | S2446 T2489 Q2493 | S2446-F2491 WeakPolarHBondContact CB-O 3.16Å; S2446-F2491 PolarHBondContact OG-O 3.07Å; T2489-F2491 PolarHBondContact O-N 3.45Å; T2489-F2491 PolarHBondContact OG1-N 3.03Å; F2491-Q2493 VanDerWaalsContact C-N 3.32Å |
| 2492 | D | 80.8 | Confident | 67.2 | Low | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -88.1 | -1.4 | -178.1 | -56.4 | -49.3 | 0 | 0 | 0 | 113.6 | R2336 S2446 L2447 Y2473 Y2477 L2488 T2489 D2490 | R2336-D2492 IonicContact CZ-OD1 3.82Å; R2336-D2492 IonicContact CZ-OD2 2.82Å; R2336-D2492 IonicContact NH1-OD1 3.6Å; R2336-D2492 PolarHBondContact NH1-OD1 2.98Å; R2336-D2492 IonicContact NH1-OD2 3.73Å; R2336-D2492 PolarHBondContact NH1-OD2 3.29Å; R2336-D2492 IonicContact NH2-OD1 2.75Å; S2446-D2492 WeakPolarHBondContact CA-OD1 3.45Å; L2447-D2492 HydrophobicContact CB-CB 4.33Å; L2447-D2492 HydrophobicContact CG-CB 4.49Å; L2447-D2492 WeakPolarHBondContact CG-OD1 3.44Å; L2447-D2492 PolarHBondContact N-OD1 3.24Å; Y2473-D2492 VanDerWaalsContact CE1-O 3.28Å; Y2473-D2492 WeakPolarHBondContact CE1-O 3.37Å; Y2473-D2492 PolarHBondContact OH-O 3.06Å; Y2477-D2492 HydrophobicContact CD2-CB 4.49Å; Y2477-D2492 WeakPolarHBondContact CD2-O 3.48Å; Y2477-D2492 HydrophobicContact CE2-CB 3.78Å; Y2477-D2492 WeakPolarHBondContact CE2-O 3.41Å; L2488-D2492 HydrophobicContact CD2-CB 4.2Å; T2489-D2492 WeakPolarHBondContact CA-OD2 3.4Å; T2489-D2492 WeakPolarHBondContact CB-OD2 3.4Å; T2489-D2492 PolarHBondContact N-OD2 3.2Å; T2489-D2492 WeakPolarHBondContact O-CB 3.47Å; T2489-D2492 PolarHBondContact O-N 3.34Å; T2489-D2492 VanDerWaalsContact O-N 3.14Å; T2489-D2492 VanDerWaalsContact OG1-CG 3.27Å; T2489-D2492 PolarHBondContact OG1-OD2 3.29Å; D2490-D2492 PolarHBondContact O-N 3.45Å |
| 2493 | Q | 77.7 | Confident | 66.4 | Low | 103 Ų | 103 | 68 Ų | 68 | 48% | 0.481 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -66.5 | 142.5 | 178.5 | -166.2 | 171.9 | -8.4 | 0 | 0 | 110.8 | Y2477 D2490 F2491 | Y2477-Q2493 HydrophobicContact CE1-CB 4.01Å; Y2477-Q2493 HydrophobicContact CE1-CG 3.91Å; D2490-Q2493 WeakPolarHBondContact O-CB 3.37Å; D2490-Q2493 PolarHBondContact O-N 3.37Å; F2491-Q2493 VanDerWaalsContact C-N 3.32Å |
| 2494 | P | 77.3 | Confident | 65.2 | Low | 14 Ų | 14 | 68.4 Ų | 68.4 | 9% | 0.091 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 168.5 | 171.2 | 25.9 | -35.8 | 0 | 0 | 0 | 112.4 | Y2448 Y2473 D2474 | Y2448-P2494 HydrophobicContact CD2-CB 4.21Å; Y2448-P2494 HydrophobicContact CE2-CB 4.41Å; Y2473-P2494 HydrophobicContact CD1-CB 3.92Å; Y2473-P2494 HydrophobicContact CD1-CG 4.21Å; Y2473-P2494 HydrophobicContact CE1-CB 4.48Å; D2474-P2494 HydrophobicContact CB-CB 4.35Å; D2474-P2494 HydrophobicContact CB-CG 3.7Å; D2474-P2494 WeakPolarHBondContact OD1-CG 3.44Å |
