| 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 | 35.6 | Very low | 64.1 | Low | 239 Ų | 239 | 97.5 Ų | 97.5 | 100% | 1.177 | 55% | 0.554 | S | S | * | * | 0 | 107.2 | 0 | -76.3 | -178.8 | 162.8 | 0 | 0 | 107.1 | T3 | M1-T3 PolarHBondContact O-N 3.39Š| |||
| 2 | A | 34.3 | Very low | 66.7 | Low | 100 Ų | 100 | 91.1 Ų | 91.1 | 83% | 0.826 | 51% | 0.514 | S | S | * | . | trans | -68 | 113.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | V4 | A2-V4 PolarHBondContact O-N 3.45Š| ||
| 3 | T | 39.2 | Very low | 69.1 | Low | 134 Ų | 134 | 84.5 Ų | 84.5 | 82% | 0.822 | 48% | 0.477 | S | S | * | . | trans | -58.4 | 111.5 | 166.8 | 42.3 | 0 | 0 | 0 | 0 | 106.8 | M1 A5 | M1-T3 PolarHBondContact O-N 3.39Å; T3-A5 PolarHBondContact O-N 3.15Å | ||
| 4 | V | 47.5 | Very low | 71.1 | Confident | 141 Ų | 141 | 79.6 Ų | 79.6 | 86% | 0.855 | 45% | 0.453 | S | S | * | . | trans | -57.1 | 112.4 | 169.7 | 178.6 | 0 | 0 | 0 | 0 | 105.6 | A2 A6 | A2-V4 PolarHBondContact O-N 3.45Å; V4-A6 PolarHBondContact O-N 3.43Å | ||
| 5 | A | 55.9 | Low | 72.8 | Confident | 73 Ų | 73 | 74.9 Ų | 74.9 | 60% | 0.603 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 134.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 108 | T3 | T3-A5 PolarHBondContact O-N 3.15Š|
| 6 | A | 59.4 | Low | 74.3 | Confident | 26 Ų | 26 | 73.1 Ų | 73.1 | 22% | 0.215 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -54.6 | 143.6 | 177 | 0 | 0 | 0 | 0 | 0 | 110 | V4 R8 E340 T342 | V4-A6 PolarHBondContact O-N 3.43Å; A6-R8 PolarHBondContact O-N 2.81Å; A6-E340 WeakPolarHBondContact CB-O 3.49Å; A6-T342 HydrophobicContact CB-CG2 4.31Å |
| 7 | P | 67.3 | Low | 75.6 | Confident | 78 Ų | 78 | 71.5 Ų | 71.5 | 51% | 0.506 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 132.6 | 176.3 | 17.2 | -24.6 | 0 | 0 | 0 | 109.5 | E340 | P7-E340 HydrophobicContact CG-CB 4.21Å; P7-E340 WeakPolarHBondContact O-CB 3.26Å; P7-E340 PolarHBondContact O-N 2.8Å |
| 8 | R | 83.7 | Confident | 76.7 | Confident | 147 Ų | 147 | 69.3 Ų | 69.3 | 56% | 0.555 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100 | 124.9 | 179.8 | -72.2 | -177.1 | 178.1 | 166.6 | 1.1 | 108.5 | A6 | A6-R8 PolarHBondContact O-N 2.81Å |
| 9 | R | 91.6 | Very high | 77.7 | Confident | 95 Ų | 95 | 66.1 Ų | 66.1 | 36% | 0.358 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 132.9 | 173.5 | -170.2 | 165.6 | -177.8 | -171.4 | -3.2 | 109.8 | D328 T337 R338 E340 | R9-D328 VanDerWaalsContact CZ-CG 3.4Å; R9-D328 IonicContact CZ-OD2 3.94Å; R9-D328 IonicContact NE-OD2 3.1Å; R9-D328 IonicContact NH1-OD1 2.89Å; R9-D328 IonicContact NH1-OD2 3.43Å; R9-D328 PolarHBondContact NH1-OD2 3.3Å; R9-D328 IonicContact NH2-OD2 3.97Å; R9-D328 PolarHBondContact NH2-OD2 2.71Å; R9-T337 VanDerWaalsContact O-CA 3.28Å; R9-T337 WeakPolarHBondContact O-CA 3.18Å; R9-R338 PolarHBondContact N-O 3.1Å; R9-R338 VanDerWaalsContact N-O 3.12Å; R9-R338 PolarHBondContact O-N 3.47Å; R9-E340 HydrophobicContact CB-CG 4.06Å; R9-E340 WeakPolarHBondContact CD-OE1 3.42Å |
| 10 | F | 95.1 | Very high | 78.5 | Confident | 39 Ų | 39 | 66 Ų | 66 | 17% | 0.171 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 143.2 | 172.1 | -75.8 | -81.1 | 0 | 0 | 0 | 110.9 | D215 G331 F332 F336 T337 | F10-D215 WeakPolarHBondContact CZ-O 3.37Å; F10-G331 VanDerWaalsContact CB-O 3.26Å; F10-G331 WeakPolarHBondContact CB-O 3.45Å; F10-F332 HydrophobicContact CD1-CD1 4.35Å; F10-F332 AromaticContact CD2-CD1 3.72Å; F10-F332 HydrophobicContact CD2-CD1 3.72Å; F10-F332 HydrophobicContact CD2-CE1 4.22Å; F10-F332 HydrophobicContact CE1-CD1 4.17Å; F10-F332 AromaticContact CE2-CD1 3.5Å; F10-F332 HydrophobicContact CE2-CD1 3.5Å; F10-F332 AromaticContact CE2-CE1 3.63Å; F10-F332 HydrophobicContact CE2-CE1 3.63Å; F10-F332 HydrophobicContact CG-CD1 4.15Å; F10-F332 AromaticContact CZ-CD1 3.74Å; F10-F332 HydrophobicContact CZ-CD1 3.74Å; F10-F332 AromaticContact CZ-CE1 3.95Å; F10-F332 HydrophobicContact CZ-CE1 3.95Å; F10-F336 CarbonylContact C-O 3.55Å; F10-F336 WeakPolarHBondContact CA-O 3.47Å; F10-F336 WeakPolarHBondContact CD1-O 3.35Å; F10-T337 HydrophobicContact CD1-CG2 3.51Å; F10-T337 HydrophobicContact CE1-CG2 3.42Å; F10-T337 VanDerWaalsContact CE1-CG2 3.42Å; F10-T337 HydrophobicContact CG-CG2 4.17Å; F10-T337 HydrophobicContact CZ-CG2 4.02Å |
| 11 | C | 95.7 | Very high | 79.3 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 171.1 | -171.8 | -61.5 | 0 | 0 | 0 | 0 | 110.7 | L326 V327 F336 | C11-L326 HydrophobicContact CB-CB 4.13Å; C11-L326 HydrophobicContact CB-CD2 4.17Å; C11-V327 WeakPolarHBondContact CA-O 3.29Å; C11-V327 VanDerWaalsContact CB-O 3.31Å; C11-V327 WeakPolarHBondContact CB-O 3.4Å; C11-F336 HydrophobicContact CB-CB 4.24Å; C11-F336 PolarHBondContact N-O 3.41Å; C11-F336 WeakPolarHBondContact O-CB 3.34Å; C11-F336 PolarHBondContact O-N 2.96Å |
| 12 | R | 95.9 | Very high | 82.1 | Confident | 21 Ų | 21 | 57.6 Ų | 57.6 | 8% | 0.079 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 156.9 | 168.9 | 142.6 | 178.1 | -69.5 | 155.5 | 15.4 | 110 | F16 L326 V327 D329 S333 D334 | R12-F16 HydrophobicContact CG-CB 3.99Å; R12-F16 VanDerWaalsContact CZ-CE1 3.48Å; R12-F16 VanDerWaalsContact NH1-CD1 3.29Å; R12-L326 WeakPolarHBondContact O-CA 3.24Å; R12-V327 HydrophobicContact CB-CG2 4.13Å; R12-V327 HydrophobicContact CG-CG2 3.76Å; R12-V327 PolarHBondContact N-O 3.16Å; R12-V327 WeakPolarHBondContact O-CG2 3.09Å; R12-V327 PolarHBondContact O-N 3.31Å; R12-D329 HydrophobicContact CB-CB 4.48Å; R12-D329 IonicContact CZ-OD2 2.75Å; R12-D329 IonicContact NE-OD2 3.74Å; R12-D329 IonicContact NH1-OD2 3.26Å; R12-D329 IonicContact NH2-OD2 2.7Å; R12-S333 WeakPolarHBondContact CB-OG 3.49Å; R12-D334 HydrophobicContact CB-CB 4.33Å; R12-D334 IonicContact CZ-OD2 4Å; R12-D334 IonicContact NE-OD2 3.24Å; R12-D334 PolarHBondContact NE-OD2 3.09Å; R12-D334 IonicContact NH2-OD1 3.4Å; R12-D334 IonicContact NH2-OD2 3.39Å; R12-D334 PolarHBondContact NH2-OD2 3.38Å |
| 13 | C | 97.3 | Very high | 84.9 | Confident | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.034 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 130.6 | 165.9 | -175.7 | 0 | 0 | 0 | 0 | 110.6 | C15 F16 C317 P324 D325 F336 | C13-C15 PolarHBondContact O-N 3.36Å; C13-C15 PolarHBondContact SG-SG 3.1Å; C13-F16 WeakPolarHBondContact O-CB 3.5Å; C13-F16 PolarHBondContact O-N 3.05Å; C13-C317 HydrophobicContact CB-CB 4.42Å; C13-P324 HydrophobicContact CB-CB 4.13Å; C13-D325 CarbonylContact C-O 3.45Å; C13-D325 WeakPolarHBondContact CA-O 3.23Å; C13-F336 HydrophobicContact CB-CD2 4.5Å; C13-F336 HydrophobicContact CB-CE1 4.47Å; C13-F336 HydrophobicContact CB-CE2 3.92Å; C13-F336 HydrophobicContact CB-CZ 3.91Å |
| 14 | A | 96.8 | Very high | 87.4 | Confident | 17 Ų | 17 | 50 Ų | 50 | 14% | 0.14 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -58 | -18.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | F16 Y17 D325 V327 | A14-F16 PolarHBondContact O-N 3.45Å; A14-F16 VanDerWaalsContact O-N 3.13Å; A14-Y17 PolarHBondContact O-N 2.76Å; A14-D325 HydrophobicContact CB-CB 3.98Å; A14-D325 WeakPolarHBondContact CB-OD2 3.36Å; A14-D325 PolarHBondContact N-O 3.32Å; A14-V327 HydrophobicContact CB-CG1 3.91Å |
| 15 | C | 97 | Very high | 89.6 | Confident | 9 Ų | 9 | 48.6 Ų | 48.6 | 6% | 0.061 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -57.9 | -24.1 | 171.8 | 79.9 | 0 | 0 | 0 | 0 | 112.4 | C13 Y17 T18 D19 C317 C320 | C13-C15 PolarHBondContact O-N 3.36Å; C13-C15 PolarHBondContact SG-SG 3.1Å; C15-Y17 PolarHBondContact O-N 3.07Å; C15-T18 PolarHBondContact O-N 3.41Å; C15-T18 VanDerWaalsContact O-N 3.08Å; C15-D19 HydrophobicContact CB-CB 4.07Å; C15-D19 WeakPolarHBondContact O-CA 3.36Å; C15-D19 WeakPolarHBondContact O-CB 3.45Å; C15-D19 PolarHBondContact O-N 3.44Å; C15-C317 VanDerWaalsContact SG-SG 3.64Å; C15-C320 HydrophobicContact CB-CB 3.56Å |
| 16 | F | 96.2 | Very high | 91.4 | Very high | 46 Ų | 46 | 45.9 Ų | 45.9 | 20% | 0.202 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -55.4 | -34 | 174.5 | -178.8 | -102.4 | 0 | 0 | 0 | 112.3 | R12 C13 A14 R71 L74 | R12-F16 HydrophobicContact CG-CB 3.99Å; R12-F16 VanDerWaalsContact CZ-CE1 3.48Å; R12-F16 VanDerWaalsContact NH1-CD1 3.29Å; C13-F16 WeakPolarHBondContact O-CB 3.5Å; C13-F16 PolarHBondContact O-N 3.05Å; A14-F16 PolarHBondContact O-N 3.45Å; A14-F16 VanDerWaalsContact O-N 3.13Å; F16-R71 HydrophobicContact CD1-CB 4.18Å; F16-R71 HydrophobicContact CE1-CB 3.58Å; F16-R71 HydrophobicContact CE1-CG 3.85Å; F16-R71 HydrophobicContact CZ-CB 4.21Å; F16-R71 HydrophobicContact CZ-CG 3.98Å; F16-R71 WeakPolarHBondContact O-CD 3.47Å; F16-R71 PolarHBondContact O-NH1 3.38Å; F16-L74 HydrophobicContact CE1-CD1 4.11Å; F16-L74 HydrophobicContact CZ-CD1 3.69Å |
| 17 | Y | 96.1 | Very high | 93 | Very high | 45 Ų | 45 | 46.5 Ų | 46.5 | 18% | 0.176 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -87.3 | -10.9 | -179.9 | -55.4 | -58 | 0 | 0 | 0 | 114 | A14 C15 V68 R71 Q72 V327 | A14-Y17 PolarHBondContact O-N 2.76Å; C15-Y17 PolarHBondContact O-N 3.07Å; Y17-V68 WeakPolarHBondContact O-CG2 3.35Å; Y17-R71 HydrophobicContact CD1-CB 4.02Å; Y17-R71 HydrophobicContact CE1-CB 4.4Å; Y17-Q72 HydrophobicContact CD1-CG 3.74Å; Y17-Q72 HydrophobicContact CE1-CB 4.43Å; Y17-Q72 HydrophobicContact CE1-CG 3.91Å; Y17-Q72 HydrophobicContact CG-CG 4.38Å; Y17-V327 HydrophobicContact CE2-CG2 3.95Å |
| 18 | T | 96.4 | Very high | 94.3 | Very high | 33 Ų | 33 | 43.8 Ų | 43.8 | 20% | 0.202 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.9 | -24.5 | -169.1 | 56.5 | 0 | 0 | 0 | 0 | 114.5 | C15 R31 F32 R33 | C15-T18 PolarHBondContact O-N 3.41Å; C15-T18 VanDerWaalsContact O-N 3.08Å; T18-R31 CarbonylContact O-C 3.45Å; T18-R31 WeakPolarHBondContact O-CA 3.38Å; T18-R31 WeakPolarHBondContact O-CG 3.23Å; T18-F32 WeakPolarHBondContact CB-O 3.38Å; T18-F32 WeakPolarHBondContact CG2-O 3.47Å; T18-F32 PolarHBondContact O-N 2.98Å; T18-R33 HydrophobicContact CG2-CG 4.16Å |
| 19 | D | 96.1 | Very high | 94.8 | Very high | 8 Ų | 8 | 41.8 Ų | 41.8 | 4% | 0.043 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -107.8 | 157.5 | -177 | -72.9 | -102.2 | 0 | 0 | 0 | 111.3 | C15 L21 R31 R71 R322 | C15-D19 HydrophobicContact CB-CB 4.07Å; C15-D19 WeakPolarHBondContact O-CA 3.36Å; C15-D19 WeakPolarHBondContact O-CB 3.45Å; C15-D19 PolarHBondContact O-N 3.44Å; D19-L21 VanDerWaalsContact C-N 3.28Å; D19-L21 PolarHBondContact O-N 3.29Å; D19-R31 IonicContact OD1-CZ 3.68Å; D19-R31 IonicContact OD1-NE 2.67Å; D19-R31 PolarHBondContact OD1-NE 2.91Å; D19-R31 IonicContact OD1-NH2 3.89Å; D19-R31 PolarHBondContact OD1-NH2 2.76Å; D19-R31 IonicContact OD2-NE 2.79Å; D19-R71 PolarHBondContact O-NH1 2.92Å; D19-R322 VanDerWaalsContact CG-NH2 3.34Å; D19-R322 IonicContact OD1-NH2 2.6Å; D19-R322 PolarHBondContact OD1-NH2 3.15Å; D19-R322 IonicContact OD2-NH2 3.3Å; D19-R322 PolarHBondContact OD2-NH2 3.02Å |
| 20 | N | 93.7 | Very high | 95 | Very high | 63 Ų | 63 | 37.4 Ų | 37.4 | 34% | 0.337 | 19% | 0.193 | S | C | . | . | trans | 54.4 | 38.6 | 176.6 | -57.7 | -40.8 | 0 | 0 | 0 | 113.9 | Y22 V30 R71 M319 | N20-Y22 PolarHBondContact O-N 2.97Å; N20-V30 PolarHBondContact N-O 2.88Å; N20-R71 PolarHBondContact O-NH2 2.9Å; N20-M319 PolarHBondContact ND2-O 2.93Å | ||
| 21 | L | 95.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 114.6 | 173 | -57.5 | 169.2 | 0 | 0 | 0 | 108.3 | D19 H29 V30 F32 L64 E67 V68 | D19-L21 VanDerWaalsContact C-N 3.28Å; D19-L21 PolarHBondContact O-N 3.29Å; L21-H29 CarbonylContact O-C 3.48Å; L21-H29 WeakPolarHBondContact O-CA 3.26Å; L21-V30 HydrophobicContact CB-CG2 4.25Å; L21-V30 PolarHBondContact N-O 2.79Å; L21-V30 PolarHBondContact O-N 3.42Å; L21-F32 HydrophobicContact CD1-CB 3.47Å; L21-F32 VanDerWaalsContact CD1-CB 3.47Å; L21-F32 HydrophobicContact CD1-CG 4.48Å; L21-L64 HydrophobicContact CB-CD2 3.92Å; L21-L64 HydrophobicContact CD1-CD2 4.05Å; L21-E67 HydrophobicContact CD2-CG 3.68Å; L21-V68 HydrophobicContact CD1-CG2 3.93Å; L21-V68 HydrophobicContact CD2-CG2 4.44Å |
| 22 | Y | 93.7 | Very high | 95.2 | Very high | 128 Ų | 128 | 39.9 Ų | 39.9 | 50% | 0.502 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 121.9 | -178.3 | -175.9 | -120 | 0 | 0 | 0 | 110.9 | N20 A24 H29 | N20-Y22 PolarHBondContact O-N 2.97Å; Y22-A24 HydrophobicContact CD1-CB 4.3Å; Y22-A24 HydrophobicContact CE1-CB 3.82Å; Y22-H29 AromaticContact CD2-CD2 3.67Å; Y22-H29 AromaticContact CD2-CE1 3.74Å; Y22-H29 AromaticContact CD2-NE2 3.41Å; Y22-H29 WeakPolarHBondContact CD2-NE2 3.48Å; Y22-H29 AromaticContact CG-CE1 3.97Å |
| 23 | V | 93.9 | Very high | 95.2 | Very high | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.03 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 95 | 176 | -174.9 | 0 | 0 | 0 | 0 | 108.4 | R25 Y26 G27 L28 V30 L60 L64 | V23-R25 VanDerWaalsContact C-N 3.29Å; V23-R25 HydrophobicContact CG1-CB 4.49Å; V23-R25 PolarHBondContact O-N 3.11Å; V23-Y26 HydrophobicContact CG1-CD2 3.67Å; V23-Y26 HydrophobicContact CG1-CE2 4.36Å; V23-Y26 HydrophobicContact CG1-CG 4.47Å; V23-Y26 CarbonylContact O-C 3.48Å; V23-Y26 PolarHBondContact O-N 3.28Å; V23-Y26 VanDerWaalsContact O-N 3.12Å; V23-G27 PolarHBondContact O-N 2.84Å; V23-L28 PolarHBondContact N-O 2.86Å; V23-L28 PolarHBondContact O-N 3.01Å; V23-V30 HydrophobicContact CG2-CG1 4.49Å; V23-V30 HydrophobicContact CG2-CG2 3.95Å; V23-L60 HydrophobicContact CB-CD1 4.32Å; V23-L60 HydrophobicContact CG1-CD1 3.52Å; V23-L60 HydrophobicContact CG2-CD1 3.89Å; V23-L64 HydrophobicContact CG2-CD2 3.72Å; V23-L64 HydrophobicContact CG2-CG 4.35Å |
| 24 | A | 91.4 | Very high | 95.1 | Very high | 71 Ų | 71 | 47.2 Ų | 47.2 | 59% | 0.587 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -57.1 | -40.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y22 Y26 G27 | Y22-A24 HydrophobicContact CD1-CB 4.3Å; Y22-A24 HydrophobicContact CE1-CB 3.82Å; A24-Y26 PolarHBondContact O-N 3.41Å; A24-Y26 VanDerWaalsContact O-N 3.11Å; A24-G27 PolarHBondContact O-N 3.03Å |
| 25 | R | 92.4 | Very high | 95 | Very high | 111 Ų | 111 | 50.8 Ų | 50.8 | 42% | 0.419 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -52.9 | -35.2 | 178.6 | -176.9 | -174.1 | -60.3 | -115.1 | -8 | 113.3 | V23 Q59 E63 | V23-R25 VanDerWaalsContact C-N 3.29Å; V23-R25 HydrophobicContact CG1-CB 4.49Å; V23-R25 PolarHBondContact O-N 3.11Å; R25-Q59 VanDerWaalsContact CZ-CD 3.45Å; R25-Q59 VanDerWaalsContact CZ-OE1 3.28Å; R25-Q59 VanDerWaalsContact NH2-OE1 3.14Å; R25-E63 IonicContact CZ-OE1 3.96Å; R25-E63 IonicContact NE-OE1 2.7Å; R25-E63 PolarHBondContact NE-OE1 3.48Å; R25-E63 IonicContact NE-OE2 3.03Å; R25-E63 IonicContact NH2-OE1 2.73Å; R25-E63 PolarHBondContact NH2-OE1 3.36Å |
| 26 | Y | 95.1 | Very high | 95 | Very high | 15 Ų | 15 | 57.2 Ų | 57.2 | 6% | 0.059 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -112.7 | 6.2 | -178.1 | -54.4 | -55.2 | 0 | 0 | 0 | 112.5 | V23 A24 L28 L46 R49 C51 L60 | V23-Y26 HydrophobicContact CG1-CD2 3.67Å; V23-Y26 HydrophobicContact CG1-CE2 4.36Å; V23-Y26 HydrophobicContact CG1-CG 4.47Å; V23-Y26 CarbonylContact O-C 3.48Å; V23-Y26 PolarHBondContact O-N 3.28Å; V23-Y26 VanDerWaalsContact O-N 3.12Å; A24-Y26 PolarHBondContact O-N 3.41Å; A24-Y26 VanDerWaalsContact O-N 3.11Å; Y26-L28 PolarHBondContact O-N 3.34Å; Y26-L28 VanDerWaalsContact O-N 3.16Å; Y26-L46 HydrophobicContact CD2-CD2 3.67Å; Y26-L46 HydrophobicContact CE2-CD2 4.23Å; Y26-L46 HydrophobicContact CG-CD2 4.18Å; Y26-R49 HydrophobicContact CD1-CB 4.24Å; Y26-R49 VanDerWaalsContact CD1-O 3.3Å; Y26-R49 WeakPolarHBondContact CD1-O 3.39Å; Y26-R49 WeakPolarHBondContact O-CD 3.44Å; Y26-R49 PolarHBondContact O-NH1 2.91Å; Y26-C51 HydrophobicContact CE1-CB 3.8Å; Y26-C51 HydrophobicContact CE2-CB 3.98Å; Y26-C51 VanDerWaalsContact CZ-CB 3.46Å; Y26-C51 WeakPolarHBondContact OH-CB 3.38Å; Y26-L60 HydrophobicContact CD2-CD1 4.21Å; Y26-L60 HydrophobicContact CE2-CB 4.24Å; Y26-L60 HydrophobicContact CE2-CD1 4.06Å; Y26-L60 HydrophobicContact CE2-CD2 4.13Å; Y26-L60 HydrophobicContact CE2-CG 4.39Å |
| 27 | G | 93.3 | Very high | 95.1 | Very high | 39 Ų | 39 | 55.9 Ų | 55.9 | 40% | 0.402 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 38.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | V23 A24 R49 | V23-G27 PolarHBondContact O-N 2.84Å; A24-G27 PolarHBondContact O-N 3.03Å; G27-R49 VanDerWaalsContact C-NH1 3.27Å; G27-R49 PolarHBondContact O-NH1 3.08Å |
| 28 | L | 93.9 | Very high | 95.1 | Very high | 21 Ų | 21 | 53.8 Ų | 53.8 | 11% | 0.11 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 133.4 | -168.7 | -175.4 | 62.8 | 0 | 0 | 0 | 111.1 | V23 Y26 V30 Y42 I45 L46 | V23-L28 PolarHBondContact N-O 2.86Å; V23-L28 PolarHBondContact O-N 3.01Å; Y26-L28 PolarHBondContact O-N 3.34Å; Y26-L28 VanDerWaalsContact O-N 3.16Å; L28-V30 HydrophobicContact CD2-CG1 3.72Å; L28-V30 HydrophobicContact CG-CG1 3.81Å; L28-Y42 HydrophobicContact CD2-CD1 4.06Å; L28-I45 HydrophobicContact CD1-CD1 4.17Å; L28-I45 HydrophobicContact CD2-CG2 3.88Å; L28-L46 HydrophobicContact CD2-CD2 4.09Å |
| 29 | H | 94.3 | Very high | 95.1 | Very high | 106 Ų | 106 | 55.6 Ų | 55.6 | 49% | 0.491 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 131.7 | 163.3 | -71.3 | -93.5 | 0 | 0 | 0 | 109.8 | L21 Y22 | L21-H29 CarbonylContact O-C 3.48Å; L21-H29 WeakPolarHBondContact O-CA 3.26Å; Y22-H29 AromaticContact CD2-CD2 3.67Å; Y22-H29 AromaticContact CD2-CE1 3.74Å; Y22-H29 AromaticContact CD2-NE2 3.41Å; Y22-H29 WeakPolarHBondContact CD2-NE2 3.48Å; Y22-H29 AromaticContact CG-CE1 3.97Å |
| 30 | V | 96.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.012 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 157.3 | 178.4 | -57 | 0 | 0 | 0 | 0 | 111.6 | N20 L21 V23 L28 L38 Y42 L64 | N20-V30 PolarHBondContact N-O 2.88Å; L21-V30 HydrophobicContact CB-CG2 4.25Å; L21-V30 PolarHBondContact N-O 2.79Å; L21-V30 PolarHBondContact O-N 3.42Å; V23-V30 HydrophobicContact CG2-CG1 4.49Å; V23-V30 HydrophobicContact CG2-CG2 3.95Å; L28-V30 HydrophobicContact CD2-CG1 3.72Å; L28-V30 HydrophobicContact CG-CG1 3.81Å; V30-L38 HydrophobicContact CB-CD1 4.27Å; V30-L38 HydrophobicContact CG1-CD1 4.46Å; V30-L38 HydrophobicContact CG2-CD1 4.27Å; V30-Y42 HydrophobicContact CB-CD1 4.31Å; V30-Y42 HydrophobicContact CB-CD2 4.22Å; V30-Y42 HydrophobicContact CB-CE1 4.1Å; V30-Y42 HydrophobicContact CB-CE2 4.05Å; V30-Y42 HydrophobicContact CB-CG 4.36Å; V30-Y42 HydrophobicContact CG1-CD1 3.77Å; V30-Y42 HydrophobicContact CG1-CD2 4.33Å; V30-Y42 HydrophobicContact CG1-CE1 3.94Å; V30-Y42 HydrophobicContact CG1-CG 3.97Å; V30-L64 HydrophobicContact CG2-CD1 4.14Å; V30-L64 HydrophobicContact CG2-CD2 3.5Å; V30-L64 VanDerWaalsContact CG2-CD2 3.5Å; V30-L64 HydrophobicContact CG2-CG 4.48Å |
| 31 | R | 96.6 | Very high | 95.3 | Very high | 73 Ų | 73 | 64.1 Ų | 64.1 | 28% | 0.275 | 31% | 0.308 | S | S | . | . | trans | -93.3 | 130.5 | 159.5 | -179.3 | -177.2 | -65.7 | 153.8 | 7.7 | 108.5 | T18 D19 R33 Q37 Y42 | T18-R31 CarbonylContact O-C 3.45Å; T18-R31 WeakPolarHBondContact O-CA 3.38Å; T18-R31 WeakPolarHBondContact O-CG 3.23Å; D19-R31 IonicContact OD1-CZ 3.68Å; D19-R31 IonicContact OD1-NE 2.67Å; D19-R31 PolarHBondContact OD1-NE 2.91Å; D19-R31 IonicContact OD1-NH2 3.89Å; D19-R31 PolarHBondContact OD1-NH2 2.76Å; D19-R31 IonicContact OD2-NE 2.79Å; R31-R33 HydrophobicContact CG-CG 4.45Å; R31-Q37 PolarHBondContact O-NE2 3.08Å; R31-Q37 PolarHBondContact O-OE1 2.81Å; R31-Q37 VanDerWaalsContact O-OE1 3.07Å; R31-Y42 HydrophobicContact CB-CE2 4.25Å; R31-Y42 PolarHBondContact N-OH 2.94Å; R31-Y42 WeakPolarHBondContact O-CE2 3.4Å | ||
| 32 | F | 97.4 | Very high | 95.4 | Very high | 19 Ų | 19 | 66.4 Ų | 66.4 | 8% | 0.083 | 32% | 0.317 | C | S | . | . | trans | -126.1 | 116 | 177.8 | -173.8 | -122.3 | 0 | 0 | 0 | 110.9 | T18 L21 L38 L61 L64 E65 V68 | T18-F32 WeakPolarHBondContact CB-O 3.38Å; T18-F32 WeakPolarHBondContact CG2-O 3.47Å; T18-F32 PolarHBondContact O-N 2.98Å; L21-F32 HydrophobicContact CD1-CB 3.47Å; L21-F32 VanDerWaalsContact CD1-CB 3.47Å; L21-F32 HydrophobicContact CD1-CG 4.48Å; F32-L38 HydrophobicContact CD2-CB 4.24Å; F32-L38 HydrophobicContact CD2-CD2 4.22Å; F32-L38 HydrophobicContact CE2-CD2 4.24Å; F32-L61 HydrophobicContact CE2-CD2 3.79Å; F32-L61 HydrophobicContact CZ-CD2 4.14Å; F32-L64 HydrophobicContact CB-CD1 4.38Å; F32-L64 HydrophobicContact CB-CD2 4.44Å; F32-L64 HydrophobicContact CD1-CB 3.82Å; F32-L64 HydrophobicContact CD2-CB 4.37Å; F32-L64 HydrophobicContact CD2-CD1 3.82Å; F32-L64 HydrophobicContact CE1-CB 3.97Å; F32-L64 HydrophobicContact CE2-CD1 4.24Å; F32-L64 HydrophobicContact CG-CB 4.04Å; F32-L64 HydrophobicContact CG-CD1 4.06Å; F32-L64 HydrophobicContact CG-CG 4.5Å; F32-L64 HydrophobicContact CZ-CB 4.31Å; F32-E65 HydrophobicContact CE1-CG 3.86Å; F32-E65 HydrophobicContact CZ-CG 4.06Å; F32-V68 HydrophobicContact CD1-CG2 4Å | ||
| 33 | R | 95.2 | Very high | 95.5 | Very high | 154 Ų | 154 | 60.4 Ų | 60.4 | 58% | 0.581 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -123.6 | 1.2 | 171.5 | -64.1 | 179.1 | 177.2 | -176.5 | -7 | 112.6 | T18 R31 | T18-R33 HydrophobicContact CG2-CG 4.16Å; R31-R33 HydrophobicContact CG-CG 4.45Å |
| 34 | G | 95.5 | Very high | 95.6 | Very high | 26 Ų | 26 | 64.2 Ų | 64.2 | 27% | 0.268 | 32% | 0.319 | S | S | . | . | trans | 142.7 | 159.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q36 Q37 L38 | G34-Q36 PolarHBondContact O-N 2.87Å; G34-Q37 PolarHBondContact O-N 2.82Å; G34-Q37 VanDerWaalsContact O-N 3.16Å; G34-L38 PolarHBondContact O-N 2.7Å; G34-L38 VanDerWaalsContact O-N 3.13Å | ||
| 35 | E | 96.3 | Very high | 95.9 | Very high | 92 Ų | 92 | 63.7 Ų | 63.7 | 43% | 0.43 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -53 | -47.9 | -173.3 | -177.7 | 178.1 | 168.1 | 0 | 0 | 113.5 | Q37 L38 L39 F57 L61 | E35-Q37 VanDerWaalsContact C-N 3.29Å; E35-Q37 PolarHBondContact O-N 3.16Å; E35-L38 WeakPolarHBondContact O-CB 3.44Å; E35-L38 PolarHBondContact O-N 2.73Å; E35-L39 HydrophobicContact CG-CD1 4.13Å; E35-L39 PolarHBondContact O-N 3.09Å; E35-F57 HydrophobicContact CG-CE1 3.71Å; E35-F57 HydrophobicContact CG-CZ 4.09Å; E35-L61 HydrophobicContact CB-CD1 4.43Å; E35-L61 HydrophobicContact CB-CD2 4.13Å; E35-L61 HydrophobicContact CG-CD1 3.95Å; E35-L61 HydrophobicContact CG-CD2 4.19Å |
| 36 | Q | 96.4 | Very high | 96.1 | Very high | 144 Ų | 144 | 58.5 Ų | 58.5 | 67% | 0.673 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.5 | -37 | -176.9 | -62.7 | -174.4 | -2.5 | 0 | 0 | 112.5 | G34 R40 | G34-Q36 PolarHBondContact O-N 2.87Å; Q36-R40 VanDerWaalsContact O-CG 3.29Å; Q36-R40 WeakPolarHBondContact O-CG 3.36Å; Q36-R40 PolarHBondContact O-N 3.11Å |
| 37 | Q | 96.9 | Very high | 96.2 | Very high | 18 Ų | 18 | 64.5 Ų | 64.5 | 8% | 0.084 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69.9 | -43.3 | 176.7 | 173.3 | -88.4 | -45.3 | 0 | 0 | 110.7 | R31 G34 E35 L39 R40 D41 | R31-Q37 PolarHBondContact O-NE2 3.08Å; R31-Q37 PolarHBondContact O-OE1 2.81Å; R31-Q37 VanDerWaalsContact O-OE1 3.07Å; G34-Q37 PolarHBondContact O-N 2.82Å; G34-Q37 VanDerWaalsContact O-N 3.16Å; E35-Q37 VanDerWaalsContact C-N 3.29Å; E35-Q37 PolarHBondContact O-N 3.16Å; Q37-L39 VanDerWaalsContact C-N 3.32Å; Q37-L39 PolarHBondContact O-N 3.25Å; Q37-R40 PolarHBondContact O-N 2.95Å; Q37-D41 WeakPolarHBondContact CG-OD2 2.87Å; Q37-D41 PolarHBondContact NE2-OD2 2.71Å; Q37-D41 WeakPolarHBondContact O-CB 3.45Å; Q37-D41 PolarHBondContact O-N 2.77Å |
| 38 | L | 97 | Very high | 96.3 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.4 | -44.8 | 177.5 | -173.5 | 68.1 | 0 | 0 | 0 | 111.8 | V30 F32 G34 E35 Y42 G43 L46 F57 L60 L61 L64 | V30-L38 HydrophobicContact CB-CD1 4.27Å; V30-L38 HydrophobicContact CG1-CD1 4.46Å; V30-L38 HydrophobicContact CG2-CD1 4.27Å; F32-L38 HydrophobicContact CD2-CB 4.24Å; F32-L38 HydrophobicContact CD2-CD2 4.22Å; F32-L38 HydrophobicContact CE2-CD2 4.24Å; G34-L38 PolarHBondContact O-N 2.7Å; G34-L38 VanDerWaalsContact O-N 3.13Å; E35-L38 WeakPolarHBondContact O-CB 3.44Å; E35-L38 PolarHBondContact O-N 2.73Å; L38-Y42 HydrophobicContact CD1-CD2 3.93Å; L38-Y42 HydrophobicContact CD1-CG 4.37Å; L38-Y42 WeakPolarHBondContact O-CA 3.35Å; L38-Y42 WeakPolarHBondContact O-CB 3.26Å; L38-Y42 PolarHBondContact O-N 3.02Å; L38-G43 PolarHBondContact O-N 3.09Å; L38-L46 HydrophobicContact CD1-CD1 4.33Å; L38-L46 HydrophobicContact CG-CD1 4.27Å; L38-F57 HydrophobicContact CD2-CE2 3.85Å; L38-F57 HydrophobicContact CD2-CZ 3.98Å; L38-F57 HydrophobicContact CG-CE2 4.28Å; L38-F57 HydrophobicContact CG-CZ 4.47Å; L38-L60 HydrophobicContact CD2-CD2 3.96Å; L38-L60 HydrophobicContact CD2-CG 4.2Å; L38-L61 HydrophobicContact CD2-CD2 3.78Å; L38-L64 HydrophobicContact CD1-CD1 3.97Å; L38-L64 HydrophobicContact CD2-CD1 3.52Å; L38-L64 HydrophobicContact CG-CD1 4.41Å |
| 39 | L | 95.8 | Very high | 96.5 | Very high | 72 Ų | 72 | 71.5 Ų | 71.5 | 38% | 0.377 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 177.4 | -76.4 | 171.9 | 0 | 0 | 0 | 112.8 | E35 Q37 G43 F57 | E35-L39 HydrophobicContact CG-CD1 4.13Å; E35-L39 PolarHBondContact O-N 3.09Å; Q37-L39 VanDerWaalsContact C-N 3.32Å; Q37-L39 PolarHBondContact O-N 3.25Å; L39-G43 VanDerWaalsContact O-CA 3.25Å; L39-G43 WeakPolarHBondContact O-CA 3.34Å; L39-G43 PolarHBondContact O-N 2.98Å; L39-F57 HydrophobicContact CD1-CE1 4.15Å; L39-F57 HydrophobicContact CD1-CZ 4.2Å; L39-F57 HydrophobicContact CD2-CD1 4.37Å; L39-F57 HydrophobicContact CD2-CD2 4.22Å; L39-F57 HydrophobicContact CD2-CE1 3.75Å; L39-F57 HydrophobicContact CD2-CE2 3.6Å; L39-F57 HydrophobicContact CD2-CZ 3.36Å; L39-F57 HydrophobicContact CG-CE1 3.89Å; L39-F57 HydrophobicContact CG-CE2 4.13Å; L39-F57 HydrophobicContact CG-CZ 3.45Å; L39-F57 VanDerWaalsContact CG-CZ 3.45Å |
| 40 | R | 97 | Very high | 96.5 | Very high | 161 Ų | 161 | 68.3 Ų | 68.3 | 61% | 0.608 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -66.1 | -48.1 | -179.8 | -74.2 | -173 | -50.8 | -103.3 | 2 | 111.9 | Q36 Q37 | Q36-R40 VanDerWaalsContact O-CG 3.29Å; Q36-R40 WeakPolarHBondContact O-CG 3.36Å; Q36-R40 PolarHBondContact O-N 3.11Å; Q37-R40 PolarHBondContact O-N 2.95Å |
| 41 | D | 97.3 | Very high | 96.5 | Very high | 88 Ų | 88 | 68.6 Ų | 68.6 | 47% | 0.471 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -85 | -36.4 | -168.9 | -62.5 | -1 | 0 | 0 | 0 | 111.9 | Q37 | Q37-D41 WeakPolarHBondContact CG-OD2 2.87Å; Q37-D41 PolarHBondContact NE2-OD2 2.71Å; Q37-D41 WeakPolarHBondContact O-CB 3.45Å; Q37-D41 PolarHBondContact O-N 2.77Å |
| 42 | Y | 97.3 | Very high | 96.4 | Very high | 49 Ų | 49 | 70.4 Ų | 70.4 | 19% | 0.192 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -119.1 | -8.1 | -171.4 | -59.8 | -84.6 | 0 | 0 | 0 | 114 | L28 V30 R31 L38 I45 L46 | L28-Y42 HydrophobicContact CD2-CD1 4.06Å; V30-Y42 HydrophobicContact CB-CD1 4.31Å; V30-Y42 HydrophobicContact CB-CD2 4.22Å; V30-Y42 HydrophobicContact CB-CE1 4.1Å; V30-Y42 HydrophobicContact CB-CE2 4.05Å; V30-Y42 HydrophobicContact CB-CG 4.36Å; V30-Y42 HydrophobicContact CG1-CD1 3.77Å; V30-Y42 HydrophobicContact CG1-CD2 4.33Å; V30-Y42 HydrophobicContact CG1-CE1 3.94Å; V30-Y42 HydrophobicContact CG1-CG 3.97Å; R31-Y42 HydrophobicContact CB-CE2 4.25Å; R31-Y42 PolarHBondContact N-OH 2.94Å; R31-Y42 WeakPolarHBondContact O-CE2 3.4Å; L38-Y42 HydrophobicContact CD1-CD2 3.93Å; L38-Y42 HydrophobicContact CD1-CG 4.37Å; L38-Y42 WeakPolarHBondContact O-CA 3.35Å; L38-Y42 WeakPolarHBondContact O-CB 3.26Å; L38-Y42 PolarHBondContact O-N 3.02Å; Y42-I45 HydrophobicContact CD1-CG2 4.2Å; Y42-I45 WeakPolarHBondContact O-CG2 3.3Å; Y42-I45 PolarHBondContact O-N 3.27Å; Y42-I45 VanDerWaalsContact O-N 3.17Å; Y42-L46 VanDerWaalsContact O-CB 3.31Å; Y42-L46 WeakPolarHBondContact O-CB 3.07Å; Y42-L46 VanDerWaalsContact O-CG 3.23Å; Y42-L46 WeakPolarHBondContact O-CG 3.49Å; Y42-L46 PolarHBondContact O-N 3.28Å |
| 43 | G | 96.1 | Very high | 96.4 | Very high | 3 Ų | 3 | 71.9 Ų | 71.9 | 3% | 0.031 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -50.5 | -48.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L38 L39 R47 | L38-G43 PolarHBondContact O-N 3.09Å; L39-G43 VanDerWaalsContact O-CA 3.25Å; L39-G43 WeakPolarHBondContact O-CA 3.34Å; L39-G43 PolarHBondContact O-N 2.98Å; G43-R47 WeakPolarHBondContact O-CB 3.31Å; G43-R47 WeakPolarHBondContact O-CG 3.44Å; G43-R47 PolarHBondContact O-N 3.43Å |
| 44 | P | 96.8 | Very high | 96.4 | Very high | 84 Ų | 84 | 68.4 Ų | 68.4 | 55% | 0.545 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.8 | -47.2 | 177 | -25.4 | 35.5 | 0 | 0 | 0 | 113.8 | R47 S48 | P44-R47 PolarHBondContact O-N 2.68Å; P44-S48 PolarHBondContact O-N 2.97Å |
| 45 | I | 97.2 | Very high | 96.4 | Very high | 61 Ų | 61 | 74.8 Ų | 74.8 | 31% | 0.313 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -71.4 | -38.3 | -178.2 | -171.5 | 163.6 | 0 | 0 | 0 | 111.5 | L28 Y42 R47 S48 R49 | L28-I45 HydrophobicContact CD1-CD1 4.17Å; L28-I45 HydrophobicContact CD2-CG2 3.88Å; Y42-I45 HydrophobicContact CD1-CG2 4.2Å; Y42-I45 WeakPolarHBondContact O-CG2 3.3Å; Y42-I45 PolarHBondContact O-N 3.27Å; Y42-I45 VanDerWaalsContact O-N 3.17Å; I45-R47 PolarHBondContact O-N 3.18Å; I45-S48 WeakPolarHBondContact CA-OG 3.45Å; I45-S48 PolarHBondContact O-N 3.42Å; I45-S48 PolarHBondContact O-OG 2.93Å; I45-R49 HydrophobicContact CG1-CG 4.49Å; I45-R49 WeakPolarHBondContact O-CG 3.29Å; I45-R49 PolarHBondContact O-N 3.5Å |