| 2495 | P | 68.7 | Low | 63.8 | Low | 30 Ų | 30 | 71.9 Ų | 71.9 | 20% | 0.195 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 150.1 | 175.9 | -14.7 | 28 | 0 | 0 | 0 | 110.8 | Y2448 A2499 | Y2448-P2495 HydrophobicContact CE1-CG 3.86Å; Y2448-P2495 VanDerWaalsContact CE2-CD 3.5Å; Y2448-P2495 HydrophobicContact CE2-CG 4.14Å; Y2448-P2495 VanDerWaalsContact CZ-CD 3.42Å; Y2448-P2495 VanDerWaalsContact OH-CG 3.32Å; Y2448-P2495 WeakPolarHBondContact OH-CG 3.29Å; P2495-A2499 HydrophobicContact CB-CB 3.88Å |
| 2496 | T | 67.1 | Low | 62.1 | Low | 95 Ų | 95 | 77.1 Ų | 77.1 | 58% | 0.583 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 155 | 168.5 | 58.2 | 0 | 0 | 0 | 0 | 110 | I2498 A2499 S2500 | T2496-I2498 PolarHBondContact O-N 3.49Å; T2496-I2498 VanDerWaalsContact O-N 3.14Å; T2496-A2499 WeakPolarHBondContact O-CA 3.4Å; T2496-A2499 WeakPolarHBondContact O-CB 2.58Å; T2496-A2499 PolarHBondContact O-N 2.9Å; T2496-A2499 WeakPolarHBondContact OG1-CB 3.36Å; T2496-A2499 PolarHBondContact OG1-N 3.5Å; T2496-S2500 PolarHBondContact O-N 2.96Å |
| 2497 | L | 56.2 | Low | 60.4 | Low | 133 Ų | 133 | 74.9 Ų | 74.9 | 70% | 0.696 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -52.5 | -40.1 | 178.2 | -172.9 | 67.6 | 0 | 0 | 0 | 111.8 | A2499 S2500 I2501 | L2497-A2499 PolarHBondContact O-N 2.91Å; L2497-S2500 PolarHBondContact O-N 2.9Å; L2497-I2501 HydrophobicContact CD1-CD1 4.44Å; L2497-I2501 HydrophobicContact CD2-CD1 4.48Å; L2497-I2501 HydrophobicContact CG-CD1 3.9Å; L2497-I2501 WeakPolarHBondContact O-CB 3.16Å; L2497-I2501 VanDerWaalsContact O-CG1 3.24Å; L2497-I2501 WeakPolarHBondContact O-CG1 3.3Å; L2497-I2501 PolarHBondContact O-N 3.44Å |
| 2498 | I | 50.5 | Low | 58.7 | Low | 126 Ų | 126 | 78 Ų | 78 | 65% | 0.646 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -60.7 | -43 | 173.7 | -60.6 | 174.1 | 0 | 0 | 0 | 111.3 | T2496 I2501 C2502 | T2496-I2498 PolarHBondContact O-N 3.49Å; T2496-I2498 VanDerWaalsContact O-N 3.14Å; I2498-I2501 PolarHBondContact O-N 3.44Å; I2498-C2502 WeakPolarHBondContact O-CB 3.45Å; I2498-C2502 PolarHBondContact O-N 3.19Å; I2498-C2502 PolarHBondContact O-SG 2.86Å |