| 46 | L | 96.9 | Very high | 96.4 | Very high | 2 Ų | 2 | 72.1 Ų | 72.1 | 1% | 0.01 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60 | -45.2 | 174.6 | -73 | 169.1 | 0 | 0 | 0 | 111 | Y26 L28 L38 Y42 S48 R49 G50 C51 L60 | Y26-L46 HydrophobicContact CD2-CD2 3.67Å; Y26-L46 HydrophobicContact CE2-CD2 4.23Å; Y26-L46 HydrophobicContact CG-CD2 4.18Å; L28-L46 HydrophobicContact CD2-CD2 4.09Å; L38-L46 HydrophobicContact CD1-CD1 4.33Å; L38-L46 HydrophobicContact CG-CD1 4.27Å; Y42-L46 VanDerWaalsContact O-CB 3.31Å; Y42-L46 WeakPolarHBondContact O-CB 3.07Å; Y42-L46 VanDerWaalsContact O-CG 3.23Å; Y42-L46 WeakPolarHBondContact O-CG 3.49Å; Y42-L46 PolarHBondContact O-N 3.28Å; L46-S48 PolarHBondContact O-N 3.13Å; L46-R49 CarbonylContact O-C 3.57Å; L46-R49 PolarHBondContact O-N 2.69Å; L46-R49 VanDerWaalsContact O-N 3.11Å; L46-G50 PolarHBondContact O-N 3.29Å; L46-C51 HydrophobicContact CB-CB 3.89Å; L46-C51 VanDerWaalsContact O-CB 3.28Å; L46-C51 WeakPolarHBondContact O-CB 3.35Å; L46-C51 PolarHBondContact O-N 2.76Å; L46-L60 HydrophobicContact CD1-CD2 3.57Å; L46-L60 HydrophobicContact CD2-CD2 3.77Å; L46-L60 HydrophobicContact CG-CD2 4.27Å |
| 47 | R | 96.4 | Very high | 96.4 | Very high | 141 Ų | 141 | 66.4 Ų | 66.4 | 53% | 0.532 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60 | -45.4 | 174 | -78.9 | -172.1 | -69.9 | -95.6 | 2.9 | 112.2 | G43 P44 I45 R49 G50 C51 | G43-R47 WeakPolarHBondContact O-CB 3.31Å; G43-R47 WeakPolarHBondContact O-CG 3.44Å; G43-R47 PolarHBondContact O-N 3.43Å; P44-R47 PolarHBondContact O-N 2.68Å; I45-R47 PolarHBondContact O-N 3.18Å; R47-R49 PolarHBondContact O-N 3.45Å; R47-G50 PolarHBondContact O-N 3.13Å; R47-G50 VanDerWaalsContact O-N 3.08Å; R47-C51 WeakPolarHBondContact CG-O 3.48Å |
| 48 | S | 96.7 | Very high | 96.4 | Very high | 95 Ų | 95 | 71 Ų | 71 | 66% | 0.664 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -63.2 | -21.7 | 177.1 | 71.6 | 0 | 0 | 0 | 0 | 113.7 | P44 I45 L46 | P44-S48 PolarHBondContact O-N 2.97Å; I45-S48 WeakPolarHBondContact CA-OG 3.45Å; I45-S48 PolarHBondContact O-N 3.42Å; I45-S48 PolarHBondContact O-OG 2.93Å; L46-S48 PolarHBondContact O-N 3.13Å |
| 49 | R | 96.2 | Very high | 96.4 | Very high | 111 Ų | 111 | 74.8 Ų | 74.8 | 42% | 0.419 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 12.1 | 178.2 | -65.1 | -170 | -178.2 | -166.3 | -1.8 | 113.2 | Y26 G27 I45 L46 R47 | Y26-R49 HydrophobicContact CD1-CB 4.24Å; Y26-R49 VanDerWaalsContact CD1-O 3.3Å; Y26-R49 WeakPolarHBondContact CD1-O 3.39Å; Y26-R49 WeakPolarHBondContact O-CD 3.44Å; Y26-R49 PolarHBondContact O-NH1 2.91Å; G27-R49 VanDerWaalsContact C-NH1 3.27Å; G27-R49 PolarHBondContact O-NH1 3.08Å; I45-R49 HydrophobicContact CG1-CG 4.49Å; I45-R49 WeakPolarHBondContact O-CG 3.29Å; I45-R49 PolarHBondContact O-N 3.5Å; L46-R49 CarbonylContact O-C 3.57Å; L46-R49 PolarHBondContact O-N 2.69Å; L46-R49 VanDerWaalsContact O-N 3.11Å; R47-R49 PolarHBondContact O-N 3.45Å |
| 50 | G | 94.9 | Very high | 96.5 | Very high | 40 Ų | 40 | 71.4 Ų | 71.4 | 41% | 0.412 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.6 | 1.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | L46 R47 V52 | L46-G50 PolarHBondContact O-N 3.29Å; R47-G50 PolarHBondContact O-N 3.13Å; R47-G50 VanDerWaalsContact O-N 3.08Å; G50-V52 VanDerWaalsContact C-N 3.3Å; G50-V52 PolarHBondContact O-N 3.02Å |
| 51 | C | 96.2 | Very high | 96.5 | Very high | 8 Ų | 8 | 64.1 Ų | 64.1 | 5% | 0.054 | 35% | 0.347 | C | S | . | . | trans | -79.1 | 76.5 | 171.8 | -170.2 | 0 | 0 | 0 | 0 | 110.3 | Y26 L46 R47 | Y26-C51 HydrophobicContact CE1-CB 3.8Å; Y26-C51 HydrophobicContact CE2-CB 3.98Å; Y26-C51 VanDerWaalsContact CZ-CB 3.46Å; Y26-C51 WeakPolarHBondContact OH-CB 3.38Å; L46-C51 HydrophobicContact CB-CB 3.89Å; L46-C51 VanDerWaalsContact O-CB 3.28Å; L46-C51 WeakPolarHBondContact O-CB 3.35Å; L46-C51 PolarHBondContact O-N 2.76Å; R47-C51 WeakPolarHBondContact CG-O 3.48Å | ||
| 52 | V | 95.4 | Very high | 96.4 | Very high | 111 Ų | 111 | 61.8 Ų | 61.8 | 67% | 0.673 | 34% | 0.34 | S | S | * | . | trans | -108.2 | -25.3 | -169.7 | -64.6 | 0 | 0 | 0 | 0 | 114.1 | G50 D56 | G50-V52 VanDerWaalsContact C-N 3.3Å; G50-V52 PolarHBondContact O-N 3.02Å; V52-D56 PolarHBondContact N-OD2 3.32Å | ||
| 53 | S | 96.1 | Very high | 96.4 | Very high | 49 Ų | 49 | 62.1 Ų | 62.1 | 34% | 0.343 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -99.3 | 159.7 | 179.1 | 76.4 | 0 | 0 | 0 | 0 | 112.5 | K55 D56 F57 | S53-K55 PolarHBondContact O-N 2.83Å; S53-K55 PolarHBondContact OG-N 2.99Å; S53-D56 VanDerWaalsContact CB-OD2 3.3Å; S53-D56 WeakPolarHBondContact CB-OD2 3.47Å; S53-D56 PolarHBondContact N-OD2 2.94Å; S53-D56 PolarHBondContact O-N 2.79Å; S53-D56 PolarHBondContact OG-N 2.83Å; S53-D56 VanDerWaalsContact OG-N 3.1Å; S53-D56 PolarHBondContact OG-OD1 2.81Å; S53-D56 PolarHBondContact OG-OD2 3.09Å; S53-F57 PolarHBondContact O-N 2.82Å |
| 54 | A | 95.2 | Very high | 96.5 | Very high | 82 Ų | 82 | 62.1 Ų | 62.1 | 68% | 0.678 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -58.3 | -34.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F57 Q58 | A54-F57 PolarHBondContact O-N 3.45Å; A54-Q58 WeakPolarHBondContact O-CB 3.28Å; A54-Q58 VanDerWaalsContact O-CG 3.27Å; A54-Q58 WeakPolarHBondContact O-CG 3.49Å; A54-Q58 PolarHBondContact O-N 2.83Å |
| 55 | K | 96.9 | Very high | 96.5 | Very high | 160 Ų | 160 | 63.5 Ų | 63.5 | 70% | 0.696 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -65.6 | -43.8 | 177 | -175.5 | -179 | 176.5 | -176.9 | 0 | 111.8 | S53 F57 Q58 Q59 | S53-K55 PolarHBondContact O-N 2.83Å; S53-K55 PolarHBondContact OG-N 2.99Å; K55-F57 VanDerWaalsContact C-N 3.26Å; K55-F57 PolarHBondContact O-N 2.95Å; K55-Q58 PolarHBondContact O-N 2.94Å; K55-Q59 WeakPolarHBondContact O-CB 3.49Å; K55-Q59 PolarHBondContact O-N 3.45Å |
| 56 | D | 96.1 | Very high | 96.4 | Very high | 36 Ų | 36 | 66.6 Ų | 66.6 | 19% | 0.193 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 177.9 | -57.1 | -38.2 | 0 | 0 | 0 | 111 | V52 S53 Q59 L60 | V52-D56 PolarHBondContact N-OD2 3.32Å; S53-D56 VanDerWaalsContact CB-OD2 3.3Å; S53-D56 WeakPolarHBondContact CB-OD2 3.47Å; S53-D56 PolarHBondContact N-OD2 2.94Å; S53-D56 PolarHBondContact O-N 2.79Å; S53-D56 PolarHBondContact OG-N 2.83Å; S53-D56 VanDerWaalsContact OG-N 3.1Å; S53-D56 PolarHBondContact OG-OD1 2.81Å; S53-D56 PolarHBondContact OG-OD2 3.09Å; D56-Q59 PolarHBondContact O-N 3.04Å; D56-L60 PolarHBondContact O-N 3.24Å |
| 57 | F | 96.6 | Very high | 96.4 | Very high | 24 Ų | 24 | 68.6 Ų | 68.6 | 11% | 0.105 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -72 | -40.5 | -179.7 | -168.6 | -107.6 | 0 | 0 | 0 | 112.5 | E35 L38 L39 S53 A54 K55 Q59 L60 L61 | E35-F57 HydrophobicContact CG-CE1 3.71Å; E35-F57 HydrophobicContact CG-CZ 4.09Å; L38-F57 HydrophobicContact CD2-CE2 3.85Å; L38-F57 HydrophobicContact CD2-CZ 3.98Å; L38-F57 HydrophobicContact CG-CE2 4.28Å; L38-F57 HydrophobicContact CG-CZ 4.47Å; L39-F57 HydrophobicContact CD1-CE1 4.15Å; L39-F57 HydrophobicContact CD1-CZ 4.2Å; L39-F57 HydrophobicContact CD2-CD1 4.37Å; L39-F57 HydrophobicContact CD2-CD2 4.22Å; L39-F57 HydrophobicContact CD2-CE1 3.75Å; L39-F57 HydrophobicContact CD2-CE2 3.6Å; L39-F57 HydrophobicContact CD2-CZ 3.36Å; L39-F57 HydrophobicContact CG-CE1 3.89Å; L39-F57 HydrophobicContact CG-CE2 4.13Å; L39-F57 HydrophobicContact CG-CZ 3.45Å; L39-F57 VanDerWaalsContact CG-CZ 3.45Å; S53-F57 PolarHBondContact O-N 2.82Å; A54-F57 PolarHBondContact O-N 3.45Å; K55-F57 VanDerWaalsContact C-N 3.26Å; K55-F57 PolarHBondContact O-N 2.95Å; F57-Q59 VanDerWaalsContact C-N 3.31Å; F57-Q59 PolarHBondContact O-N 3.27Å; F57-L60 HydrophobicContact CD2-CD2 4.1Å; F57-L60 HydrophobicContact CE2-CD2 4.17Å; F57-L60 WeakPolarHBondContact O-CB 3.34Å; F57-L60 PolarHBondContact O-N 3.25Å; F57-L61 HydrophobicContact CD1-CD1 4.02Å; F57-L61 HydrophobicContact CD1-CG 4.35Å; F57-L61 HydrophobicContact CE1-CD1 3.7Å; F57-L61 HydrophobicContact CE1-CD2 4.25Å; F57-L61 HydrophobicContact CE1-CG 4Å; F57-L61 HydrophobicContact CZ-CD1 4.39Å; F57-L61 HydrophobicContact CZ-CD2 4.12Å; F57-L61 HydrophobicContact CZ-CG 4.25Å; F57-L61 WeakPolarHBondContact O-CG 3.46Å; F57-L61 PolarHBondContact O-N 2.88Å |
| 58 | Q | 96.9 | Very high | 96.4 | Very high | 113 Ų | 113 | 63 Ų | 63 | 53% | 0.528 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.1 | -39.3 | 173.5 | -73.4 | -63.8 | -43 | 0 | 0 | 112 | A54 K55 L61 A62 | A54-Q58 WeakPolarHBondContact O-CB 3.28Å; A54-Q58 VanDerWaalsContact O-CG 3.27Å; A54-Q58 WeakPolarHBondContact O-CG 3.49Å; A54-Q58 PolarHBondContact O-N 2.83Å; K55-Q58 PolarHBondContact O-N 2.94Å; Q58-L61 PolarHBondContact O-N 2.95Å; Q58-A62 PolarHBondContact O-N 3.43Å; Q58-A62 VanDerWaalsContact O-N 3.09Å |
| 59 | Q | 96.5 | Very high | 96.4 | Very high | 81 Ų | 81 | 62.8 Ų | 62.8 | 38% | 0.379 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 175.1 | -171.2 | 165 | 24.4 | 0 | 0 | 112 | R25 K55 D56 F57 A62 E63 | R25-Q59 VanDerWaalsContact CZ-CD 3.45Å; R25-Q59 VanDerWaalsContact CZ-OE1 3.28Å; R25-Q59 VanDerWaalsContact NH2-OE1 3.14Å; K55-Q59 WeakPolarHBondContact O-CB 3.49Å; K55-Q59 PolarHBondContact O-N 3.45Å; D56-Q59 PolarHBondContact O-N 3.04Å; F57-Q59 VanDerWaalsContact C-N 3.31Å; F57-Q59 PolarHBondContact O-N 3.27Å; Q59-A62 PolarHBondContact O-N 2.99Å; Q59-E63 WeakPolarHBondContact O-CG 3.35Å; Q59-E63 PolarHBondContact O-N 2.78Å |
| 60 | L | 97.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.3 | -44.9 | 173.3 | 171.8 | 62 | 0 | 0 | 0 | 112.4 | V23 Y26 L38 L46 D56 F57 E63 L64 | V23-L60 HydrophobicContact CB-CD1 4.32Å; V23-L60 HydrophobicContact CG1-CD1 3.52Å; V23-L60 HydrophobicContact CG2-CD1 3.89Å; Y26-L60 HydrophobicContact CD2-CD1 4.21Å; Y26-L60 HydrophobicContact CE2-CB 4.24Å; Y26-L60 HydrophobicContact CE2-CD1 4.06Å; Y26-L60 HydrophobicContact CE2-CD2 4.13Å; Y26-L60 HydrophobicContact CE2-CG 4.39Å; L38-L60 HydrophobicContact CD2-CD2 3.96Å; L38-L60 HydrophobicContact CD2-CG 4.2Å; L46-L60 HydrophobicContact CD1-CD2 3.57Å; L46-L60 HydrophobicContact CD2-CD2 3.77Å; L46-L60 HydrophobicContact CG-CD2 4.27Å; D56-L60 PolarHBondContact O-N 3.24Å; F57-L60 HydrophobicContact CD2-CD2 4.1Å; F57-L60 HydrophobicContact CE2-CD2 4.17Å; F57-L60 WeakPolarHBondContact O-CB 3.34Å; F57-L60 PolarHBondContact O-N 3.25Å; L60-E63 PolarHBondContact O-N 3.45Å; L60-L64 HydrophobicContact CD1-CD1 3.89Å; L60-L64 HydrophobicContact CD1-CG 4.11Å; L60-L64 HydrophobicContact CG-CD1 4.02Å; L60-L64 WeakPolarHBondContact O-CG 3.44Å; L60-L64 PolarHBondContact O-N 2.98Å |
| 61 | L | 97.3 | Very high | 96.3 | Very high | 8 Ų | 8 | 60.9 Ų | 60.9 | 4% | 0.042 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.4 | -47.7 | 177.9 | -71.4 | 174 | 0 | 0 | 0 | 110.9 | F32 E35 L38 F57 Q58 E63 L64 E65 | F32-L61 HydrophobicContact CE2-CD2 3.79Å; F32-L61 HydrophobicContact CZ-CD2 4.14Å; E35-L61 HydrophobicContact CB-CD1 4.43Å; E35-L61 HydrophobicContact CB-CD2 4.13Å; E35-L61 HydrophobicContact CG-CD1 3.95Å; E35-L61 HydrophobicContact CG-CD2 4.19Å; L38-L61 HydrophobicContact CD2-CD2 3.78Å; F57-L61 HydrophobicContact CD1-CD1 4.02Å; F57-L61 HydrophobicContact CD1-CG 4.35Å; F57-L61 HydrophobicContact CE1-CD1 3.7Å; F57-L61 HydrophobicContact CE1-CD2 4.25Å; F57-L61 HydrophobicContact CE1-CG 4Å; F57-L61 HydrophobicContact CZ-CD1 4.39Å; F57-L61 HydrophobicContact CZ-CD2 4.12Å; F57-L61 HydrophobicContact CZ-CG 4.25Å; F57-L61 WeakPolarHBondContact O-CG 3.46Å; F57-L61 PolarHBondContact O-N 2.88Å; Q58-L61 PolarHBondContact O-N 2.95Å; L61-E63 VanDerWaalsContact C-N 3.34Å; L61-E63 PolarHBondContact O-N 2.6Å; L61-L64 PolarHBondContact O-N 2.78Å; L61-E65 WeakPolarHBondContact O-CB 3.31Å; L61-E65 WeakPolarHBondContact O-CG 3.43Å; L61-E65 PolarHBondContact O-N 2.8Å |
| 62 | A | 96.6 | Very high | 96.2 | Very high | 39 Ų | 39 | 65.5 Ų | 65.5 | 32% | 0.322 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.6 | -42.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q58 Q59 L64 Q66 | Q58-A62 PolarHBondContact O-N 3.43Å; Q58-A62 VanDerWaalsContact O-N 3.09Å; Q59-A62 PolarHBondContact O-N 2.99Å; A62-L64 PolarHBondContact O-N 2.92Å; A62-Q66 WeakPolarHBondContact O-CB 3.41Å; A62-Q66 WeakPolarHBondContact O-CG 3.3Å; A62-Q66 PolarHBondContact O-N 2.95Å |
| 63 | E | 96.4 | Very high | 96.2 | Very high | 57 Ų | 57 | 65 Ų | 65 | 27% | 0.266 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61 | -42.4 | 175.8 | -74.4 | 173 | -165.8 | 0 | 0 | 111.7 | R25 Q59 L60 L61 E67 | R25-E63 IonicContact CZ-OE1 3.96Å; R25-E63 IonicContact NE-OE1 2.7Å; R25-E63 PolarHBondContact NE-OE1 3.48Å; R25-E63 IonicContact NE-OE2 3.03Å; R25-E63 IonicContact NH2-OE1 2.73Å; R25-E63 PolarHBondContact NH2-OE1 3.36Å; Q59-E63 WeakPolarHBondContact O-CG 3.35Å; Q59-E63 PolarHBondContact O-N 2.78Å; L60-E63 PolarHBondContact O-N 3.45Å; L61-E63 VanDerWaalsContact C-N 3.34Å; L61-E63 PolarHBondContact O-N 2.6Å; E63-E67 PolarHBondContact O-N 3.42Å; E63-E67 VanDerWaalsContact O-N 3.08Å |
| 64 | L | 97.4 | Very high | 96 | Very high | 3 Ų | 3 | 65.1 Ų | 65.1 | 2% | 0.016 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -69.7 | -44.6 | 179 | -72.7 | 169.4 | 0 | 0 | 0 | 112.3 | L21 V23 V30 F32 L38 L60 L61 A62 Q66 E67 V68 | L21-L64 HydrophobicContact CB-CD2 3.92Å; L21-L64 HydrophobicContact CD1-CD2 4.05Å; V23-L64 HydrophobicContact CG2-CD2 3.72Å; V23-L64 HydrophobicContact CG2-CG 4.35Å; V30-L64 HydrophobicContact CG2-CD1 4.14Å; V30-L64 HydrophobicContact CG2-CD2 3.5Å; V30-L64 VanDerWaalsContact CG2-CD2 3.5Å; V30-L64 HydrophobicContact CG2-CG 4.48Å; F32-L64 HydrophobicContact CB-CD1 4.38Å; F32-L64 HydrophobicContact CB-CD2 4.44Å; F32-L64 HydrophobicContact CD1-CB 3.82Å; F32-L64 HydrophobicContact CD2-CB 4.37Å; F32-L64 HydrophobicContact CD2-CD1 3.82Å; F32-L64 HydrophobicContact CE1-CB 3.97Å; F32-L64 HydrophobicContact CE2-CD1 4.24Å; F32-L64 HydrophobicContact CG-CB 4.04Å; F32-L64 HydrophobicContact CG-CD1 4.06Å; F32-L64 HydrophobicContact CG-CG 4.5Å; F32-L64 HydrophobicContact CZ-CB 4.31Å; L38-L64 HydrophobicContact CD1-CD1 3.97Å; L38-L64 HydrophobicContact CD2-CD1 3.52Å; L38-L64 HydrophobicContact CG-CD1 4.41Å; L60-L64 HydrophobicContact CD1-CD1 3.89Å; L60-L64 HydrophobicContact CD1-CG 4.11Å; L60-L64 HydrophobicContact CG-CD1 4.02Å; L60-L64 WeakPolarHBondContact O-CG 3.44Å; L60-L64 PolarHBondContact O-N 2.98Å; L61-L64 PolarHBondContact O-N 2.78Å; A62-L64 PolarHBondContact O-N 2.92Å; L64-Q66 VanDerWaalsContact C-N 3.32Å; L64-Q66 PolarHBondContact O-N 3.48Å; L64-E67 PolarHBondContact O-N 3.45Å; L64-V68 WeakPolarHBondContact O-CG2 3.22Å; L64-V68 PolarHBondContact O-N 2.82Å |
| 65 | E | 96.9 | Very high | 95.9 | Very high | 113 Ų | 113 | 61.8 Ų | 61.8 | 53% | 0.528 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.3 | -43.5 | 176.9 | -73 | 172.3 | 174.8 | 0 | 0 | 111.2 | F32 L61 E67 V68 E69 | F32-E65 HydrophobicContact CE1-CG 3.86Å; F32-E65 HydrophobicContact CZ-CG 4.06Å; L61-E65 WeakPolarHBondContact O-CB 3.31Å; L61-E65 WeakPolarHBondContact O-CG 3.43Å; L61-E65 PolarHBondContact O-N 2.8Å; E65-E67 PolarHBondContact O-N 3.1Å; E65-V68 PolarHBondContact O-N 2.93Å; E65-E69 WeakPolarHBondContact O-CB 3.47Å; E65-E69 PolarHBondContact O-N 3.09Å |
| 66 | Q | 96.1 | Very high | 95.7 | Very high | 125 Ų | 125 | 58.2 Ų | 58.2 | 58% | 0.584 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -61.8 | -41.4 | 174.9 | -74.4 | 172 | 13.7 | 0 | 0 | 112.4 | A62 L64 E69 R70 | A62-Q66 WeakPolarHBondContact O-CB 3.41Å; A62-Q66 WeakPolarHBondContact O-CG 3.3Å; A62-Q66 PolarHBondContact O-N 2.95Å; L64-Q66 VanDerWaalsContact C-N 3.32Å; L64-Q66 PolarHBondContact O-N 3.48Å; Q66-E69 PolarHBondContact O-N 3.14Å; Q66-R70 VanDerWaalsContact O-CB 3.26Å; Q66-R70 WeakPolarHBondContact O-CB 3.27Å; Q66-R70 PolarHBondContact O-N 3.38Å |
| 67 | E | 96.2 | Very high | 95.7 | Very high | 44 Ų | 44 | 60.2 Ų | 60.2 | 21% | 0.206 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.7 | -39.8 | 177.2 | 173.6 | 58.4 | -167.7 | 0 | 0 | 111.9 | L21 E63 L64 E65 R70 R71 | L21-E67 HydrophobicContact CD2-CG 3.68Å; E63-E67 PolarHBondContact O-N 3.42Å; E63-E67 VanDerWaalsContact O-N 3.08Å; L64-E67 PolarHBondContact O-N 3.45Å; E65-E67 PolarHBondContact O-N 3.1Å; E67-R70 PolarHBondContact O-N 3.44Å; E67-R70 IonicContact OE1-CZ 3.18Å; E67-R70 IonicContact OE1-NE 3.85Å; E67-R70 IonicContact OE1-NH2 2.74Å; E67-R70 PolarHBondContact OE1-NH2 3.1Å; E67-R70 IonicContact OE2-CZ 3.33Å; E67-R70 IonicContact OE2-NE 3.16Å; E67-R70 PolarHBondContact OE2-NE 3.41Å; E67-R70 IonicContact OE2-NH2 2.71Å; E67-R70 PolarHBondContact OE2-NH2 2.9Å; E67-R71 WeakPolarHBondContact O-CG 3.35Å; E67-R71 PolarHBondContact O-N 2.94Å; E67-R71 IonicContact OE1-CZ 3.84Å; E67-R71 IonicContact OE1-NE 2.96Å; E67-R71 PolarHBondContact OE1-NE 3.34Å; E67-R71 IonicContact OE1-NH2 3.09Å; E67-R71 PolarHBondContact OE1-NH2 2.9Å |
| 68 | V | 96.5 | Very high | 95.6 | Very high | 23 Ų | 23 | 60 Ų | 60 | 14% | 0.139 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.8 | -48.2 | 174.6 | 173 | 0 | 0 | 0 | 0 | 110.5 | Y17 L21 F32 L64 E65 R70 R71 Q72 | Y17-V68 WeakPolarHBondContact O-CG2 3.35Å; L21-V68 HydrophobicContact CD1-CG2 3.93Å; L21-V68 HydrophobicContact CD2-CG2 4.44Å; F32-V68 HydrophobicContact CD1-CG2 4Å; L64-V68 WeakPolarHBondContact O-CG2 3.22Å; L64-V68 PolarHBondContact O-N 2.82Å; E65-V68 PolarHBondContact O-N 2.93Å; V68-R70 VanDerWaalsContact C-N 3.34Å; V68-R70 PolarHBondContact O-N 3.21Å; V68-R71 PolarHBondContact O-N 3.42Å; V68-Q72 WeakPolarHBondContact O-CG 3.34Å; V68-Q72 PolarHBondContact O-N 3.33Å |
| 69 | E | 96.4 | Very high | 95.5 | Very high | 91 Ų | 91 | 55.8 Ų | 55.8 | 43% | 0.425 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 178.8 | -164.1 | -162.8 | -168 | 0 | 0 | 111.3 | E65 Q66 R71 Q72 R73 | E65-E69 WeakPolarHBondContact O-CB 3.47Å; E65-E69 PolarHBondContact O-N 3.09Å; Q66-E69 PolarHBondContact O-N 3.14Å; E69-R71 VanDerWaalsContact C-N 3.35Å; E69-R71 PolarHBondContact O-N 3.18Å; E69-Q72 WeakPolarHBondContact O-CB 3.31Å; E69-Q72 PolarHBondContact O-N 2.85Å; E69-R73 WeakPolarHBondContact O-CG 3.36Å; E69-R73 PolarHBondContact O-N 3.15Å; E69-R73 IonicContact OE1-CZ 3.31Å; E69-R73 IonicContact OE1-NH1 3.78Å; E69-R73 PolarHBondContact OE1-NH1 2.86Å; E69-R73 IonicContact OE2-CZ 3.89Å; E69-R73 IonicContact OE2-NH1 3.73Å; E69-R73 PolarHBondContact OE2-NH1 2.85Å; E69-R73 IonicContact OE2-NH2 2.8Å; E69-R73 PolarHBondContact OE2-NH2 3.16Å; E69-R73 VanDerWaalsContact OE2-NH2 3.1Å |
| 70 | R | 95.4 | Very high | 95.5 | Very high | 86 Ų | 86 | 54.9 Ų | 54.9 | 33% | 0.325 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58 | -46.2 | 173.6 | -169.8 | -164.7 | 68.6 | 74.5 | 3.1 | 111.2 | Q66 E67 V68 Q72 R73 L74 | Q66-R70 VanDerWaalsContact O-CB 3.26Å; Q66-R70 WeakPolarHBondContact O-CB 3.27Å; Q66-R70 PolarHBondContact O-N 3.38Å; E67-R70 PolarHBondContact O-N 3.44Å; E67-R70 IonicContact OE1-CZ 3.18Å; E67-R70 IonicContact OE1-NE 3.85Å; E67-R70 IonicContact OE1-NH2 2.74Å; E67-R70 PolarHBondContact OE1-NH2 3.1Å; E67-R70 IonicContact OE2-CZ 3.33Å; E67-R70 IonicContact OE2-NE 3.16Å; E67-R70 PolarHBondContact OE2-NE 3.41Å; E67-R70 IonicContact OE2-NH2 2.71Å; E67-R70 PolarHBondContact OE2-NH2 2.9Å; V68-R70 VanDerWaalsContact C-N 3.34Å; V68-R70 PolarHBondContact O-N 3.21Å; R70-Q72 VanDerWaalsContact C-N 3.31Å; R70-Q72 PolarHBondContact O-N 3.36Å; R70-R73 PolarHBondContact O-N 3.1Å; R70-L74 PolarHBondContact O-N 2.82Å |
| 71 | R | 94.6 | Very high | 95.5 | Very high | 25 Ų | 25 | 56.8 Ų | 56.8 | 9% | 0.094 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62 | -37.9 | 177.7 | -76.3 | -169.8 | -170.2 | -170.2 | 2.4 | 112.4 | F16 Y17 D19 N20 E67 V68 E69 R73 L74 | F16-R71 HydrophobicContact CD1-CB 4.18Å; F16-R71 HydrophobicContact CE1-CB 3.58Å; F16-R71 HydrophobicContact CE1-CG 3.85Å; F16-R71 HydrophobicContact CZ-CB 4.21Å; F16-R71 HydrophobicContact CZ-CG 3.98Å; F16-R71 WeakPolarHBondContact O-CD 3.47Å; F16-R71 PolarHBondContact O-NH1 3.38Å; Y17-R71 HydrophobicContact CD1-CB 4.02Å; Y17-R71 HydrophobicContact CE1-CB 4.4Å; D19-R71 PolarHBondContact O-NH1 2.92Å; N20-R71 PolarHBondContact O-NH2 2.9Å; E67-R71 WeakPolarHBondContact O-CG 3.35Å; E67-R71 PolarHBondContact O-N 2.94Å; E67-R71 IonicContact OE1-CZ 3.84Å; E67-R71 IonicContact OE1-NE 2.96Å; E67-R71 PolarHBondContact OE1-NE 3.34Å; E67-R71 IonicContact OE1-NH2 3.09Å; E67-R71 PolarHBondContact OE1-NH2 2.9Å; V68-R71 PolarHBondContact O-N 3.42Å; E69-R71 VanDerWaalsContact C-N 3.35Å; E69-R71 PolarHBondContact O-N 3.18Å; R71-R73 VanDerWaalsContact C-N 3.33Å; R71-L74 PolarHBondContact O-N 3.33Å |
| 72 | Q | 94.1 | Very high | 95.5 | Very high | 105 Ų | 105 | 60.9 Ų | 60.9 | 49% | 0.491 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66 | -34.9 | 175.8 | -70.9 | 170.5 | -18.6 | 0 | 0 | 112.4 | Y17 V68 E69 R70 | Y17-Q72 HydrophobicContact CD1-CG 3.74Å; Y17-Q72 HydrophobicContact CE1-CB 4.43Å; Y17-Q72 HydrophobicContact CE1-CG 3.91Å; Y17-Q72 HydrophobicContact CG-CG 4.38Å; V68-Q72 WeakPolarHBondContact O-CG 3.34Å; V68-Q72 PolarHBondContact O-N 3.33Å; E69-Q72 WeakPolarHBondContact O-CB 3.31Å; E69-Q72 PolarHBondContact O-N 2.85Å; R70-Q72 VanDerWaalsContact C-N 3.31Å; R70-Q72 PolarHBondContact O-N 3.36Å |
| 73 | R | 94.4 | Very high | 95.6 | Very high | 100 Ų | 100 | 62 Ų | 62 | 38% | 0.377 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -76.4 | -16.9 | 177.8 | -70 | -169.8 | -70.3 | -107.4 | -10.7 | 114.8 | E69 R70 R71 G75 P76 E77 | E69-R73 WeakPolarHBondContact O-CG 3.36Å; E69-R73 PolarHBondContact O-N 3.15Å; E69-R73 IonicContact OE1-CZ 3.31Å; E69-R73 IonicContact OE1-NH1 3.78Å; E69-R73 PolarHBondContact OE1-NH1 2.86Å; E69-R73 IonicContact OE2-CZ 3.89Å; E69-R73 IonicContact OE2-NH1 3.73Å; E69-R73 PolarHBondContact OE2-NH1 2.85Å; E69-R73 IonicContact OE2-NH2 2.8Å; E69-R73 PolarHBondContact OE2-NH2 3.16Å; E69-R73 VanDerWaalsContact OE2-NH2 3.1Å; R70-R73 PolarHBondContact O-N 3.1Å; R71-R73 VanDerWaalsContact C-N 3.33Å; R73-G75 PolarHBondContact O-N 3.08Å; R73-P76 WeakPolarHBondContact O-CD 3.15Å; R73-E77 HydrophobicContact CB-CG 4.19Å; R73-E77 WeakPolarHBondContact CB-OE1 3.25Å; R73-E77 IonicContact NE-OE1 3.81Å; R73-E77 VanDerWaalsContact O-CB 3.29Å; R73-E77 WeakPolarHBondContact O-CB 3.47Å; R73-E77 VanDerWaalsContact O-CG 3.24Å; R73-E77 WeakPolarHBondContact O-CG 3.47Å; R73-E77 PolarHBondContact O-N 2.85Å |
| 74 | L | 92.8 | Very high | 95.7 | Very high | 53 Ų | 53 | 63.2 Ų | 63.2 | 28% | 0.277 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -56.6 | -42.9 | -173.9 | -78.6 | 173.5 | 0 | 0 | 0 | 114.3 | F16 R70 R71 S78 | F16-L74 HydrophobicContact CE1-CD1 4.11Å; F16-L74 HydrophobicContact CZ-CD1 3.69Å; R70-L74 PolarHBondContact O-N 2.82Å; R71-L74 PolarHBondContact O-N 3.33Å; L74-S78 VanDerWaalsContact O-CB 3.27Å; L74-S78 WeakPolarHBondContact O-CB 3.38Å; L74-S78 PolarHBondContact O-N 2.87Å |
| 75 | G | 92.1 | Very high | 95.7 | Very high | 12 Ų | 12 | 63.2 Ų | 63.2 | 12% | 0.124 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.8 | -61.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | R73 E77 S78 A79 | R73-G75 PolarHBondContact O-N 3.08Å; G75-E77 VanDerWaalsContact C-N 3.3Å; G75-E77 PolarHBondContact O-N 3.03Å; G75-S78 WeakPolarHBondContact O-CB 3.45Å; G75-S78 PolarHBondContact O-N 3.5Å; G75-A79 PolarHBondContact O-N 3.29Å |
| 76 | P | 93.4 | Very high | 95.7 | Very high | 85 Ų | 85 | 62 Ų | 62 | 55% | 0.552 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -55.5 | -39.7 | 177.8 | -28.1 | 35.1 | 0 | 0 | 0 | 114.2 | R73 A79 A80 | R73-P76 WeakPolarHBondContact O-CD 3.15Å; P76-A79 PolarHBondContact O-N 2.91Å; P76-A80 WeakPolarHBondContact O-CB 3.18Å; P76-A80 PolarHBondContact O-N 3.13Å |
| 77 | E | 95.3 | Very high | 95.8 | Very high | 78 Ų | 78 | 60.2 Ų | 60.2 | 36% | 0.364 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.7 | -38.2 | 176.6 | -72.8 | 175.1 | -176 | 0 | 0 | 112 | R73 G75 A80 R81 | R73-E77 HydrophobicContact CB-CG 4.19Å; R73-E77 WeakPolarHBondContact CB-OE1 3.25Å; R73-E77 IonicContact NE-OE1 3.81Å; R73-E77 VanDerWaalsContact O-CB 3.29Å; R73-E77 WeakPolarHBondContact O-CB 3.47Å; R73-E77 VanDerWaalsContact O-CG 3.24Å; R73-E77 WeakPolarHBondContact O-CG 3.47Å; R73-E77 PolarHBondContact O-N 2.85Å; G75-E77 VanDerWaalsContact C-N 3.3Å; G75-E77 PolarHBondContact O-N 3.03Å; E77-A80 PolarHBondContact O-N 3.03Å; E77-R81 WeakPolarHBondContact O-CG 3.38Å; E77-R81 PolarHBondContact O-N 3.03Å |
| 78 | S | 95.1 | Very high | 95.9 | Very high | 18 Ų | 18 | 60.6 Ų | 60.6 | 13% | 0.126 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.2 | -43.5 | 174.8 | -171.4 | 0 | 0 | 0 | 0 | 111.7 | L74 G75 A80 R81 K82 H181 E182 | L74-S78 VanDerWaalsContact O-CB 3.27Å; L74-S78 WeakPolarHBondContact O-CB 3.38Å; L74-S78 PolarHBondContact O-N 2.87Å; G75-S78 WeakPolarHBondContact O-CB 3.45Å; G75-S78 PolarHBondContact O-N 3.5Å; S78-A80 PolarHBondContact O-N 3.07Å; S78-R81 PolarHBondContact O-N 2.79Å; S78-K82 WeakPolarHBondContact O-CB 3.48Å; S78-K82 PolarHBondContact O-N 3.11Å; S78-H181 PolarHBondContact OG-NE2 3.19Å; S78-E182 WeakPolarHBondContact CA-OE1 3.42Å; S78-E182 VanDerWaalsContact CB-OE1 3.28Å; S78-E182 WeakPolarHBondContact CB-OE1 3.46Å; S78-E182 PolarHBondContact OG-OE1 2.84Å |
| 79 | A | 94.7 | Very high | 96 | Very high | 25 Ų | 25 | 60.6 Ų | 60.6 | 21% | 0.207 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.7 | -46.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G75 P76 K82 A83 E330 | G75-A79 PolarHBondContact O-N 3.29Å; P76-A79 PolarHBondContact O-N 2.91Å; A79-K82 PolarHBondContact O-N 2.78Å; A79-A83 WeakPolarHBondContact O-CB 3.48Å; A79-A83 PolarHBondContact O-N 2.8Å; A79-E330 WeakPolarHBondContact CB-OE2 3.33Å |
| 80 | A | 96.8 | Very high | 96 | Very high | 63 Ų | 63 | 63.3 Ų | 63.3 | 52% | 0.521 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P76 E77 S78 A83 L84 | P76-A80 WeakPolarHBondContact O-CB 3.18Å; P76-A80 PolarHBondContact O-N 3.13Å; E77-A80 PolarHBondContact O-N 3.03Å; S78-A80 PolarHBondContact O-N 3.07Å; A80-A83 PolarHBondContact O-N 3.02Å; A80-L84 PolarHBondContact O-N 3.31Å |
| 81 | R | 97.5 | Very high | 96.2 | Very high | 40 Ų | 40 | 61.8 Ų | 61.8 | 15% | 0.151 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.5 | -50.6 | 174.1 | -74.6 | -167.1 | -61.9 | -82.7 | -2.1 | 111.3 | E77 S78 A83 L84 I85 P166 E182 | E77-R81 WeakPolarHBondContact O-CG 3.38Å; E77-R81 PolarHBondContact O-N 3.03Å; S78-R81 PolarHBondContact O-N 2.79Å; R81-A83 VanDerWaalsContact C-N 3.31Å; R81-A83 PolarHBondContact O-N 2.87Å; R81-L84 PolarHBondContact O-N 2.99Å; R81-L84 VanDerWaalsContact O-N 3.15Å; R81-I85 HydrophobicContact CB-CD1 4.4Å; R81-I85 WeakPolarHBondContact O-CB 3.47Å; R81-I85 WeakPolarHBondContact O-CD1 3.18Å; R81-I85 WeakPolarHBondContact O-CG1 3.31Å; R81-I85 PolarHBondContact O-N 2.98Å; R81-P166 HydrophobicContact CB-CG 4.16Å; R81-P166 HydrophobicContact CG-CB 3.81Å; R81-P166 HydrophobicContact CG-CG 3.82Å; R81-E182 IonicContact CZ-OE1 2.71Å; R81-E182 IonicContact CZ-OE2 3.54Å; R81-E182 IonicContact NE-OE1 3.23Å; R81-E182 PolarHBondContact NE-OE1 3.18Å; R81-E182 VanDerWaalsContact NE-OE1 3.16Å; R81-E182 IonicContact NE-OE2 3.73Å; R81-E182 PolarHBondContact NE-OE2 3.02Å; R81-E182 IonicContact NH2-OE1 3.09Å; R81-E182 PolarHBondContact NH2-OE1 3.11Å; R81-E182 IonicContact NH2-OE2 2.75Å |
| 82 | K | 97.2 | Very high | 96.3 | Very high | 94 Ų | 94 | 63 Ų | 63 | 41% | 0.409 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -55.8 | -45.7 | 178.7 | -178.2 | 176.4 | -179.5 | 172.9 | 0 | 111.7 | S78 A79 I85 A86 H181 E182 | S78-K82 WeakPolarHBondContact O-CB 3.48Å; S78-K82 PolarHBondContact O-N 3.11Å; A79-K82 PolarHBondContact O-N 2.78Å; K82-I85 PolarHBondContact O-N 2.91Å; K82-A86 VanDerWaalsContact O-CB 3.32Å; K82-A86 WeakPolarHBondContact O-CB 3.42Å; K82-A86 PolarHBondContact O-N 3.15Å; K82-H181 WeakPolarHBondContact CD-O 3.27Å; K82-H181 WeakPolarHBondContact CE-O 3.29Å; K82-H181 PolarHBondContact NZ-O 3.44Å; K82-E182 HydrophobicContact CB-CB 4.48Å |
| 83 | A | 97.5 | Very high | 96.5 | Very high | 63 Ų | 63 | 61.6 Ų | 61.6 | 52% | 0.521 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A79 A80 R81 S87 | A79-A83 WeakPolarHBondContact O-CB 3.48Å; A79-A83 PolarHBondContact O-N 2.8Å; A80-A83 PolarHBondContact O-N 3.02Å; R81-A83 VanDerWaalsContact C-N 3.31Å; R81-A83 PolarHBondContact O-N 2.87Å; A83-S87 WeakPolarHBondContact O-CB 3.48Å; A83-S87 PolarHBondContact O-N 2.96Å; A83-S87 PolarHBondContact O-OG 2.88Å |
| 84 | L | 98.3 | Very high | 96.7 | Very high | 81 Ų | 81 | 60.6 Ų | 60.6 | 42% | 0.424 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.7 | -48.2 | 177.3 | -177.8 | 57.1 | 0 | 0 | 0 | 111.5 | A80 R81 A86 S87 S88 P166 | A80-L84 PolarHBondContact O-N 3.31Å; R81-L84 PolarHBondContact O-N 2.99Å; R81-L84 VanDerWaalsContact O-N 3.15Å; L84-A86 PolarHBondContact O-N 3.26Å; L84-S87 PolarHBondContact O-N 3.15Å; L84-S87 VanDerWaalsContact O-N 3.11Å; L84-S87 PolarHBondContact O-OG 2.9Å; L84-S88 WeakPolarHBondContact O-CB 3.45Å; L84-S88 PolarHBondContact O-N 2.89Å; L84-P166 HydrophobicContact CD2-CG 3.97Å |
| 85 | I | 98.4 | Very high | 96.8 | Very high | 4 Ų | 4 | 62.1 Ų | 62.1 | 2% | 0.021 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -54.8 | -52.4 | 176.8 | -67.1 | 161.4 | 0 | 0 | 0 | 109.8 | R81 K82 S87 S88 Y89 F160 M165 E182 L183 | R81-I85 HydrophobicContact CB-CD1 4.4Å; R81-I85 WeakPolarHBondContact O-CB 3.47Å; R81-I85 WeakPolarHBondContact O-CD1 3.18Å; R81-I85 WeakPolarHBondContact O-CG1 3.31Å; R81-I85 PolarHBondContact O-N 2.98Å; K82-I85 PolarHBondContact O-N 2.91Å; I85-S87 PolarHBondContact O-N 3.33Å; I85-S87 VanDerWaalsContact O-N 3.12Å; I85-S88 PolarHBondContact O-N 3.39Å; I85-Y89 HydrophobicContact CG2-CD1 4.39Å; I85-Y89 HydrophobicContact CG2-CG 4.37Å; I85-Y89 WeakPolarHBondContact O-CB 3.46Å; I85-Y89 PolarHBondContact O-N 2.87Å; I85-F160 HydrophobicContact CD1-CE2 4.05Å; I85-F160 HydrophobicContact CD1-CZ 3.72Å; I85-F160 HydrophobicContact CG1-CE2 4.02Å; I85-F160 HydrophobicContact CG1-CZ 4.17Å; I85-F160 HydrophobicContact CG2-CE2 4Å; I85-M165 HydrophobicContact CG1-CB 4.25Å; I85-E182 HydrophobicContact CD1-CB 4.01Å; I85-L183 HydrophobicContact CG2-CD1 4.09Å |
| 86 | A | 97.4 | Very high | 97.1 | Very high | 88 Ų | 88 | 61.7 Ų | 61.7 | 73% | 0.727 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -58.4 | -29.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | K82 L84 | K82-A86 VanDerWaalsContact O-CB 3.32Å; K82-A86 WeakPolarHBondContact O-CB 3.42Å; K82-A86 PolarHBondContact O-N 3.15Å; L84-A86 PolarHBondContact O-N 3.26Å |
| 87 | S | 97.8 | Very high | 97.3 | Very high | 87 Ų | 87 | 60.1 Ų | 60.1 | 61% | 0.608 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -90.7 | -21.4 | -177 | 73.2 | 0 | 0 | 0 | 0 | 114.7 | A83 L84 I85 | A83-S87 WeakPolarHBondContact O-CB 3.48Å; A83-S87 PolarHBondContact O-N 2.96Å; A83-S87 PolarHBondContact O-OG 2.88Å; L84-S87 PolarHBondContact O-N 3.15Å; L84-S87 VanDerWaalsContact O-N 3.11Å; L84-S87 PolarHBondContact O-OG 2.9Å; I85-S87 PolarHBondContact O-N 3.33Å; I85-S87 VanDerWaalsContact O-N 3.12Å |
| 88 | S | 97.9 | Very high | 97.4 | Very high | 51 Ų | 51 | 61.5 Ų | 61.5 | 36% | 0.357 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -131.4 | -22.6 | -166 | -64.3 | 0 | 0 | 0 | 0 | 114.5 | L84 I85 H90 | L84-S88 WeakPolarHBondContact O-CB 3.45Å; L84-S88 PolarHBondContact O-N 2.89Å; I85-S88 PolarHBondContact O-N 3.39Å; S88-H90 PolarHBondContact O-ND1 2.65Å |
| 89 | Y | 98.4 | Very high | 97.4 | Very high | 24 Ų | 24 | 64.7 Ų | 64.7 | 9% | 0.094 | 38% | 0.384 | C | S | . | . | trans | -76.8 | 138.9 | 178.9 | -175.8 | -118.8 | 0 | 0 | 0 | 111.1 | I85 P91 E156 H159 F160 M165 L183 | I85-Y89 HydrophobicContact CG2-CD1 4.39Å; I85-Y89 HydrophobicContact CG2-CG 4.37Å; I85-Y89 WeakPolarHBondContact O-CB 3.46Å; I85-Y89 PolarHBondContact O-N 2.87Å; Y89-P91 HydrophobicContact CE1-CG 4.48Å; Y89-E156 VanDerWaalsContact CE1-OE1 3.24Å; Y89-E156 WeakPolarHBondContact CE1-OE1 3.34Å; Y89-E156 PolarHBondContact OH-O 2.79Å; Y89-E156 PolarHBondContact OH-OE1 2.78Å; Y89-H159 AromaticContact CE2-CD2 3.93Å; Y89-H159 AromaticContact CZ-CD2 3.67Å; Y89-H159 PolarHBondContact OH-CD2 3.3Å; Y89-F160 HydrophobicContact CD1-CD2 4.12Å; Y89-F160 AromaticContact CD2-CD2 3.95Å; Y89-F160 HydrophobicContact CD2-CD2 3.95Å; Y89-F160 HydrophobicContact CE1-CB 4.37Å; Y89-F160 AromaticContact CE1-CD2 3.9Å; Y89-F160 HydrophobicContact CE1-CD2 3.9Å; Y89-F160 HydrophobicContact CE2-CB 4.26Å; Y89-F160 AromaticContact CE2-CD2 3.75Å; Y89-F160 HydrophobicContact CE2-CD2 3.75Å; Y89-F160 HydrophobicContact CE2-CG 4.5Å; Y89-F160 HydrophobicContact CG-CD2 4.14Å; Y89-F160 AromaticContact CZ-CD2 3.71Å; Y89-F160 WeakPolarHBondContact OH-CA 3.26Å; Y89-F160 VanDerWaalsContact OH-CB 3.31Å; Y89-F160 WeakPolarHBondContact OH-CB 3.47Å; Y89-F160 PolarHBondContact OH-N 3.47Å; Y89-M165 HydrophobicContact CD2-CG 3.75Å; Y89-M165 HydrophobicContact CG-CG 4.15Å; Y89-L183 HydrophobicContact CD1-CD1 3.87Å; Y89-L183 HydrophobicContact CE1-CD1 3.73Å | ||
| 90 | H | 97.7 | Very high | 97.6 | Very high | 147 Ų | 147 | 63.8 Ų | 63.8 | 68% | 0.681 | 38% | 0.376 | S | S | * | . | trans | -115.7 | 109.9 | 178.1 | -68.8 | 76.3 | 0 | 0 | 0 | 108.9 | S88 H159 | S88-H90 PolarHBondContact O-ND1 2.65Å; H90-H159 PolarHBondContact O-CD2 2.94Å; H90-H159 PolarHBondContact O-NE2 2.85Å | ||
| 91 | P | 98.1 | Very high | 97.5 | Very high | 54 Ų | 54 | 66.7 Ų | 66.7 | 35% | 0.351 | 38% | 0.378 | S | S | . | . | trans | -58.3 | 142.6 | 180 | -29.7 | 37.8 | 0 | 0 | 0 | 113.6 | Y89 P94 Y97 E156 | Y89-P91 HydrophobicContact CE1-CG 4.48Å; P91-P94 HydrophobicContact CB-CG 4.35Å; P91-Y97 HydrophobicContact CB-CD2 4.19Å; P91-Y97 HydrophobicContact CB-CE2 3.69Å; P91-Y97 HydrophobicContact CG-CD2 4.19Å; P91-Y97 HydrophobicContact CG-CE2 3.71Å; P91-E156 VanDerWaalsContact CA-OE1 3.27Å; P91-E156 WeakPolarHBondContact CA-OE1 3.41Å; P91-E156 WeakPolarHBondContact CB-OE1 3.36Å | ||
| 92 | A | 98.3 | Very high | 97.5 | Very high | 50 Ų | 50 | 68 Ų | 68 | 41% | 0.413 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -84.2 | -29.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E156 H159 | A92-E156 WeakPolarHBondContact CA-OE2 3.37Å; A92-E156 PolarHBondContact N-OE2 3.26Å; A92-H159 HydrophobicContact CB-CB 3.76Å; A92-H159 WeakPolarHBondContact CB-CD2 3.43Å; A92-H159 PolarHBondContact N-CD2 2.89Å |
| 93 | R | 98.1 | Very high | 97.5 | Very high | 77 Ų | 77 | 67.6 Ų | 67.6 | 29% | 0.291 | 40% | 0.403 | S | S | . | . | trans | -125.3 | 74.2 | 179 | -51.4 | -61.1 | -61.2 | -132.7 | -12 | 109.9 | E95 V96 A152 E155 E156 | R93-E95 VanDerWaalsContact CA-OE2 3.28Å; R93-E95 WeakPolarHBondContact CA-OE2 3.47Å; R93-E95 IonicContact CZ-OE1 2.99Å; R93-E95 IonicContact NE-OE1 3.44Å; R93-E95 PolarHBondContact NE-OE1 2.94Å; R93-E95 IonicContact NE-OE2 3.9Å; R93-E95 IonicContact NH2-OE1 3.96Å; R93-E95 PolarHBondContact NH2-OE1 3.37Å; R93-E95 PolarHBondContact O-N 3.08Å; R93-V96 HydrophobicContact CB-CG2 3.97Å; R93-V96 WeakPolarHBondContact O-CB 3.27Å; R93-V96 PolarHBondContact O-N 2.93Å; R93-A152 WeakPolarHBondContact CG-O 3.27Å; R93-E155 HydrophobicContact CG-CB 4.08Å; R93-E155 IonicContact CZ-OE2 3.06Å; R93-E155 VanDerWaalsContact CZ-OE2 3.3Å; R93-E155 IonicContact NE-OE2 3.36Å; R93-E155 IonicContact NH1-OE2 2.83Å; R93-E155 PolarHBondContact NH1-OE2 2.95Å; R93-E156 HydrophobicContact CB-CB 4.11Å; R93-E156 HydrophobicContact CG-CB 4.21Å; R93-E156 PolarHBondContact N-OE2 3.39Å | ||
| 94 | P | 97.4 | Very high | 97.5 | Very high | 79 Ų | 79 | 65.1 Ų | 65.1 | 51% | 0.513 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -53.4 | -29.5 | 179.7 | -25.4 | 34.6 | 0 | 0 | 0 | 113.7 | P91 V96 Y97 | P91-P94 HydrophobicContact CB-CG 4.35Å; P94-V96 PolarHBondContact O-N 2.89Å; P94-Y97 WeakPolarHBondContact O-CB 3.24Å; P94-Y97 PolarHBondContact O-N 3.09Å |
| 95 | E | 96.5 | Very high | 97.5 | Very high | 85 Ų | 85 | 61.4 Ų | 61.4 | 40% | 0.397 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -64.2 | -18.6 | 179.1 | 70.6 | -87.3 | -157 | 0 | 0 | 114.2 | R93 Y97 D98 | R93-E95 VanDerWaalsContact CA-OE2 3.28Å; R93-E95 WeakPolarHBondContact CA-OE2 3.47Å; R93-E95 IonicContact CZ-OE1 2.99Å; R93-E95 IonicContact NE-OE1 3.44Å; R93-E95 PolarHBondContact NE-OE1 2.94Å; R93-E95 IonicContact NE-OE2 3.9Å; R93-E95 IonicContact NH2-OE1 3.96Å; R93-E95 PolarHBondContact NH2-OE1 3.37Å; R93-E95 PolarHBondContact O-N 3.08Å; E95-Y97 PolarHBondContact O-N 3.47Å; E95-D98 PolarHBondContact O-N 2.6Å |
| 96 | V | 97.3 | Very high | 97.5 | Very high | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.012 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -70.8 | -18.9 | 174.1 | 170.4 | 0 | 0 | 0 | 0 | 111.6 | R93 P94 A152 L153 L185 | R93-V96 HydrophobicContact CB-CG2 3.97Å; R93-V96 WeakPolarHBondContact O-CB 3.27Å; R93-V96 PolarHBondContact O-N 2.93Å; P94-V96 PolarHBondContact O-N 2.89Å; V96-A152 HydrophobicContact CG2-CB 4.07Å; V96-L153 HydrophobicContact CG1-CD1 3.71Å; V96-L185 HydrophobicContact CG1-CD1 4.41Å; V96-L185 HydrophobicContact CG1-CD2 3.83Å |
| 97 | Y | 97.8 | Very high | 97.5 | Very high | 53 Ų | 53 | 61.4 Ų | 61.4 | 21% | 0.208 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -93.3 | -5.7 | 178.7 | -64 | -92 | 0 | 0 | 0 | 113.5 | P91 P94 E95 E156 L183 L185 P188 | P91-Y97 HydrophobicContact CB-CD2 4.19Å; P91-Y97 HydrophobicContact CB-CE2 3.69Å; P91-Y97 HydrophobicContact CG-CD2 4.19Å; P91-Y97 HydrophobicContact CG-CE2 3.71Å; P94-Y97 WeakPolarHBondContact O-CB 3.24Å; P94-Y97 PolarHBondContact O-N 3.09Å; E95-Y97 PolarHBondContact O-N 3.47Å; Y97-E156 HydrophobicContact CE2-CG 4Å; Y97-E156 WeakPolarHBondContact CE2-OE1 3.46Å; Y97-E156 PolarHBondContact OH-OE1 2.82Å; Y97-L183 VanDerWaalsContact CE1-O 3.3Å; Y97-L183 WeakPolarHBondContact CE1-O 3.4Å; Y97-L183 WeakPolarHBondContact OH-CD1 3.22Å; Y97-L183 VanDerWaalsContact OH-CG 3.27Å; Y97-L183 WeakPolarHBondContact OH-CG 3.09Å; Y97-L185 HydrophobicContact CD1-CD2 3.63Å; Y97-L185 HydrophobicContact CD1-CG 4.37Å; Y97-L185 HydrophobicContact CE1-CD2 3.66Å; Y97-L185 HydrophobicContact CE1-CG 3.98Å; Y97-L185 HydrophobicContact CG-CD2 4.12Å; Y97-P188 WeakPolarHBondContact O-CB 3.44Å |
| 98 | D | 96.8 | Very high | 97.6 | Very high | 107 Ų | 107 | 62 Ų | 62 | 57% | 0.572 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -69.4 | 152.9 | 170.5 | -67.3 | -31.9 | 0 | 0 | 0 | 110.2 | E95 L100 | E95-D98 PolarHBondContact O-N 2.6Å; D98-L100 PolarHBondContact O-N 2.81Å |
| 99 | S | 96.6 | Very high | 97.6 | Very high | 84 Ų | 84 | 59.6 Ų | 59.6 | 59% | 0.587 | 33% | 0.332 | S | S | * | . | trans | -53.6 | 131 | 177 | -61.3 | 0 | 0 | 0 | 0 | 111.3 | Q101 | S99-Q101 WeakPolarHBondContact O-CG 3.32Å; S99-Q101 PolarHBondContact O-N 3.23Å; S99-Q101 VanDerWaalsContact O-N 3.09Å; S99-Q101 PolarHBondContact O-NE2 2.86Å | ||
| 100 | L | 97.5 | Very high | 97.6 | Very high | 7 Ų | 7 | 59.8 Ų | 59.8 | 4% | 0.037 | 34% | 0.335 | C | S | . | . | trans | -50.7 | 115 | -177.5 | 176.5 | 60.7 | 0 | 0 | 0 | 112.6 | D98 A104 L105 P188 L189 P192 L193 R196 F197 | D98-L100 PolarHBondContact O-N 2.81Å; L100-A104 HydrophobicContact CD1-CB 3.75Å; L100-L105 HydrophobicContact CD1-CD2 4.3Å; L100-L105 HydrophobicContact CD1-CG 4.41Å; L100-P188 WeakPolarHBondContact CB-O 3.5Å; L100-P188 PolarHBondContact N-O 3.45Å; L100-L189 HydrophobicContact CB-CD1 4.29Å; L100-L189 HydrophobicContact CD1-CD1 3.72Å; L100-L189 HydrophobicContact CD2-CD1 4.31Å; L100-L189 HydrophobicContact CG-CD1 4.32Å; L100-P192 HydrophobicContact CB-CB 4.09Å; L100-P192 HydrophobicContact CD2-CB 4.26Å; L100-L193 HydrophobicContact CD2-CB 3.92Å; L100-L193 HydrophobicContact CD2-CD1 4.3Å; L100-R196 PolarHBondContact O-NH1 2.96Å; L100-F197 HydrophobicContact CD2-CD2 4.32Å; L100-F197 HydrophobicContact CD2-CE2 4.06Å | ||
| 101 | Q | 96.1 | Very high | 97.6 | Very high | 123 Ų | 123 | 54.8 Ų | 54.8 | 58% | 0.575 | 32% | 0.319 | S | S | * | . | trans | -97.2 | 150.8 | 175.2 | -58.1 | -56 | -53 | 0 | 0 | 111.3 | S99 A103 A104 | S99-Q101 WeakPolarHBondContact O-CG 3.32Å; S99-Q101 PolarHBondContact O-N 3.23Å; S99-Q101 VanDerWaalsContact O-N 3.09Å; S99-Q101 PolarHBondContact O-NE2 2.86Å; Q101-A103 PolarHBondContact O-N 2.83Å; Q101-A103 VanDerWaalsContact O-N 3.15Å; Q101-A104 VanDerWaalsContact O-CB 3.29Å; Q101-A104 WeakPolarHBondContact O-CB 3.45Å; Q101-A104 PolarHBondContact O-N 3.38Å | ||
| 102 | D | 97.1 | Very high | 97.6 | Very high | 68 Ų | 68 | 52.2 Ų | 52.2 | 36% | 0.364 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -60.9 | -28.4 | -179.5 | -62.7 | 4.9 | 0 | 0 | 0 | 112.1 | A104 L105 L110 R196 | D102-A104 PolarHBondContact O-N 2.92Å; D102-A104 VanDerWaalsContact O-N 3.15Å; D102-L105 WeakPolarHBondContact O-CB 3.33Å; D102-L105 PolarHBondContact O-N 2.96Å; D102-L110 HydrophobicContact CB-CD1 4.08Å; D102-L110 HydrophobicContact CB-CD2 4.02Å; D102-R196 IonicContact OD1-CZ 2.65Å; D102-R196 IonicContact OD1-NH2 2.78Å; D102-R196 PolarHBondContact OD1-NH2 2.82Å |
| 103 | A | 97 | Very high | 97.6 | Very high | 85 Ų | 85 | 50 Ų | 50 | 70% | 0.702 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -62.5 | -18.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q101 L105 T146 | Q101-A103 PolarHBondContact O-N 2.83Å; Q101-A103 VanDerWaalsContact O-N 3.15Å; A103-L105 VanDerWaalsContact C-N 3.31Å; A103-T146 WeakPolarHBondContact O-CG2 3.35Å; A103-T146 PolarHBondContact O-OG1 3.26Å |
| 104 | A | 97.4 | Very high | 97.6 | Very high | 11 Ų | 11 | 52.4 Ų | 52.4 | 9% | 0.091 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -77.5 | -18.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L100 Q101 D102 F145 T146 F149 | L100-A104 HydrophobicContact CD1-CB 3.75Å; Q101-A104 VanDerWaalsContact O-CB 3.29Å; Q101-A104 WeakPolarHBondContact O-CB 3.45Å; Q101-A104 PolarHBondContact O-N 3.38Å; D102-A104 PolarHBondContact O-N 2.92Å; D102-A104 VanDerWaalsContact O-N 3.15Å; A104-F145 CarbonylContact O-C 3.4Å; A104-F145 VanDerWaalsContact O-CA 3.31Å; A104-F145 WeakPolarHBondContact O-CA 3.34Å; A104-T146 PolarHBondContact O-N 2.93Å; A104-F149 HydrophobicContact CB-CB 4.08Å; A104-F149 HydrophobicContact CB-CD1 4.26Å; A104-F149 HydrophobicContact CB-CD2 3.42Å; A104-F149 VanDerWaalsContact CB-CD2 3.42Å; A104-F149 HydrophobicContact CB-CE2 3.86Å; A104-F149 HydrophobicContact CB-CG 3.63Å; A104-F149 HydrophobicContact CB-CZ 4.45Å |
| 105 | L | 98.3 | Very high | 97.7 | Very high | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -98.6 | 145.7 | -172.9 | -59.5 | 177 | 0 | 0 | 0 | 111.6 | L100 D102 A103 F109 L110 V144 F145 T146 L193 F197 | L100-L105 HydrophobicContact CD1-CD2 4.3Å; L100-L105 HydrophobicContact CD1-CG 4.41Å; D102-L105 WeakPolarHBondContact O-CB 3.33Å; D102-L105 PolarHBondContact O-N 2.96Å; A103-L105 VanDerWaalsContact C-N 3.31Å; L105-F109 HydrophobicContact CB-CD1 4.37Å; L105-F109 HydrophobicContact CD1-CD1 4.24Å; L105-F109 HydrophobicContact CD1-CE1 4.5Å; L105-F109 HydrophobicContact CD2-CD1 4.09Å; L105-F109 HydrophobicContact CD2-CE1 4.31Å; L105-F109 HydrophobicContact CG-CD1 4.47Å; L105-L110 HydrophobicContact CB-CD1 4.39Å; L105-L110 HydrophobicContact CB-CD2 3.86Å; L105-L110 HydrophobicContact CB-CG 3.92Å; L105-L110 HydrophobicContact CD1-CD2 3.67Å; L105-L110 HydrophobicContact CG-CD2 4.38Å; L105-V144 WeakPolarHBondContact CA-O 3.34Å; L105-F145 HydrophobicContact CD2-CD1 3.76Å; L105-F145 HydrophobicContact CD2-CE1 3.8Å; L105-T146 WeakPolarHBondContact O-CG2 3.45Å; L105-L193 HydrophobicContact CD2-CD1 4.12Å; L105-F197 HydrophobicContact CD1-CD1 3.74Å; L105-F197 HydrophobicContact CD1-CD2 3.71Å; L105-F197 HydrophobicContact CD1-CE1 3.48Å; L105-F197 VanDerWaalsContact CD1-CE1 3.48Å; L105-F197 HydrophobicContact CD1-CE2 3.43Å; L105-F197 VanDerWaalsContact CD1-CE2 3.43Å; L105-F197 HydrophobicContact CD1-CG 3.84Å; L105-F197 HydrophobicContact CD1-CZ 3.3Å |
| 106 | A | 98.3 | Very high | 97.8 | Very high | 5 Ų | 5 | 47.3 Ų | 47.3 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | trans | -64.6 | 139.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | E108 F109 L110 P143 V144 | A106-E108 PolarHBondContact O-N 3.31Å; A106-E108 VanDerWaalsContact O-N 3.16Å; A106-F109 HydrophobicContact CB-CB 4.35Å; A106-F109 WeakPolarHBondContact O-CA 3.16Å; A106-F109 VanDerWaalsContact O-CB 3.3Å; A106-F109 WeakPolarHBondContact O-CB 3.06Å; A106-F109 PolarHBondContact O-N 3.04Å; A106-L110 PolarHBondContact O-N 2.83Å; A106-L110 VanDerWaalsContact O-N 3.09Å; A106-P143 HydrophobicContact CB-CB 3.55Å; A106-V144 PolarHBondContact N-O 3.48Å | ||
| 107 | P | 98.3 | Very high | 97.8 | Very high | 88 Ų | 88 | 52 Ų | 52 | 57% | 0.571 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -55 | -35.5 | 179.9 | -27 | 35.1 | 0 | 0 | 0 | 113.7 | F109 L110 A111 | P107-F109 VanDerWaalsContact C-N 3.34Å; P107-L110 PolarHBondContact O-N 2.88Å; P107-A111 WeakPolarHBondContact O-CB 3.47Å; P107-A111 PolarHBondContact O-N 3.27Å |
| 108 | E | 98.3 | Very high | 97.8 | Very high | 99 Ų | 99 | 51.5 Ų | 51.5 | 46% | 0.463 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.4 | -37.7 | 176.9 | -60.6 | 83.6 | 173.5 | 0 | 0 | 111.9 | A106 A112 P143 | A106-E108 PolarHBondContact O-N 3.31Å; A106-E108 VanDerWaalsContact O-N 3.16Å; E108-A112 WeakPolarHBondContact O-CB 3.46Å; E108-A112 PolarHBondContact O-N 2.87Å; E108-P143 HydrophobicContact CB-CG 4.23Å; E108-P143 HydrophobicContact CG-CG 4.37Å |
| 109 | F | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67 | -46.3 | 176.5 | -165.1 | -123.5 | 0 | 0 | 0 | 111.5 | L105 A106 P107 A112 A113 V142 P143 V144 L193 F197 L198 L201 | L105-F109 HydrophobicContact CB-CD1 4.37Å; L105-F109 HydrophobicContact CD1-CD1 4.24Å; L105-F109 HydrophobicContact CD1-CE1 4.5Å; L105-F109 HydrophobicContact CD2-CD1 4.09Å; L105-F109 HydrophobicContact CD2-CE1 4.31Å; L105-F109 HydrophobicContact CG-CD1 4.47Å; A106-F109 HydrophobicContact CB-CB 4.35Å; A106-F109 WeakPolarHBondContact O-CA 3.16Å; A106-F109 VanDerWaalsContact O-CB 3.3Å; A106-F109 WeakPolarHBondContact O-CB 3.06Å; A106-F109 PolarHBondContact O-N 3.04Å; P107-F109 VanDerWaalsContact C-N 3.34Å; F109-A112 PolarHBondContact O-N 3.36Å; F109-A113 WeakPolarHBondContact O-CB 3.42Å; F109-A113 PolarHBondContact O-N 3.14Å; F109-V142 HydrophobicContact CD2-CG1 3.91Å; F109-V142 HydrophobicContact CD2-CG2 4.15Å; F109-V142 HydrophobicContact CE2-CG1 4.19Å; F109-P143 VanDerWaalsContact CB-O 3.27Å; F109-P143 WeakPolarHBondContact CB-O 3.23Å; F109-V144 HydrophobicContact CD1-CG1 4.4Å; F109-V144 HydrophobicContact CE1-CG1 4.27Å; F109-V144 HydrophobicContact CZ-CG1 4.46Å; F109-L193 HydrophobicContact CE1-CD1 3.86Å; F109-L193 HydrophobicContact CZ-CD1 4.36Å; F109-F197 HydrophobicContact CD1-CB 4.38Å; F109-F197 HydrophobicContact CE1-CB 3.46Å; F109-F197 VanDerWaalsContact CE1-CB 3.46Å; F109-F197 HydrophobicContact CE1-CG 4.1Å; F109-F197 HydrophobicContact CZ-CB 3.83Å; F109-L198 HydrophobicContact CE2-CD2 4.15Å; F109-L198 HydrophobicContact CZ-CD2 3.7Å; F109-L198 HydrophobicContact CZ-CG 4.24Å; F109-L201 HydrophobicContact CD2-CD2 4.18Å; F109-L201 HydrophobicContact CE2-CD2 3.66Å |
| 110 | L | 98.3 | Very high | 97.8 | Very high | 29 Ų | 29 | 52.3 Ų | 52.3 | 15% | 0.152 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.6 | -49.1 | 176.1 | -68.3 | 174.4 | 0 | 0 | 0 | 110.4 | D102 L105 A106 P107 A112 A113 E114 F197 | D102-L110 HydrophobicContact CB-CD1 4.08Å; D102-L110 HydrophobicContact CB-CD2 4.02Å; L105-L110 HydrophobicContact CB-CD1 4.39Å; L105-L110 HydrophobicContact CB-CD2 3.86Å; L105-L110 HydrophobicContact CB-CG 3.92Å; L105-L110 HydrophobicContact CD1-CD2 3.67Å; L105-L110 HydrophobicContact CG-CD2 4.38Å; A106-L110 PolarHBondContact O-N 2.83Å; A106-L110 VanDerWaalsContact O-N 3.09Å; P107-L110 PolarHBondContact O-N 2.88Å; L110-A112 VanDerWaalsContact C-N 3.29Å; L110-A112 PolarHBondContact O-N 3.41Å; L110-A113 PolarHBondContact O-N 3.35Å; L110-A113 VanDerWaalsContact O-N 3.08Å; L110-E114 WeakPolarHBondContact O-CB 3.46Å; L110-E114 WeakPolarHBondContact O-CG 3.45Å; L110-E114 PolarHBondContact O-N 2.79Å; L110-F197 HydrophobicContact CD2-CD1 4.16Å; L110-F197 HydrophobicContact CD2-CE1 3.49Å; L110-F197 VanDerWaalsContact CD2-CE1 3.49Å; L110-F197 HydrophobicContact CD2-CZ 4.2Å |
| 111 | A | 98.3 | Very high | 97.8 | Very high | 41 Ų | 41 | 53 Ų | 53 | 34% | 0.339 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.1 | -36.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P107 Y115 | P107-A111 WeakPolarHBondContact O-CB 3.47Å; P107-A111 PolarHBondContact O-N 3.27Å; A111-Y115 VanDerWaalsContact O-CB 3.23Å; A111-Y115 WeakPolarHBondContact O-CB 3.42Å; A111-Y115 PolarHBondContact O-N 3.48Å |
| 112 | A | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.3 | -40.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | E108 F109 L110 S116 L126 R129 L130 L201 | E108-A112 WeakPolarHBondContact O-CB 3.46Å; E108-A112 PolarHBondContact O-N 2.87Å; F109-A112 PolarHBondContact O-N 3.36Å; L110-A112 VanDerWaalsContact C-N 3.29Å; L110-A112 PolarHBondContact O-N 3.41Å; A112-S116 WeakPolarHBondContact O-CB 3.38Å; A112-S116 PolarHBondContact O-N 3Å; A112-S116 PolarHBondContact O-OG 3.15Å; A112-L126 HydrophobicContact CB-CD1 3.97Å; A112-R129 HydrophobicContact CB-CB 4.29Å; A112-L130 HydrophobicContact CB-CD2 4.02Å; A112-L201 HydrophobicContact CB-CD1 4.35Å; A112-L201 HydrophobicContact CB-CD2 4.3Å |
| 113 | A | 97.9 | Very high | 97.9 | Very high | 5 Ų | 5 | 51.1 Ų | 51.1 | 4% | 0.041 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.7 | -47.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F109 L110 Y115 S116 V117 F197 L201 | F109-A113 WeakPolarHBondContact O-CB 3.42Å; F109-A113 PolarHBondContact O-N 3.14Å; L110-A113 PolarHBondContact O-N 3.35Å; L110-A113 VanDerWaalsContact O-N 3.08Å; A113-Y115 VanDerWaalsContact C-N 3.33Å; A113-Y115 PolarHBondContact O-N 2.79Å; A113-S116 WeakPolarHBondContact O-CB 3.37Å; A113-S116 PolarHBondContact O-N 3.07Å; A113-S116 VanDerWaalsContact O-N 3.09Å; A113-V117 PolarHBondContact O-N 3.05Å; A113-F197 HydrophobicContact CB-CB 4.33Å; A113-F197 HydrophobicContact CB-CD1 3.8Å; A113-L201 HydrophobicContact CB-CD1 3.82Å |
| 114 | E | 98.1 | Very high | 98 | Very high | 127 Ų | 127 | 54.2 Ų | 54.2 | 59% | 0.593 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -58.3 | -45 | 174.3 | -72.7 | 175.1 | 179.7 | 0 | 0 | 111.5 | L110 S116 V117 S118 | L110-E114 WeakPolarHBondContact O-CB 3.46Å; L110-E114 WeakPolarHBondContact O-CG 3.45Å; L110-E114 PolarHBondContact O-N 2.79Å; E114-S116 VanDerWaalsContact C-N 3.31Å; E114-S116 PolarHBondContact O-N 3.49Å; E114-V117 VanDerWaalsContact O-CG2 3.29Å; E114-V117 WeakPolarHBondContact O-CG2 3.46Å; E114-V117 PolarHBondContact O-N 2.94Å; E114-S118 PolarHBondContact O-N 3.09Å |
| 115 | Y | 98.6 | Very high | 98 | Very high | 43 Ų | 43 | 54.1 Ų | 54.1 | 17% | 0.169 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60 | -43.8 | 174.4 | 174.7 | -97.7 | 0 | 0 | 0 | 111.3 | A111 A113 V117 S118 A121 D122 G125 L126 | A111-Y115 VanDerWaalsContact O-CB 3.23Å; A111-Y115 WeakPolarHBondContact O-CB 3.42Å; A111-Y115 PolarHBondContact O-N 3.48Å; A113-Y115 VanDerWaalsContact C-N 3.33Å; A113-Y115 PolarHBondContact O-N 2.79Å; Y115-V117 PolarHBondContact O-N 2.81Å; Y115-S118 WeakPolarHBondContact O-CB 3.32Å; Y115-S118 PolarHBondContact O-N 3.5Å; Y115-S118 PolarHBondContact O-OG 3.27Å; Y115-A121 HydrophobicContact CD1-CB 4.5Å; Y115-A121 HydrophobicContact CE1-CB 4.09Å; Y115-A121 WeakPolarHBondContact O-CB 3.25Å; Y115-D122 PolarHBondContact OH-N 3.22Å; Y115-D122 VanDerWaalsContact OH-N 3.07Å; Y115-D122 PolarHBondContact OH-OD1 3.38Å; Y115-G125 VanDerWaalsContact CE1-C 3.44Å; Y115-G125 WeakPolarHBondContact OH-CA 3.17Å; Y115-L126 HydrophobicContact CD1-CB 4.12Å; Y115-L126 HydrophobicContact CD1-CD1 4.44Å; Y115-L126 HydrophobicContact CE1-CB 3.96Å |
| 116 | S | 98.2 | Very high | 98 | Very high | 14 Ų | 14 | 54 Ų | 54 | 10% | 0.098 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.6 | -22.5 | -174.6 | -60.3 | 0 | 0 | 0 | 0 | 113.9 | A112 A113 E114 L201 | A112-S116 WeakPolarHBondContact O-CB 3.38Å; A112-S116 PolarHBondContact O-N 3Å; A112-S116 PolarHBondContact O-OG 3.15Å; A113-S116 WeakPolarHBondContact O-CB 3.37Å; A113-S116 PolarHBondContact O-N 3.07Å; A113-S116 VanDerWaalsContact O-N 3.09Å; E114-S116 VanDerWaalsContact C-N 3.31Å; E114-S116 PolarHBondContact O-N 3.49Å; S116-L201 WeakPolarHBondContact OG-CD1 3.46Å |
| 117 | V | 97.4 | Very high | 98 | Very high | 100 Ų | 100 | 56.1 Ų | 56.1 | 61% | 0.606 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -98.8 | -4.1 | 174.5 | -59.2 | 0 | 0 | 0 | 0 | 113.3 | A113 E114 Y115 P200 | A113-V117 PolarHBondContact O-N 3.05Å; E114-V117 VanDerWaalsContact O-CG2 3.29Å; E114-V117 WeakPolarHBondContact O-CG2 3.46Å; E114-V117 PolarHBondContact O-N 2.94Å; Y115-V117 PolarHBondContact O-N 2.81Å; V117-P200 HydrophobicContact CG1-CB 3.61Å; V117-P200 HydrophobicContact CG1-CG 3.62Å |
| 118 | S | 97.9 | Very high | 98 | Very high | 42 Ų | 42 | 58.8 Ų | 58.8 | 29% | 0.294 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -73.6 | 150.4 | -177.5 | 73.6 | 0 | 0 | 0 | 0 | 112.5 | E114 Y115 G120 A121 | E114-S118 PolarHBondContact O-N 3.09Å; Y115-S118 WeakPolarHBondContact O-CB 3.32Å; Y115-S118 PolarHBondContact O-N 3.5Å; Y115-S118 PolarHBondContact O-OG 3.27Å; S118-G120 PolarHBondContact O-N 2.7Å; S118-A121 VanDerWaalsContact O-CB 3.26Å; S118-A121 WeakPolarHBondContact O-CB 3.17Å; S118-A121 PolarHBondContact O-N 3.46Å; S118-A121 VanDerWaalsContact O-N 3.09Å |
| 119 | P | 97.2 | Very high | 98 | Very high | 136 Ų | 136 | 59.9 Ų | 59.9 | 88% | 0.883 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 126.2 | 175.2 | -24.8 | 34.7 | 0 | 0 | 0 | 111.9 | A121 | P119-A121 VanDerWaalsContact C-N 3.34Š|
| 120 | G | 96.1 | Very high | 97.9 | Very high | 72 Ų | 72 | 60.6 Ų | 60.6 | 74% | 0.742 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | 11.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | S118 D122 | S118-G120 PolarHBondContact O-N 2.7Å; G120-D122 PolarHBondContact O-N 3.02Å |
| 121 | A | 98 | Very high | 97.9 | Very high | 23 Ų | 23 | 63.5 Ų | 63.5 | 19% | 0.19 | 35% | 0.352 | C | S | . | . | trans | -56.4 | 131.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y115 S118 P119 L204 | Y115-A121 HydrophobicContact CD1-CB 4.5Å; Y115-A121 HydrophobicContact CE1-CB 4.09Å; Y115-A121 WeakPolarHBondContact O-CB 3.25Å; S118-A121 VanDerWaalsContact O-CB 3.26Å; S118-A121 WeakPolarHBondContact O-CB 3.17Å; S118-A121 PolarHBondContact O-N 3.46Å; S118-A121 VanDerWaalsContact O-N 3.09Å; P119-A121 VanDerWaalsContact C-N 3.34Å; A121-L204 HydrophobicContact CB-CD1 4.1Å | ||
| 122 | D | 98.2 | Very high | 98 | Very high | 79 Ų | 79 | 64.7 Ų | 64.7 | 42% | 0.422 | 36% | 0.355 | S | S | . | . | trans | -136.2 | 170.5 | 177.2 | 73.1 | 15.3 | 0 | 0 | 0 | 111.4 | Y115 G120 K124 G125 L126 | Y115-D122 PolarHBondContact OH-N 3.22Å; Y115-D122 VanDerWaalsContact OH-N 3.07Å; Y115-D122 PolarHBondContact OH-OD1 3.38Å; G120-D122 PolarHBondContact O-N 3.02Å; D122-K124 VanDerWaalsContact C-N 3.26Å; D122-K124 PolarHBondContact O-N 3.36Å; D122-K124 PolarHBondContact OD1-N 3Å; D122-G125 PolarHBondContact OD1-N 3.47Å; D122-L126 PolarHBondContact O-N 2.9Å; D122-L126 VanDerWaalsContact O-N 3.11Å | ||
| 123 | L | 98.1 | Very high | 97.9 | Very high | 72 Ų | 72 | 66.2 Ų | 66.2 | 38% | 0.377 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.5 | -41.1 | 178.7 | 176.3 | 60.4 | 0 | 0 | 0 | 111.3 | G125 L126 L127 L205 | L123-G125 PolarHBondContact O-N 3.09Å; L123-L126 PolarHBondContact O-N 2.6Å; L123-L127 HydrophobicContact CD1-CD1 3.98Å; L123-L127 HydrophobicContact CD1-CD2 4.16Å; L123-L127 HydrophobicContact CD1-CG 3.84Å; L123-L127 HydrophobicContact CG-CD1 3.92Å; L123-L127 HydrophobicContact CG-CG 4.2Å; L123-L127 WeakPolarHBondContact O-CB 3.36Å; L123-L127 VanDerWaalsContact O-CG 3.23Å; L123-L127 WeakPolarHBondContact O-CG 3.45Å; L123-L127 PolarHBondContact O-N 2.75Å; L123-L205 HydrophobicContact CD1-CD2 3.88Å |
| 124 | K | 97.9 | Very high | 97.9 | Very high | 150 Ų | 150 | 66.9 Ų | 66.9 | 65% | 0.652 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -64.4 | -44.8 | -174.6 | -178.4 | -178.3 | 175.5 | -176.2 | 0 | 111.5 | D122 L127 Q128 | D122-K124 VanDerWaalsContact C-N 3.26Å; D122-K124 PolarHBondContact O-N 3.36Å; D122-K124 PolarHBondContact OD1-N 3Å; K124-L127 PolarHBondContact O-N 2.67Å; K124-Q128 WeakPolarHBondContact O-CG 3.46Å; K124-Q128 PolarHBondContact O-N 3.42Å |
| 125 | G | 98.1 | Very high | 97.7 | Very high | 9 Ų | 9 | 63.2 Ų | 63.2 | 9% | 0.093 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -70 | -33.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y115 D122 L123 Q128 | Y115-G125 VanDerWaalsContact CE1-C 3.44Å; Y115-G125 WeakPolarHBondContact OH-CA 3.17Å; D122-G125 PolarHBondContact OD1-N 3.47Å; L123-G125 PolarHBondContact O-N 3.09Å; G125-Q128 WeakPolarHBondContact O-CB 3.31Å; G125-Q128 PolarHBondContact O-N 3.4Å |
| 126 | L | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 173.6 | 179 | 58.4 | 0 | 0 | 0 | 111.2 | A112 Y115 D122 L123 Q128 R129 L130 L201 L204 L205 | A112-L126 HydrophobicContact CB-CD1 3.97Å; Y115-L126 HydrophobicContact CD1-CB 4.12Å; Y115-L126 HydrophobicContact CD1-CD1 4.44Å; Y115-L126 HydrophobicContact CE1-CB 3.96Å; D122-L126 PolarHBondContact O-N 2.9Å; D122-L126 VanDerWaalsContact O-N 3.11Å; L123-L126 PolarHBondContact O-N 2.6Å; L126-Q128 PolarHBondContact O-N 3.3Å; L126-Q128 VanDerWaalsContact O-N 3.15Å; L126-R129 WeakPolarHBondContact O-CA 3.08Å; L126-R129 WeakPolarHBondContact O-CB 3.29Å; L126-R129 PolarHBondContact O-N 3.34Å; L126-L130 HydrophobicContact CD1-CD1 3.99Å; L126-L130 HydrophobicContact CD1-CD2 4.45Å; L126-L130 HydrophobicContact CD1-CG 4.14Å; L126-L130 HydrophobicContact CD2-CD1 4.25Å; L126-L130 HydrophobicContact CG-CD1 3.81Å; L126-L130 HydrophobicContact CG-CG 4.33Å; L126-L130 PolarHBondContact O-N 3.3Å; L126-L201 HydrophobicContact CD1-CG 4.33Å; L126-L201 HydrophobicContact CD2-CG 4.45Å; L126-L204 HydrophobicContact CB-CD1 4.25Å; L126-L204 HydrophobicContact CD2-CB 3.74Å; L126-L204 HydrophobicContact CD2-CD1 4.03Å; L126-L205 HydrophobicContact CD2-CD1 4.45Å; L126-L205 HydrophobicContact CD2-CD2 3.88Å; L126-L205 HydrophobicContact CD2-CG 3.77Å; L126-L205 HydrophobicContact CG-CD2 4.42Å |
| 127 | L | 98.2 | Very high | 97.2 | Very high | 50 Ų | 50 | 68.3 Ų | 68.3 | 26% | 0.262 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.8 | -17.9 | 177.7 | -68.6 | 178.7 | 0 | 0 | 0 | 113.7 | L123 K124 R129 L130 Y140 L205 | L123-L127 HydrophobicContact CD1-CD1 3.98Å; L123-L127 HydrophobicContact CD1-CD2 4.16Å; L123-L127 HydrophobicContact CD1-CG 3.84Å; L123-L127 HydrophobicContact CG-CD1 3.92Å; L123-L127 HydrophobicContact CG-CG 4.2Å; L123-L127 WeakPolarHBondContact O-CB 3.36Å; L123-L127 VanDerWaalsContact O-CG 3.23Å; L123-L127 WeakPolarHBondContact O-CG 3.45Å; L123-L127 PolarHBondContact O-N 2.75Å; K124-L127 PolarHBondContact O-N 2.67Å; L127-R129 PolarHBondContact O-N 2.7Å; L127-L130 VanDerWaalsContact O-O 3.07Å; L127-Y140 HydrophobicContact CD2-CD1 3.61Å; L127-Y140 HydrophobicContact CD2-CE1 3.23Å; L127-L205 HydrophobicContact CD2-CD2 3.99Å |