| 2499 | A | 55.5 | Low | 56.3 | Low | 43 Ų | 43 | 85.4 Ų | 85.4 | 36% | 0.355 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -68.9 | -36.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | P2495 T2496 L2497 R2503 | P2495-A2499 HydrophobicContact CB-CB 3.88Å; T2496-A2499 WeakPolarHBondContact O-CA 3.4Å; T2496-A2499 WeakPolarHBondContact O-CB 2.58Å; T2496-A2499 PolarHBondContact O-N 2.9Å; T2496-A2499 WeakPolarHBondContact OG1-CB 3.36Å; T2496-A2499 PolarHBondContact OG1-N 3.5Å; L2497-A2499 PolarHBondContact O-N 2.91Å; A2499-R2503 WeakPolarHBondContact O-CB 3.29Å; A2499-R2503 PolarHBondContact O-N 3.23Å |
| 2500 | S | 56.3 | Low | 54.3 | Low | 10 Ų | 10 | 87.9 Ų | 87.9 | 7% | 0.07 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -71.3 | -37.5 | 172.9 | -65.5 | 0 | 0 | 0 | 0 | 112.1 | D2470 T2496 L2497 R2503 Q2504 | D2470-S2500 PolarHBondContact OD2-OG 2.02Å; T2496-S2500 PolarHBondContact O-N 2.96Å; L2497-S2500 PolarHBondContact O-N 2.9Å; S2500-R2503 CarbonylContact O-C 3.54Å; S2500-R2503 WeakPolarHBondContact O-CB 3.5Å; S2500-R2503 PolarHBondContact O-N 3.38Å; S2500-Q2504 PolarHBondContact O-N 3.1Å |
| 2501 | I | 50 | Low | 52.2 | Low | 73 Ų | 73 | 91.1 Ų | 91.1 | 37% | 0.374 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.1 | -47 | 171.8 | -72.8 | 168.2 | 0 | 0 | 0 | 110.8 | L2497 I2498 R2503 Q2504 I2505 | L2497-I2501 HydrophobicContact CD1-CD1 4.44Å; L2497-I2501 HydrophobicContact CD2-CD1 4.48Å; L2497-I2501 HydrophobicContact CG-CD1 3.9Å; L2497-I2501 WeakPolarHBondContact O-CB 3.16Å; L2497-I2501 VanDerWaalsContact O-CG1 3.24Å; L2497-I2501 WeakPolarHBondContact O-CG1 3.3Å; L2497-I2501 PolarHBondContact O-N 3.44Å; I2498-I2501 PolarHBondContact O-N 3.44Å; I2501-R2503 PolarHBondContact O-N 3.08Å; I2501-Q2504 WeakPolarHBondContact O-CA 3.25Å; I2501-Q2504 WeakPolarHBondContact O-CB 3.25Å; I2501-Q2504 PolarHBondContact O-N 3.08Å; I2501-I2505 HydrophobicContact CG2-CD1 3.72Å; I2501-I2505 HydrophobicContact CG2-CG1 4.39Å; I2501-I2505 WeakPolarHBondContact O-CG1 3.26Å; I2501-I2505 PolarHBondContact O-N 3.12Å |
| 2502 | C | 47.6 | Very low | 49.9 | Very low | 59 Ų | 59 | 95.3 Ų | 95.3 | 40% | 0.399 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.5 | -35.3 | 173.6 | -71.4 | 0 | 0 | 0 | 0 | 111.7 | I2498 I2505 L2506 | I2498-C2502 WeakPolarHBondContact O-CB 3.45Å; I2498-C2502 PolarHBondContact O-N 3.19Å; I2498-C2502 PolarHBondContact O-SG 2.86Å; C2502-I2505 PolarHBondContact O-N 3.02Å; C2502-L2506 VanDerWaalsContact O-CB 3.23Å; C2502-L2506 WeakPolarHBondContact O-CB 3.39Å; C2502-L2506 VanDerWaalsContact O-CG 3.25Å; C2502-L2506 WeakPolarHBondContact O-CG 3.42Å; C2502-L2506 PolarHBondContact O-N 2.74Å |