| 128 | Q | 97.8 | Very high | 97.2 | Very high | 144 Ų | 144 | 65.7 Ų | 65.7 | 67% | 0.673 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -10 | 170.9 | -66.4 | 171.5 | 9 | 0 | 0 | 113 | K124 G125 L126 | K124-Q128 WeakPolarHBondContact O-CG 3.46Å; K124-Q128 PolarHBondContact O-N 3.42Å; G125-Q128 WeakPolarHBondContact O-CB 3.31Å; G125-Q128 PolarHBondContact O-N 3.4Å; L126-Q128 PolarHBondContact O-N 3.3Å; L126-Q128 VanDerWaalsContact O-N 3.15Å |
| 129 | R | 97.8 | Very high | 97.2 | Very high | 121 Ų | 121 | 63.7 Ų | 63.7 | 46% | 0.457 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | -8.3 | -178.1 | -62.4 | -173.3 | -174.5 | -44.2 | 6.1 | 113.6 | A112 L126 L127 | A112-R129 HydrophobicContact CB-CB 4.29Å; L126-R129 WeakPolarHBondContact O-CA 3.08Å; L126-R129 WeakPolarHBondContact O-CB 3.29Å; L126-R129 PolarHBondContact O-N 3.34Å; L127-R129 PolarHBondContact O-N 2.7Å |
| 130 | L | 98.1 | Very high | 97.3 | Very high | 15 Ų | 15 | 57.7 Ų | 57.7 | 8% | 0.079 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -120.7 | 153.2 | -178.7 | -50.8 | 176.6 | 0 | 0 | 0 | 108.9 | A112 L126 L127 V142 L205 | A112-L130 HydrophobicContact CB-CD2 4.02Å; L126-L130 HydrophobicContact CD1-CD1 3.99Å; L126-L130 HydrophobicContact CD1-CD2 4.45Å; L126-L130 HydrophobicContact CD1-CG 4.14Å; L126-L130 HydrophobicContact CD2-CD1 4.25Å; L126-L130 HydrophobicContact CG-CD1 3.81Å; L126-L130 HydrophobicContact CG-CG 4.33Å; L126-L130 PolarHBondContact O-N 3.3Å; L127-L130 VanDerWaalsContact O-O 3.07Å; L130-V142 HydrophobicContact CD2-CB 3.68Å; L130-V142 HydrophobicContact CD2-CG1 4.39Å; L130-V142 HydrophobicContact CD2-CG2 3.45Å; L130-V142 VanDerWaalsContact CD2-CG2 3.45Å; L130-L205 HydrophobicContact CD1-CD1 3.86Å; L130-L205 HydrophobicContact CD1-CD2 3.9Å; L130-L205 HydrophobicContact CD1-CG 4.35Å |
| 131 | E | 98.3 | Very high | 97.4 | Very high | 91 Ų | 91 | 55.3 Ų | 55.3 | 43% | 0.425 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 124.5 | 165.7 | -175.4 | -167 | 163.7 | 0 | 0 | 108.8 | V133 Y140 R141 | E131-V133 HydrophobicContact CG-CG2 4.48Å; E131-V133 PolarHBondContact O-N 2.7Å; E131-Y140 CarbonylContact O-C 3.55Å; E131-Y140 VanDerWaalsContact O-CA 3.26Å; E131-Y140 WeakPolarHBondContact O-CA 3.37Å; E131-R141 HydrophobicContact CB-CB 4.14Å; E131-R141 PolarHBondContact N-O 2.83Å; E131-R141 PolarHBondContact O-N 3.09Å; E131-R141 IonicContact OE1-NH1 3.07Å; E131-R141 PolarHBondContact OE1-NH1 2.93Å; E131-R141 WeakPolarHBondContact OE2-CD 3.29Å; E131-R141 IonicContact OE2-CZ 3.83Å; E131-R141 IonicContact OE2-NH1 3.98Å; E131-R141 PolarHBondContact OE2-NH1 3.43Å |
| 132 | T | 98.3 | Very high | 97.4 | Very high | 65 Ų | 65 | 54.3 Ų | 54.3 | 40% | 0.399 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 97.7 | 169.8 | -59.5 | 0 | 0 | 0 | 0 | 109.2 | Y140 | T132-Y140 HydrophobicContact CG2-CD1 4.28Å; T132-Y140 HydrophobicContact CG2-CE1 4.1Å |
| 133 | V | 98 | Very high | 97.4 | Very high | 32 Ų | 32 | 52 Ų | 52 | 19% | 0.194 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | -40.4 | 177.5 | -175.6 | 0 | 0 | 0 | 0 | 110.4 | E131 I139 R141 L272 V274 | E131-V133 HydrophobicContact CG-CG2 4.48Å; E131-V133 PolarHBondContact O-N 2.7Å; V133-I139 HydrophobicContact CB-CB 4.44Å; V133-I139 HydrophobicContact CB-CG2 4.08Å; V133-I139 WeakPolarHBondContact CB-O 3.37Å; V133-I139 HydrophobicContact CG1-CG2 4.39Å; V133-I139 PolarHBondContact N-O 3.23Å; V133-R141 HydrophobicContact CG2-CB 3.7Å; V133-L272 HydrophobicContact CG1-CD2 4.28Å; V133-V274 HydrophobicContact CG1-CG1 4.09Å; V133-V274 HydrophobicContact CG1-CG2 3.72Å |
| 134 | S | 96.8 | Very high | 97.4 | Very high | 19 Ų | 19 | 48.6 Ų | 48.6 | 13% | 0.133 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 118.3 | 170.2 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | K137 R138 I139 L272 | S134-K137 PolarHBondContact OG-N 3.31Å; S134-K137 VanDerWaalsContact OG-N 3.1Å; S134-R138 VanDerWaalsContact O-CA 3.26Å; S134-R138 WeakPolarHBondContact O-CA 3.2Å; S134-R138 PolarHBondContact O-N 3.03Å; S134-I139 PolarHBondContact N-O 3.2Å; S134-I139 PolarHBondContact O-N 3.04Å; S134-L272 VanDerWaalsContact CB-CD2 3.47Å |
| 135 | G | 95.3 | Very high | 97.4 | Very high | 50 Ų | 50 | 41.7 Ų | 41.7 | 52% | 0.515 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -37.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R138 | G135-R138 PolarHBondContact O-N 2.73Š|
| 136 | E | 92.9 | Very high | 97.4 | Very high | 142 Ų | 142 | 42.9 Ų | 42.9 | 66% | 0.664 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -46.9 | 178.3 | 177.9 | -106.7 | 132.5 | 0 | 0 | 111.4 | R138 | E136-R138 VanDerWaalsContact C-N 3.33Š|
| 137 | K | 93.1 | Very high | 97.4 | Very high | 22 Ų | 22 | 46.6 Ų | 46.6 | 10% | 0.096 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -10.1 | 179.8 | -59.3 | -163.5 | -171.6 | -41.3 | 0 | 113.4 | S134 I139 L272 R285 Q288 | S134-K137 PolarHBondContact OG-N 3.31Å; S134-K137 VanDerWaalsContact OG-N 3.1Å; K137-I139 HydrophobicContact CB-CD1 3.71Å; K137-I139 HydrophobicContact CB-CG1 3.96Å; K137-I139 HydrophobicContact CD-CD1 4.39Å; K137-L272 HydrophobicContact CD-CB 4.07Å; K137-L272 HydrophobicContact CD-CD2 4.36Å; K137-R285 PolarHBondContact O-NH2 2.75Å; K137-Q288 PolarHBondContact O-OE1 3.02Å |
| 138 | R | 96.9 | Very high | 97.4 | Very high | 46 Ų | 46 | 48.6 Ų | 48.6 | 17% | 0.174 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 56.6 | -174.1 | -61.4 | 167.4 | 66.1 | -173.4 | 8.7 | 110.7 | S134 G135 E136 Y140 L205 Y206 D208 | S134-R138 VanDerWaalsContact O-CA 3.26Å; S134-R138 WeakPolarHBondContact O-CA 3.2Å; S134-R138 PolarHBondContact O-N 3.03Å; G135-R138 PolarHBondContact O-N 2.73Å; E136-R138 VanDerWaalsContact C-N 3.33Å; R138-Y140 HydrophobicContact CB-CE2 4.01Å; R138-L205 PolarHBondContact NH2-O 3.22Å; R138-Y206 HydrophobicContact CB-CE1 4Å; R138-Y206 WeakPolarHBondContact O-CE1 3.38Å; R138-Y206 PolarHBondContact O-OH 2.7Å; R138-D208 IonicContact CZ-OD1 3.77Å; R138-D208 VanDerWaalsContact CZ-OD1 3.3Å; R138-D208 IonicContact CZ-OD2 2.81Å; R138-D208 VanDerWaalsContact NH1-CG 3.27Å; R138-D208 IonicContact NH1-OD1 2.74Å; R138-D208 PolarHBondContact NH1-OD1 3.11Å; R138-D208 IonicContact NH1-OD2 3.62Å; R138-D208 PolarHBondContact NH1-OD2 2.97Å; R138-D208 IonicContact NH2-OD1 2.76Å; R138-D208 PolarHBondContact NH2-OD1 2.92Å |
| 139 | I | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 126.9 | 176 | -61 | 168.7 | 0 | 0 | 0 | 107.3 | V133 S134 K137 F258 L272 V282 L283 H284 | V133-I139 HydrophobicContact CB-CB 4.44Å; V133-I139 HydrophobicContact CB-CG2 4.08Å; V133-I139 WeakPolarHBondContact CB-O 3.37Å; V133-I139 HydrophobicContact CG1-CG2 4.39Å; V133-I139 PolarHBondContact N-O 3.23Å; S134-I139 PolarHBondContact N-O 3.2Å; S134-I139 PolarHBondContact O-N 3.04Å; K137-I139 HydrophobicContact CB-CD1 3.71Å; K137-I139 HydrophobicContact CB-CG1 3.96Å; K137-I139 HydrophobicContact CD-CD1 4.39Å; I139-F258 HydrophobicContact CD1-CB 3.65Å; I139-F258 HydrophobicContact CD1-CD1 3.78Å; I139-F258 HydrophobicContact CD1-CD2 3.78Å; I139-F258 HydrophobicContact CD1-CE1 4.34Å; I139-F258 HydrophobicContact CD1-CE2 4.31Å; I139-F258 HydrophobicContact CD1-CG 3.46Å; I139-F258 VanDerWaalsContact CD1-CG 3.46Å; I139-L272 HydrophobicContact CD1-CD2 3.82Å; I139-V282 HydrophobicContact CG2-CG1 3.69Å; I139-L283 WeakPolarHBondContact CA-O 3.28Å; I139-H284 HydrophobicContact CG1-CB 4.14Å |
| 140 | Y | 98.7 | Very high | 97.4 | Very high | 9 Ų | 9 | 37.6 Ų | 37.6 | 4% | 0.035 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 153.8 | -175.5 | -47.9 | -79 | 0 | 0 | 0 | 110.2 | L127 E131 T132 R138 L205 Y206 V282 L283 | L127-Y140 HydrophobicContact CD2-CD1 3.61Å; L127-Y140 HydrophobicContact CD2-CE1 3.23Å; E131-Y140 CarbonylContact O-C 3.55Å; E131-Y140 VanDerWaalsContact O-CA 3.26Å; E131-Y140 WeakPolarHBondContact O-CA 3.37Å; T132-Y140 HydrophobicContact CG2-CD1 4.28Å; T132-Y140 HydrophobicContact CG2-CE1 4.1Å; R138-Y140 HydrophobicContact CB-CE2 4.01Å; Y140-L205 HydrophobicContact CD1-CD2 4.46Å; Y140-L205 HydrophobicContact CD2-CD1 3.98Å; Y140-L205 HydrophobicContact CD2-CD2 3.91Å; Y140-L205 HydrophobicContact CD2-CG 4.38Å; Y140-L205 HydrophobicContact CE1-CD2 4.37Å; Y140-L205 HydrophobicContact CE2-CB 4.26Å; Y140-L205 HydrophobicContact CE2-CD1 4.44Å; Y140-L205 HydrophobicContact CE2-CD2 3.77Å; Y140-L205 HydrophobicContact CE2-CG 4.37Å; Y140-L205 HydrophobicContact CG-CD2 4.25Å; Y140-Y206 AromaticContact CD2-CZ 3.94Å; Y140-Y206 VanDerWaalsContact CD2-OH 3.3Å; Y140-Y206 WeakPolarHBondContact CD2-OH 3.26Å; Y140-Y206 HydrophobicContact CE2-CE1 4.08Å; Y140-Y206 AromaticContact CE2-CZ 3.82Å; Y140-V282 WeakPolarHBondContact O-CA 3.34Å; Y140-L283 PolarHBondContact N-O 3.07Å; Y140-L283 VanDerWaalsContact N-O 3.13Å; Y140-L283 PolarHBondContact O-N 3.13Å |
| 141 | R | 98.7 | Very high | 97.4 | Very high | 22 Ų | 22 | 42.4 Ų | 42.4 | 8% | 0.083 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 142.8 | 175.3 | -170.5 | -175.2 | -65.2 | 123.9 | -15.1 | 110.4 | E131 V133 E275 Q280 G281 | E131-R141 HydrophobicContact CB-CB 4.14Å; E131-R141 PolarHBondContact N-O 2.83Å; E131-R141 PolarHBondContact O-N 3.09Å; E131-R141 IonicContact OE1-NH1 3.07Å; E131-R141 PolarHBondContact OE1-NH1 2.93Å; E131-R141 WeakPolarHBondContact OE2-CD 3.29Å; E131-R141 IonicContact OE2-CZ 3.83Å; E131-R141 IonicContact OE2-NH1 3.98Å; E131-R141 PolarHBondContact OE2-NH1 3.43Å; V133-R141 HydrophobicContact CG2-CB 3.7Å; R141-E275 PolarHBondContact NH2-O 2.88Å; R141-Q280 HydrophobicContact CG-CB 3.94Å; R141-Q280 VanDerWaalsContact CG-OE1 3.29Å; R141-G281 VanDerWaalsContact CA-O 3.28Å; R141-G281 WeakPolarHBondContact CA-O 3.36Å; R141-G281 WeakPolarHBondContact CG-O 2.98Å |
| 142 | V | 98.3 | Very high | 97.4 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 140.2 | 177.6 | 67.8 | 0 | 0 | 0 | 0 | 110.1 | F109 L130 V144 Q280 G281 L283 | F109-V142 HydrophobicContact CD2-CG1 3.91Å; F109-V142 HydrophobicContact CD2-CG2 4.15Å; F109-V142 HydrophobicContact CE2-CG1 4.19Å; L130-V142 HydrophobicContact CD2-CB 3.68Å; L130-V142 HydrophobicContact CD2-CG1 4.39Å; L130-V142 HydrophobicContact CD2-CG2 3.45Å; L130-V142 VanDerWaalsContact CD2-CG2 3.45Å; V142-V144 HydrophobicContact CG1-CG2 4.08Å; V142-V144 PolarHBondContact O-N 3.2Å; V142-Q280 CarbonylContact O-C 3.57Å; V142-Q280 WeakPolarHBondContact O-CA 3.42Å; V142-G281 PolarHBondContact N-O 3.4Å; V142-G281 PolarHBondContact O-N 3.36Å; V142-L283 HydrophobicContact CG1-CD1 4.34Å |
| 143 | P | 98.1 | Very high | 97.4 | Very high | 31 Ų | 31 | 35.3 Ų | 35.3 | 20% | 0.201 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 134.3 | 162.9 | -22.2 | 34.4 | 0 | 0 | 0 | 109.2 | A106 E108 F109 Q280 | A106-P143 HydrophobicContact CB-CB 3.55Å; E108-P143 HydrophobicContact CB-CG 4.23Å; E108-P143 HydrophobicContact CG-CG 4.37Å; F109-P143 VanDerWaalsContact CB-O 3.27Å; F109-P143 WeakPolarHBondContact CB-O 3.23Å; P143-Q280 HydrophobicContact CG-CG 4.39Å |
| 144 | V | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -112.2 | -54.8 | -178 | 179.7 | 0 | 0 | 0 | 0 | 111 | L105 A106 F109 V142 L243 V245 G279 | L105-V144 WeakPolarHBondContact CA-O 3.34Å; A106-V144 PolarHBondContact N-O 3.48Å; F109-V144 HydrophobicContact CD1-CG1 4.4Å; F109-V144 HydrophobicContact CE1-CG1 4.27Å; F109-V144 HydrophobicContact CZ-CG1 4.46Å; V142-V144 HydrophobicContact CG1-CG2 4.08Å; V142-V144 PolarHBondContact O-N 3.2Å; V144-L243 HydrophobicContact CG2-CD1 4.13Å; V144-V245 HydrophobicContact CB-CG1 4.41Å; V144-V245 HydrophobicContact CB-CG2 4.17Å; V144-V245 HydrophobicContact CG1-CG2 4.35Å; V144-V245 HydrophobicContact CG2-CG2 3.95Å; V144-G279 PolarHBondContact N-O 2.87Å | ||
| 145 | F | 98 | Very high | 97.5 | Very high | 6 Ų | 6 | 36.4 Ų | 36.4 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | B | Isolated β-bridge | trans | -111.6 | 155.5 | -178 | -59.7 | -68.4 | 0 | 0 | 0 | 111.2 | A104 L105 F149 L193 V245 L247 L303 | A104-F145 CarbonylContact O-C 3.4Å; A104-F145 VanDerWaalsContact O-CA 3.31Å; A104-F145 WeakPolarHBondContact O-CA 3.34Å; L105-F145 HydrophobicContact CD2-CD1 3.76Å; L105-F145 HydrophobicContact CD2-CE1 3.8Å; F145-F149 HydrophobicContact CB-CD1 3.84Å; F145-F149 AromaticContact CD1-CD1 3.36Å; F145-F149 HydrophobicContact CD1-CD1 3.36Å; F145-F149 AromaticContact CD1-CE1 3.49Å; F145-F149 HydrophobicContact CD1-CE1 3.49Å; F145-F149 VanDerWaalsContact CD1-CE1 3.49Å; F145-F149 HydrophobicContact CD1-CG 4.4Å; F145-F149 HydrophobicContact CD2-CD1 4.47Å; F145-F149 HydrophobicContact CE1-CD1 4.02Å; F145-F149 AromaticContact CE1-CE1 3.63Å; F145-F149 HydrophobicContact CE1-CE1 3.63Å; F145-F149 AromaticContact CG-CD1 3.64Å; F145-F149 HydrophobicContact CG-CD1 3.64Å; F145-F149 HydrophobicContact CG-CE1 4.03Å; F145-F149 HydrophobicContact CZ-CE1 4.27Å; F145-L193 HydrophobicContact CZ-CD2 3.91Å; F145-V245 HydrophobicContact CD2-CG1 4.1Å; F145-V245 HydrophobicContact CE2-CG1 4.4Å; F145-V245 HydrophobicContact CE2-CG2 4.35Å; F145-L247 HydrophobicContact CD2-CD2 4.5Å; F145-L303 HydrophobicContact CE2-CD2 3.92Å; F145-L303 HydrophobicContact CZ-CD2 4.21Å |
| 146 | T | 97.8 | Very high | 97.6 | Very high | 34 Ų | 34 | 34 Ų | 34 | 21% | 0.209 | 18% | 0.184 | C | C | . | . | trans | -70 | 150.9 | 168.4 | 66.4 | 0 | 0 | 0 | 0 | 110.1 | A103 A104 L105 P148 F149 C150 | A103-T146 WeakPolarHBondContact O-CG2 3.35Å; A103-T146 PolarHBondContact O-OG1 3.26Å; A104-T146 PolarHBondContact O-N 2.93Å; L105-T146 WeakPolarHBondContact O-CG2 3.45Å; T146-P148 VanDerWaalsContact C-CD 3.49Å; T146-P148 VanDerWaalsContact C-N 3.33Å; T146-F149 PolarHBondContact O-N 3.46Å; T146-F149 VanDerWaalsContact O-N 3.1Å; T146-F149 PolarHBondContact OG1-N 2.96Å; T146-C150 PolarHBondContact O-N 2.7Å | ||
| 147 | A | 97.4 | Very high | 97.9 | Very high | 78 Ų | 78 | 27.3 Ų | 27.3 | 65% | 0.645 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -55.5 | -41 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | F149 C150 Q151 | A147-F149 PolarHBondContact O-N 3.44Å; A147-C150 WeakPolarHBondContact O-CB 3.36Å; A147-C150 PolarHBondContact O-N 2.89Å; A147-Q151 WeakPolarHBondContact O-CB 3.47Å; A147-Q151 PolarHBondContact O-N 2.92Å |
| 148 | P | 97.6 | Very high | 98.1 | Very high | 92 Ų | 92 | 28 Ų | 28 | 60% | 0.597 | 16% | 0.156 | S | C | * | . | H | α-helix | trans | -60.3 | -40.5 | 174.3 | -25.6 | 36.2 | 0 | 0 | 0 | 113.6 | T146 Q151 A152 | T146-P148 VanDerWaalsContact C-CD 3.49Å; T146-P148 VanDerWaalsContact C-N 3.33Å; P148-Q151 PolarHBondContact O-N 2.79Å; P148-A152 PolarHBondContact O-N 2.75Å |
| 149 | F | 97.7 | Very high | 98.1 | Very high | 29 Ų | 29 | 29.1 Ų | 29.1 | 13% | 0.127 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.5 | -43.2 | 177.6 | -176.1 | -96.1 | 0 | 0 | 0 | 111.8 | A104 F145 T146 A147 Q151 A152 L153 L189 | A104-F149 HydrophobicContact CB-CB 4.08Å; A104-F149 HydrophobicContact CB-CD1 4.26Å; A104-F149 HydrophobicContact CB-CD2 3.42Å; A104-F149 VanDerWaalsContact CB-CD2 3.42Å; A104-F149 HydrophobicContact CB-CE2 3.86Å; A104-F149 HydrophobicContact CB-CG 3.63Å; A104-F149 HydrophobicContact CB-CZ 4.45Å; F145-F149 HydrophobicContact CB-CD1 3.84Å; F145-F149 AromaticContact CD1-CD1 3.36Å; F145-F149 HydrophobicContact CD1-CD1 3.36Å; F145-F149 AromaticContact CD1-CE1 3.49Å; F145-F149 HydrophobicContact CD1-CE1 3.49Å; F145-F149 VanDerWaalsContact CD1-CE1 3.49Å; F145-F149 HydrophobicContact CD1-CG 4.4Å; F145-F149 HydrophobicContact CD2-CD1 4.47Å; F145-F149 HydrophobicContact CE1-CD1 4.02Å; F145-F149 AromaticContact CE1-CE1 3.63Å; F145-F149 HydrophobicContact CE1-CE1 3.63Å; F145-F149 AromaticContact CG-CD1 3.64Å; F145-F149 HydrophobicContact CG-CD1 3.64Å; F145-F149 HydrophobicContact CG-CE1 4.03Å; F145-F149 HydrophobicContact CZ-CE1 4.27Å; T146-F149 PolarHBondContact O-N 3.46Å; T146-F149 VanDerWaalsContact O-N 3.1Å; T146-F149 PolarHBondContact OG1-N 2.96Å; A147-F149 PolarHBondContact O-N 3.44Å; F149-Q151 VanDerWaalsContact C-N 3.25Å; F149-Q151 PolarHBondContact O-N 3.35Å; F149-A152 PolarHBondContact O-N 3.32Å; F149-L153 HydrophobicContact CE1-CB 4.38Å; F149-L153 HydrophobicContact CE1-CD2 4.13Å; F149-L153 WeakPolarHBondContact O-CB 3.41Å; F149-L153 PolarHBondContact O-N 2.78Å; F149-L189 HydrophobicContact CE1-CD1 4.16Å; F149-L189 HydrophobicContact CE1-CD2 4.5Å; F149-L189 HydrophobicContact CZ-CD1 3.57Å; F149-L189 HydrophobicContact CZ-CD2 4Å; F149-L189 HydrophobicContact CZ-CG 4.44Å |
| 150 | C | 98.2 | Very high | 98.1 | Very high | 4 Ų | 4 | 29.4 Ų | 29.4 | 3% | 0.027 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -53.1 | -44.6 | 171.8 | -89.1 | 0 | 0 | 0 | 0 | 111.9 | T146 A147 L154 L247 | T146-C150 PolarHBondContact O-N 2.7Å; A147-C150 WeakPolarHBondContact O-CB 3.36Å; A147-C150 PolarHBondContact O-N 2.89Å; C150-L154 WeakPolarHBondContact O-CB 3.45Å; C150-L154 PolarHBondContact O-N 2.79Å; C150-L247 VanDerWaalsContact CB-O 3.29Å; C150-L247 WeakPolarHBondContact CB-O 3.31Å |
| 151 | Q | 97.9 | Very high | 97.9 | Very high | 116 Ų | 116 | 30.8 Ų | 30.8 | 54% | 0.542 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -65 | -49.6 | 177.3 | 179.5 | 174.2 | -0.2 | 0 | 0 | 112 | A147 P148 F149 L153 L154 E155 | A147-Q151 WeakPolarHBondContact O-CB 3.47Å; A147-Q151 PolarHBondContact O-N 2.92Å; P148-Q151 PolarHBondContact O-N 2.79Å; F149-Q151 VanDerWaalsContact C-N 3.25Å; F149-Q151 PolarHBondContact O-N 3.35Å; Q151-L153 PolarHBondContact O-N 3.11Å; Q151-L154 PolarHBondContact O-N 2.86Å; Q151-E155 HydrophobicContact CG-CG 4.41Å; Q151-E155 VanDerWaalsContact CG-OE1 3.23Å; Q151-E155 WeakPolarHBondContact CG-OE1 3.4Å; Q151-E155 PolarHBondContact NE2-OE1 3.11Å; Q151-E155 WeakPolarHBondContact O-CG 3.48Å; Q151-E155 PolarHBondContact O-N 2.94Å |
| 152 | A | 98.3 | Very high | 97.8 | Very high | 8 Ų | 8 | 37 Ų | 37 | 7% | 0.066 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.8 | -45 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | R93 V96 P148 F149 L154 E155 E156 | R93-A152 WeakPolarHBondContact CG-O 3.27Å; V96-A152 HydrophobicContact CG2-CB 4.07Å; P148-A152 PolarHBondContact O-N 2.75Å; F149-A152 PolarHBondContact O-N 3.32Å; A152-L154 VanDerWaalsContact C-N 3.34Å; A152-L154 PolarHBondContact O-N 3.29Å; A152-E155 PolarHBondContact O-N 2.77Å; A152-E156 PolarHBondContact O-N 2.93Å; A152-E156 VanDerWaalsContact O-N 3.09Å |
| 153 | L | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.9 | -42.9 | 176 | 178.5 | 59.6 | 0 | 0 | 0 | 111.2 | V96 F149 Q151 E156 L157 L185 L189 L247 | V96-L153 HydrophobicContact CG1-CD1 3.71Å; F149-L153 HydrophobicContact CE1-CB 4.38Å; F149-L153 HydrophobicContact CE1-CD2 4.13Å; F149-L153 WeakPolarHBondContact O-CB 3.41Å; F149-L153 PolarHBondContact O-N 2.78Å; Q151-L153 PolarHBondContact O-N 3.11Å; L153-E156 PolarHBondContact O-N 3.08Å; L153-L157 HydrophobicContact CD1-CD1 4.02Å; L153-L157 HydrophobicContact CD1-CG 4.16Å; L153-L157 HydrophobicContact CG-CD1 3.82Å; L153-L157 HydrophobicContact CG-CG 4.43Å; L153-L157 WeakPolarHBondContact O-CD1 3.31Å; L153-L157 WeakPolarHBondContact O-CG 3.48Å; L153-L157 PolarHBondContact O-N 3.17Å; L153-L185 HydrophobicContact CD1-CD1 4.27Å; L153-L189 HydrophobicContact CD1-CD2 4.41Å; L153-L247 HydrophobicContact CD2-CD1 4.14Å; L153-L247 HydrophobicContact CD2-CD2 3.97Å; L153-L247 HydrophobicContact CG-CD1 4.43Å |
| 154 | L | 98.1 | Very high | 97.6 | Very high | 12 Ų | 12 | 44.6 Ų | 44.6 | 6% | 0.063 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65 | -43.1 | 178.9 | -175.8 | 61.4 | 0 | 0 | 0 | 112.2 | C150 Q151 A152 E156 L157 E158 K249 W301 | C150-L154 WeakPolarHBondContact O-CB 3.45Å; C150-L154 PolarHBondContact O-N 2.79Å; Q151-L154 PolarHBondContact O-N 2.86Å; A152-L154 VanDerWaalsContact C-N 3.34Å; A152-L154 PolarHBondContact O-N 3.29Å; L154-E156 VanDerWaalsContact C-N 3.31Å; L154-E156 PolarHBondContact O-N 3Å; L154-L157 PolarHBondContact O-N 3.39Å; L154-E158 HydrophobicContact CD1-CG 4.4Å; L154-E158 WeakPolarHBondContact O-CB 3.21Å; L154-E158 VanDerWaalsContact O-CG 3.31Å; L154-E158 WeakPolarHBondContact O-CG 3.45Å; L154-E158 PolarHBondContact O-N 2.85Å; L154-K249 HydrophobicContact CD2-CD 3.91Å; L154-K249 HydrophobicContact CD2-CG 3.97Å; L154-W301 HydrophobicContact CD1-CB 3.76Å; L154-W301 HydrophobicContact CD1-CD2 3.58Å; L154-W301 HydrophobicContact CD1-CE3 3.99Å; L154-W301 HydrophobicContact CD1-CG 3.48Å; L154-W301 VanDerWaalsContact CD1-CG 3.48Å |
| 155 | E | 98.5 | Very high | 97.6 | Very high | 62 Ų | 62 | 46.3 Ų | 46.3 | 29% | 0.29 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -59.8 | -40.9 | 176.3 | -74.1 | 170.5 | -172.9 | 0 | 0 | 111.8 | R93 Q151 A152 H159 | R93-E155 HydrophobicContact CG-CB 4.08Å; R93-E155 IonicContact CZ-OE2 3.06Å; R93-E155 VanDerWaalsContact CZ-OE2 3.3Å; R93-E155 IonicContact NE-OE2 3.36Å; R93-E155 IonicContact NH1-OE2 2.83Å; R93-E155 PolarHBondContact NH1-OE2 2.95Å; Q151-E155 HydrophobicContact CG-CG 4.41Å; Q151-E155 VanDerWaalsContact CG-OE1 3.23Å; Q151-E155 WeakPolarHBondContact CG-OE1 3.4Å; Q151-E155 PolarHBondContact NE2-OE1 3.11Å; Q151-E155 WeakPolarHBondContact O-CG 3.48Å; Q151-E155 PolarHBondContact O-N 2.94Å; A152-E155 PolarHBondContact O-N 2.77Å; E155-H159 WeakPolarHBondContact O-CB 3.27Å; E155-H159 PolarHBondContact O-N 2.97Å |
| 156 | E | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.5 | -45.7 | 175.1 | -175.8 | 57 | -162.8 | 0 | 0 | 112.3 | Y89 P91 A92 R93 Y97 A152 L153 L154 E158 H159 F160 | Y89-E156 VanDerWaalsContact CE1-OE1 3.24Å; Y89-E156 WeakPolarHBondContact CE1-OE1 3.34Å; Y89-E156 PolarHBondContact OH-O 2.79Å; Y89-E156 PolarHBondContact OH-OE1 2.78Å; P91-E156 VanDerWaalsContact CA-OE1 3.27Å; P91-E156 WeakPolarHBondContact CA-OE1 3.41Å; P91-E156 WeakPolarHBondContact CB-OE1 3.36Å; A92-E156 WeakPolarHBondContact CA-OE2 3.37Å; A92-E156 PolarHBondContact N-OE2 3.26Å; R93-E156 HydrophobicContact CB-CB 4.11Å; R93-E156 HydrophobicContact CG-CB 4.21Å; R93-E156 PolarHBondContact N-OE2 3.39Å; Y97-E156 HydrophobicContact CE2-CG 4Å; Y97-E156 WeakPolarHBondContact CE2-OE1 3.46Å; Y97-E156 PolarHBondContact OH-OE1 2.82Å; A152-E156 PolarHBondContact O-N 2.93Å; A152-E156 VanDerWaalsContact O-N 3.09Å; L153-E156 PolarHBondContact O-N 3.08Å; L154-E156 VanDerWaalsContact C-N 3.31Å; L154-E156 PolarHBondContact O-N 3Å; E156-E158 VanDerWaalsContact C-N 3.33Å; E156-E158 PolarHBondContact O-N 3.19Å; E156-H159 PolarHBondContact O-N 3.32Å; E156-F160 PolarHBondContact O-N 3.44Å |
| 157 | L | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.9 | -38.2 | 179.9 | -67.7 | 164.8 | 0 | 0 | 0 | 111.9 | L153 L154 F160 E161 V178 L180 L183 V221 L247 W301 | L153-L157 HydrophobicContact CD1-CD1 4.02Å; L153-L157 HydrophobicContact CD1-CG 4.16Å; L153-L157 HydrophobicContact CG-CD1 3.82Å; L153-L157 HydrophobicContact CG-CG 4.43Å; L153-L157 WeakPolarHBondContact O-CD1 3.31Å; L153-L157 WeakPolarHBondContact O-CG 3.48Å; L153-L157 PolarHBondContact O-N 3.17Å; L154-L157 PolarHBondContact O-N 3.39Å; L157-F160 PolarHBondContact O-N 3.02Å; L157-E161 WeakPolarHBondContact O-CB 3.14Å; L157-E161 WeakPolarHBondContact O-CG 2.94Å; L157-E161 PolarHBondContact O-N 3.01Å; L157-V178 HydrophobicContact CD2-CB 3.88Å; L157-V178 HydrophobicContact CD2-CG1 3.93Å; L157-V178 HydrophobicContact CD2-CG2 4.03Å; L157-L180 HydrophobicContact CD2-CD2 3.98Å; L157-L183 HydrophobicContact CD2-CD2 4.18Å; L157-V221 HydrophobicContact CD1-CB 4.4Å; L157-V221 HydrophobicContact CD1-CG1 4.28Å; L157-V221 HydrophobicContact CD1-CG2 3.74Å; L157-V221 HydrophobicContact CD2-CG2 4.17Å; L157-L247 HydrophobicContact CD1-CD1 3.73Å; L157-W301 HydrophobicContact CB-CE3 4.37Å; L157-W301 HydrophobicContact CB-CZ3 3.83Å |
| 158 | E | 97.4 | Very high | 97 | Very high | 37 Ų | 37 | 46.7 Ų | 46.7 | 17% | 0.173 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66 | -43 | 174.4 | -73.6 | -172.6 | 116.4 | 0 | 0 | 111.9 | L154 E156 F160 E161 Q162 K249 W301 | L154-E158 HydrophobicContact CD1-CG 4.4Å; L154-E158 WeakPolarHBondContact O-CB 3.21Å; L154-E158 VanDerWaalsContact O-CG 3.31Å; L154-E158 WeakPolarHBondContact O-CG 3.45Å; L154-E158 PolarHBondContact O-N 2.85Å; E156-E158 VanDerWaalsContact C-N 3.33Å; E156-E158 PolarHBondContact O-N 3.19Å; E158-F160 VanDerWaalsContact C-N 3.32Å; E158-F160 PolarHBondContact O-N 3.03Å; E158-E161 PolarHBondContact O-N 3.27Å; E158-Q162 WeakPolarHBondContact O-CB 3.48Å; E158-Q162 VanDerWaalsContact O-CG 3.23Å; E158-Q162 WeakPolarHBondContact O-CG 3.41Å; E158-Q162 PolarHBondContact O-N 3Å; E158-K249 VanDerWaalsContact CD-CE 3.5Å; E158-K249 WeakPolarHBondContact OE1-CE 3.17Å; E158-K249 IonicContact OE1-NZ 3.89Å; E158-K249 PolarHBondContact OE1-NZ 3.27Å; E158-K249 IonicContact OE2-NZ 3.3Å; E158-K249 PolarHBondContact OE2-NZ 3.02Å; E158-W301 HydrophobicContact CG-CH2 3.95Å; E158-W301 HydrophobicContact CG-CZ2 3.67Å |
| 159 | H | 98.2 | Very high | 96.7 | Very high | 70 Ų | 70 | 48.1 Ų | 48.1 | 32% | 0.324 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.4 | -42.6 | 174.8 | 178.9 | 61.2 | 0 | 0 | 0 | 111.3 | Y89 H90 A92 E155 E156 Q162 S163 | Y89-H159 AromaticContact CE2-CD2 3.93Å; Y89-H159 AromaticContact CZ-CD2 3.67Å; Y89-H159 PolarHBondContact OH-CD2 3.3Å; H90-H159 PolarHBondContact O-CD2 2.94Å; H90-H159 PolarHBondContact O-NE2 2.85Å; A92-H159 HydrophobicContact CB-CB 3.76Å; A92-H159 WeakPolarHBondContact CB-CD2 3.43Å; A92-H159 PolarHBondContact N-CD2 2.89Å; E155-H159 WeakPolarHBondContact O-CB 3.27Å; E155-H159 PolarHBondContact O-N 2.97Å; E156-H159 PolarHBondContact O-N 3.32Å; H159-Q162 PolarHBondContact O-N 3.45Å; H159-S163 PolarHBondContact O-N 3.36Å; H159-S163 VanDerWaalsContact O-N 3.16Å |
| 160 | F | 98 | Very high | 96.3 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 2% | 0.022 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.7 | -45.6 | 175.3 | -178.3 | -106.8 | 0 | 0 | 0 | 112.1 | I85 Y89 E156 L157 E158 Q162 S163 M165 K167 V178 L183 | I85-F160 HydrophobicContact CD1-CE2 4.05Å; I85-F160 HydrophobicContact CD1-CZ 3.72Å; I85-F160 HydrophobicContact CG1-CE2 4.02Å; I85-F160 HydrophobicContact CG1-CZ 4.17Å; I85-F160 HydrophobicContact CG2-CE2 4Å; Y89-F160 HydrophobicContact CD1-CD2 4.12Å; Y89-F160 AromaticContact CD2-CD2 3.95Å; Y89-F160 HydrophobicContact CD2-CD2 3.95Å; Y89-F160 HydrophobicContact CE1-CB 4.37Å; Y89-F160 AromaticContact CE1-CD2 3.9Å; Y89-F160 HydrophobicContact CE1-CD2 3.9Å; Y89-F160 HydrophobicContact CE2-CB 4.26Å; Y89-F160 AromaticContact CE2-CD2 3.75Å; Y89-F160 HydrophobicContact CE2-CD2 3.75Å; Y89-F160 HydrophobicContact CE2-CG 4.5Å; Y89-F160 HydrophobicContact CG-CD2 4.14Å; Y89-F160 AromaticContact CZ-CD2 3.71Å; Y89-F160 WeakPolarHBondContact OH-CA 3.26Å; Y89-F160 VanDerWaalsContact OH-CB 3.31Å; Y89-F160 WeakPolarHBondContact OH-CB 3.47Å; Y89-F160 PolarHBondContact OH-N 3.47Å; E156-F160 PolarHBondContact O-N 3.44Å; L157-F160 PolarHBondContact O-N 3.02Å; E158-F160 VanDerWaalsContact C-N 3.32Å; E158-F160 PolarHBondContact O-N 3.03Å; F160-Q162 PolarHBondContact O-N 3.48Å; F160-S163 WeakPolarHBondContact O-CB 3.37Å; F160-S163 PolarHBondContact O-N 2.89Å; F160-S163 VanDerWaalsContact O-N 3.11Å; F160-S163 PolarHBondContact O-OG 2.77Å; F160-M165 HydrophobicContact CD2-CB 4.43Å; F160-M165 HydrophobicContact CE2-CB 3.68Å; F160-M165 HydrophobicContact CE2-CG 4.2Å; F160-M165 HydrophobicContact CZ-CB 4.23Å; F160-K167 HydrophobicContact CE1-CG 3.84Å; F160-K167 HydrophobicContact CZ-CG 4.18Å; F160-K167 VanDerWaalsContact O-CE 3.23Å; F160-K167 WeakPolarHBondContact O-CE 3.46Å; F160-K167 PolarHBondContact O-NZ 3.07Å; F160-V178 HydrophobicContact CD1-CB 4.41Å; F160-V178 HydrophobicContact CD1-CG1 3.7Å; F160-V178 HydrophobicContact CD1-CG2 3.83Å; F160-V178 HydrophobicContact CE1-CG1 3.87Å; F160-V178 HydrophobicContact CE1-CG2 4.41Å; F160-L183 HydrophobicContact CB-CD1 4.37Å; F160-L183 HydrophobicContact CB-CD2 4.39Å; F160-L183 HydrophobicContact CD1-CD1 4.41Å; F160-L183 HydrophobicContact CD2-CD1 3.46Å; F160-L183 VanDerWaalsContact CD2-CD1 3.46Å; F160-L183 HydrophobicContact CE2-CD1 3.77Å; F160-L183 HydrophobicContact CG-CD1 3.82Å; F160-L183 HydrophobicContact CG-CD2 4.32Å; F160-L183 HydrophobicContact CZ-CD1 4.37Å |
| 161 | E | 95.2 | Very high | 95.7 | Very high | 39 Ų | 39 | 47.5 Ų | 47.5 | 18% | 0.182 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.9 | -35.1 | 177.5 | -82.9 | -68.8 | 106.5 | 0 | 0 | 112.5 | L157 E158 K167 V178 W301 | L157-E161 WeakPolarHBondContact O-CB 3.14Å; L157-E161 WeakPolarHBondContact O-CG 2.94Å; L157-E161 PolarHBondContact O-N 3.01Å; E158-E161 PolarHBondContact O-N 3.27Å; E161-K167 VanDerWaalsContact CA-CE 3.44Å; E161-K167 WeakPolarHBondContact O-CE 3.3Å; E161-K167 WeakPolarHBondContact OE1-CD 3.47Å; E161-V178 HydrophobicContact CG-CG2 3.83Å; E161-W301 HydrophobicContact CB-CH2 4.27Å; E161-W301 HydrophobicContact CG-CH2 3.7Å; E161-W301 HydrophobicContact CG-CZ3 4.19Å |
| 162 | Q | 95.5 | Very high | 95.1 | Very high | 151 Ų | 151 | 47.2 Ų | 47.2 | 71% | 0.706 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -80.5 | -13.1 | 178.5 | -68.9 | 169 | 20 | 0 | 0 | 114 | E158 H159 F160 | E158-Q162 WeakPolarHBondContact O-CB 3.48Å; E158-Q162 VanDerWaalsContact O-CG 3.23Å; E158-Q162 WeakPolarHBondContact O-CG 3.41Å; E158-Q162 PolarHBondContact O-N 3Å; H159-Q162 PolarHBondContact O-N 3.45Å; F160-Q162 PolarHBondContact O-N 3.48Å |
| 163 | S | 96.8 | Very high | 94.6 | Very high | 28 Ų | 28 | 50.4 Ų | 50.4 | 20% | 0.196 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -77.4 | 164.3 | 179.6 | 77.8 | 0 | 0 | 0 | 0 | 113 | H159 F160 M165 K167 | H159-S163 PolarHBondContact O-N 3.36Å; H159-S163 VanDerWaalsContact O-N 3.16Å; F160-S163 WeakPolarHBondContact O-CB 3.37Å; F160-S163 PolarHBondContact O-N 2.89Å; F160-S163 VanDerWaalsContact O-N 3.11Å; F160-S163 PolarHBondContact O-OG 2.77Å; S163-M165 PolarHBondContact O-N 2.74Å; S163-M165 WeakPolarHBondContact OG-CB 3.31Å; S163-M165 PolarHBondContact OG-N 3.39Å; S163-K167 PolarHBondContact O-NZ 3.22Å |
| 164 | D | 96.2 | Very high | 94.2 | Very high | 165 Ų | 165 | 50.5 Ų | 50.5 | 88% | 0.882 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -80.1 | 5.2 | 173.7 | -65.5 | -39 | 0 | 0 | 0 | 113.7 | ||
| 165 | M | 97.7 | Very high | 93.8 | Very high | 36 Ų | 36 | 53.9 Ų | 53.9 | 18% | 0.177 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -64.3 | 144.8 | 178.6 | -68.4 | -62.5 | 100.6 | 0 | 0 | 111.5 | I85 Y89 F160 S163 K167 | I85-M165 HydrophobicContact CG1-CB 4.25Å; Y89-M165 HydrophobicContact CD2-CG 3.75Å; Y89-M165 HydrophobicContact CG-CG 4.15Å; F160-M165 HydrophobicContact CD2-CB 4.43Å; F160-M165 HydrophobicContact CE2-CB 3.68Å; F160-M165 HydrophobicContact CE2-CG 4.2Å; F160-M165 HydrophobicContact CZ-CB 4.23Å; S163-M165 PolarHBondContact O-N 2.74Å; S163-M165 WeakPolarHBondContact OG-CB 3.31Å; S163-M165 PolarHBondContact OG-N 3.39Å; M165-K167 PolarHBondContact O-NZ 2.84Å |
| 166 | P | 96.1 | Very high | 93.5 | Very high | 43 Ų | 43 | 55.1 Ų | 55.1 | 28% | 0.279 | 28% | 0.275 | S | S | . | . | trans | -67.6 | 142.3 | 178 | 33.4 | -39.3 | 0 | 0 | 0 | 110.4 | R81 L84 | R81-P166 HydrophobicContact CB-CG 4.16Å; R81-P166 HydrophobicContact CG-CB 3.81Å; R81-P166 HydrophobicContact CG-CG 3.82Å; L84-P166 HydrophobicContact CD2-CG 3.97Å | ||
| 167 | K | 93.5 | Very high | 93.3 | Very high | 74 Ų | 74 | 55.2 Ų | 55.2 | 32% | 0.322 | 28% | 0.276 | S | S | . | . | trans | -123.8 | 126.7 | -175 | -65.6 | 160.9 | -178.2 | 75.5 | 0 | 110.3 | F160 E161 S163 M165 | F160-K167 HydrophobicContact CE1-CG 3.84Å; F160-K167 HydrophobicContact CZ-CG 4.18Å; F160-K167 VanDerWaalsContact O-CE 3.23Å; F160-K167 WeakPolarHBondContact O-CE 3.46Å; F160-K167 PolarHBondContact O-NZ 3.07Å; E161-K167 VanDerWaalsContact CA-CE 3.44Å; E161-K167 WeakPolarHBondContact O-CE 3.3Å; E161-K167 WeakPolarHBondContact OE1-CD 3.47Å; S163-K167 PolarHBondContact O-NZ 3.22Å; M165-K167 PolarHBondContact O-NZ 2.84Å | ||
| 168 | G | 92 | Very high | 93.3 | Very high | 9 Ų | 9 | 55.3 Ų | 55.3 | 9% | 0.093 | 28% | 0.276 | C | S | . | . | trans | -79.7 | 152.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | E182 | G168-E182 PolarHBondContact N-OE2 2.67Š| ||
| 169 | R | 91.4 | Very high | 93.3 | Very high | 122 Ų | 122 | 53.9 Ų | 53.9 | 46% | 0.46 | 27% | 0.27 | S | S | . | . | trans | -69.6 | 136.4 | 173.7 | -71.3 | -178.3 | 61.8 | -172.8 | -3.6 | 110.7 | N171 T172 N174 N175 | R169-N171 VanDerWaalsContact C-N 3.31Å; R169-N171 PolarHBondContact O-N 2.85Å; R169-T172 PolarHBondContact NH2-O 3.48Å; R169-N174 PolarHBondContact NE-O 3.07Å; R169-N174 PolarHBondContact NH2-O 3.34Å; R169-N175 VanDerWaalsContact CZ-OD1 3.27Å; R169-N175 PolarHBondContact NH2-OD1 3.44Å | ||
| 170 | P | 87.3 | Confident | 93.2 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -58.3 | -41.1 | 179.5 | -27 | 35.2 | 0 | 0 | 0 | 113 | R218 F220 V221 V222 | P170-R218 PolarHBondContact O-NH1 3.06Å; P170-R218 PolarHBondContact O-NH2 2.79Å; P170-F220 HydrophobicContact CB-CB 4.13Å; P170-F220 HydrophobicContact CB-CD2 3.66Å; P170-F220 HydrophobicContact CB-CE2 4.44Å; P170-F220 HydrophobicContact CB-CG 4.14Å; P170-V221 WeakPolarHBondContact CG-O 3.16Å; P170-V222 HydrophobicContact CB-CG1 4.16Å |
| 171 | N | 87.4 | Confident | 93.1 | Very high | 20 Ų | 20 | 52.3 Ų | 52.3 | 11% | 0.107 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -155.6 | -175.8 | 172.7 | 63.4 | 56.2 | 0 | 0 | 0 | 110 | R169 M173 N174 W306 | R169-N171 VanDerWaalsContact C-N 3.31Å; R169-N171 PolarHBondContact O-N 2.85Å; N171-M173 PolarHBondContact O-N 3.19Å; N171-M173 WeakPolarHBondContact OD1-CA 3.45Å; N171-M173 PolarHBondContact OD1-N 3.26Å; N171-N174 PolarHBondContact ND2-OD1 3.21Å; N171-N174 PolarHBondContact OD1-N 3.16Å; N171-N174 PolarHBondContact OD1-OD1 3.43Å; N171-W306 HydrophobicContact CB-CH2 4.45Å |
| 172 | T | 83.4 | Confident | 93.2 | Very high | 109 Ų | 109 | 50.7 Ų | 50.7 | 67% | 0.669 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -70.4 | -18.1 | -177.7 | 47.7 | 0 | 0 | 0 | 0 | 114.1 | R169 | R169-T172 PolarHBondContact NH2-O 3.48Š|
| 173 | M | 88.3 | Confident | 93.3 | Very high | 76 Ų | 76 | 43.9 Ų | 43.9 | 37% | 0.374 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -108.7 | -18.2 | -174.1 | -61.8 | -177.8 | 67 | 0 | 0 | 113.6 | N171 L232 G233 H235 | N171-M173 PolarHBondContact O-N 3.19Å; N171-M173 WeakPolarHBondContact OD1-CA 3.45Å; N171-M173 PolarHBondContact OD1-N 3.26Å; M173-L232 HydrophobicContact CB-CD1 3.47Å; M173-L232 VanDerWaalsContact CB-CD1 3.47Å; M173-L232 HydrophobicContact CE-CD1 4.27Å; M173-L232 HydrophobicContact CE-CG 4.47Å; M173-G233 WeakPolarHBondContact CE-O 3.44Å; M173-H235 HydrophobicContact CE-CB 4.4Å; M173-H235 HydrophobicContact SD-CB 3.77Å |
| 174 | N | 90.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | trans | -102.8 | 142.3 | 174.2 | -70.4 | 109.3 | 0 | 0 | 0 | 111.5 | R169 N171 V222 Y224 D229 | R169-N174 PolarHBondContact NE-O 3.07Å; R169-N174 PolarHBondContact NH2-O 3.34Å; N171-N174 PolarHBondContact ND2-OD1 3.21Å; N171-N174 PolarHBondContact OD1-N 3.16Å; N171-N174 PolarHBondContact OD1-OD1 3.43Å; N174-V222 HydrophobicContact CB-CG1 4.16Å; N174-V222 WeakPolarHBondContact OD1-CG1 3.13Å; N174-Y224 PolarHBondContact ND2-OH 2.95Å; N174-Y224 VanDerWaalsContact ND2-OH 3.07Å; N174-D229 WeakPolarHBondContact CA-OD2 3.3Å; N174-D229 PolarHBondContact ND2-OD2 2.9Å | ||
| 175 | N | 89.6 | Confident | 93.4 | Very high | 84 Ų | 84 | 36.3 Ų | 36.3 | 45% | 0.449 | 19% | 0.189 | S | C | . | . | trans | -100.2 | -26.5 | 177.5 | -61.5 | -59.6 | 0 | 0 | 0 | 112.1 | R169 D229 | R169-N175 VanDerWaalsContact CZ-OD1 3.27Å; R169-N175 PolarHBondContact NH2-OD1 3.44Å; N175-D229 PolarHBondContact N-OD2 3.01Å; N175-D229 PolarHBondContact ND2-OD1 3.15Å | ||
| 176 | Y | 92.4 | Very high | 93.3 | Very high | 87 Ų | 87 | 35.5 Ų | 35.5 | 34% | 0.341 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -122 | 138.1 | -171.7 | -58 | -84.7 | 0 | 0 | 0 | 112.9 | K223 Q228 D229 | Y176-K223 PolarHBondContact O-N 3.47Å; Y176-K223 VanDerWaalsContact O-N 3.15Å; Y176-Q228 HydrophobicContact CD1-CG 4.3Å; Y176-Q228 HydrophobicContact CD2-CB 3.66Å; Y176-Q228 HydrophobicContact CD2-CG 4.14Å; Y176-Q228 HydrophobicContact CE1-CG 4.07Å; Y176-Q228 HydrophobicContact CE2-CB 3.58Å; Y176-Q228 HydrophobicContact CE2-CG 3.91Å; Y176-Q228 HydrophobicContact CG-CB 4.22Å; Y176-Q228 HydrophobicContact CG-CG 4.32Å; Y176-D229 HydrophobicContact CD2-CB 4.45Å |
| 177 | G | 94.1 | Very high | 93.3 | Very high | 3 Ų | 3 | 40 Ų | 40 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 131.6 | -171.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | V221 | G177-V221 CarbonylContact C-O 3.46Å; G177-V221 WeakPolarHBondContact CA-O 3.1Å |
| 178 | V | 97.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 136.2 | -163.3 | -176.6 | 0 | 0 | 0 | 0 | 111.6 | L157 F160 E161 L183 F220 V221 | L157-V178 HydrophobicContact CD2-CB 3.88Å; L157-V178 HydrophobicContact CD2-CG1 3.93Å; L157-V178 HydrophobicContact CD2-CG2 4.03Å; F160-V178 HydrophobicContact CD1-CB 4.41Å; F160-V178 HydrophobicContact CD1-CG1 3.7Å; F160-V178 HydrophobicContact CD1-CG2 3.83Å; F160-V178 HydrophobicContact CE1-CG1 3.87Å; F160-V178 HydrophobicContact CE1-CG2 4.41Å; E161-V178 HydrophobicContact CG-CG2 3.83Å; V178-L183 HydrophobicContact CG1-CB 4.33Å; V178-L183 HydrophobicContact CG1-CD2 3.94Å; V178-F220 CarbonylContact O-C 3.54Å; V178-F220 WeakPolarHBondContact O-CA 3.45Å; V178-F220 WeakPolarHBondContact O-CB 3.2Å; V178-V221 PolarHBondContact N-O 3.06Å; V178-V221 PolarHBondContact O-N 2.93Å |
| 179 | L | 97.3 | Very high | 93.8 | Very high | 8 Ų | 8 | 37 Ų | 37 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 113.9 | 170.1 | -68.4 | 168.8 | 0 | 0 | 0 | 109.4 | H181 E182 L183 F220 | L179-H181 VanDerWaalsContact C-N 3.26Å; L179-H181 PolarHBondContact O-N 3.35Å; L179-E182 HydrophobicContact CB-CB 4.17Å; L179-E182 HydrophobicContact CB-CG 3.87Å; L179-E182 VanDerWaalsContact CD1-CD 3.5Å; L179-E182 HydrophobicContact CD1-CG 4.13Å; L179-E182 WeakPolarHBondContact CD1-OE1 3.29Å; L179-E182 PolarHBondContact O-N 2.93Å; L179-L183 PolarHBondContact O-N 3.46Å; L179-F220 HydrophobicContact CD2-CB 3.97Å |
| 180 | L | 97.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.5 | -31.5 | -173.3 | -64.7 | -160.1 | 0 | 0 | 0 | 112.6 | L157 L183 G184 L185 M190 A219 V221 L303 | L157-L180 HydrophobicContact CD2-CD2 3.98Å; L180-L183 CarbonylContact O-C 3.54Å; L180-L183 PolarHBondContact O-N 3.21Å; L180-G184 PolarHBondContact O-N 2.51Å; L180-L185 HydrophobicContact CB-CB 4.14Å; L180-L185 HydrophobicContact CD2-CD1 4.02Å; L180-L185 PolarHBondContact O-N 2.93Å; L180-M190 HydrophobicContact CD1-CE 4.09Å; L180-M190 HydrophobicContact CD1-CG 3.81Å; L180-M190 HydrophobicContact CD1-SD 3.71Å; L180-A219 HydrophobicContact CB-CB 4.14Å; L180-A219 HydrophobicContact CD1-CB 3.91Å; L180-A219 HydrophobicContact CG-CB 4.19Å; L180-A219 PolarHBondContact N-O 2.74Å; L180-A219 VanDerWaalsContact N-O 3.11Å; L180-V221 HydrophobicContact CD2-CG2 4.03Å; L180-L303 HydrophobicContact CD1-CD1 3.53Å; L180-L303 HydrophobicContact CG-CD1 4.3Å |
| 181 | H | 96.3 | Very high | 94.7 | Very high | 41 Ų | 41 | 32 Ų | 32 | 19% | 0.19 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.1 | -32.4 | 177.9 | 79.9 | -87.8 | 0 | 0 | 0 | 113.1 | S78 K82 L179 G184 D186 | S78-H181 PolarHBondContact OG-NE2 3.19Å; K82-H181 WeakPolarHBondContact CD-O 3.27Å; K82-H181 WeakPolarHBondContact CE-O 3.29Å; K82-H181 PolarHBondContact NZ-O 3.44Å; L179-H181 VanDerWaalsContact C-N 3.26Å; L179-H181 PolarHBondContact O-N 3.35Å; H181-G184 PolarHBondContact O-N 2.76Å; H181-D186 WeakPolarHBondContact CA-OD1 3.37Å; H181-D186 HydrophobicContact CB-CB 4.49Å; H181-D186 VanDerWaalsContact CB-CG 3.43Å; H181-D186 WeakPolarHBondContact CB-OD2 3.39Å; H181-D186 PolarHBondContact N-OD1 3.01Å |
| 182 | E | 96.8 | Very high | 95.2 | Very high | 5 Ų | 5 | 32.1 Ų | 32.1 | 2% | 0.023 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -73.8 | -33.3 | 174.8 | -61.9 | -169.8 | 169.9 | 0 | 0 | 110.8 | S78 R81 K82 I85 G168 L179 G184 | S78-E182 WeakPolarHBondContact CA-OE1 3.42Å; S78-E182 VanDerWaalsContact CB-OE1 3.28Å; S78-E182 WeakPolarHBondContact CB-OE1 3.46Å; S78-E182 PolarHBondContact OG-OE1 2.84Å; R81-E182 IonicContact CZ-OE1 2.71Å; R81-E182 IonicContact CZ-OE2 3.54Å; R81-E182 IonicContact NE-OE1 3.23Å; R81-E182 PolarHBondContact NE-OE1 3.18Å; R81-E182 VanDerWaalsContact NE-OE1 3.16Å; R81-E182 IonicContact NE-OE2 3.73Å; R81-E182 PolarHBondContact NE-OE2 3.02Å; R81-E182 IonicContact NH2-OE1 3.09Å; R81-E182 PolarHBondContact NH2-OE1 3.11Å; R81-E182 IonicContact NH2-OE2 2.75Å; K82-E182 HydrophobicContact CB-CB 4.48Å; I85-E182 HydrophobicContact CD1-CB 4.01Å; G168-E182 PolarHBondContact N-OE2 2.67Å; L179-E182 HydrophobicContact CB-CB 4.17Å; L179-E182 HydrophobicContact CB-CG 3.87Å; L179-E182 VanDerWaalsContact CD1-CD 3.5Å; L179-E182 HydrophobicContact CD1-CG 4.13Å; L179-E182 WeakPolarHBondContact CD1-OE1 3.29Å; L179-E182 PolarHBondContact O-N 2.93Å; E182-G184 VanDerWaalsContact C-N 3.27Å; E182-G184 PolarHBondContact O-N 2.76Å |
| 183 | L | 97.4 | Very high | 95.9 | Very high | 8 Ų | 8 | 27 Ų | 27 | 4% | 0.042 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -77.6 | -11.7 | 176.2 | -166.6 | 55.7 | 0 | 0 | 0 | 112.8 | I85 Y89 Y97 L157 F160 V178 L179 L180 L185 | I85-L183 HydrophobicContact CG2-CD1 4.09Å; Y89-L183 HydrophobicContact CD1-CD1 3.87Å; Y89-L183 HydrophobicContact CE1-CD1 3.73Å; Y97-L183 VanDerWaalsContact CE1-O 3.3Å; Y97-L183 WeakPolarHBondContact CE1-O 3.4Å; Y97-L183 WeakPolarHBondContact OH-CD1 3.22Å; Y97-L183 VanDerWaalsContact OH-CG 3.27Å; Y97-L183 WeakPolarHBondContact OH-CG 3.09Å; L157-L183 HydrophobicContact CD2-CD2 4.18Å; F160-L183 HydrophobicContact CB-CD1 4.37Å; F160-L183 HydrophobicContact CB-CD2 4.39Å; F160-L183 HydrophobicContact CD1-CD1 4.41Å; F160-L183 HydrophobicContact CD2-CD1 3.46Å; F160-L183 VanDerWaalsContact CD2-CD1 3.46Å; F160-L183 HydrophobicContact CE2-CD1 3.77Å; F160-L183 HydrophobicContact CG-CD1 3.82Å; F160-L183 HydrophobicContact CG-CD2 4.32Å; F160-L183 HydrophobicContact CZ-CD1 4.37Å; V178-L183 HydrophobicContact CG1-CB 4.33Å; V178-L183 HydrophobicContact CG1-CD2 3.94Å; L179-L183 PolarHBondContact O-N 3.46Å; L180-L183 CarbonylContact O-C 3.54Å; L180-L183 PolarHBondContact O-N 3.21Å; L183-L185 HydrophobicContact CD2-CD1 3.91Å; L183-L185 HydrophobicContact CG-CD1 4.28Å |
| 184 | G | 96.9 | Very high | 96.4 | Very high | 34 Ų | 34 | 23.9 Ų | 23.9 | 35% | 0.351 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90 | 16.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115 | L180 H181 E182 P188 | L180-G184 PolarHBondContact O-N 2.51Å; H181-G184 PolarHBondContact O-N 2.76Å; E182-G184 VanDerWaalsContact C-N 3.27Å; E182-G184 PolarHBondContact O-N 2.76Å; G184-P188 VanDerWaalsContact O-CD 3.31Å; G184-P188 WeakPolarHBondContact O-CD 3.4Å |
| 185 | L | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | trans | -93.4 | -2.3 | -175.8 | -68.7 | 171.7 | 0 | 0 | 0 | 114.4 | V96 Y97 L153 L180 L183 P188 L189 M190 | V96-L185 HydrophobicContact CG1-CD1 4.41Å; V96-L185 HydrophobicContact CG1-CD2 3.83Å; Y97-L185 HydrophobicContact CD1-CD2 3.63Å; Y97-L185 HydrophobicContact CD1-CG 4.37Å; Y97-L185 HydrophobicContact CE1-CD2 3.66Å; Y97-L185 HydrophobicContact CE1-CG 3.98Å; Y97-L185 HydrophobicContact CG-CD2 4.12Å; L153-L185 HydrophobicContact CD1-CD1 4.27Å; L180-L185 HydrophobicContact CB-CB 4.14Å; L180-L185 HydrophobicContact CD2-CD1 4.02Å; L180-L185 PolarHBondContact O-N 2.93Å; L183-L185 HydrophobicContact CD2-CD1 3.91Å; L183-L185 HydrophobicContact CG-CD1 4.28Å; L185-P188 HydrophobicContact CD2-CG 4.43Å; L185-L189 WeakPolarHBondContact O-CB 3.49Å; L185-L189 PolarHBondContact O-N 2.82Å; L185-L189 VanDerWaalsContact O-N 3.17Å; L185-M190 PolarHBondContact O-N 3.27Å; L185-M190 VanDerWaalsContact O-N 3.11Å | ||
| 186 | D | 96.4 | Very high | 97.1 | Very high | 20 Ų | 20 | 30 Ų | 30 | 11% | 0.107 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -61.9 | -56.1 | 177.8 | -85.6 | 11.5 | 0 | 0 | 0 | 111.5 | H181 M190 T191 H217 | H181-D186 WeakPolarHBondContact CA-OD1 3.37Å; H181-D186 HydrophobicContact CB-CB 4.49Å; H181-D186 VanDerWaalsContact CB-CG 3.43Å; H181-D186 WeakPolarHBondContact CB-OD2 3.39Å; H181-D186 PolarHBondContact N-OD1 3.01Å; D186-M190 CarbonylContact O-C 3.58Å; D186-M190 PolarHBondContact O-N 3.25Å; D186-M190 VanDerWaalsContact O-N 3.08Å; D186-T191 WeakPolarHBondContact O-CB 3.2Å; D186-T191 PolarHBondContact O-N 2.8Å; D186-T191 PolarHBondContact O-OG1 3.07Å; D186-H217 IonicContact OD1-NE2 3.31Å |
| 187 | E | 96.1 | Very high | 97.4 | Very high | 138 Ų | 138 | 26.4 Ų | 26.4 | 65% | 0.645 | 13% | 0.133 | S | C | * | . | I | π-helix | trans | -66.6 | -49.2 | -177.1 | -61.8 | -56.8 | 157.3 | 0 | 0 | 114.7 | P192 | E187-P192 WeakPolarHBondContact O-CD 3.15Å; E187-P192 WeakPolarHBondContact O-CG 3.34Å |
| 188 | P | 97.4 | Very high | 97.6 | Very high | 17 Ų | 17 | 26.2 Ų | 26.2 | 11% | 0.11 | 13% | 0.132 | C | C | . | . | I | π-helix | trans | -74.1 | -29.9 | -176.9 | 27.6 | -34.8 | 0 | 0 | 0 | 113.1 | Y97 L100 G184 L185 | Y97-P188 WeakPolarHBondContact O-CB 3.44Å; L100-P188 WeakPolarHBondContact CB-O 3.5Å; L100-P188 PolarHBondContact N-O 3.45Å; G184-P188 VanDerWaalsContact O-CD 3.31Å; G184-P188 WeakPolarHBondContact O-CD 3.4Å; L185-P188 HydrophobicContact CD2-CG 4.43Å |
| 189 | L | 98.1 | Very high | 97.6 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | I | π-helix | trans | -119.9 | -56.2 | -167.8 | -179.1 | 60.7 | 0 | 0 | 0 | 113.4 | L100 F149 L153 L185 L193 | L100-L189 HydrophobicContact CB-CD1 4.29Å; L100-L189 HydrophobicContact CD1-CD1 3.72Å; L100-L189 HydrophobicContact CD2-CD1 4.31Å; L100-L189 HydrophobicContact CG-CD1 4.32Å; F149-L189 HydrophobicContact CE1-CD1 4.16Å; F149-L189 HydrophobicContact CE1-CD2 4.5Å; F149-L189 HydrophobicContact CZ-CD1 3.57Å; F149-L189 HydrophobicContact CZ-CD2 4Å; F149-L189 HydrophobicContact CZ-CG 4.44Å; L153-L189 HydrophobicContact CD1-CD2 4.41Å; L185-L189 WeakPolarHBondContact O-CB 3.49Å; L185-L189 PolarHBondContact O-N 2.82Å; L185-L189 VanDerWaalsContact O-N 3.17Å; L189-L193 WeakPolarHBondContact O-CB 3.49Å; L189-L193 PolarHBondContact O-N 2.66Å; L189-L193 VanDerWaalsContact O-N 3.14Å |
| 190 | M | 98.2 | Very high | 97.7 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.015 | 15% | 0.148 | C | C | . | . | I | π-helix | trans | -78.8 | -39.2 | -170.3 | -62.7 | -72.6 | 99.7 | 0 | 0 | 114.3 | L180 L185 D186 L193 R194 H217 A219 L303 V305 | L180-M190 HydrophobicContact CD1-CE 4.09Å; L180-M190 HydrophobicContact CD1-CG 3.81Å; L180-M190 HydrophobicContact CD1-SD 3.71Å; L185-M190 PolarHBondContact O-N 3.27Å; L185-M190 VanDerWaalsContact O-N 3.11Å; D186-M190 CarbonylContact O-C 3.58Å; D186-M190 PolarHBondContact O-N 3.25Å; D186-M190 VanDerWaalsContact O-N 3.08Å; M190-L193 HydrophobicContact CE-CD2 3.71Å; M190-L193 PolarHBondContact O-N 2.73Å; M190-L193 HydrophobicContact SD-CD2 4.41Å; M190-R194 WeakPolarHBondContact O-CB 3.39Å; M190-R194 PolarHBondContact O-N 2.94Å; M190-H217 WeakPolarHBondContact CB-NE2 3.39Å; M190-A219 HydrophobicContact CB-CB 4.36Å; M190-A219 HydrophobicContact CG-CB 3.56Å; M190-A219 HydrophobicContact SD-CB 3.39Å; M190-A219 WeakPolarHBondContact SD-CB 3.23Å; M190-L303 HydrophobicContact CE-CD2 3.91Å; M190-L303 HydrophobicContact SD-CD1 4.36Å; M190-L303 HydrophobicContact SD-CD2 4.37Å; M190-V305 HydrophobicContact SD-CG2 3.82Å |
| 191 | T | 98.1 | Very high | 97.7 | Very high | 15 Ų | 15 | 29.3 Ų | 29.3 | 9% | 0.092 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.5 | -52.2 | 175.9 | -72.1 | 0 | 0 | 0 | 0 | 110.6 | D186 L193 R194 E195 H217 | D186-T191 WeakPolarHBondContact O-CB 3.2Å; D186-T191 PolarHBondContact O-N 2.8Å; D186-T191 PolarHBondContact O-OG1 3.07Å; T191-L193 VanDerWaalsContact C-N 3.35Å; T191-L193 PolarHBondContact O-N 3.16Å; T191-R194 PolarHBondContact O-N 3.06Å; T191-E195 HydrophobicContact CG2-CG 4.48Å; T191-E195 WeakPolarHBondContact O-CG 3.45Å; T191-E195 PolarHBondContact O-N 3.28Å; T191-H217 PolarHBondContact OG1-CE1 3.2Å |
| 192 | P | 98.3 | Very high | 97.8 | Very high | 23 Ų | 23 | 27.4 Ų | 27.4 | 15% | 0.149 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.2 | -40 | 174.9 | -25.4 | 35.5 | 0 | 0 | 0 | 113.1 | L100 E187 R194 E195 R196 | L100-P192 HydrophobicContact CB-CB 4.09Å; L100-P192 HydrophobicContact CD2-CB 4.26Å; E187-P192 WeakPolarHBondContact O-CD 3.15Å; E187-P192 WeakPolarHBondContact O-CG 3.34Å; P192-R194 PolarHBondContact O-N 3.12Å; P192-E195 PolarHBondContact O-N 3.36Å; P192-R196 VanDerWaalsContact O-CB 3.31Å; P192-R196 WeakPolarHBondContact O-CB 3.39Å; P192-R196 PolarHBondContact O-N 3.39Å |
| 193 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | I | π-helix | trans | -59.1 | -46.3 | 176.5 | -177.4 | 66 | 0 | 0 | 0 | 111.5 | L100 L105 F109 F145 L189 M190 T191 F197 L198 L243 | L100-L193 HydrophobicContact CD2-CB 3.92Å; L100-L193 HydrophobicContact CD2-CD1 4.3Å; L105-L193 HydrophobicContact CD2-CD1 4.12Å; F109-L193 HydrophobicContact CE1-CD1 3.86Å; F109-L193 HydrophobicContact CZ-CD1 4.36Å; F145-L193 HydrophobicContact CZ-CD2 3.91Å; L189-L193 WeakPolarHBondContact O-CB 3.49Å; L189-L193 PolarHBondContact O-N 2.66Å; L189-L193 VanDerWaalsContact O-N 3.14Å; M190-L193 HydrophobicContact CE-CD2 3.71Å; M190-L193 PolarHBondContact O-N 2.73Å; M190-L193 HydrophobicContact SD-CD2 4.41Å; T191-L193 VanDerWaalsContact C-N 3.35Å; T191-L193 PolarHBondContact O-N 3.16Å; L193-F197 HydrophobicContact CD1-CB 4.49Å; L193-F197 PolarHBondContact O-N 3.28Å; L193-L198 HydrophobicContact CD2-CD1 4.14Å; L193-L198 HydrophobicContact CG-CD1 3.79Å; L193-L198 HydrophobicContact CG-CG 4.19Å; L193-L198 PolarHBondContact O-N 2.76Å; L193-L243 HydrophobicContact CD2-CD2 4.5Å |
| 194 | R | 98.6 | Very high | 97.9 | Very high | 11 Ų | 11 | 30.3 Ų | 30.3 | 4% | 0.042 | 16% | 0.159 | C | C | . | . | I | π-helix | trans | -61.5 | -53.7 | 176.7 | 174.8 | -178.5 | 59.2 | 83.8 | 3.1 | 111.3 | M190 T191 P192 Q199 L214 H217 L307 | M190-R194 WeakPolarHBondContact O-CB 3.39Å; M190-R194 PolarHBondContact O-N 2.94Å; T191-R194 PolarHBondContact O-N 3.06Å; P192-R194 PolarHBondContact O-N 3.12Å; R194-Q199 VanDerWaalsContact O-CB 3.27Å; R194-Q199 WeakPolarHBondContact O-CB 3.12Å; R194-Q199 PolarHBondContact O-N 3.31Å; R194-L214 HydrophobicContact CG-CB 4.46Å; R194-L214 PolarHBondContact NH1-O 3.19Å; R194-H217 PolarHBondContact NE-ND1 3.11Å; R194-L307 HydrophobicContact CB-CD2 4.28Å; R194-L307 HydrophobicContact CG-CD2 3.98Å |
| 195 | E | 98 | Very high | 98 | Very high | 96 Ų | 96 | 28.7 Ų | 28.7 | 45% | 0.449 | 14% | 0.142 | S | C | . | . | I | π-helix | trans | -76 | -45.6 | -167.3 | -69.1 | -175.6 | 167.2 | 0 | 0 | 113.1 | T191 P192 | T191-E195 HydrophobicContact CG2-CG 4.48Å; T191-E195 WeakPolarHBondContact O-CG 3.45Å; T191-E195 PolarHBondContact O-N 3.28Å; P192-E195 PolarHBondContact O-N 3.36Å |
| 196 | R | 97.6 | Very high | 98 | Very high | 117 Ų | 117 | 28.7 Ų | 28.7 | 44% | 0.442 | 14% | 0.142 | S | C | . | . | I | π-helix | trans | -84 | -34.6 | -172.7 | -64.5 | 166.4 | 59 | -157.7 | -6 | 112.4 | L100 D102 P192 | L100-R196 PolarHBondContact O-NH1 2.96Å; D102-R196 IonicContact OD1-CZ 2.65Å; D102-R196 IonicContact OD1-NH2 2.78Å; D102-R196 PolarHBondContact OD1-NH2 2.82Å; P192-R196 VanDerWaalsContact O-CB 3.31Å; P192-R196 WeakPolarHBondContact O-CB 3.39Å; P192-R196 PolarHBondContact O-N 3.39Å |
| 197 | F | 98.2 | Very high | 98 | Very high | 12 Ų | 12 | 32 Ų | 32 | 5% | 0.053 | 17% | 0.165 | C | C | . | . | I | π-helix | trans | -117.2 | -53.7 | -167.8 | -54.4 | -79.6 | 0 | 0 | 0 | 112.8 | L100 L105 F109 L110 A113 L193 P200 L201 | L100-F197 HydrophobicContact CD2-CD2 4.32Å; L100-F197 HydrophobicContact CD2-CE2 4.06Å; L105-F197 HydrophobicContact CD1-CD1 3.74Å; L105-F197 HydrophobicContact CD1-CD2 3.71Å; L105-F197 HydrophobicContact CD1-CE1 3.48Å; L105-F197 VanDerWaalsContact CD1-CE1 3.48Å; L105-F197 HydrophobicContact CD1-CE2 3.43Å; L105-F197 VanDerWaalsContact CD1-CE2 3.43Å; L105-F197 HydrophobicContact CD1-CG 3.84Å; L105-F197 HydrophobicContact CD1-CZ 3.3Å; F109-F197 HydrophobicContact CD1-CB 4.38Å; F109-F197 HydrophobicContact CE1-CB 3.46Å; F109-F197 VanDerWaalsContact CE1-CB 3.46Å; F109-F197 HydrophobicContact CE1-CG 4.1Å; F109-F197 HydrophobicContact CZ-CB 3.83Å; L110-F197 HydrophobicContact CD2-CD1 4.16Å; L110-F197 HydrophobicContact CD2-CE1 3.49Å; L110-F197 VanDerWaalsContact CD2-CE1 3.49Å; L110-F197 HydrophobicContact CD2-CZ 4.2Å; A113-F197 HydrophobicContact CB-CB 4.33Å; A113-F197 HydrophobicContact CB-CD1 3.8Å; L193-F197 HydrophobicContact CD1-CB 4.49Å; L193-F197 PolarHBondContact O-N 3.28Å; F197-P200 WeakPolarHBondContact O-CD 3.19Å; F197-L201 VanDerWaalsContact O-CD1 3.27Å; F197-L201 WeakPolarHBondContact O-CD1 3.38Å |
| 198 | L | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | I | π-helix | trans | -71.5 | -46.6 | -174.8 | -66.3 | 168.9 | 0 | 0 | 0 | 112.6 | F109 L193 L201 M202 L243 L307 | F109-L198 HydrophobicContact CE2-CD2 4.15Å; F109-L198 HydrophobicContact CZ-CD2 3.7Å; F109-L198 HydrophobicContact CZ-CG 4.24Å; L193-L198 HydrophobicContact CD2-CD1 4.14Å; L193-L198 HydrophobicContact CG-CD1 3.79Å; L193-L198 HydrophobicContact CG-CG 4.19Å; L193-L198 PolarHBondContact O-N 2.76Å; L198-L201 WeakPolarHBondContact O-CB 3.46Å; L198-L201 PolarHBondContact O-N 3.21Å; L198-L201 VanDerWaalsContact O-N 3.13Å; L198-M202 HydrophobicContact CB-CE 4.32Å; L198-M202 HydrophobicContact CD2-CE 3.74Å; L198-M202 WeakPolarHBondContact O-CB 3.46Å; L198-M202 VanDerWaalsContact O-CG 3.24Å; L198-M202 WeakPolarHBondContact O-CG 3.45Å; L198-M202 PolarHBondContact O-N 3.28Å; L198-L243 HydrophobicContact CD1-CD2 3.9Å; L198-L243 HydrophobicContact CD2-CD2 3.92Å; L198-L307 HydrophobicContact CB-CD1 4.4Å; L198-L307 HydrophobicContact CD1-CD1 4.17Å; L198-L307 HydrophobicContact CD1-CD2 4.11Å |
| 199 | Q | 98.3 | Very high | 97.7 | Very high | 54 Ų | 54 | 30.7 Ų | 30.7 | 25% | 0.252 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -56.6 | -45 | -175.6 | 178.7 | 174.1 | -104.2 | 0 | 0 | 113.4 | R194 L201 M202 A203 L214 | R194-Q199 VanDerWaalsContact O-CB 3.27Å; R194-Q199 WeakPolarHBondContact O-CB 3.12Å; R194-Q199 PolarHBondContact O-N 3.31Å; Q199-L201 PolarHBondContact O-N 3.45Å; Q199-M202 PolarHBondContact O-N 3.17Å; Q199-A203 WeakPolarHBondContact O-CB 3.37Å; Q199-A203 PolarHBondContact O-N 2.89Å; Q199-L214 PolarHBondContact OE1-O 3.3Å |
| 200 | P | 97.9 | Very high | 97.5 | Very high | 20 Ų | 20 | 30.8 Ų | 30.8 | 13% | 0.13 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.3 | -46.2 | 173.4 | -28 | 36 | 0 | 0 | 0 | 114 | V117 F197 A203 | V117-P200 HydrophobicContact CG1-CB 3.61Å; V117-P200 HydrophobicContact CG1-CG 3.62Å; F197-P200 WeakPolarHBondContact O-CD 3.19Å; P200-A203 WeakPolarHBondContact O-CB 3.41Å; P200-A203 PolarHBondContact O-N 3.04Å |
| 201 | L | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.4 | -49.5 | 176.7 | -90.2 | 66 | 0 | 0 | 0 | 110.6 | F109 A112 A113 S116 L126 F197 L198 Q199 A203 L204 L205 | F109-L201 HydrophobicContact CD2-CD2 4.18Å; F109-L201 HydrophobicContact CE2-CD2 3.66Å; A112-L201 HydrophobicContact CB-CD1 4.35Å; A112-L201 HydrophobicContact CB-CD2 4.3Å; A113-L201 HydrophobicContact CB-CD1 3.82Å; S116-L201 WeakPolarHBondContact OG-CD1 3.46Å; L126-L201 HydrophobicContact CD1-CG 4.33Å; L126-L201 HydrophobicContact CD2-CG 4.45Å; F197-L201 VanDerWaalsContact O-CD1 3.27Å; F197-L201 WeakPolarHBondContact O-CD1 3.38Å; L198-L201 WeakPolarHBondContact O-CB 3.46Å; L198-L201 PolarHBondContact O-N 3.21Å; L198-L201 VanDerWaalsContact O-N 3.13Å; Q199-L201 PolarHBondContact O-N 3.45Å; L201-A203 VanDerWaalsContact C-N 3.26Å; L201-A203 PolarHBondContact O-N 3.19Å; L201-L204 PolarHBondContact O-N 3.49Å; L201-L205 WeakPolarHBondContact O-CG 3.28Å; L201-L205 PolarHBondContact O-N 3.15Å |
| 202 | M | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.7 | -31.1 | -177.2 | -65.3 | -40 | 148.1 | 0 | 0 | 112.4 | L198 Q199 L204 L205 Y206 G211 L214 L241 L283 L307 | L198-M202 HydrophobicContact CB-CE 4.32Å; L198-M202 HydrophobicContact CD2-CE 3.74Å; L198-M202 WeakPolarHBondContact O-CB 3.46Å; L198-M202 VanDerWaalsContact O-CG 3.24Å; L198-M202 WeakPolarHBondContact O-CG 3.45Å; L198-M202 PolarHBondContact O-N 3.28Å; Q199-M202 PolarHBondContact O-N 3.17Å; M202-L204 VanDerWaalsContact C-N 3.29Å; M202-L204 PolarHBondContact O-N 3.48Å; M202-L205 HydrophobicContact SD-CD1 4.47Å; M202-Y206 CarbonylContact O-C 3.59Å; M202-Y206 WeakPolarHBondContact O-CA 3.48Å; M202-Y206 PolarHBondContact O-N 2.68Å; M202-Y206 HydrophobicContact SD-CD2 3.72Å; M202-Y206 HydrophobicContact SD-CE2 3.66Å; M202-G211 WeakPolarHBondContact CB-O 3.46Å; M202-G211 WeakPolarHBondContact O-CA 3.23Å; M202-L214 HydrophobicContact CB-CD1 3.73Å; M202-L214 HydrophobicContact CG-CD1 3.69Å; M202-L241 HydrophobicContact CB-CD1 3.59Å; M202-L241 HydrophobicContact CG-CD1 3.7Å; M202-L241 HydrophobicContact SD-CD1 4.04Å; M202-L283 HydrophobicContact CE-CD1 3.77Å; M202-L283 HydrophobicContact CE-CD2 3.26Å; M202-L283 HydrophobicContact CE-CG 4.03Å; M202-L283 HydrophobicContact SD-CD2 4.44Å; M202-L307 HydrophobicContact CE-CD1 4.34Å; M202-L307 HydrophobicContact CG-CD1 4.29Å |
| 203 | A | 98.3 | Very high | 97.3 | Very high | 36 Ų | 36 | 36.7 Ų | 36.7 | 30% | 0.298 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.4 | -39.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q199 P200 L201 | Q199-A203 WeakPolarHBondContact O-CB 3.37Å; Q199-A203 PolarHBondContact O-N 2.89Å; P200-A203 WeakPolarHBondContact O-CB 3.41Å; P200-A203 PolarHBondContact O-N 3.04Å; L201-A203 VanDerWaalsContact C-N 3.26Å; L201-A203 PolarHBondContact O-N 3.19Å |
| 204 | L | 98.4 | Very high | 97.2 | Very high | 37 Ų | 37 | 36.7 Ų | 36.7 | 19% | 0.194 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -81.6 | -42.5 | 177.6 | -65.9 | 177.7 | 0 | 0 | 0 | 112 | A121 L126 L201 M202 | A121-L204 HydrophobicContact CB-CD1 4.1Å; L126-L204 HydrophobicContact CB-CD1 4.25Å; L126-L204 HydrophobicContact CD2-CB 3.74Å; L126-L204 HydrophobicContact CD2-CD1 4.03Å; L201-L204 PolarHBondContact O-N 3.49Å; M202-L204 VanDerWaalsContact C-N 3.29Å; M202-L204 PolarHBondContact O-N 3.48Å |