| 2503 | R | 59.8 | Low | 47.4 | Very low | 80 Ų | 80 | 103.7 Ų | 103.7 | 30% | 0.302 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -73.4 | -24 | 174.5 | -159.7 | -164.9 | -64.5 | 155.7 | -13.8 | 113.5 | Y2448 D2470 A2499 S2500 I2501 R2507 | Y2448-R2503 PolarHBondContact OH-NH1 3.23Å; Y2448-R2503 PolarHBondContact OH-NH2 3.12Å; D2470-R2503 IonicContact OD1-NH1 3.96Å; D2470-R2503 PolarHBondContact OD1-NH1 3.26Å; D2470-R2503 VanDerWaalsContact OD1-NH1 3.12Å; D2470-R2503 IonicContact OD2-CZ 3.7Å; D2470-R2503 IonicContact OD2-NH1 2.7Å; D2470-R2503 PolarHBondContact OD2-NH1 3.26Å; A2499-R2503 WeakPolarHBondContact O-CB 3.29Å; A2499-R2503 PolarHBondContact O-N 3.23Å; S2500-R2503 CarbonylContact O-C 3.54Å; S2500-R2503 WeakPolarHBondContact O-CB 3.5Å; S2500-R2503 PolarHBondContact O-N 3.38Å; I2501-R2503 PolarHBondContact O-N 3.08Å; R2503-R2507 PolarHBondContact O-N 3.39Å; R2503-R2507 VanDerWaalsContact O-N 3.11Å |
| 2504 | Q | 49.4 | Very low | 45.9 | Very low | 96 Ų | 96 | 103.8 Ų | 103.8 | 45% | 0.449 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -72.9 | -49.1 | 167.4 | -92.7 | -178.3 | -47.2 | 0 | 0 | 111.3 | M2467 S2500 I2501 L2506 R2507 | M2467-Q2504 HydrophobicContact CG-CG 4.14Å; M2467-Q2504 HydrophobicContact SD-CG 4.21Å; M2467-Q2504 PolarHBondContact SD-NE2 3.05Å; M2467-Q2504 VanDerWaalsContact SD-NE2 3.38Å; S2500-Q2504 PolarHBondContact O-N 3.1Å; I2501-Q2504 WeakPolarHBondContact O-CA 3.25Å; I2501-Q2504 WeakPolarHBondContact O-CB 3.25Å; I2501-Q2504 PolarHBondContact O-N 3.08Å; Q2504-L2506 PolarHBondContact O-N 2.89Å; Q2504-R2507 WeakPolarHBondContact O-CB 3.44Å; Q2504-R2507 PolarHBondContact O-N 2.96Å; Q2504-R2507 VanDerWaalsContact O-N 3.14Å |
| 2505 | I | 44.3 | Very low | 44.3 | Very low | 127 Ų | 127 | 108.5 Ų | 108.5 | 65% | 0.651 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61 | -31.6 | 178.3 | -65.7 | 167.3 | 0 | 0 | 0 | 111 | I2501 C2502 | I2501-I2505 HydrophobicContact CG2-CD1 3.72Å; I2501-I2505 HydrophobicContact CG2-CG1 4.39Å; I2501-I2505 WeakPolarHBondContact O-CG1 3.26Å; I2501-I2505 PolarHBondContact O-N 3.12Å; C2502-I2505 PolarHBondContact O-N 3.02Å |
| 2506 | L | 40.3 | Very low | 42.9 | Very low | 142 Ų | 142 | 112.8 Ų | 112.8 | 74% | 0.743 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | 21 | 178.2 | -55.9 | 172 | 0 | 0 | 0 | 113.4 | C2502 Q2504 | C2502-L2506 VanDerWaalsContact O-CB 3.23Å; C2502-L2506 WeakPolarHBondContact O-CB 3.39Å; C2502-L2506 VanDerWaalsContact O-CG 3.25Å; C2502-L2506 WeakPolarHBondContact O-CG 3.42Å; C2502-L2506 PolarHBondContact O-N 2.74Å; Q2504-L2506 PolarHBondContact O-N 2.89Å |