| 205 | L | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -71.5 | -36 | -177.7 | -66.9 | 176.3 | 0 | 0 | 0 | 113.2 | L123 L126 L127 L130 R138 Y140 L201 M202 L283 | L123-L205 HydrophobicContact CD1-CD2 3.88Å; L126-L205 HydrophobicContact CD2-CD1 4.45Å; L126-L205 HydrophobicContact CD2-CD2 3.88Å; L126-L205 HydrophobicContact CD2-CG 3.77Å; L126-L205 HydrophobicContact CG-CD2 4.42Å; L127-L205 HydrophobicContact CD2-CD2 3.99Å; L130-L205 HydrophobicContact CD1-CD1 3.86Å; L130-L205 HydrophobicContact CD1-CD2 3.9Å; L130-L205 HydrophobicContact CD1-CG 4.35Å; R138-L205 PolarHBondContact NH2-O 3.22Å; Y140-L205 HydrophobicContact CD1-CD2 4.46Å; Y140-L205 HydrophobicContact CD2-CD1 3.98Å; Y140-L205 HydrophobicContact CD2-CD2 3.91Å; Y140-L205 HydrophobicContact CD2-CG 4.38Å; Y140-L205 HydrophobicContact CE1-CD2 4.37Å; Y140-L205 HydrophobicContact CE2-CB 4.26Å; Y140-L205 HydrophobicContact CE2-CD1 4.44Å; Y140-L205 HydrophobicContact CE2-CD2 3.77Å; Y140-L205 HydrophobicContact CE2-CG 4.37Å; Y140-L205 HydrophobicContact CG-CD2 4.25Å; L201-L205 WeakPolarHBondContact O-CG 3.28Å; L201-L205 PolarHBondContact O-N 3.15Å; M202-L205 HydrophobicContact SD-CD1 4.47Å; L205-L283 HydrophobicContact CD1-CD1 3.88Å |
| 206 | Y | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -138.6 | 55.3 | -170 | -48.3 | -78.5 | 0 | 0 | 0 | 114.2 | R138 Y140 M202 D208 C209 G211 L241 L283 H284 R285 | R138-Y206 HydrophobicContact CB-CE1 4Å; R138-Y206 WeakPolarHBondContact O-CE1 3.38Å; R138-Y206 PolarHBondContact O-OH 2.7Å; Y140-Y206 AromaticContact CD2-CZ 3.94Å; Y140-Y206 VanDerWaalsContact CD2-OH 3.3Å; Y140-Y206 WeakPolarHBondContact CD2-OH 3.26Å; Y140-Y206 HydrophobicContact CE2-CE1 4.08Å; Y140-Y206 AromaticContact CE2-CZ 3.82Å; M202-Y206 CarbonylContact O-C 3.59Å; M202-Y206 WeakPolarHBondContact O-CA 3.48Å; M202-Y206 PolarHBondContact O-N 2.68Å; M202-Y206 HydrophobicContact SD-CD2 3.72Å; M202-Y206 HydrophobicContact SD-CE2 3.66Å; Y206-D208 PolarHBondContact O-N 3.31Å; Y206-C209 PolarHBondContact O-N 3.33Å; Y206-C209 VanDerWaalsContact O-N 3.09Å; Y206-G211 PolarHBondContact O-N 2.87Å; Y206-G211 VanDerWaalsContact O-N 3.14Å; Y206-L241 HydrophobicContact CD1-CD2 3.82Å; Y206-L241 HydrophobicContact CD2-CD1 3.7Å; Y206-L241 HydrophobicContact CD2-CD2 3.49Å; Y206-L241 VanDerWaalsContact CD2-CD2 3.49Å; Y206-L241 HydrophobicContact CD2-CG 4.22Å; Y206-L241 HydrophobicContact CE1-CD2 4.31Å; Y206-L241 HydrophobicContact CE2-CD2 4.01Å; Y206-L241 HydrophobicContact CG-CD1 4.06Å; Y206-L241 HydrophobicContact CG-CD2 3.36Å; Y206-L241 HydrophobicContact CG-CG 4.38Å; Y206-L283 PolarHBondContact OH-O 2.98Å; Y206-L283 VanDerWaalsContact OH-O 3.13Å; Y206-H284 WeakPolarHBondContact OH-CA 3.41Å; Y206-H284 PolarHBondContact OH-N 3.34Å; Y206-R285 HydrophobicContact CD1-CG 3.91Å; Y206-R285 HydrophobicContact CE1-CG 3.91Å | ||
| 207 | P | 96.6 | Very high | 97.2 | Very high | 89 Ų | 89 | 27.9 Ų | 27.9 | 58% | 0.578 | 16% | 0.159 | S | C | * | . | G | 310 helix | trans | -61.1 | -30.9 | -178.5 | 25.5 | -35 | 0 | 0 | 0 | 112.7 | ||
| 208 | D | 94.6 | Very high | 97.2 | Very high | 106 Ų | 106 | 30 Ų | 30 | 57% | 0.567 | 17% | 0.167 | S | C | * | . | G | 310 helix | trans | -79 | -15.1 | 179.4 | 58 | -45 | 0 | 0 | 0 | 114.1 | R138 Y206 | R138-D208 IonicContact CZ-OD1 3.77Å; R138-D208 VanDerWaalsContact CZ-OD1 3.3Å; R138-D208 IonicContact CZ-OD2 2.81Å; R138-D208 VanDerWaalsContact NH1-CG 3.27Å; R138-D208 IonicContact NH1-OD1 2.74Å; R138-D208 PolarHBondContact NH1-OD1 3.11Å; R138-D208 IonicContact NH1-OD2 3.62Å; R138-D208 PolarHBondContact NH1-OD2 2.97Å; R138-D208 IonicContact NH2-OD1 2.76Å; R138-D208 PolarHBondContact NH2-OD1 2.92Å; Y206-D208 PolarHBondContact O-N 3.31Å |
| 209 | C | 92.1 | Very high | 97.2 | Very high | 23 Ų | 23 | 30 Ų | 30 | 16% | 0.155 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -106.5 | 11.2 | 179.9 | -52.1 | 0 | 0 | 0 | 0 | 112.9 | Y206 E240 L241 | Y206-C209 PolarHBondContact O-N 3.33Å; Y206-C209 VanDerWaalsContact O-N 3.09Å; C209-E240 WeakPolarHBondContact O-CB 3.4Å; C209-E240 WeakPolarHBondContact O-CG 3.21Å; C209-L241 HydrophobicContact CB-CD2 4.04Å |
| 210 | G | 94.1 | Very high | 97.2 | Very high | 3 Ų | 3 | 27.5 Ų | 27.5 | 3% | 0.031 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81 | 19.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | G212 R213 | G210-G212 PolarHBondContact O-N 3.5Å; G210-G212 VanDerWaalsContact O-N 3.09Å; G210-R213 CarbonylContact O-C 3.52Å; G210-R213 PolarHBondContact O-N 3.16Å |
| 211 | G | 96.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -57.4 | -25.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | M202 Y206 R213 L214 | M202-G211 WeakPolarHBondContact CB-O 3.46Å; M202-G211 WeakPolarHBondContact O-CA 3.23Å; Y206-G211 PolarHBondContact O-N 2.87Å; Y206-G211 VanDerWaalsContact O-N 3.14Å; G211-R213 VanDerWaalsContact C-N 3.34Å; G211-L214 WeakPolarHBondContact O-CD1 3.15Å; G211-L214 WeakPolarHBondContact O-CG 3.44Å |
| 212 | G | 96.5 | Very high | 97.1 | Very high | 38 Ų | 38 | 26.8 Ų | 26.8 | 39% | 0.392 | 15% | 0.15 | S | C | . | . | G | 310 helix | trans | -87.5 | 7.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | G210 | G210-G212 PolarHBondContact O-N 3.5Å; G210-G212 VanDerWaalsContact O-N 3.09Å |
| 213 | R | 96.8 | Very high | 97 | Very high | 127 Ų | 127 | 28.2 Ų | 28.2 | 48% | 0.479 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -138.7 | 37.9 | -177 | -62.7 | -176.2 | -66.5 | -149.5 | -4.2 | 111.4 | G210 G211 D215 A309 A311 | G210-R213 CarbonylContact O-C 3.52Å; G210-R213 PolarHBondContact O-N 3.16Å; G211-R213 VanDerWaalsContact C-N 3.34Å; R213-D215 PolarHBondContact O-N 2.89Å; R213-A309 VanDerWaalsContact O-CA 3.29Å; R213-A309 WeakPolarHBondContact O-CA 3.44Å; R213-A309 WeakPolarHBondContact O-CB 3.32Å; R213-A311 HydrophobicContact CB-CB 4.47Å |
| 214 | L | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -80 | 99.7 | -179.2 | -63.4 | 172.1 | 0 | 0 | 0 | 108.6 | R194 Q199 M202 G211 L241 L307 R308 A309 | R194-L214 HydrophobicContact CG-CB 4.46Å; R194-L214 PolarHBondContact NH1-O 3.19Å; Q199-L214 PolarHBondContact OE1-O 3.3Å; M202-L214 HydrophobicContact CB-CD1 3.73Å; M202-L214 HydrophobicContact CG-CD1 3.69Å; G211-L214 WeakPolarHBondContact O-CD1 3.15Å; G211-L214 WeakPolarHBondContact O-CG 3.44Å; L214-L241 HydrophobicContact CD1-CD1 4.26Å; L214-L241 HydrophobicContact CD2-CD1 4.32Å; L214-L307 HydrophobicContact CD1-CB 3.96Å; L214-L307 HydrophobicContact CD1-CD1 4.07Å; L214-L307 HydrophobicContact CD1-CG 4.44Å; L214-L307 HydrophobicContact CD2-CB 3.91Å; L214-L307 HydrophobicContact CG-CB 4.42Å; L214-R308 CarbonylContact C-O 3.6Å; L214-R308 VanDerWaalsContact CA-O 3.27Å; L214-R308 WeakPolarHBondContact CA-O 3.41Å; L214-A309 HydrophobicContact CD2-CB 4.26Å | ||
| 215 | D | 97.4 | Very high | 96.8 | Very high | 36 Ų | 36 | 25.6 Ų | 25.6 | 19% | 0.193 | 14% | 0.139 | C | C | . | . | trans | -106.4 | -5 | -171.4 | 55.6 | 12.1 | 0 | 0 | 0 | 114.1 | F10 R213 R308 S310 | F10-D215 WeakPolarHBondContact CZ-O 3.37Å; R213-D215 PolarHBondContact O-N 2.89Å; D215-R308 PolarHBondContact N-O 3.43Å; D215-S310 PolarHBondContact OD1-N 2.75Å; D215-S310 WeakPolarHBondContact OD2-CB 3.31Å; D215-S310 PolarHBondContact OD2-N 2.95Å; D215-S310 PolarHBondContact OD2-OG 3.21Å | ||
| 216 | S | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 163.9 | 176.7 | 47.7 | 0 | 0 | 0 | 0 | 111.5 | R308 G335 | S216-R308 PolarHBondContact N-O 3.46Å; S216-R308 PolarHBondContact O-N 3.18Å; S216-R308 VanDerWaalsContact OG-CB 3.29Å; S216-R308 WeakPolarHBondContact OG-CB 3.5Å; S216-G335 VanDerWaalsContact OG-CA 3.23Å; S216-G335 WeakPolarHBondContact OG-CA 3.35Å |
| 217 | H | 98.2 | Very high | 96.2 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.019 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 165 | 175.1 | 56.8 | -79.3 | 0 | 0 | 0 | 112.2 | D186 M190 T191 R194 V305 W306 L307 F332 | D186-H217 IonicContact OD1-NE2 3.31Å; M190-H217 WeakPolarHBondContact CB-NE2 3.39Å; T191-H217 PolarHBondContact OG1-CE1 3.2Å; R194-H217 PolarHBondContact NE-ND1 3.11Å; H217-V305 HydrophobicContact CB-CG1 4.13Å; H217-W306 CarbonylContact C-O 3.48Å; H217-W306 WeakPolarHBondContact CA-O 3.25Å; H217-W306 WeakPolarHBondContact CB-O 3.5Å; H217-L307 HydrophobicContact CB-CD2 4.39Å; H217-F332 AromaticContact CE1-CD2 3.96Å; H217-F332 AromaticContact CE1-CE2 3.35Å; H217-F332 WeakPolarHBondContact CE1-CE2 3.32Å; H217-F332 AromaticContact ND1-CD2 3.98Å; H217-F332 AromaticContact ND1-CE2 3.62Å |
| 218 | R | 97.6 | Very high | 96.1 | Very high | 55 Ų | 55 | 33.7 Ų | 33.7 | 21% | 0.208 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 114.7 | 162.7 | -176.6 | 171.4 | -173.6 | -97.7 | -4.5 | 107.5 | P170 F220 W306 | P170-R218 PolarHBondContact O-NH1 3.06Å; P170-R218 PolarHBondContact O-NH2 2.79Å; R218-F220 HydrophobicContact CG-CD1 4.27Å; R218-W306 HydrophobicContact CB-CB 4.27Å; R218-W306 HydrophobicContact CB-CE3 4.36Å; R218-W306 PolarHBondContact N-O 3.22Å; R218-W306 PolarHBondContact O-N 2.98Å |
| 219 | A | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 132.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | L180 M190 V304 V305 | L180-A219 HydrophobicContact CB-CB 4.14Å; L180-A219 HydrophobicContact CD1-CB 3.91Å; L180-A219 HydrophobicContact CG-CB 4.19Å; L180-A219 PolarHBondContact N-O 2.74Å; L180-A219 VanDerWaalsContact N-O 3.11Å; M190-A219 HydrophobicContact CB-CB 4.36Å; M190-A219 HydrophobicContact CG-CB 3.56Å; M190-A219 HydrophobicContact SD-CB 3.39Å; M190-A219 WeakPolarHBondContact SD-CB 3.23Å; A219-V304 WeakPolarHBondContact CA-O 3.44Å; A219-V305 HydrophobicContact CB-CG1 4.34Å; A219-V305 HydrophobicContact CB-CG2 4.18Å |
| 220 | F | 98.3 | Very high | 96.2 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 1% | 0.013 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 155 | -178.7 | 57.3 | -89.5 | 0 | 0 | 0 | 110.4 | P170 V178 L179 R218 V222 V304 W306 | P170-F220 HydrophobicContact CB-CB 4.13Å; P170-F220 HydrophobicContact CB-CD2 3.66Å; P170-F220 HydrophobicContact CB-CE2 4.44Å; P170-F220 HydrophobicContact CB-CG 4.14Å; V178-F220 CarbonylContact O-C 3.54Å; V178-F220 WeakPolarHBondContact O-CA 3.45Å; V178-F220 WeakPolarHBondContact O-CB 3.2Å; L179-F220 HydrophobicContact CD2-CB 3.97Å; R218-F220 HydrophobicContact CG-CD1 4.27Å; F220-V222 HydrophobicContact CD2-CG1 3.84Å; F220-V222 HydrophobicContact CE2-CG1 3.8Å; F220-V304 HydrophobicContact CD2-CB 4.14Å; F220-V304 HydrophobicContact CE1-CB 4.35Å; F220-V304 HydrophobicContact CE1-CG1 4.17Å; F220-V304 HydrophobicContact CE2-CB 3.67Å; F220-V304 HydrophobicContact CE2-CG1 4Å; F220-V304 HydrophobicContact CE2-CG2 4.12Å; F220-V304 HydrophobicContact CZ-CB 3.8Å; F220-V304 HydrophobicContact CZ-CG1 3.62Å; F220-V304 PolarHBondContact N-O 2.94Å; F220-V304 PolarHBondContact O-N 3.43Å; F220-V304 VanDerWaalsContact O-O 3.11Å; F220-W306 AromaticContact CE1-CD2 3.8Å; F220-W306 HydrophobicContact CE1-CD2 3.8Å; F220-W306 AromaticContact CE1-CE2 3.69Å; F220-W306 HydrophobicContact CE1-CE3 4.28Å; F220-W306 HydrophobicContact CE1-CG 4.14Å; F220-W306 HydrophobicContact CE1-CZ2 4.09Å; F220-W306 AromaticContact CE1-NE1 3.94Å; F220-W306 HydrophobicContact CZ-CD2 4.29Å; F220-W306 AromaticContact CZ-CE2 3.69Å; F220-W306 AromaticContact CZ-CZ2 3.87Å; F220-W306 HydrophobicContact CZ-CZ2 3.87Å; F220-W306 AromaticContact CZ-NE1 3.77Å |
| 221 | V | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 137.5 | 174.2 | 179.7 | 0 | 0 | 0 | 0 | 108.5 | L157 P170 G177 V178 L180 L247 W301 N302 L303 | L157-V221 HydrophobicContact CD1-CB 4.4Å; L157-V221 HydrophobicContact CD1-CG1 4.28Å; L157-V221 HydrophobicContact CD1-CG2 3.74Å; L157-V221 HydrophobicContact CD2-CG2 4.17Å; P170-V221 WeakPolarHBondContact CG-O 3.16Å; G177-V221 CarbonylContact C-O 3.46Å; G177-V221 WeakPolarHBondContact CA-O 3.1Å; V178-V221 PolarHBondContact N-O 3.06Å; V178-V221 PolarHBondContact O-N 2.93Å; L180-V221 HydrophobicContact CD2-CG2 4.03Å; V221-L247 HydrophobicContact CG1-CD1 4.33Å; V221-L247 HydrophobicContact CG2-CD1 4.17Å; V221-W301 HydrophobicContact CG1-CB 4.47Å; V221-W301 HydrophobicContact CG1-CD2 4.49Å; V221-W301 HydrophobicContact CG1-CE3 3.54Å; V221-W301 HydrophobicContact CG1-CZ3 4.25Å; V221-N302 CarbonylContact C-O 3.48Å; V221-N302 VanDerWaalsContact CA-O 3.27Å; V221-N302 WeakPolarHBondContact CA-O 3.15Å; V221-L303 HydrophobicContact CG2-CB 4.32Å; V221-L303 HydrophobicContact CG2-CD1 4.08Å |
| 222 | V | 97 | Very high | 96.1 | Very high | 5 Ų | 5 | 37.9 Ų | 37.9 | 3% | 0.03 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 138.5 | 172.1 | -68.2 | 0 | 0 | 0 | 0 | 109.5 | P170 N174 F220 Y224 W301 N302 V304 | P170-V222 HydrophobicContact CB-CG1 4.16Å; N174-V222 HydrophobicContact CB-CG1 4.16Å; N174-V222 WeakPolarHBondContact OD1-CG1 3.13Å; F220-V222 HydrophobicContact CD2-CG1 3.84Å; F220-V222 HydrophobicContact CE2-CG1 3.8Å; V222-Y224 HydrophobicContact CB-CE2 3.9Å; V222-Y224 HydrophobicContact CG2-CD2 4.49Å; V222-Y224 HydrophobicContact CG2-CE2 3.66Å; V222-W301 WeakPolarHBondContact O-CA 3.38Å; V222-N302 HydrophobicContact CG2-CB 3.88Å; V222-N302 PolarHBondContact N-O 2.92Å; V222-N302 PolarHBondContact O-N 3.45Å; V222-V304 HydrophobicContact CG2-CG2 4.18Å |
| 223 | K | 95.6 | Very high | 95.9 | Very high | 31 Ų | 31 | 37.8 Ų | 37.8 | 14% | 0.135 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 131.2 | 178.8 | 175.9 | -177.8 | 173.1 | 138.6 | 0 | 110.1 | Y176 E299 R300 W301 | Y176-K223 PolarHBondContact O-N 3.47Å; Y176-K223 VanDerWaalsContact O-N 3.15Å; K223-E299 WeakPolarHBondContact CE-OE1 3.44Å; K223-E299 IonicContact NZ-OE1 2.93Å; K223-E299 PolarHBondContact NZ-OE1 2.99Å; K223-R300 WeakPolarHBondContact CA-O 3.21Å; K223-W301 HydrophobicContact CB-CD2 4.32Å; K223-W301 HydrophobicContact CB-CE3 4.48Å; K223-W301 HydrophobicContact CD-CH2 4.04Å; K223-W301 HydrophobicContact CD-CZ2 3.54Å; K223-W301 HydrophobicContact CG-CD2 4.37Å; K223-W301 HydrophobicContact CG-CZ2 4.09Å |
| 224 | Y | 96.3 | Very high | 95.7 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 130.8 | 171.8 | -61.2 | -97.9 | 0 | 0 | 0 | 109.1 | N174 V222 D229 E299 R300 | N174-Y224 PolarHBondContact ND2-OH 2.95Å; N174-Y224 VanDerWaalsContact ND2-OH 3.07Å; V222-Y224 HydrophobicContact CB-CE2 3.9Å; V222-Y224 HydrophobicContact CG2-CD2 4.49Å; V222-Y224 HydrophobicContact CG2-CE2 3.66Å; Y224-D229 VanDerWaalsContact CA-O 3.26Å; Y224-D229 WeakPolarHBondContact CA-O 3.37Å; Y224-D229 WeakPolarHBondContact CB-O 3.41Å; Y224-D229 HydrophobicContact CD1-CB 4.06Å; Y224-D229 WeakPolarHBondContact CD1-O 3.23Å; Y224-D229 HydrophobicContact CE1-CB 4.2Å; Y224-E299 WeakPolarHBondContact O-CA 3.33Å; Y224-R300 PolarHBondContact N-O 3.18Å; Y224-R300 PolarHBondContact O-N 3.24Å |
| 225 | A | 95.8 | Very high | 95.6 | Very high | 13 Ų | 13 | 35.8 Ų | 35.8 | 11% | 0.107 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 160.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | G227 Q228 D229 L230 E299 | A225-G227 PolarHBondContact O-N 3.03Å; A225-Q228 HydrophobicContact CB-CB 4.35Å; A225-Q228 HydrophobicContact CB-CG 4.4Å; A225-Q228 WeakPolarHBondContact O-CB 3.37Å; A225-Q228 PolarHBondContact O-N 2.92Å; A225-D229 PolarHBondContact N-O 2.96Å; A225-L230 WeakPolarHBondContact O-CD2 3.35Å; A225-E299 HydrophobicContact CB-CG 4.28Å |
| 226 | L | 92.8 | Very high | 95.4 | Very high | 120 Ų | 120 | 36.9 Ų | 36.9 | 63% | 0.628 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 130.6 | 173.6 | -64.4 | 177.3 | 0 | 0 | 0 | 111 | Q228 L230 | L226-Q228 VanDerWaalsContact C-N 3.27Å; L226-L230 HydrophobicContact CD2-CD2 4.23Å |
| 227 | G | 92.3 | Very high | 95.4 | Very high | 78 Ų | 78 | 37.1 Ų | 37.1 | 80% | 0.804 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.5 | 2.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | A225 | A225-G227 PolarHBondContact O-N 3.03Š|
| 228 | Q | 93.7 | Very high | 95.3 | Very high | 61 Ų | 61 | 37.9 Ų | 37.9 | 29% | 0.285 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -120.8 | -152.3 | 173.9 | -63.2 | -170.4 | -18.7 | 0 | 0 | 109.8 | Y176 A225 L226 L230 | Y176-Q228 HydrophobicContact CD1-CG 4.3Å; Y176-Q228 HydrophobicContact CD2-CB 3.66Å; Y176-Q228 HydrophobicContact CD2-CG 4.14Å; Y176-Q228 HydrophobicContact CE1-CG 4.07Å; Y176-Q228 HydrophobicContact CE2-CB 3.58Å; Y176-Q228 HydrophobicContact CE2-CG 3.91Å; Y176-Q228 HydrophobicContact CG-CB 4.22Å; Y176-Q228 HydrophobicContact CG-CG 4.32Å; A225-Q228 HydrophobicContact CB-CB 4.35Å; A225-Q228 HydrophobicContact CB-CG 4.4Å; A225-Q228 WeakPolarHBondContact O-CB 3.37Å; A225-Q228 PolarHBondContact O-N 2.92Å; L226-Q228 VanDerWaalsContact C-N 3.27Å; Q228-L230 PolarHBondContact O-N 3.06Å |
| 229 | D | 93.2 | Very high | 95.3 | Very high | 20 Ų | 20 | 35.6 Ų | 35.6 | 11% | 0.107 | 21% | 0.21 | C | C | . | . | trans | -64.7 | 132.7 | 170.8 | -64.4 | -19.9 | 0 | 0 | 0 | 109.8 | N174 N175 Y176 Y224 A225 | N174-D229 WeakPolarHBondContact CA-OD2 3.3Å; N174-D229 PolarHBondContact ND2-OD2 2.9Å; N175-D229 PolarHBondContact N-OD2 3.01Å; N175-D229 PolarHBondContact ND2-OD1 3.15Å; Y176-D229 HydrophobicContact CD2-CB 4.45Å; Y224-D229 VanDerWaalsContact CA-O 3.26Å; Y224-D229 WeakPolarHBondContact CA-O 3.37Å; Y224-D229 WeakPolarHBondContact CB-O 3.41Å; Y224-D229 HydrophobicContact CD1-CB 4.06Å; Y224-D229 WeakPolarHBondContact CD1-O 3.23Å; Y224-D229 HydrophobicContact CE1-CB 4.2Å; A225-D229 PolarHBondContact N-O 2.96Å | ||
| 230 | L | 95.2 | Very high | 95.2 | Very high | 68 Ų | 68 | 36.5 Ų | 36.5 | 36% | 0.356 | 21% | 0.214 | S | C | . | . | trans | -111.1 | -27.8 | 178.4 | -65.1 | 179 | 0 | 0 | 0 | 113.1 | A225 L226 Q228 P294 L295 | A225-L230 WeakPolarHBondContact O-CD2 3.35Å; L226-L230 HydrophobicContact CD2-CD2 4.23Å; Q228-L230 PolarHBondContact O-N 3.06Å; L230-P294 CarbonylContact O-C 3.58Å; L230-P294 WeakPolarHBondContact O-CA 3.38Å; L230-L295 HydrophobicContact CD2-CB 4.35Å; L230-L295 PolarHBondContact O-N 3.49Å | ||
| 231 | E | 94.9 | Very high | 95.3 | Very high | 117 Ų | 117 | 36.3 Ų | 36.3 | 55% | 0.547 | 21% | 0.213 | S | C | . | . | trans | -145.9 | 172.8 | -176.5 | 64.6 | 176.2 | -174 | 0 | 0 | 110.2 | A292 P294 | E231-A292 WeakPolarHBondContact CB-O 3.39Å; E231-P294 HydrophobicContact CB-CG 4.26Å; E231-P294 WeakPolarHBondContact OE2-CG 3.34Å | ||
| 232 | L | 94.3 | Very high | 95.3 | Very high | 16 Ų | 16 | 36.4 Ų | 36.4 | 8% | 0.084 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 122.2 | 173 | -163.7 | 63.7 | 0 | 0 | 0 | 109.6 | M173 H235 Y257 G291 A292 | M173-L232 HydrophobicContact CB-CD1 3.47Å; M173-L232 VanDerWaalsContact CB-CD1 3.47Å; M173-L232 HydrophobicContact CE-CD1 4.27Å; M173-L232 HydrophobicContact CE-CG 4.47Å; L232-H235 WeakPolarHBondContact CD2-CE1 3.03Å; L232-Y257 PolarHBondContact O-OH 2.79Å; L232-G291 WeakPolarHBondContact O-CA 3.39Å; L232-A292 HydrophobicContact CB-CB 3.94Å; L232-A292 PolarHBondContact N-O 3.22Å; L232-A292 VanDerWaalsContact N-O 3.07Å; L232-A292 PolarHBondContact O-N 3.45Å |
| 233 | G | 92.8 | Very high | 95.4 | Very high | 36 Ų | 36 | 36.2 Ų | 36.2 | 37% | 0.371 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 161.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | M173 H235 | M173-G233 WeakPolarHBondContact CE-O 3.44Å; G233-H235 PolarHBondContact O-N 3.17Å; G233-H235 PolarHBondContact O-ND1 3.04Å |
| 234 | C | 93.1 | Very high | 95.5 | Very high | 52 Ų | 52 | 35.3 Ų | 35.3 | 35% | 0.351 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 131.5 | -176.9 | -173.2 | 0 | 0 | 0 | 0 | 111.4 | Y257 L268 H290 | C234-Y257 WeakPolarHBondContact CA-OH 3.45Å; C234-Y257 HydrophobicContact CB-CE2 4.17Å; C234-Y257 WeakPolarHBondContact CB-OH 3.23Å; C234-Y257 PolarHBondContact N-OH 2.81Å; C234-L268 HydrophobicContact CB-CD1 4.19Å; C234-L268 WeakPolarHBondContact SG-CD1 3.48Å; C234-H290 CarbonylContact C-O 3.34Å; C234-H290 WeakPolarHBondContact CA-O 3.26Å |
| 235 | H | 94.1 | Very high | 95.6 | Very high | 32 Ų | 32 | 35.1 Ų | 35.1 | 15% | 0.148 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | -179.6 | -179.6 | 61.7 | -72.5 | 0 | 0 | 0 | 110.3 | M173 L232 G233 D237 L289 H290 | M173-H235 HydrophobicContact CE-CB 4.4Å; M173-H235 HydrophobicContact SD-CB 3.77Å; L232-H235 WeakPolarHBondContact CD2-CE1 3.03Å; G233-H235 PolarHBondContact O-N 3.17Å; G233-H235 PolarHBondContact O-ND1 3.04Å; H235-D237 IonicContact NE2-OD1 2.73Å; H235-L289 CarbonylContact O-C 3.46Å; H235-L289 VanDerWaalsContact O-CA 3.31Å; H235-L289 WeakPolarHBondContact O-CA 3.33Å; H235-H290 AromaticContact CE1-NE2 3.88Å; H235-H290 PolarHBondContact N-O 3.4Å; H235-H290 PolarHBondContact ND1-O 3.1Å; H235-H290 AromaticContact NE2-CE1 3.78Å; H235-H290 AromaticContact NE2-NE2 3.48Å; H235-H290 PolarHBondContact NE2-NE2 3.07Å; H235-H290 PolarHBondContact O-N 3.4Å |
| 236 | Y | 94.7 | Very high | 95.7 | Very high | 60 Ų | 60 | 34.6 Ų | 34.6 | 24% | 0.235 | 20% | 0.204 | C | C | . | . | trans | -126.7 | 159.1 | 162.9 | 66.3 | -88.5 | 0 | 0 | 0 | 107.9 | F262 L289 P318 M319 | Y236-F262 HydrophobicContact CD1-CB 3.82Å; Y236-F262 HydrophobicContact CD1-CD1 4.34Å; Y236-F262 HydrophobicContact CD1-CG 4.08Å; Y236-F262 HydrophobicContact CD2-CD1 4.02Å; Y236-F262 HydrophobicContact CD2-CE1 4.3Å; Y236-F262 HydrophobicContact CE1-CB 4.39Å; Y236-F262 HydrophobicContact CE1-CG 4.35Å; Y236-F262 HydrophobicContact CE2-CD1 4.47Å; Y236-F262 HydrophobicContact CE2-CE1 4.48Å; Y236-F262 HydrophobicContact CG-CB 4.13Å; Y236-F262 AromaticContact CG-CD1 3.97Å; Y236-F262 HydrophobicContact CG-CD1 3.97Å; Y236-F262 HydrophobicContact CG-CG 4.17Å; Y236-L289 HydrophobicContact CD1-CD2 4.45Å; Y236-P318 PolarHBondContact OH-O 3.47Å; Y236-M319 HydrophobicContact CE2-SD 4.18Å | ||
| 237 | D | 96.7 | Very high | 95.9 | Very high | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.027 | 17% | 0.174 | C | C | . | . | trans | -85.6 | 144.4 | -179.9 | -65.6 | -44.2 | 0 | 0 | 0 | 111.6 | H235 A239 T242 H284 G286 H290 W306 | H235-D237 IonicContact NE2-OD1 2.73Å; D237-A239 HydrophobicContact CB-CB 3.98Å; D237-A239 PolarHBondContact O-N 3.34Å; D237-T242 WeakPolarHBondContact OD2-CB 3.49Å; D237-T242 WeakPolarHBondContact OD2-CG2 3.4Å; D237-T242 PolarHBondContact OD2-OG1 2.92Å; D237-H284 IonicContact OD2-CE1 2.87Å; D237-H284 PolarHBondContact OD2-CE1 3.13Å; D237-H284 VanDerWaalsContact OD2-CE1 3.29Å; D237-G286 PolarHBondContact N-O 2.97Å; D237-H290 IonicContact OD1-CE1 3.29Å; D237-H290 IonicContact OD1-NE2 2.82Å; D237-H290 IonicContact OD2-CE1 2.93Å; D237-H290 PolarHBondContact OD2-CE1 3.29Å; D237-H290 VanDerWaalsContact OD2-CE1 3.31Å; D237-H290 IonicContact OD2-NE2 2.79Å; D237-W306 HydrophobicContact CB-CD2 4.5Å; D237-W306 HydrophobicContact CB-CZ2 4.4Å; D237-W306 PolarHBondContact OD1-NE1 2.85Å | ||
| 238 | N | 95.9 | Very high | 95.9 | Very high | 19 Ų | 19 | 25.6 Ų | 25.6 | 10% | 0.102 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -77.6 | 57 | 169.1 | -175.4 | 17.1 | 0 | 0 | 0 | 111.1 | W306 R308 M319 D334 | N238-W306 HydrophobicContact CB-CE3 4.4Å; N238-W306 HydrophobicContact CB-CZ3 4.08Å; N238-R308 PolarHBondContact ND2-NH2 2.77Å; N238-R308 PolarHBondContact O-NE 2.92Å; N238-R308 PolarHBondContact O-NH2 3.01Å; N238-M319 HydrophobicContact CB-SD 3.96Å; N238-D334 PolarHBondContact ND2-OD1 3.49Å |
| 239 | A | 97.4 | Very high | 95.8 | Very high | 7 Ų | 7 | 26.2 Ų | 26.2 | 6% | 0.058 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -145.1 | 155.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | D237 L241 G286 W306 | D237-A239 HydrophobicContact CB-CB 3.98Å; D237-A239 PolarHBondContact O-N 3.34Å; A239-L241 WeakPolarHBondContact CB-O 3.27Å; A239-G286 WeakPolarHBondContact O-CA 3.31Å; A239-W306 HydrophobicContact CB-CB 3.7Å; A239-W306 HydrophobicContact CB-CG 3.96Å |
| 240 | E | 97.9 | Very high | 95.9 | Very high | 19 Ų | 19 | 31.6 Ų | 31.6 | 9% | 0.089 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -75.5 | -43.1 | 165.4 | -83.1 | 67.8 | -128.6 | 0 | 0 | 109.6 | C209 G286 L307 R308 A309 V312 R313 | C209-E240 WeakPolarHBondContact O-CB 3.4Å; C209-E240 WeakPolarHBondContact O-CG 3.21Å; E240-G286 PolarHBondContact O-N 2.94Å; E240-L307 PolarHBondContact N-O 2.99Å; E240-R308 WeakPolarHBondContact OE2-CA 3.36Å; E240-A309 HydrophobicContact CG-CB 4.29Å; E240-A309 PolarHBondContact OE2-N 3.24Å; E240-V312 HydrophobicContact CG-CB 4.04Å; E240-V312 HydrophobicContact CG-CG1 4.03Å; E240-V312 HydrophobicContact CG-CG2 4.32Å; E240-R313 IonicContact OE1-CZ 3.84Å; E240-R313 IonicContact OE1-NE 3.57Å; E240-R313 PolarHBondContact OE1-NE 3.27Å; E240-R313 IonicContact OE1-NH2 3.91Å; E240-R313 PolarHBondContact OE1-NH2 3.41Å; E240-R313 IonicContact OE2-CZ 3.73Å; E240-R313 VanDerWaalsContact OE2-CZ 3.26Å; E240-R313 IonicContact OE2-NE 2.79Å; E240-R313 PolarHBondContact OE2-NE 2.79Å; E240-R313 IonicContact OE2-NH2 3.72Å; E240-R313 PolarHBondContact OE2-NH2 3.03Å |
| 241 | L | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 152.7 | -177.6 | -59.1 | 173 | 0 | 0 | 0 | 110.2 | M202 Y206 C209 L214 A239 H284 R285 L307 | M202-L241 HydrophobicContact CB-CD1 3.59Å; M202-L241 HydrophobicContact CG-CD1 3.7Å; M202-L241 HydrophobicContact SD-CD1 4.04Å; Y206-L241 HydrophobicContact CD1-CD2 3.82Å; Y206-L241 HydrophobicContact CD2-CD1 3.7Å; Y206-L241 HydrophobicContact CD2-CD2 3.49Å; Y206-L241 VanDerWaalsContact CD2-CD2 3.49Å; Y206-L241 HydrophobicContact CD2-CG 4.22Å; Y206-L241 HydrophobicContact CE1-CD2 4.31Å; Y206-L241 HydrophobicContact CE2-CD2 4.01Å; Y206-L241 HydrophobicContact CG-CD1 4.06Å; Y206-L241 HydrophobicContact CG-CD2 3.36Å; Y206-L241 HydrophobicContact CG-CG 4.38Å; C209-L241 HydrophobicContact CB-CD2 4.04Å; L214-L241 HydrophobicContact CD1-CD1 4.26Å; L214-L241 HydrophobicContact CD2-CD1 4.32Å; A239-L241 WeakPolarHBondContact CB-O 3.27Å; L241-H284 WeakPolarHBondContact CA-O 3.44Å; L241-R285 HydrophobicContact CD2-CG 4.22Å; L241-L307 HydrophobicContact CB-CB 4.29Å; L241-L307 HydrophobicContact CB-CD1 4.44Å; L241-L307 PolarHBondContact N-O 3.49Å; L241-L307 WeakPolarHBondContact O-CA 3.3Å; L241-L307 WeakPolarHBondContact O-CB 3.47Å; L241-L307 PolarHBondContact O-N 3.08Å |
| 242 | T | 98.8 | Very high | 96 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 138.8 | -179.6 | -60.4 | 0 | 0 | 0 | 0 | 110.2 | D237 L283 H284 V304 V305 | D237-T242 WeakPolarHBondContact OD2-CB 3.49Å; D237-T242 WeakPolarHBondContact OD2-CG2 3.4Å; D237-T242 PolarHBondContact OD2-OG1 2.92Å; T242-L283 WeakPolarHBondContact O-CA 3.46Å; T242-H284 VanDerWaalsContact CB-CE1 3.46Å; T242-H284 WeakPolarHBondContact CB-CE1 3.21Å; T242-H284 WeakPolarHBondContact CB-NE2 3.42Å; T242-H284 WeakPolarHBondContact CG2-NE2 3.28Å; T242-H284 PolarHBondContact N-O 3.04Å; T242-H284 PolarHBondContact O-N 2.82Å; T242-H284 VanDerWaalsContact O-N 3.08Å; T242-V304 HydrophobicContact CG2-CG1 3.93Å; T242-V305 WeakPolarHBondContact CA-O 3.19Å |
| 243 | L | 98.9 | Very high | 96 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 131.1 | 163 | 167.4 | 69 | 0 | 0 | 0 | 108.6 | V144 L193 L198 V245 V282 L283 V304 V305 | V144-L243 HydrophobicContact CG2-CD1 4.13Å; L193-L243 HydrophobicContact CD2-CD2 4.5Å; L198-L243 HydrophobicContact CD1-CD2 3.9Å; L198-L243 HydrophobicContact CD2-CD2 3.92Å; L243-V245 HydrophobicContact CD1-CG2 3.71Å; L243-V245 HydrophobicContact CD2-CG2 3.87Å; L243-V245 HydrophobicContact CG-CG2 3.74Å; L243-V282 WeakPolarHBondContact CA-O 3.42Å; L243-L283 HydrophobicContact CB-CD2 3.88Å; L243-L283 HydrophobicContact CD1-CD2 3.46Å; L243-L283 VanDerWaalsContact CD1-CD2 3.46Å; L243-L283 HydrophobicContact CD1-CG 4.39Å; L243-L283 HydrophobicContact CG-CD2 4.25Å; L243-V304 CarbonylContact O-C 3.59Å; L243-V304 WeakPolarHBondContact O-CA 3.23Å; L243-V305 HydrophobicContact CB-CB 4.31Å; L243-V305 HydrophobicContact CD2-CG2 4.37Å; L243-V305 PolarHBondContact N-O 3.23Å; L243-V305 PolarHBondContact O-N 3.47Å |
| 244 | N | 98.8 | Very high | 96.2 | Very high | 13 Ų | 13 | 27.2 Ų | 27.2 | 7% | 0.07 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 108.6 | 173.7 | -177.1 | -29.1 | 0 | 0 | 0 | 110.3 | G281 V282 N302 L303 | N244-G281 CarbonylContact O-C 3.58Å; N244-G281 VanDerWaalsContact O-CA 3.31Å; N244-G281 WeakPolarHBondContact O-CA 3.49Å; N244-V282 PolarHBondContact N-O 3.18Å; N244-V282 PolarHBondContact O-N 2.96Å; N244-N302 WeakPolarHBondContact OD1-CB 3.44Å; N244-N302 PolarHBondContact OD1-ND2 3.2Å; N244-L303 CarbonylContact C-O 3.34Å; N244-L303 WeakPolarHBondContact CA-O 3.45Å |
| 245 | V | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 124.2 | -177.5 | -170.8 | 0 | 0 | 0 | 0 | 110.5 | V144 F145 L243 L247 Q280 N302 L303 | V144-V245 HydrophobicContact CB-CG1 4.41Å; V144-V245 HydrophobicContact CB-CG2 4.17Å; V144-V245 HydrophobicContact CG1-CG2 4.35Å; V144-V245 HydrophobicContact CG2-CG2 3.95Å; F145-V245 HydrophobicContact CD2-CG1 4.1Å; F145-V245 HydrophobicContact CE2-CG1 4.4Å; F145-V245 HydrophobicContact CE2-CG2 4.35Å; L243-V245 HydrophobicContact CD1-CG2 3.71Å; L243-V245 HydrophobicContact CD2-CG2 3.87Å; L243-V245 HydrophobicContact CG-CG2 3.74Å; V245-L247 HydrophobicContact CG1-CD2 4.37Å; V245-L247 PolarHBondContact O-N 3.44Å; V245-Q280 WeakPolarHBondContact CA-O 3.41Å; V245-N302 CarbonylContact O-C 3.53Å; V245-N302 WeakPolarHBondContact O-CA 3.47Å; V245-L303 HydrophobicContact CB-CB 4.36Å; V245-L303 PolarHBondContact N-O 3.05Å; V245-L303 PolarHBondContact O-N 2.89Å |
| 246 | A | 97.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 111.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | H276 G279 Q280 | A246-H276 HydrophobicContact CB-CB 4.07Å; A246-G279 PolarHBondContact O-N 2.77Å; A246-Q280 PolarHBondContact N-O 3.28Å |
| 247 | L | 97 | Very high | 96.6 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | -28.6 | -173 | -67.3 | -180 | 0 | 0 | 0 | 113.2 | F145 C150 L153 L157 V221 V245 W301 L303 | F145-L247 HydrophobicContact CD2-CD2 4.5Å; C150-L247 VanDerWaalsContact CB-O 3.29Å; C150-L247 WeakPolarHBondContact CB-O 3.31Å; L153-L247 HydrophobicContact CD2-CD1 4.14Å; L153-L247 HydrophobicContact CD2-CD2 3.97Å; L153-L247 HydrophobicContact CG-CD1 4.43Å; L157-L247 HydrophobicContact CD1-CD1 3.73Å; V221-L247 HydrophobicContact CG1-CD1 4.33Å; V221-L247 HydrophobicContact CG2-CD1 4.17Å; V245-L247 HydrophobicContact CG1-CD2 4.37Å; V245-L247 PolarHBondContact O-N 3.44Å; L247-W301 HydrophobicContact CB-CB 4.42Å; L247-W301 PolarHBondContact N-O 3.48Å; L247-L303 HydrophobicContact CD1-CB 4.07Å; L247-L303 HydrophobicContact CD2-CB 3.96Å; L247-L303 HydrophobicContact CG-CB 4.04Å |
| 248 | G | 90.5 | Very high | 96.6 | Very high | 8 Ų | 8 | 21.8 Ų | 21.8 | 8% | 0.082 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.2 | -154.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 249 | K | 93.3 | Very high | 96.5 | Very high | 74 Ų | 74 | 20.9 Ų | 20.9 | 32% | 0.322 | 12% | 0.123 | S | C | . | . | trans | 65.9 | 175.1 | -170.1 | -57.5 | -57.6 | -169.3 | -174.7 | 0 | 113.8 | L154 E158 E299 | L154-K249 HydrophobicContact CD2-CD 3.91Å; L154-K249 HydrophobicContact CD2-CG 3.97Å; E158-K249 VanDerWaalsContact CD-CE 3.5Å; E158-K249 WeakPolarHBondContact OE1-CE 3.17Å; E158-K249 IonicContact OE1-NZ 3.89Å; E158-K249 PolarHBondContact OE1-NZ 3.27Å; E158-K249 IonicContact OE2-NZ 3.3Å; E158-K249 PolarHBondContact OE2-NZ 3.02Å; K249-E299 HydrophobicContact CB-CB 4.4Å; K249-E299 WeakPolarHBondContact CB-O 3.39Å; K249-E299 HydrophobicContact CG-CB 4.34Å; K249-E299 HydrophobicContact CG-CG 4.38Å | ||
| 250 | V | 94 | Very high | 96.2 | Very high | 132 Ų | 132 | 21.4 Ų | 21.4 | 80% | 0.8 | 13% | 0.129 | S | C | * | . | trans | -109.8 | 125 | 176.8 | -178.9 | 0 | 0 | 0 | 0 | 107.8 | G298 E299 | V250-G298 WeakPolarHBondContact O-CA 3.19Å; V250-E299 PolarHBondContact O-N 2.75Å | ||
| 251 | F | 95.9 | Very high | 95.8 | Very high | 37 Ų | 37 | 23.1 Ų | 23.1 | 16% | 0.162 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 166 | -180 | 59.1 | -86.9 | 0 | 0 | 0 | 112.1 | H276 V278 L295 T297 E299 R300 | F251-H276 HydrophobicContact CE2-CB 4.13Å; F251-H276 HydrophobicContact CZ-CB 3.89Å; F251-V278 HydrophobicContact CE1-CG2 4.34Å; F251-L295 HydrophobicContact CB-CD1 3.81Å; F251-L295 HydrophobicContact CD2-CD1 4.13Å; F251-L295 HydrophobicContact CG-CD1 4.25Å; F251-T297 WeakPolarHBondContact CA-O 3.37Å; F251-T297 VanDerWaalsContact CB-O 3.25Å; F251-T297 WeakPolarHBondContact CB-O 3.38Å; F251-E299 VanDerWaalsContact CD1-O 3.31Å; F251-E299 WeakPolarHBondContact CD1-O 3.27Å; F251-R300 HydrophobicContact CB-CB 4.48Å; F251-R300 HydrophobicContact CD1-CB 3.94Å; F251-R300 HydrophobicContact CD1-CG 3.94Å; F251-R300 HydrophobicContact CD2-CB 4.2Å; F251-R300 HydrophobicContact CD2-CG 4.1Å; F251-R300 HydrophobicContact CE1-CB 4.23Å; F251-R300 HydrophobicContact CE1-CG 3.7Å; F251-R300 HydrophobicContact CE2-CB 4.46Å; F251-R300 HydrophobicContact CE2-CG 3.86Å; F251-R300 HydrophobicContact CG-CB 3.94Å; F251-R300 HydrophobicContact CG-CG 4.15Å; F251-R300 HydrophobicContact CZ-CB 4.49Å; F251-R300 HydrophobicContact CZ-CG 3.67Å |
| 252 | T | 95.9 | Very high | 95.3 | Very high | 73 Ų | 73 | 24.8 Ų | 24.8 | 45% | 0.448 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 154.9 | 169.7 | 61.8 | 0 | 0 | 0 | 0 | 110.6 | G296 T297 | T252-G296 PolarHBondContact O-N 3.32Å; T252-T297 PolarHBondContact N-O 3.08Å; T252-T297 VanDerWaalsContact N-O 3.1Å; T252-T297 PolarHBondContact OG1-N 3.19Å; T252-T297 VanDerWaalsContact OG1-N 3.08Å; T252-T297 PolarHBondContact OG1-OG1 2.83Å |
| 253 | G | 95.8 | Very high | 94.6 | Very high | 35 Ų | 35 | 30.4 Ų | 30.4 | 36% | 0.361 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 67.4 | -159.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 254 | G | 95.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | 80.6 | 11.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L256 H276 R293 P294 R300 | G254-L256 PolarHBondContact O-N 3Å; G254-H276 PolarHBondContact O-CD2 2.99Å; G254-R293 WeakPolarHBondContact CA-O 3.24Å; G254-P294 PolarHBondContact N-O 3.4Å; G254-R300 PolarHBondContact O-NH1 3.27Å | ||
| 255 | A | 97.4 | Very high | 91.6 | Very high | 3 Ų | 3 | 37.3 Ų | 37.3 | 3% | 0.025 | 22% | 0.222 | C | C | . | . | trans | -48.3 | 142.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | E275 R293 | A255-E275 WeakPolarHBondContact CB-OE1 3.45Å; A255-R293 HydrophobicContact CB-CG 4.24Å; A255-R293 WeakPolarHBondContact O-CB 3.28Å; A255-R293 WeakPolarHBondContact O-CG 3.27Å; A255-R293 PolarHBondContact O-N 2.63Å | ||
| 256 | L | 97.8 | Very high | 89.7 | Confident | 6 Ų | 6 | 43.4 Ų | 43.4 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 142.4 | 164.4 | -63.4 | 175.4 | 0 | 0 | 0 | 108.3 | G254 F258 E273 V274 G291 A292 | G254-L256 PolarHBondContact O-N 3Å; L256-F258 HydrophobicContact CB-CD2 4.2Å; L256-F258 HydrophobicContact CB-CE2 3.52Å; L256-F258 HydrophobicContact CB-CZ 4.04Å; L256-F258 HydrophobicContact CD1-CE2 3.93Å; L256-F258 HydrophobicContact CD1-CZ 3.77Å; L256-F258 HydrophobicContact CG-CE2 4.38Å; L256-E273 CarbonylContact O-C 3.48Å; L256-E273 WeakPolarHBondContact O-CA 3.44Å; L256-V274 HydrophobicContact CB-CB 4.39Å; L256-V274 PolarHBondContact N-O 3.24Å; L256-V274 PolarHBondContact O-N 3.12Å; L256-G291 WeakPolarHBondContact CA-O 3.42Å; L256-A292 HydrophobicContact CD2-CB 4.39Å |
| 257 | Y | 96.8 | Very high | 88 | Confident | 27 Ų | 27 | 44 Ų | 44 | 11% | 0.106 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 134 | 168.7 | 65.7 | -92.5 | 0 | 0 | 0 | 109.1 | L232 C234 L268 P271 L272 H290 G291 R293 | L232-Y257 PolarHBondContact O-OH 2.79Å; C234-Y257 WeakPolarHBondContact CA-OH 3.45Å; C234-Y257 HydrophobicContact CB-CE2 4.17Å; C234-Y257 WeakPolarHBondContact CB-OH 3.23Å; C234-Y257 PolarHBondContact N-OH 2.81Å; Y257-L268 HydrophobicContact CD2-CD2 4.38Å; Y257-L268 HydrophobicContact CE2-CD2 4.32Å; Y257-P271 HydrophobicContact CD2-CB 4.34Å; Y257-L272 CarbonylContact C-O 3.56Å; Y257-L272 WeakPolarHBondContact CA-O 3.31Å; Y257-H290 CarbonylContact O-C 3.48Å; Y257-H290 WeakPolarHBondContact O-CA 3.2Å; Y257-H290 WeakPolarHBondContact O-CB 3.46Å; Y257-G291 WeakPolarHBondContact CD1-O 3.34Å; Y257-G291 VanDerWaalsContact CE1-CA 3.46Å; Y257-G291 VanDerWaalsContact CZ-CA 3.47Å; Y257-G291 PolarHBondContact N-O 3.44Å; Y257-G291 PolarHBondContact O-N 3.18Å; Y257-G291 VanDerWaalsContact O-N 3.11Å; Y257-R293 HydrophobicContact CD1-CG 4.19Å |
| 258 | F | 96 | Very high | 86.5 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 124.2 | -176.1 | -67.9 | -87.1 | 0 | 0 | 0 | 111.5 | I139 L256 P271 L272 V274 V282 H284 Q288 H290 | I139-F258 HydrophobicContact CD1-CB 3.65Å; I139-F258 HydrophobicContact CD1-CD1 3.78Å; I139-F258 HydrophobicContact CD1-CD2 3.78Å; I139-F258 HydrophobicContact CD1-CE1 4.34Å; I139-F258 HydrophobicContact CD1-CE2 4.31Å; I139-F258 HydrophobicContact CD1-CG 3.46Å; I139-F258 VanDerWaalsContact CD1-CG 3.46Å; L256-F258 HydrophobicContact CB-CD2 4.2Å; L256-F258 HydrophobicContact CB-CE2 3.52Å; L256-F258 HydrophobicContact CB-CZ 4.04Å; L256-F258 HydrophobicContact CD1-CE2 3.93Å; L256-F258 HydrophobicContact CD1-CZ 3.77Å; L256-F258 HydrophobicContact CG-CE2 4.38Å; F258-P271 CarbonylContact O-C 3.53Å; F258-P271 VanDerWaalsContact O-CA 3.31Å; F258-P271 WeakPolarHBondContact O-CA 3.23Å; F258-L272 HydrophobicContact CB-CB 4.38Å; F258-L272 PolarHBondContact N-O 3.16Å; F258-L272 PolarHBondContact O-N 2.71Å; F258-V274 HydrophobicContact CD2-CB 4.26Å; F258-V274 HydrophobicContact CD2-CG2 3.65Å; F258-V274 HydrophobicContact CE2-CB 3.98Å; F258-V274 HydrophobicContact CE2-CG2 3.76Å; F258-V282 HydrophobicContact CE2-CG1 4.34Å; F258-V282 HydrophobicContact CZ-CG1 4.08Å; F258-H284 HydrophobicContact CE1-CB 4.07Å; F258-H284 AromaticContact CE1-CD2 3.72Å; F258-H284 AromaticContact CE1-CG 3.64Å; F258-H284 AromaticContact CE1-ND1 3.85Å; F258-H284 AromaticContact CE1-NE2 3.95Å; F258-H284 AromaticContact CZ-CD2 3.88Å; F258-Q288 HydrophobicContact CD1-CG 4.02Å; F258-H290 HydrophobicContact CD1-CB 3.46Å; F258-H290 VanDerWaalsContact CD1-CB 3.46Å; F258-H290 HydrophobicContact CE1-CB 3.74Å; F258-H290 AromaticContact CE1-CG 3.96Å; F258-H290 HydrophobicContact CG-CB 4.14Å |
| 259 | G | 93.2 | Very high | 85.6 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -162.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A267 Q288 L289 | G259-A267 CarbonylContact C-O 3.53Å; G259-A267 WeakPolarHBondContact CA-O 3.43Å; G259-Q288 PolarHBondContact O-NE2 2.91Å; G259-L289 PolarHBondContact N-O 3.05Å |
| 260 | G | 91.1 | Very high | 85 | Confident | 18 Ų | 18 | 57.4 Ų | 57.4 | 19% | 0.186 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | -167.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A267 L289 | G260-A267 VanDerWaalsContact CA-CB 3.44Å; G260-A267 PolarHBondContact N-O 3.44Å; G260-L289 WeakPolarHBondContact O-CB 3.45Å; G260-L289 PolarHBondContact O-N 3.5Å |
| 261 | L | 90.7 | Very high | 84.9 | Confident | 55 Ų | 55 | 53.1 Ų | 53.1 | 29% | 0.288 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 149.6 | -179.8 | -64.7 | 175.4 | 0 | 0 | 0 | 111.9 | Q263 A264 G287 | L261-Q263 PolarHBondContact O-N 3.24Å; L261-Q263 VanDerWaalsContact O-N 3.08Å; L261-A264 CarbonylContact O-C 3.47Å; L261-A264 PolarHBondContact O-N 3.18Å; L261-G287 WeakPolarHBondContact CA-O 3.34Å |
| 262 | F | 86.9 | Confident | 84.9 | Confident | 34 Ų | 34 | 53.6 Ų | 53.6 | 15% | 0.149 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -23.6 | -177.9 | 75.3 | -97.6 | 0 | 0 | 0 | 113.9 | Y236 A264 G287 L289 H321 | Y236-F262 HydrophobicContact CD1-CB 3.82Å; Y236-F262 HydrophobicContact CD1-CD1 4.34Å; Y236-F262 HydrophobicContact CD1-CG 4.08Å; Y236-F262 HydrophobicContact CD2-CD1 4.02Å; Y236-F262 HydrophobicContact CD2-CE1 4.3Å; Y236-F262 HydrophobicContact CE1-CB 4.39Å; Y236-F262 HydrophobicContact CE1-CG 4.35Å; Y236-F262 HydrophobicContact CE2-CD1 4.47Å; Y236-F262 HydrophobicContact CE2-CE1 4.48Å; Y236-F262 HydrophobicContact CG-CB 4.13Å; Y236-F262 AromaticContact CG-CD1 3.97Å; Y236-F262 HydrophobicContact CG-CD1 3.97Å; Y236-F262 HydrophobicContact CG-CG 4.17Å; F262-A264 PolarHBondContact O-N 2.74Å; F262-G287 WeakPolarHBondContact CD1-O 3.39Å; F262-G287 PolarHBondContact N-O 3.29Å; F262-L289 HydrophobicContact CB-CD2 3.92Å; F262-L289 HydrophobicContact CB-CG 4.17Å; F262-H321 AromaticContact CE2-CE1 3.52Å; F262-H321 AromaticContact CE2-NE2 3.3Å; F262-H321 VanDerWaalsContact CE2-NE2 3.3Å; F262-H321 WeakPolarHBondContact CE2-NE2 3.38Å |
| 263 | Q | 84.1 | Confident | 84.9 | Confident | 121 Ų | 121 | 54.9 Ų | 54.9 | 57% | 0.565 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -13.8 | 175.3 | -58.7 | 89.6 | -18.3 | 0 | 0 | 113.4 | L261 | L261-Q263 PolarHBondContact O-N 3.24Å; L261-Q263 VanDerWaalsContact O-N 3.08Å |
| 264 | A | 76.8 | Confident | 85 | Confident | 52 Ų | 52 | 53.3 Ų | 53.3 | 43% | 0.43 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -131.4 | 82.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | L261 F262 T266 A267 | L261-A264 CarbonylContact O-C 3.47Å; L261-A264 PolarHBondContact O-N 3.18Å; F262-A264 PolarHBondContact O-N 2.74Å; A264-T266 VanDerWaalsContact C-N 3.33Å; A264-T266 PolarHBondContact O-N 2.57Å; A264-T266 VanDerWaalsContact O-N 3.15Å; A264-A267 WeakPolarHBondContact O-CB 3.17Å |
| 265 | P | 58 | Low | 85.1 | Confident | 105 Ų | 105 | 58.2 Ų | 58.2 | 68% | 0.682 | 32% | 0.322 | S | S | * | . | trans | -72.7 | -2.5 | -164.5 | -20.1 | 33.1 | 0 | 0 | 0 | 117.9 | A267 | P265-A267 PolarHBondContact O-N 2.94Š| ||
| 266 | T | 60.5 | Low | 85.1 | Confident | 128 Ų | 128 | 59 Ų | 59 | 79% | 0.785 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -65.1 | 21.7 | 168.2 | 36.2 | 0 | 0 | 0 | 0 | 112.8 | A264 T269 | A264-T266 VanDerWaalsContact C-N 3.33Å; A264-T266 PolarHBondContact O-N 2.57Å; A264-T266 VanDerWaalsContact O-N 3.15Å; T266-T269 PolarHBondContact O-OG1 3.33Å; T266-T269 VanDerWaalsContact O-OG1 3.11Å |
| 267 | A | 60.2 | Low | 85 | Confident | 13 Ų | 13 | 61.8 Ų | 61.8 | 11% | 0.107 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -94.9 | -15.4 | -152.2 | 0 | 0 | 0 | 0 | 0 | 114 | G259 G260 A264 P265 L289 | G259-A267 CarbonylContact C-O 3.53Å; G259-A267 WeakPolarHBondContact CA-O 3.43Å; G260-A267 VanDerWaalsContact CA-CB 3.44Å; G260-A267 PolarHBondContact N-O 3.44Å; A264-A267 WeakPolarHBondContact O-CB 3.17Å; P265-A267 PolarHBondContact O-N 2.94Å; A267-L289 HydrophobicContact CB-CD1 3.97Å |
| 268 | L | 67.4 | Low | 84.9 | Confident | 70 Ų | 70 | 64.1 Ų | 64.1 | 37% | 0.366 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -111.6 | 9.1 | -175.2 | -65.5 | 168.6 | 0 | 0 | 0 | 113.9 | C234 Y257 E270 L289 | C234-L268 HydrophobicContact CB-CD1 4.19Å; C234-L268 WeakPolarHBondContact SG-CD1 3.48Å; Y257-L268 HydrophobicContact CD2-CD2 4.38Å; Y257-L268 HydrophobicContact CE2-CD2 4.32Å; L268-E270 VanDerWaalsContact C-N 3.27Å; L268-E270 PolarHBondContact O-N 2.96Å; L268-L289 HydrophobicContact CD2-CB 4.4Å |
| 269 | T | 71.2 | Confident | 84.7 | Confident | 125 Ų | 125 | 64.6 Ų | 64.6 | 77% | 0.767 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -62.2 | -36.1 | 178.9 | 24.4 | 0 | 0 | 0 | 0 | 112.3 | T266 | T266-T269 PolarHBondContact O-OG1 3.33Å; T266-T269 VanDerWaalsContact O-OG1 3.11Å |
| 270 | E | 81 | Confident | 84.9 | Confident | 171 Ų | 171 | 66.9 Ų | 66.9 | 80% | 0.799 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -138.7 | 84.5 | 174.8 | -66.2 | -176.6 | 171.6 | 0 | 0 | 109.2 | L268 | L268-E270 VanDerWaalsContact C-N 3.27Å; L268-E270 PolarHBondContact O-N 2.96Å |
| 271 | P | 91.1 | Very high | 85.3 | Confident | 42 Ų | 42 | 66 Ų | 66 | 27% | 0.273 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 142.7 | -178.1 | 31.1 | -33.6 | 0 | 0 | 0 | 110.9 | Y257 F258 | Y257-P271 HydrophobicContact CD2-CB 4.34Å; F258-P271 CarbonylContact O-C 3.53Å; F258-P271 VanDerWaalsContact O-CA 3.31Å; F258-P271 WeakPolarHBondContact O-CA 3.23Å |
| 272 | L | 94.9 | Very high | 85.7 | Confident | 47 Ų | 47 | 63.5 Ų | 63.5 | 25% | 0.246 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 120.2 | 169.6 | 174.2 | 73.5 | 0 | 0 | 0 | 109 | V133 S134 K137 I139 Y257 F258 V274 | V133-L272 HydrophobicContact CG1-CD2 4.28Å; S134-L272 VanDerWaalsContact CB-CD2 3.47Å; K137-L272 HydrophobicContact CD-CB 4.07Å; K137-L272 HydrophobicContact CD-CD2 4.36Å; I139-L272 HydrophobicContact CD1-CD2 3.82Å; Y257-L272 CarbonylContact C-O 3.56Å; Y257-L272 WeakPolarHBondContact CA-O 3.31Å; F258-L272 HydrophobicContact CB-CB 4.38Å; F258-L272 PolarHBondContact N-O 3.16Å; F258-L272 PolarHBondContact O-N 2.71Å; L272-V274 HydrophobicContact CD2-CG2 3.93Å; L272-V274 HydrophobicContact CG-CG2 3.94Å |
| 273 | E | 96.7 | Very high | 86.2 | Confident | 101 Ų | 101 | 61.9 Ų | 61.9 | 47% | 0.472 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 135.9 | 172.6 | -60 | -159.2 | 155.8 | 0 | 0 | 111.3 | L256 R293 | L256-E273 CarbonylContact O-C 3.48Å; L256-E273 WeakPolarHBondContact O-CA 3.44Å; E273-R293 IonicContact OE1-CZ 3.2Å; E273-R293 VanDerWaalsContact OE1-CZ 3.27Å; E273-R293 IonicContact OE1-NE 2.79Å; E273-R293 PolarHBondContact OE1-NE 3.44Å; E273-R293 IonicContact OE1-NH2 3.27Å; E273-R293 PolarHBondContact OE1-NH2 3.41Å |
| 274 | V | 97.9 | Very high | 86.9 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.012 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 104.8 | -175.4 | -177.1 | 0 | 0 | 0 | 0 | 108.1 | V133 L256 F258 L272 V282 | V133-V274 HydrophobicContact CG1-CG1 4.09Å; V133-V274 HydrophobicContact CG1-CG2 3.72Å; L256-V274 HydrophobicContact CB-CB 4.39Å; L256-V274 PolarHBondContact N-O 3.24Å; L256-V274 PolarHBondContact O-N 3.12Å; F258-V274 HydrophobicContact CD2-CB 4.26Å; F258-V274 HydrophobicContact CD2-CG2 3.65Å; F258-V274 HydrophobicContact CE2-CB 3.98Å; F258-V274 HydrophobicContact CE2-CG2 3.76Å; L272-V274 HydrophobicContact CD2-CG2 3.93Å; L272-V274 HydrophobicContact CG-CG2 3.94Å; V274-V282 HydrophobicContact CG1-CG2 4.02Å |
| 275 | E | 97.4 | Very high | 87.9 | Confident | 102 Ų | 102 | 55.5 Ų | 55.5 | 48% | 0.477 | 31% | 0.306 | S | S | . | . | trans | -67.7 | 148.4 | 175.1 | -66.5 | -61.3 | 162 | 0 | 0 | 111.4 | R141 A255 | R141-E275 PolarHBondContact NH2-O 2.88Å; A255-E275 WeakPolarHBondContact CB-OE1 3.45Å | ||
| 276 | H | 96.8 | Very high | 89.8 | Confident | 21 Ų | 21 | 50.5 Ų | 50.5 | 10% | 0.097 | 27% | 0.273 | C | S | . | . | trans | -80.2 | 140.7 | 173.3 | -73.3 | -65.5 | 0 | 0 | 0 | 111 | A246 F251 G254 N302 | A246-H276 HydrophobicContact CB-CB 4.07Å; F251-H276 HydrophobicContact CE2-CB 4.13Å; F251-H276 HydrophobicContact CZ-CB 3.89Å; G254-H276 PolarHBondContact O-CD2 2.99Å; H276-N302 PolarHBondContact CE1-ND2 2.94Å; H276-N302 PolarHBondContact ND1-ND2 3.07Å | ||
| 277 | V | 95.8 | Very high | 91.4 | Very high | 64 Ų | 64 | 45 Ų | 45 | 39% | 0.388 | 24% | 0.242 | S | C | . | . | trans | -122.5 | 122.7 | 168.8 | -177 | 0 | 0 | 0 | 0 | 106.8 | G279 Q280 | V277-G279 PolarHBondContact O-N 3.18Å; V277-Q280 HydrophobicContact CB-CB 4.13Å; V277-Q280 HydrophobicContact CB-CG 3.99Å; V277-Q280 HydrophobicContact CG1-CG 3.88Å; V277-Q280 WeakPolarHBondContact O-CB 3.16Å; V277-Q280 PolarHBondContact O-N 3.27Å | ||
| 278 | V | 94.6 | Very high | 93 | Very high | 76 Ų | 76 | 44.4 Ų | 44.4 | 46% | 0.461 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 135.2 | -179.1 | 170.5 | 0 | 0 | 0 | 0 | 110.5 | F251 Q280 | F251-V278 HydrophobicContact CE1-CG2 4.34Å; V278-Q280 PolarHBondContact O-N 3.04Å |
| 279 | G | 93.4 | Very high | 94.3 | Very high | 10 Ų | 10 | 42.3 Ų | 42.3 | 10% | 0.103 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | -11.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | V144 A246 V277 | V144-G279 PolarHBondContact N-O 2.87Å; A246-G279 PolarHBondContact O-N 2.77Å; V277-G279 PolarHBondContact O-N 3.18Å |
| 280 | Q | 97.6 | Very high | 95.5 | Very high | 48 Ų | 48 | 36.7 Ų | 36.7 | 22% | 0.224 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 140.8 | -179.9 | -54.5 | -160.8 | -0.5 | 0 | 0 | 112.4 | R141 V142 P143 V245 A246 V277 V278 | R141-Q280 HydrophobicContact CG-CB 3.94Å; R141-Q280 VanDerWaalsContact CG-OE1 3.29Å; V142-Q280 CarbonylContact O-C 3.57Å; V142-Q280 WeakPolarHBondContact O-CA 3.42Å; P143-Q280 HydrophobicContact CG-CG 4.39Å; V245-Q280 WeakPolarHBondContact CA-O 3.41Å; A246-Q280 PolarHBondContact N-O 3.28Å; V277-Q280 HydrophobicContact CB-CB 4.13Å; V277-Q280 HydrophobicContact CB-CG 3.99Å; V277-Q280 HydrophobicContact CG1-CG 3.88Å; V277-Q280 WeakPolarHBondContact O-CB 3.16Å; V277-Q280 PolarHBondContact O-N 3.27Å; V278-Q280 PolarHBondContact O-N 3.04Å |
| 281 | G | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 135.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R141 V142 N244 | R141-G281 VanDerWaalsContact CA-O 3.28Å; R141-G281 WeakPolarHBondContact CA-O 3.36Å; R141-G281 WeakPolarHBondContact CG-O 2.98Å; V142-G281 PolarHBondContact N-O 3.4Å; V142-G281 PolarHBondContact O-N 3.36Å; N244-G281 CarbonylContact O-C 3.58Å; N244-G281 VanDerWaalsContact O-CA 3.31Å; N244-G281 WeakPolarHBondContact O-CA 3.49Å |
| 282 | V | 98.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.012 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 127.7 | 166.8 | 179.5 | 0 | 0 | 0 | 0 | 108.5 | I139 Y140 L243 N244 F258 V274 | I139-V282 HydrophobicContact CG2-CG1 3.69Å; Y140-V282 WeakPolarHBondContact O-CA 3.34Å; L243-V282 WeakPolarHBondContact CA-O 3.42Å; N244-V282 PolarHBondContact N-O 3.18Å; N244-V282 PolarHBondContact O-N 2.96Å; F258-V282 HydrophobicContact CE2-CG1 4.34Å; F258-V282 HydrophobicContact CZ-CG1 4.08Å; V274-V282 HydrophobicContact CG1-CG2 4.02Å |
| 283 | L | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 128.2 | 178.3 | -62.2 | 175.5 | 0 | 0 | 0 | 109.4 | I139 Y140 V142 M202 L205 Y206 T242 L243 | I139-L283 WeakPolarHBondContact CA-O 3.28Å; Y140-L283 PolarHBondContact N-O 3.07Å; Y140-L283 VanDerWaalsContact N-O 3.13Å; Y140-L283 PolarHBondContact O-N 3.13Å; V142-L283 HydrophobicContact CG1-CD1 4.34Å; M202-L283 HydrophobicContact CE-CD1 3.77Å; M202-L283 HydrophobicContact CE-CD2 3.26Å; M202-L283 HydrophobicContact CE-CG 4.03Å; M202-L283 HydrophobicContact SD-CD2 4.44Å; L205-L283 HydrophobicContact CD1-CD1 3.88Å; Y206-L283 PolarHBondContact OH-O 2.98Å; Y206-L283 VanDerWaalsContact OH-O 3.13Å; T242-L283 WeakPolarHBondContact O-CA 3.46Å; L243-L283 HydrophobicContact CB-CD2 3.88Å; L243-L283 HydrophobicContact CD1-CD2 3.46Å; L243-L283 VanDerWaalsContact CD1-CD2 3.46Å; L243-L283 HydrophobicContact CD1-CG 4.39Å; L243-L283 HydrophobicContact CG-CD2 4.25Å |
| 284 | H | 98.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 171 | 177 | 64.6 | 95.7 | 0 | 0 | 0 | 112.4 | I139 Y206 D237 L241 T242 F258 H290 | I139-H284 HydrophobicContact CG1-CB 4.14Å; Y206-H284 WeakPolarHBondContact OH-CA 3.41Å; Y206-H284 PolarHBondContact OH-N 3.34Å; D237-H284 IonicContact OD2-CE1 2.87Å; D237-H284 PolarHBondContact OD2-CE1 3.13Å; D237-H284 VanDerWaalsContact OD2-CE1 3.29Å; L241-H284 WeakPolarHBondContact CA-O 3.44Å; T242-H284 VanDerWaalsContact CB-CE1 3.46Å; T242-H284 WeakPolarHBondContact CB-CE1 3.21Å; T242-H284 WeakPolarHBondContact CB-NE2 3.42Å; T242-H284 WeakPolarHBondContact CG2-NE2 3.28Å; T242-H284 PolarHBondContact N-O 3.04Å; T242-H284 PolarHBondContact O-N 2.82Å; T242-H284 VanDerWaalsContact O-N 3.08Å; F258-H284 HydrophobicContact CE1-CB 4.07Å; F258-H284 AromaticContact CE1-CD2 3.72Å; F258-H284 AromaticContact CE1-CG 3.64Å; F258-H284 AromaticContact CE1-ND1 3.85Å; F258-H284 AromaticContact CE1-NE2 3.95Å; F258-H284 AromaticContact CZ-CD2 3.88Å; H284-H290 AromaticContact CE1-CE1 3.61Å; H284-H290 AromaticContact CE1-ND1 3.99Å; H284-H290 AromaticContact CE1-NE2 3.78Å |
| 285 | R | 97.5 | Very high | 96.6 | Very high | 38 Ų | 38 | 28 Ų | 28 | 14% | 0.143 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 137.7 | 171.8 | -65.3 | 174 | -68.3 | -168.9 | -3.9 | 110 | K137 Y206 L241 G287 Q288 | K137-R285 PolarHBondContact O-NH2 2.75Å; Y206-R285 HydrophobicContact CD1-CG 3.91Å; Y206-R285 HydrophobicContact CE1-CG 3.91Å; L241-R285 HydrophobicContact CD2-CG 4.22Å; R285-G287 VanDerWaalsContact C-N 3.27Å; R285-G287 PolarHBondContact O-N 2.89Å; R285-Q288 WeakPolarHBondContact O-CB 3.04Å; R285-Q288 PolarHBondContact O-N 3.03Å; R285-Q288 VanDerWaalsContact O-N 3.1Å |
| 286 | G | 96.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -34.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | D237 A239 E240 Q288 | D237-G286 PolarHBondContact N-O 2.97Å; A239-G286 WeakPolarHBondContact O-CA 3.31Å; E240-G286 PolarHBondContact O-N 2.94Å; G286-Q288 PolarHBondContact O-N 3.12Å; G286-Q288 VanDerWaalsContact O-N 3.16Å |
| 287 | G | 94.4 | Very high | 96.4 | Very high | 12 Ų | 12 | 27.7 Ų | 27.7 | 12% | 0.124 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | L261 F262 R285 | L261-G287 WeakPolarHBondContact CA-O 3.34Å; F262-G287 WeakPolarHBondContact CD1-O 3.39Å; F262-G287 PolarHBondContact N-O 3.29Å; R285-G287 VanDerWaalsContact C-N 3.27Å; R285-G287 PolarHBondContact O-N 2.89Å |
| 288 | Q | 94.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 126.2 | 175.3 | -160.1 | 98.6 | 20.7 | 0 | 0 | 109 | K137 F258 G259 R285 G286 H290 | K137-Q288 PolarHBondContact O-OE1 3.02Å; F258-Q288 HydrophobicContact CD1-CG 4.02Å; G259-Q288 PolarHBondContact O-NE2 2.91Å; R285-Q288 WeakPolarHBondContact O-CB 3.04Å; R285-Q288 PolarHBondContact O-N 3.03Å; R285-Q288 VanDerWaalsContact O-N 3.1Å; G286-Q288 PolarHBondContact O-N 3.12Å; G286-Q288 VanDerWaalsContact O-N 3.16Å; Q288-H290 PolarHBondContact O-N 3.42Å; Q288-H290 PolarHBondContact O-ND1 2.64Å |
| 289 | L | 95.3 | Very high | 96.5 | Very high | 25 Ų | 25 | 24.6 Ų | 24.6 | 13% | 0.131 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 127.3 | 173 | -71.7 | 174.6 | 0 | 0 | 0 | 109.1 | H235 Y236 G259 G260 F262 A267 L268 | H235-L289 CarbonylContact O-C 3.46Å; H235-L289 VanDerWaalsContact O-CA 3.31Å; H235-L289 WeakPolarHBondContact O-CA 3.33Å; Y236-L289 HydrophobicContact CD1-CD2 4.45Å; G259-L289 PolarHBondContact N-O 3.05Å; G260-L289 WeakPolarHBondContact O-CB 3.45Å; G260-L289 PolarHBondContact O-N 3.5Å; F262-L289 HydrophobicContact CB-CD2 3.92Å; F262-L289 HydrophobicContact CB-CG 4.17Å; A267-L289 HydrophobicContact CB-CD1 3.97Å; L268-L289 HydrophobicContact CD2-CB 4.4Å |
| 290 | H | 96.4 | Very high | 96.7 | Very high | 8 Ų | 8 | 24.3 Ų | 24.3 | 4% | 0.037 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 170.7 | -179.2 | 68.4 | -74.7 | 0 | 0 | 0 | 112.3 | C234 H235 D237 Y257 F258 H284 Q288 | C234-H290 CarbonylContact C-O 3.34Å; C234-H290 WeakPolarHBondContact CA-O 3.26Å; H235-H290 AromaticContact CE1-NE2 3.88Å; H235-H290 PolarHBondContact N-O 3.4Å; H235-H290 PolarHBondContact ND1-O 3.1Å; H235-H290 AromaticContact NE2-CE1 3.78Å; H235-H290 AromaticContact NE2-NE2 3.48Å; H235-H290 PolarHBondContact NE2-NE2 3.07Å; H235-H290 PolarHBondContact O-N 3.4Å; D237-H290 IonicContact OD1-CE1 3.29Å; D237-H290 IonicContact OD1-NE2 2.82Å; D237-H290 IonicContact OD2-CE1 2.93Å; D237-H290 PolarHBondContact OD2-CE1 3.29Å; D237-H290 VanDerWaalsContact OD2-CE1 3.31Å; D237-H290 IonicContact OD2-NE2 2.79Å; Y257-H290 CarbonylContact O-C 3.48Å; Y257-H290 WeakPolarHBondContact O-CA 3.2Å; Y257-H290 WeakPolarHBondContact O-CB 3.46Å; F258-H290 HydrophobicContact CD1-CB 3.46Å; F258-H290 VanDerWaalsContact CD1-CB 3.46Å; F258-H290 HydrophobicContact CE1-CB 3.74Å; F258-H290 AromaticContact CE1-CG 3.96Å; F258-H290 HydrophobicContact CG-CB 4.14Å; H284-H290 AromaticContact CE1-CE1 3.61Å; H284-H290 AromaticContact CE1-ND1 3.99Å; H284-H290 AromaticContact CE1-NE2 3.78Å; Q288-H290 PolarHBondContact O-N 3.42Å; Q288-H290 PolarHBondContact O-ND1 2.64Å |
| 291 | G | 95.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.6 | -171.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L232 L256 Y257 | L232-G291 WeakPolarHBondContact O-CA 3.39Å; L256-G291 WeakPolarHBondContact CA-O 3.42Å; Y257-G291 WeakPolarHBondContact CD1-O 3.34Å; Y257-G291 VanDerWaalsContact CE1-CA 3.46Å; Y257-G291 VanDerWaalsContact CZ-CA 3.47Å; Y257-G291 PolarHBondContact N-O 3.44Å; Y257-G291 PolarHBondContact O-N 3.18Å; Y257-G291 VanDerWaalsContact O-N 3.11Å |
| 292 | A | 96.9 | Very high | 96.7 | Very high | 4 Ų | 4 | 22 Ų | 22 | 3% | 0.033 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 131.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | E231 L232 L256 | E231-A292 WeakPolarHBondContact CB-O 3.39Å; L232-A292 HydrophobicContact CB-CB 3.94Å; L232-A292 PolarHBondContact N-O 3.22Å; L232-A292 VanDerWaalsContact N-O 3.07Å; L232-A292 PolarHBondContact O-N 3.45Å; L256-A292 HydrophobicContact CD2-CB 4.39Å |
| 293 | R | 96.9 | Very high | 96.7 | Very high | 96 Ų | 96 | 21.9 Ų | 21.9 | 36% | 0.362 | 13% | 0.134 | S | C | . | . | P | Polyproline II helix | trans | -64 | 161.9 | 169.4 | -66.1 | -59.4 | -167.2 | -169.4 | 0.9 | 110.7 | G254 A255 Y257 E273 L295 | G254-R293 WeakPolarHBondContact CA-O 3.24Å; A255-R293 HydrophobicContact CB-CG 4.24Å; A255-R293 WeakPolarHBondContact O-CB 3.28Å; A255-R293 WeakPolarHBondContact O-CG 3.27Å; A255-R293 PolarHBondContact O-N 2.63Å; Y257-R293 HydrophobicContact CD1-CG 4.19Å; E273-R293 IonicContact OE1-CZ 3.2Å; E273-R293 VanDerWaalsContact OE1-CZ 3.27Å; E273-R293 IonicContact OE1-NE 2.79Å; E273-R293 PolarHBondContact OE1-NE 3.44Å; E273-R293 IonicContact OE1-NH2 3.27Å; E273-R293 PolarHBondContact OE1-NH2 3.41Å; R293-L295 PolarHBondContact O-N 3.01Å |
| 294 | P | 97.1 | Very high | 96.7 | Very high | 69 Ų | 69 | 22.4 Ų | 22.4 | 45% | 0.448 | 14% | 0.137 | S | C | . | . | P | Polyproline II helix | trans | -53.5 | 134.9 | 171.5 | -27.7 | 34.3 | 0 | 0 | 0 | 113.3 | L230 E231 G254 | L230-P294 CarbonylContact O-C 3.58Å; L230-P294 WeakPolarHBondContact O-CA 3.38Å; E231-P294 HydrophobicContact CB-CG 4.26Å; E231-P294 WeakPolarHBondContact OE2-CG 3.34Å; G254-P294 PolarHBondContact N-O 3.4Å |
| 295 | L | 97 | Very high | 96.7 | Very high | 9 Ų | 9 | 22.5 Ų | 22.5 | 5% | 0.047 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 128.7 | 162.5 | -169.7 | 75 | 0 | 0 | 0 | 109 | L230 F251 R293 R300 | L230-L295 HydrophobicContact CD2-CB 4.35Å; L230-L295 PolarHBondContact O-N 3.49Å; F251-L295 HydrophobicContact CB-CD1 3.81Å; F251-L295 HydrophobicContact CD2-CD1 4.13Å; F251-L295 HydrophobicContact CG-CD1 4.25Å; R293-L295 PolarHBondContact O-N 3.01Å; L295-R300 HydrophobicContact CD1-CB 3.92Å |
| 296 | G | 95.5 | Very high | 96.7 | Very high | 42 Ų | 42 | 22 Ų | 22 | 43% | 0.433 | 14% | 0.136 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | -58 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | T252 | T252-G296 PolarHBondContact O-N 3.32Å |
| 297 | T | 96.3 | Very high | 96.8 | Very high | 76 Ų | 76 | 22 Ų | 22 | 47% | 0.466 | 14% | 0.136 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 162.5 | -179.2 | 62 | 0 | 0 | 0 | 0 | 111.3 | F251 T252 | F251-T297 WeakPolarHBondContact CA-O 3.37Å; F251-T297 VanDerWaalsContact CB-O 3.25Å; F251-T297 WeakPolarHBondContact CB-O 3.38Å; T252-T297 PolarHBondContact N-O 3.08Å; T252-T297 VanDerWaalsContact N-O 3.1Å; T252-T297 PolarHBondContact OG1-N 3.19Å; T252-T297 VanDerWaalsContact OG1-N 3.08Å; T252-T297 PolarHBondContact OG1-OG1 2.83Å |
| 298 | G | 95.9 | Very high | 97 | Very high | 37 Ų | 37 | 21.4 Ų | 21.4 | 38% | 0.381 | 13% | 0.13 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 79.9 | -146.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V250 | V250-G298 WeakPolarHBondContact O-CA 3.19Å |