| 2507 | R | 35 | Very low | 41.5 | Very low | 89 Ų | 89 | 113.9 Ų | 113.9 | 34% | 0.336 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -68.3 | 148.6 | 162.9 | -110.1 | 175.5 | 159.3 | 160.7 | -9.3 | 108.2 | D2465 L2466 R2503 Q2504 | D2465-R2507 IonicContact OD1-CZ 3.82Å; D2465-R2507 IonicContact OD1-NH1 2.74Å; D2465-R2507 PolarHBondContact OD1-NH1 3.48Å; D2465-R2507 IonicContact OD1-NH2 3.63Å; D2465-R2507 PolarHBondContact OD1-NH2 3.23Å; L2466-R2507 VanDerWaalsContact N-NH2 3.19Å; R2503-R2507 PolarHBondContact O-N 3.39Å; R2503-R2507 VanDerWaalsContact O-N 3.11Å; Q2504-R2507 WeakPolarHBondContact O-CB 3.44Å; Q2504-R2507 PolarHBondContact O-N 2.96Å; Q2504-R2507 VanDerWaalsContact O-N 3.14Å |
| 2508 | P | 33 | Very low | 40.6 | Very low | 92 Ų | 92 | 112.7 Ų | 112.7 | 60% | 0.597 | 58% | 0.583 | S | S | * | * | trans | -67.3 | 154.3 | -177.2 | 29.2 | -35.3 | 0 | 0 | 0 | 111.8 | I2510 | P2508-I2510 HydrophobicContact CG-CG1 4.28Å; P2508-I2510 PolarHBondContact O-N 3.4Å; P2508-I2510 VanDerWaalsContact O-N 3.09Å | ||
| 2509 | L | 26.7 | Very low | 39.9 | Very low | 181 Ų | 181 | 111.8 Ų | 111.8 | 95% | 0.948 | 58% | 0.579 | S | S | * | * | trans | -63.8 | 105 | 164.6 | -71.9 | 163.3 | 0 | 0 | 0 | 109 | L2511 | L2509-L2511 PolarHBondContact O-N 3.49Š| ||
| 2510 | I | 27.8 | Very low | 38.8 | Very low | 103 Ų | 103 | 116.7 Ų | 116.7 | 53% | 0.528 | 60% | 0.595 | S | S | . | * | trans | -89.9 | 104.1 | 179.6 | -63.5 | 172.8 | 0 | 0 | 0 | 109.4 | P2508 R2512 | P2508-I2510 HydrophobicContact CG-CG1 4.28Å; P2508-I2510 PolarHBondContact O-N 3.4Å; P2508-I2510 VanDerWaalsContact O-N 3.09Å; I2510-R2512 PolarHBondContact O-N 2.63Å | ||
| 2511 | L | 23 | Very low | 37.4 | Very low | 174 Ų | 174 | 124.9 Ų | 124.9 | 91% | 0.911 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -81 | 71.2 | 163.5 | -84.2 | 170.2 | 0 | 0 | 0 | 110.4 | L2509 | L2509-L2511 PolarHBondContact O-N 3.49Š|
| 2512 | R | 21.6 | Very low | 36.4 | Very low | 231 Ų | 231 | 129.3 Ų | 129.3 | 87% | 0.872 | 66% | 0.657 | S | S | * | * | trans | 64.1 | 150.7 | 177.5 | -59 | 178.4 | 171.9 | 177.6 | -2.7 | 117.7 | I2510 | I2510-R2512 PolarHBondContact O-N 2.63Š| ||
| 2513 | P | 28.2 | Very low | 35.4 | Very low | 177 Ų | 177 | 135.6 Ų | 135.6 | 100% | 1.149 | 68% | 0.681 | S | S | * | * | cis | -81.7 | 0 | -31.7 | -5.9 | 26.4 | 0 | 0 | 0 | 110.6 |
Retrieved 2,513 of 2,513 residues in 3563.2 ms
(Link to these results)