| 299 | E | 96 | Very high | 97.2 | Very high | 38 Ų | 38 | 21.3 Ų | 21.3 | 18% | 0.178 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 140 | -175.3 | -175.8 | 177.9 | -165.4 | 0 | 0 | 109.3 | K223 Y224 A225 K249 V250 F251 W301 | K223-E299 WeakPolarHBondContact CE-OE1 3.44Å; K223-E299 IonicContact NZ-OE1 2.93Å; K223-E299 PolarHBondContact NZ-OE1 2.99Å; Y224-E299 WeakPolarHBondContact O-CA 3.33Å; A225-E299 HydrophobicContact CB-CG 4.28Å; K249-E299 HydrophobicContact CB-CB 4.4Å; K249-E299 WeakPolarHBondContact CB-O 3.39Å; K249-E299 HydrophobicContact CG-CB 4.34Å; K249-E299 HydrophobicContact CG-CG 4.38Å; V250-E299 PolarHBondContact O-N 2.75Å; F251-E299 VanDerWaalsContact CD1-O 3.31Å; F251-E299 WeakPolarHBondContact CD1-O 3.27Å; E299-W301 PolarHBondContact OE1-NE1 3.08Å |
| 300 | R | 96.1 | Very high | 97.2 | Very high | 3 Ų | 3 | 20.4 Ų | 20.4 | 1% | 0.011 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 126.7 | -178.6 | -170.2 | -169.7 | 78 | -160 | 5.7 | 110.9 | K223 Y224 F251 G254 L295 N302 | K223-R300 WeakPolarHBondContact CA-O 3.21Å; Y224-R300 PolarHBondContact N-O 3.18Å; Y224-R300 PolarHBondContact O-N 3.24Å; F251-R300 HydrophobicContact CB-CB 4.48Å; F251-R300 HydrophobicContact CD1-CB 3.94Å; F251-R300 HydrophobicContact CD1-CG 3.94Å; F251-R300 HydrophobicContact CD2-CB 4.2Å; F251-R300 HydrophobicContact CD2-CG 4.1Å; F251-R300 HydrophobicContact CE1-CB 4.23Å; F251-R300 HydrophobicContact CE1-CG 3.7Å; F251-R300 HydrophobicContact CE2-CB 4.46Å; F251-R300 HydrophobicContact CE2-CG 3.86Å; F251-R300 HydrophobicContact CG-CB 3.94Å; F251-R300 HydrophobicContact CG-CG 4.15Å; F251-R300 HydrophobicContact CZ-CB 4.49Å; F251-R300 HydrophobicContact CZ-CG 3.67Å; G254-R300 PolarHBondContact O-NH1 3.27Å; L295-R300 HydrophobicContact CD1-CB 3.92Å; R300-N302 VanDerWaalsContact CD-OD1 3.25Å; R300-N302 WeakPolarHBondContact CD-OD1 3.5Å; R300-N302 WeakPolarHBondContact CG-OD1 3.41Å; R300-N302 PolarHBondContact NE-OD1 3.32Å |
| 301 | W | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 124.1 | 176 | -68.9 | 71.1 | 0 | 0 | 0 | 110.2 | L154 L157 E158 E161 V221 V222 K223 L247 E299 | L154-W301 HydrophobicContact CD1-CB 3.76Å; L154-W301 HydrophobicContact CD1-CD2 3.58Å; L154-W301 HydrophobicContact CD1-CE3 3.99Å; L154-W301 HydrophobicContact CD1-CG 3.48Å; L154-W301 VanDerWaalsContact CD1-CG 3.48Å; L157-W301 HydrophobicContact CB-CE3 4.37Å; L157-W301 HydrophobicContact CB-CZ3 3.83Å; E158-W301 HydrophobicContact CG-CH2 3.95Å; E158-W301 HydrophobicContact CG-CZ2 3.67Å; E161-W301 HydrophobicContact CB-CH2 4.27Å; E161-W301 HydrophobicContact CG-CH2 3.7Å; E161-W301 HydrophobicContact CG-CZ3 4.19Å; V221-W301 HydrophobicContact CG1-CB 4.47Å; V221-W301 HydrophobicContact CG1-CD2 4.49Å; V221-W301 HydrophobicContact CG1-CE3 3.54Å; V221-W301 HydrophobicContact CG1-CZ3 4.25Å; V222-W301 WeakPolarHBondContact O-CA 3.38Å; K223-W301 HydrophobicContact CB-CD2 4.32Å; K223-W301 HydrophobicContact CB-CE3 4.48Å; K223-W301 HydrophobicContact CD-CH2 4.04Å; K223-W301 HydrophobicContact CD-CZ2 3.54Å; K223-W301 HydrophobicContact CG-CD2 4.37Å; K223-W301 HydrophobicContact CG-CZ2 4.09Å; L247-W301 HydrophobicContact CB-CB 4.42Å; L247-W301 PolarHBondContact N-O 3.48Å; E299-W301 PolarHBondContact OE1-NE1 3.08Å |
| 302 | N | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 126.2 | 177.9 | -70.1 | 68.3 | 0 | 0 | 0 | 111 | V221 V222 N244 V245 H276 R300 | V221-N302 CarbonylContact C-O 3.48Å; V221-N302 VanDerWaalsContact CA-O 3.27Å; V221-N302 WeakPolarHBondContact CA-O 3.15Å; V222-N302 HydrophobicContact CG2-CB 3.88Å; V222-N302 PolarHBondContact N-O 2.92Å; V222-N302 PolarHBondContact O-N 3.45Å; N244-N302 WeakPolarHBondContact OD1-CB 3.44Å; N244-N302 PolarHBondContact OD1-ND2 3.2Å; V245-N302 CarbonylContact O-C 3.53Å; V245-N302 WeakPolarHBondContact O-CA 3.47Å; H276-N302 PolarHBondContact CE1-ND2 2.94Å; H276-N302 PolarHBondContact ND1-ND2 3.07Å; R300-N302 VanDerWaalsContact CD-OD1 3.25Å; R300-N302 WeakPolarHBondContact CD-OD1 3.5Å; R300-N302 WeakPolarHBondContact CG-OD1 3.41Å; R300-N302 PolarHBondContact NE-OD1 3.32Å |
| 303 | L | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 121.1 | 164 | 171.4 | 59.6 | 0 | 0 | 0 | 108.9 | F145 L180 M190 V221 N244 V245 L247 V305 | F145-L303 HydrophobicContact CE2-CD2 3.92Å; F145-L303 HydrophobicContact CZ-CD2 4.21Å; L180-L303 HydrophobicContact CD1-CD1 3.53Å; L180-L303 HydrophobicContact CG-CD1 4.3Å; M190-L303 HydrophobicContact CE-CD2 3.91Å; M190-L303 HydrophobicContact SD-CD1 4.36Å; M190-L303 HydrophobicContact SD-CD2 4.37Å; V221-L303 HydrophobicContact CG2-CB 4.32Å; V221-L303 HydrophobicContact CG2-CD1 4.08Å; N244-L303 CarbonylContact C-O 3.34Å; N244-L303 WeakPolarHBondContact CA-O 3.45Å; V245-L303 HydrophobicContact CB-CB 4.36Å; V245-L303 PolarHBondContact N-O 3.05Å; V245-L303 PolarHBondContact O-N 2.89Å; L247-L303 HydrophobicContact CD1-CB 4.07Å; L247-L303 HydrophobicContact CD2-CB 3.96Å; L247-L303 HydrophobicContact CG-CB 4.04Å; L303-V305 HydrophobicContact CD1-CG2 4.11Å; L303-V305 HydrophobicContact CD2-CG2 4.35Å; L303-V305 HydrophobicContact CG-CG2 4.02Å |
| 304 | V | 98.7 | Very high | 97 | Very high | 11 Ų | 11 | 21.4 Ų | 21.4 | 7% | 0.067 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 128.1 | 173.9 | -176.6 | 0 | 0 | 0 | 0 | 108.7 | A219 F220 V222 T242 L243 | A219-V304 WeakPolarHBondContact CA-O 3.44Å; F220-V304 HydrophobicContact CD2-CB 4.14Å; F220-V304 HydrophobicContact CE1-CB 4.35Å; F220-V304 HydrophobicContact CE1-CG1 4.17Å; F220-V304 HydrophobicContact CE2-CB 3.67Å; F220-V304 HydrophobicContact CE2-CG1 4Å; F220-V304 HydrophobicContact CE2-CG2 4.12Å; F220-V304 HydrophobicContact CZ-CB 3.8Å; F220-V304 HydrophobicContact CZ-CG1 3.62Å; F220-V304 PolarHBondContact N-O 2.94Å; F220-V304 PolarHBondContact O-N 3.43Å; F220-V304 VanDerWaalsContact O-O 3.11Å; V222-V304 HydrophobicContact CG2-CG2 4.18Å; T242-V304 HydrophobicContact CG2-CG1 3.93Å; L243-V304 CarbonylContact O-C 3.59Å; L243-V304 WeakPolarHBondContact O-CA 3.23Å |
| 305 | V | 98.8 | Very high | 96.9 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.012 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 109.5 | 176.7 | -170.3 | 0 | 0 | 0 | 0 | 108.5 | M190 H217 A219 T242 L243 L303 L307 | M190-V305 HydrophobicContact SD-CG2 3.82Å; H217-V305 HydrophobicContact CB-CG1 4.13Å; A219-V305 HydrophobicContact CB-CG1 4.34Å; A219-V305 HydrophobicContact CB-CG2 4.18Å; T242-V305 WeakPolarHBondContact CA-O 3.19Å; L243-V305 HydrophobicContact CB-CB 4.31Å; L243-V305 HydrophobicContact CD2-CG2 4.37Å; L243-V305 PolarHBondContact N-O 3.23Å; L243-V305 PolarHBondContact O-N 3.47Å; L303-V305 HydrophobicContact CD1-CG2 4.11Å; L303-V305 HydrophobicContact CD2-CG2 4.35Å; L303-V305 HydrophobicContact CG-CG2 4.02Å; V305-L307 HydrophobicContact CG1-CD2 3.79Å; V305-L307 HydrophobicContact CG1-CG 4.17Å; V305-L307 PolarHBondContact O-N 3.44Å |
| 306 | W | 98.7 | Very high | 96.8 | Very high | 27 Ų | 27 | 31.2 Ų | 31.2 | 10% | 0.102 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 111.9 | 169 | -71.2 | -6.9 | 0 | 0 | 0 | 108.8 | N171 H217 R218 F220 D237 N238 A239 | N171-W306 HydrophobicContact CB-CH2 4.45Å; H217-W306 CarbonylContact C-O 3.48Å; H217-W306 WeakPolarHBondContact CA-O 3.25Å; H217-W306 WeakPolarHBondContact CB-O 3.5Å; R218-W306 HydrophobicContact CB-CB 4.27Å; R218-W306 HydrophobicContact CB-CE3 4.36Å; R218-W306 PolarHBondContact N-O 3.22Å; R218-W306 PolarHBondContact O-N 2.98Å; F220-W306 AromaticContact CE1-CD2 3.8Å; F220-W306 HydrophobicContact CE1-CD2 3.8Å; F220-W306 AromaticContact CE1-CE2 3.69Å; F220-W306 HydrophobicContact CE1-CE3 4.28Å; F220-W306 HydrophobicContact CE1-CG 4.14Å; F220-W306 HydrophobicContact CE1-CZ2 4.09Å; F220-W306 AromaticContact CE1-NE1 3.94Å; F220-W306 HydrophobicContact CZ-CD2 4.29Å; F220-W306 AromaticContact CZ-CE2 3.69Å; F220-W306 AromaticContact CZ-CZ2 3.87Å; F220-W306 HydrophobicContact CZ-CZ2 3.87Å; F220-W306 AromaticContact CZ-NE1 3.77Å; D237-W306 HydrophobicContact CB-CD2 4.5Å; D237-W306 HydrophobicContact CB-CZ2 4.4Å; D237-W306 PolarHBondContact OD1-NE1 2.85Å; N238-W306 HydrophobicContact CB-CE3 4.4Å; N238-W306 HydrophobicContact CB-CZ3 4.08Å; A239-W306 HydrophobicContact CB-CB 3.7Å; A239-W306 HydrophobicContact CB-CG 3.96Å |
| 307 | L | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 131.6 | -179.9 | -60 | 163.6 | 0 | 0 | 0 | 109.5 | R194 L198 M202 L214 H217 E240 L241 V305 | R194-L307 HydrophobicContact CB-CD2 4.28Å; R194-L307 HydrophobicContact CG-CD2 3.98Å; L198-L307 HydrophobicContact CB-CD1 4.4Å; L198-L307 HydrophobicContact CD1-CD1 4.17Å; L198-L307 HydrophobicContact CD1-CD2 4.11Å; M202-L307 HydrophobicContact CE-CD1 4.34Å; M202-L307 HydrophobicContact CG-CD1 4.29Å; L214-L307 HydrophobicContact CD1-CB 3.96Å; L214-L307 HydrophobicContact CD1-CD1 4.07Å; L214-L307 HydrophobicContact CD1-CG 4.44Å; L214-L307 HydrophobicContact CD2-CB 3.91Å; L214-L307 HydrophobicContact CG-CB 4.42Å; H217-L307 HydrophobicContact CB-CD2 4.39Å; E240-L307 PolarHBondContact N-O 2.99Å; L241-L307 HydrophobicContact CB-CB 4.29Å; L241-L307 HydrophobicContact CB-CD1 4.44Å; L241-L307 PolarHBondContact N-O 3.49Å; L241-L307 WeakPolarHBondContact O-CA 3.3Å; L241-L307 WeakPolarHBondContact O-CB 3.47Å; L241-L307 PolarHBondContact O-N 3.08Å; V305-L307 HydrophobicContact CG1-CD2 3.79Å; V305-L307 HydrophobicContact CG1-CG 4.17Å; V305-L307 PolarHBondContact O-N 3.44Å |
| 308 | R | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 140.8 | -167.5 | -58.5 | 179.1 | 162.3 | 166.7 | -18.1 | 111 | L214 D215 S216 N238 E240 R313 S333 D334 | L214-R308 CarbonylContact C-O 3.6Å; L214-R308 VanDerWaalsContact CA-O 3.27Å; L214-R308 WeakPolarHBondContact CA-O 3.41Å; D215-R308 PolarHBondContact N-O 3.43Å; S216-R308 PolarHBondContact N-O 3.46Å; S216-R308 PolarHBondContact O-N 3.18Å; S216-R308 VanDerWaalsContact OG-CB 3.29Å; S216-R308 WeakPolarHBondContact OG-CB 3.5Å; N238-R308 PolarHBondContact ND2-NH2 2.77Å; N238-R308 PolarHBondContact O-NE 2.92Å; N238-R308 PolarHBondContact O-NH2 3.01Å; E240-R308 WeakPolarHBondContact OE2-CA 3.36Å; R308-R313 VanDerWaalsContact CG-CZ 3.48Å; R308-R313 VanDerWaalsContact CG-NH2 3.31Å; R308-S333 PolarHBondContact NH1-O 3.42Å; R308-D334 IonicContact CZ-OD1 2.81Å; R308-D334 IonicContact NH1-OD1 3.76Å; R308-D334 IonicContact NH2-OD1 3.53Å; R308-D334 PolarHBondContact NH2-OD1 3.39Å |
| 309 | A | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -122.3 | 104.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | R213 L214 E240 A311 V312 R313 | R213-A309 VanDerWaalsContact O-CA 3.29Å; R213-A309 WeakPolarHBondContact O-CA 3.44Å; R213-A309 WeakPolarHBondContact O-CB 3.32Å; L214-A309 HydrophobicContact CD2-CB 4.26Å; E240-A309 HydrophobicContact CG-CB 4.29Å; E240-A309 PolarHBondContact OE2-N 3.24Å; A309-A311 PolarHBondContact O-N 3.26Å; A309-A311 VanDerWaalsContact O-N 3.15Å; A309-V312 HydrophobicContact CB-CB 4.4Å; A309-V312 HydrophobicContact CB-CG2 4.04Å; A309-V312 PolarHBondContact O-N 3.28Å; A309-R313 PolarHBondContact O-N 2.92Å | ||
| 310 | S | 96.8 | Very high | 96.3 | Very high | 5 Ų | 5 | 26.8 Ų | 26.8 | 4% | 0.035 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -56.5 | -33.3 | 178.2 | 76.5 | 0 | 0 | 0 | 0 | 112.3 | D215 V312 R313 N314 G335 T337 | D215-S310 PolarHBondContact OD1-N 2.75Å; D215-S310 WeakPolarHBondContact OD2-CB 3.31Å; D215-S310 PolarHBondContact OD2-N 2.95Å; D215-S310 PolarHBondContact OD2-OG 3.21Å; S310-V312 PolarHBondContact O-N 3.02Å; S310-V312 VanDerWaalsContact O-N 3.09Å; S310-R313 PolarHBondContact O-N 2.98Å; S310-N314 WeakPolarHBondContact O-CB 3.34Å; S310-N314 PolarHBondContact O-N 3.27Å; S310-N314 PolarHBondContact O-OD1 2.85Å; S310-G335 WeakPolarHBondContact CA-O 3.27Å; S310-G335 VanDerWaalsContact CB-O 3.23Å; S310-G335 WeakPolarHBondContact CB-O 3.47Å; S310-T337 VanDerWaalsContact CB-OG1 3.23Å; S310-T337 WeakPolarHBondContact CB-OG1 3.37Å; S310-T337 PolarHBondContact OG-OG1 3.49Å |
| 311 | A | 94.6 | Very high | 96.2 | Very high | 33 Ų | 33 | 31.4 Ų | 31.4 | 27% | 0.273 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -58.7 | -22.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | R213 A309 R315 | R213-A311 HydrophobicContact CB-CB 4.47Å; A309-A311 PolarHBondContact O-N 3.26Å; A309-A311 VanDerWaalsContact O-N 3.15Å; A311-R315 PolarHBondContact O-NE 2.89Å |
| 312 | V | 94.9 | Very high | 96 | Very high | 47 Ų | 47 | 35.4 Ų | 35.4 | 29% | 0.285 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -93.4 | -59.8 | 175.1 | 178.4 | 0 | 0 | 0 | 0 | 109.7 | E240 A309 S310 N314 R315 | E240-V312 HydrophobicContact CG-CB 4.04Å; E240-V312 HydrophobicContact CG-CG1 4.03Å; E240-V312 HydrophobicContact CG-CG2 4.32Å; A309-V312 HydrophobicContact CB-CB 4.4Å; A309-V312 HydrophobicContact CB-CG2 4.04Å; A309-V312 PolarHBondContact O-N 3.28Å; S310-V312 PolarHBondContact O-N 3.02Å; S310-V312 VanDerWaalsContact O-N 3.09Å; V312-N314 VanDerWaalsContact C-N 3.34Å; V312-N314 PolarHBondContact O-N 3.33Å; V312-R315 WeakPolarHBondContact O-CB 3.3Å; V312-R315 PolarHBondContact O-N 3.5Å |
| 313 | R | 95.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.4 | -23.3 | -171.2 | 63.4 | -176.7 | 60.7 | -146.3 | -11.6 | 114.6 | E240 R308 A309 S310 R315 L316 D334 G335 F336 | E240-R313 IonicContact OE1-CZ 3.84Å; E240-R313 IonicContact OE1-NE 3.57Å; E240-R313 PolarHBondContact OE1-NE 3.27Å; E240-R313 IonicContact OE1-NH2 3.91Å; E240-R313 PolarHBondContact OE1-NH2 3.41Å; E240-R313 IonicContact OE2-CZ 3.73Å; E240-R313 VanDerWaalsContact OE2-CZ 3.26Å; E240-R313 IonicContact OE2-NE 2.79Å; E240-R313 PolarHBondContact OE2-NE 2.79Å; E240-R313 IonicContact OE2-NH2 3.72Å; E240-R313 PolarHBondContact OE2-NH2 3.03Å; R308-R313 VanDerWaalsContact CG-CZ 3.48Å; R308-R313 VanDerWaalsContact CG-NH2 3.31Å; A309-R313 PolarHBondContact O-N 2.92Å; S310-R313 PolarHBondContact O-N 2.98Å; R313-R315 PolarHBondContact O-N 3.47Å; R313-R315 VanDerWaalsContact O-N 3.16Å; R313-L316 CarbonylContact O-C 3.59Å; R313-L316 PolarHBondContact O-N 2.93Å; R313-D334 WeakPolarHBondContact CD-O 3.44Å; R313-D334 PolarHBondContact NH1-O 2.94Å; R313-G335 VanDerWaalsContact CD-C 3.5Å; R313-G335 WeakPolarHBondContact CD-O 3.39Å; R313-F336 HydrophobicContact CB-CD1 4.07Å; R313-F336 HydrophobicContact CB-CE1 3.7Å; R313-F336 HydrophobicContact CB-CZ 4.25Å; R313-F336 HydrophobicContact CG-CD1 3.79Å; R313-F336 HydrophobicContact CG-CE1 3.92Å; R313-F336 HydrophobicContact CG-CG 4.27Å; R313-F336 HydrophobicContact CG-CZ 4.47Å; R313-F336 WeakPolarHBondContact O-CE1 3.41Å |
| 314 | N | 96 | Very high | 95.9 | Very high | 50 Ų | 50 | 44 Ų | 44 | 27% | 0.267 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -18.9 | 171.4 | -72.9 | 1.5 | 0 | 0 | 0 | 112.8 | S310 V312 P324 F336 T337 | S310-N314 WeakPolarHBondContact O-CB 3.34Å; S310-N314 PolarHBondContact O-N 3.27Å; S310-N314 PolarHBondContact O-OD1 2.85Å; V312-N314 VanDerWaalsContact C-N 3.34Å; V312-N314 PolarHBondContact O-N 3.33Å; N314-P324 WeakPolarHBondContact O-CD 3.26Å; N314-P324 WeakPolarHBondContact O-CG 3.34Å; N314-F336 WeakPolarHBondContact OD1-CA 3.35Å; N314-T337 PolarHBondContact ND2-O 2.91Å; N314-T337 PolarHBondContact ND2-OG1 3Å; N314-T337 PolarHBondContact OD1-N 2.96Å |
| 315 | R | 95.2 | Very high | 95.7 | Very high | 186 Ų | 186 | 48.7 Ų | 48.7 | 70% | 0.702 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -37.9 | 176.8 | -57.1 | 178.2 | -178.4 | -169.1 | -6 | 112.5 | A311 V312 R313 | A311-R315 PolarHBondContact O-NE 2.89Å; V312-R315 WeakPolarHBondContact O-CB 3.3Å; V312-R315 PolarHBondContact O-N 3.5Å; R313-R315 PolarHBondContact O-N 3.47Å; R313-R315 VanDerWaalsContact O-N 3.16Å |
| 316 | L | 94.6 | Very high | 95.6 | Very high | 98 Ų | 98 | 50.3 Ų | 50.3 | 51% | 0.513 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -153.6 | 120.2 | -176.5 | -168.1 | 73.8 | 0 | 0 | 0 | 109.5 | R313 H321 | R313-L316 CarbonylContact O-C 3.59Å; R313-L316 PolarHBondContact O-N 2.93Å; L316-H321 VanDerWaalsContact CD1-C 3.43Å; L316-H321 WeakPolarHBondContact CD1-O 3.39Å |
| 317 | C | 95.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | trans | -67.8 | 123.8 | 175.9 | 179.7 | 0 | 0 | 0 | 0 | 110.4 | C13 C15 M319 C320 H321 R322 P324 F336 | C13-C317 HydrophobicContact CB-CB 4.42Å; C15-C317 VanDerWaalsContact SG-SG 3.64Å; C317-M319 PolarHBondContact O-N 3.37Å; C317-C320 PolarHBondContact O-N 3.46Å; C317-H321 VanDerWaalsContact O-CA 3.26Å; C317-H321 WeakPolarHBondContact O-CA 3.39Å; C317-H321 PolarHBondContact O-N 3.35Å; C317-R322 WeakPolarHBondContact CB-O 3.48Å; C317-R322 PolarHBondContact N-O 3.11Å; C317-P324 HydrophobicContact CB-CB 4.25Å; C317-F336 HydrophobicContact CB-CE1 4.29Å; C317-F336 HydrophobicContact CB-CZ 4.21Å | ||
| 318 | P | 92.6 | Very high | 95.1 | Very high | 22 Ų | 22 | 54.3 Ų | 54.3 | 14% | 0.143 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -17.5 | 179.8 | 28.6 | -35.7 | 0 | 0 | 0 | 112.9 | Y236 H321 | Y236-P318 PolarHBondContact OH-O 3.47Å; P318-H321 PolarHBondContact O-CD2 2.84Å; P318-H321 VanDerWaalsContact O-CD2 3.3Å; P318-H321 PolarHBondContact O-NE2 3.05Å |
| 319 | M | 92.6 | Very high | 94.7 | Very high | 59 Ų | 59 | 55.8 Ų | 55.8 | 29% | 0.291 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -34.7 | -178.1 | -58.2 | -53 | -57.6 | 0 | 0 | 113.5 | N20 Y236 N238 C317 | N20-M319 PolarHBondContact ND2-O 2.93Å; Y236-M319 HydrophobicContact CE2-SD 4.18Å; N238-M319 HydrophobicContact CB-SD 3.96Å; C317-M319 PolarHBondContact O-N 3.37Å |
| 320 | C | 93.9 | Very high | 94.1 | Very high | 18 Ų | 18 | 61.4 Ų | 61.4 | 12% | 0.122 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.9 | -1.7 | -175.2 | 77.8 | 0 | 0 | 0 | 0 | 115 | C15 C317 R322 | C15-C320 HydrophobicContact CB-CB 3.56Å; C317-C320 PolarHBondContact O-N 3.46Å; C320-R322 PolarHBondContact O-N 2.84Å |
| 321 | H | 92.8 | Very high | 93.7 | Very high | 100 Ų | 100 | 64.3 Ų | 64.3 | 46% | 0.463 | 34% | 0.336 | S | S | . | . | S | Bend | trans | 55.2 | 36.7 | 175 | -53.5 | -174.4 | 0 | 0 | 0 | 113.1 | F262 L316 C317 P318 | F262-H321 AromaticContact CE2-CE1 3.52Å; F262-H321 AromaticContact CE2-NE2 3.3Å; F262-H321 VanDerWaalsContact CE2-NE2 3.3Å; F262-H321 WeakPolarHBondContact CE2-NE2 3.38Å; L316-H321 VanDerWaalsContact CD1-C 3.43Å; L316-H321 WeakPolarHBondContact CD1-O 3.39Å; C317-H321 VanDerWaalsContact O-CA 3.26Å; C317-H321 WeakPolarHBondContact O-CA 3.39Å; C317-H321 PolarHBondContact O-N 3.35Å; P318-H321 PolarHBondContact O-CD2 2.84Å; P318-H321 VanDerWaalsContact O-CD2 3.3Å; P318-H321 PolarHBondContact O-NE2 3.05Å |
| 322 | R | 94.7 | Very high | 93.6 | Very high | 84 Ų | 84 | 64.6 Ų | 64.6 | 32% | 0.317 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -130.7 | 163.9 | 176 | -69.3 | 174.2 | -73.5 | -178.1 | 2.4 | 108.9 | D19 C317 C320 | D19-R322 VanDerWaalsContact CG-NH2 3.34Å; D19-R322 IonicContact OD1-NH2 2.6Å; D19-R322 PolarHBondContact OD1-NH2 3.15Å; D19-R322 IonicContact OD2-NH2 3.3Å; D19-R322 PolarHBondContact OD2-NH2 3.02Å; C317-R322 WeakPolarHBondContact CB-O 3.48Å; C317-R322 PolarHBondContact N-O 3.11Å; C320-R322 PolarHBondContact O-N 2.84Å |
| 323 | E | 96.3 | Very high | 93.4 | Very high | 164 Ų | 164 | 63.3 Ų | 63.3 | 77% | 0.766 | 32% | 0.324 | S | S | * | . | trans | -52 | 129.9 | 165 | -171.5 | 174.4 | 176.3 | 0 | 0 | 108.8 | D325 | E323-D325 PolarHBondContact O-N 3.2Š| ||
| 324 | P | 96.7 | Very high | 93.4 | Very high | 16 Ų | 16 | 64 Ų | 64 | 10% | 0.104 | 33% | 0.328 | C | S | . | . | trans | -72 | 131 | -172.1 | 28.9 | -34.5 | 0 | 0 | 0 | 111.5 | C13 N314 C317 L326 F336 | C13-P324 HydrophobicContact CB-CB 4.13Å; N314-P324 WeakPolarHBondContact O-CD 3.26Å; N314-P324 WeakPolarHBondContact O-CG 3.34Å; C317-P324 HydrophobicContact CB-CB 4.25Å; P324-L326 HydrophobicContact CB-CD2 3.81Å; P324-L326 HydrophobicContact CG-CD2 4.08Å; P324-L326 PolarHBondContact O-N 3.35Å; P324-F336 HydrophobicContact CB-CD1 3.77Å; P324-F336 HydrophobicContact CB-CE1 3.64Å; P324-F336 HydrophobicContact CB-CZ 4.46Å; P324-F336 HydrophobicContact CG-CD1 3.89Å; P324-F336 HydrophobicContact CG-CE1 4Å | ||
| 325 | D | 96.5 | Very high | 93.4 | Very high | 110 Ų | 110 | 61.7 Ų | 61.7 | 59% | 0.588 | 32% | 0.315 | S | S | * | . | trans | -86 | 103.3 | 168.8 | -179 | 15.7 | 0 | 0 | 0 | 108.5 | C13 A14 E323 | C13-D325 CarbonylContact C-O 3.45Å; C13-D325 WeakPolarHBondContact CA-O 3.23Å; A14-D325 HydrophobicContact CB-CB 3.98Å; A14-D325 WeakPolarHBondContact CB-OD2 3.36Å; A14-D325 PolarHBondContact N-O 3.32Å; E323-D325 PolarHBondContact O-N 3.2Å | ||
| 326 | L | 96.2 | Very high | 93.5 | Very high | 36 Ų | 36 | 52.9 Ų | 52.9 | 19% | 0.188 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 120.9 | -166 | -61.5 | -176.5 | 0 | 0 | 0 | 112.6 | C11 R12 P324 F336 T337 R338 | C11-L326 HydrophobicContact CB-CB 4.13Å; C11-L326 HydrophobicContact CB-CD2 4.17Å; R12-L326 WeakPolarHBondContact O-CA 3.24Å; P324-L326 HydrophobicContact CB-CD2 3.81Å; P324-L326 HydrophobicContact CG-CD2 4.08Å; P324-L326 PolarHBondContact O-N 3.35Å; L326-F336 HydrophobicContact CD2-CB 3.44Å; L326-F336 VanDerWaalsContact CD2-CB 3.44Å; L326-F336 HydrophobicContact CD2-CD1 3.99Å; L326-F336 HydrophobicContact CD2-CG 3.8Å; L326-T337 WeakPolarHBondContact CD1-O 3.49Å; L326-R338 HydrophobicContact CD1-CB 4.01Å; L326-R338 PolarHBondContact O-NH1 2.91Å |
| 327 | V | 94.9 | Very high | 93.6 | Very high | 41 Ų | 41 | 48.9 Ų | 48.9 | 25% | 0.248 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 144.9 | 173.5 | -67.5 | 0 | 0 | 0 | 0 | 110.5 | C11 R12 A14 Y17 | C11-V327 WeakPolarHBondContact CA-O 3.29Å; C11-V327 VanDerWaalsContact CB-O 3.31Å; C11-V327 WeakPolarHBondContact CB-O 3.4Å; R12-V327 HydrophobicContact CB-CG2 4.13Å; R12-V327 HydrophobicContact CG-CG2 3.76Å; R12-V327 PolarHBondContact N-O 3.16Å; R12-V327 WeakPolarHBondContact O-CG2 3.09Å; R12-V327 PolarHBondContact O-N 3.31Å; A14-V327 HydrophobicContact CB-CG1 3.91Å; Y17-V327 HydrophobicContact CE2-CG2 3.95Å |
| 328 | D | 91.6 | Very high | 93.4 | Very high | 70 Ų | 70 | 54 Ų | 54 | 37% | 0.374 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 144.7 | 179.4 | -70.2 | 1 | 0 | 0 | 0 | 111 | R9 R338 | R9-D328 VanDerWaalsContact CZ-CG 3.4Å; R9-D328 IonicContact CZ-OD2 3.94Å; R9-D328 IonicContact NE-OD2 3.1Å; R9-D328 IonicContact NH1-OD1 2.89Å; R9-D328 IonicContact NH1-OD2 3.43Å; R9-D328 PolarHBondContact NH1-OD2 3.3Å; R9-D328 IonicContact NH2-OD2 3.97Å; R9-D328 PolarHBondContact NH2-OD2 2.71Å; D328-R338 IonicContact OD1-CZ 3.04Å; D328-R338 IonicContact OD1-NH2 3.55Å; D328-R338 PolarHBondContact OD1-NH2 2.89Å |
| 329 | D | 88.7 | Confident | 93.1 | Very high | 31 Ų | 31 | 59.5 Ų | 59.5 | 17% | 0.166 | 31% | 0.305 | C | S | . | . | trans | -158.4 | 178.3 | 177.4 | -164.7 | 5.8 | 0 | 0 | 0 | 108.5 | R12 S333 | R12-D329 HydrophobicContact CB-CB 4.48Å; R12-D329 IonicContact CZ-OD2 2.75Å; R12-D329 IonicContact NE-OD2 3.74Å; R12-D329 IonicContact NH1-OD2 3.26Å; R12-D329 IonicContact NH2-OD2 2.7Å; D329-S333 WeakPolarHBondContact CB-OG 3.29Å; D329-S333 VanDerWaalsContact CG-OG 3.26Å; D329-S333 WeakPolarHBondContact OD2-CB 3.46Å; D329-S333 PolarHBondContact OD2-OG 2.99Å | ||
| 330 | E | 85.9 | Confident | 92 | Very high | 118 Ų | 118 | 60.3 Ų | 60.3 | 55% | 0.551 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -94.8 | 155.7 | -175.9 | -65.3 | -168.7 | -170.3 | 0 | 0 | 114.1 | A79 F332 S333 | A79-E330 WeakPolarHBondContact CB-OE2 3.33Å; E330-F332 PolarHBondContact O-N 3.23Å; E330-S333 PolarHBondContact O-N 2.73Å |
| 331 | G | 88.2 | Confident | 90.4 | Very high | 66 Ų | 66 | 64.9 Ų | 64.9 | 68% | 0.68 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | -136.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F10 S333 | F10-G331 VanDerWaalsContact CB-O 3.26Å; F10-G331 WeakPolarHBondContact CB-O 3.45Å; G331-S333 VanDerWaalsContact C-N 3.31Å |
| 332 | F | 93 | Very high | 88.7 | Confident | 40 Ų | 40 | 65.1 Ų | 65.1 | 18% | 0.175 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -10 | 173.8 | -70.6 | -44.9 | 0 | 0 | 0 | 114.2 | F10 H217 E330 D334 G335 | F10-F332 HydrophobicContact CD1-CD1 4.35Å; F10-F332 AromaticContact CD2-CD1 3.72Å; F10-F332 HydrophobicContact CD2-CD1 3.72Å; F10-F332 HydrophobicContact CD2-CE1 4.22Å; F10-F332 HydrophobicContact CE1-CD1 4.17Å; F10-F332 AromaticContact CE2-CD1 3.5Å; F10-F332 HydrophobicContact CE2-CD1 3.5Å; F10-F332 AromaticContact CE2-CE1 3.63Å; F10-F332 HydrophobicContact CE2-CE1 3.63Å; F10-F332 HydrophobicContact CG-CD1 4.15Å; F10-F332 AromaticContact CZ-CD1 3.74Å; F10-F332 HydrophobicContact CZ-CD1 3.74Å; F10-F332 AromaticContact CZ-CE1 3.95Å; F10-F332 HydrophobicContact CZ-CE1 3.95Å; H217-F332 AromaticContact CE1-CD2 3.96Å; H217-F332 AromaticContact CE1-CE2 3.35Å; H217-F332 WeakPolarHBondContact CE1-CE2 3.32Å; H217-F332 AromaticContact ND1-CD2 3.98Å; H217-F332 AromaticContact ND1-CE2 3.62Å; E330-F332 PolarHBondContact O-N 3.23Å; F332-D334 PolarHBondContact O-N 3.44Å; F332-G335 WeakPolarHBondContact O-CA 3.45Å; F332-G335 PolarHBondContact O-N 3.37Å |
| 333 | S | 91.4 | Very high | 86.8 | Confident | 20 Ų | 20 | 67.6 Ų | 67.6 | 14% | 0.14 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 41.6 | -123.4 | -177.3 | -177.6 | 0 | 0 | 0 | 0 | 113.2 | R12 R308 D329 E330 G331 | R12-S333 WeakPolarHBondContact CB-OG 3.49Å; R308-S333 PolarHBondContact NH1-O 3.42Å; D329-S333 WeakPolarHBondContact CB-OG 3.29Å; D329-S333 VanDerWaalsContact CG-OG 3.26Å; D329-S333 WeakPolarHBondContact OD2-CB 3.46Å; D329-S333 PolarHBondContact OD2-OG 2.99Å; E330-S333 PolarHBondContact O-N 2.73Å; G331-S333 VanDerWaalsContact C-N 3.31Å |
| 334 | D | 94.7 | Very high | 84.5 | Confident | 15 Ų | 15 | 65.5 Ų | 65.5 | 8% | 0.08 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 18.6 | 172.6 | -72.8 | -45.2 | 0 | 0 | 0 | 112.9 | R12 N238 R308 R313 F332 F336 | R12-D334 HydrophobicContact CB-CB 4.33Å; R12-D334 IonicContact CZ-OD2 4Å; R12-D334 IonicContact NE-OD2 3.24Å; R12-D334 PolarHBondContact NE-OD2 3.09Å; R12-D334 IonicContact NH2-OD1 3.4Å; R12-D334 IonicContact NH2-OD2 3.39Å; R12-D334 PolarHBondContact NH2-OD2 3.38Å; N238-D334 PolarHBondContact ND2-OD1 3.49Å; R308-D334 IonicContact CZ-OD1 2.81Å; R308-D334 IonicContact NH1-OD1 3.76Å; R308-D334 IonicContact NH2-OD1 3.53Å; R308-D334 PolarHBondContact NH2-OD1 3.39Å; R313-D334 WeakPolarHBondContact CD-O 3.44Å; R313-D334 PolarHBondContact NH1-O 2.94Å; F332-D334 PolarHBondContact O-N 3.44Å; D334-F336 VanDerWaalsContact C-N 3.26Å; D334-F336 HydrophobicContact CB-CD2 3.93Å; D334-F336 HydrophobicContact CB-CE2 3.81Å; D334-F336 WeakPolarHBondContact O-CD2 3.5Å; D334-F336 PolarHBondContact O-N 2.87Å |
| 335 | G | 95.8 | Very high | 82 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 40% | 0.401 | C | S | . | . | S | Bend | trans | 73.7 | 6.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | S216 S310 R313 F332 | S216-G335 VanDerWaalsContact OG-CA 3.23Å; S216-G335 WeakPolarHBondContact OG-CA 3.35Å; S310-G335 WeakPolarHBondContact CA-O 3.27Å; S310-G335 VanDerWaalsContact CB-O 3.23Å; S310-G335 WeakPolarHBondContact CB-O 3.47Å; R313-G335 VanDerWaalsContact CD-C 3.5Å; R313-G335 WeakPolarHBondContact CD-O 3.39Å; F332-G335 WeakPolarHBondContact O-CA 3.45Å; F332-G335 PolarHBondContact O-N 3.37Å |
| 336 | F | 97.1 | Very high | 79.8 | Confident | 2 Ų | 2 | 72.7 Ų | 72.7 | 1% | 0.009 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 156.1 | 170.2 | -58.6 | -91.7 | 0 | 0 | 0 | 109.3 | F10 C11 C13 R313 N314 C317 P324 L326 D334 | F10-F336 CarbonylContact C-O 3.55Å; F10-F336 WeakPolarHBondContact CA-O 3.47Å; F10-F336 WeakPolarHBondContact CD1-O 3.35Å; C11-F336 HydrophobicContact CB-CB 4.24Å; C11-F336 PolarHBondContact N-O 3.41Å; C11-F336 WeakPolarHBondContact O-CB 3.34Å; C11-F336 PolarHBondContact O-N 2.96Å; C13-F336 HydrophobicContact CB-CD2 4.5Å; C13-F336 HydrophobicContact CB-CE1 4.47Å; C13-F336 HydrophobicContact CB-CE2 3.92Å; C13-F336 HydrophobicContact CB-CZ 3.91Å; R313-F336 HydrophobicContact CB-CD1 4.07Å; R313-F336 HydrophobicContact CB-CE1 3.7Å; R313-F336 HydrophobicContact CB-CZ 4.25Å; R313-F336 HydrophobicContact CG-CD1 3.79Å; R313-F336 HydrophobicContact CG-CE1 3.92Å; R313-F336 HydrophobicContact CG-CG 4.27Å; R313-F336 HydrophobicContact CG-CZ 4.47Å; R313-F336 WeakPolarHBondContact O-CE1 3.41Å; N314-F336 WeakPolarHBondContact OD1-CA 3.35Å; C317-F336 HydrophobicContact CB-CE1 4.29Å; C317-F336 HydrophobicContact CB-CZ 4.21Å; P324-F336 HydrophobicContact CB-CD1 3.77Å; P324-F336 HydrophobicContact CB-CE1 3.64Å; P324-F336 HydrophobicContact CB-CZ 4.46Å; P324-F336 HydrophobicContact CG-CD1 3.89Å; P324-F336 HydrophobicContact CG-CE1 4Å; L326-F336 HydrophobicContact CD2-CB 3.44Å; L326-F336 VanDerWaalsContact CD2-CB 3.44Å; L326-F336 HydrophobicContact CD2-CD1 3.99Å; L326-F336 HydrophobicContact CD2-CG 3.8Å; D334-F336 VanDerWaalsContact C-N 3.26Å; D334-F336 HydrophobicContact CB-CD2 3.93Å; D334-F336 HydrophobicContact CB-CE2 3.81Å; D334-F336 WeakPolarHBondContact O-CD2 3.5Å; D334-F336 PolarHBondContact O-N 2.87Å |
| 337 | T | 95.8 | Very high | 77.5 | Confident | 13 Ų | 13 | 76.5 Ų | 76.5 | 8% | 0.08 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 146.5 | 176.8 | 56.5 | 0 | 0 | 0 | 0 | 112.1 | R9 F10 S310 N314 L326 | R9-T337 VanDerWaalsContact O-CA 3.28Å; R9-T337 WeakPolarHBondContact O-CA 3.18Å; F10-T337 HydrophobicContact CD1-CG2 3.51Å; F10-T337 HydrophobicContact CE1-CG2 3.42Å; F10-T337 VanDerWaalsContact CE1-CG2 3.42Å; F10-T337 HydrophobicContact CG-CG2 4.17Å; F10-T337 HydrophobicContact CZ-CG2 4.02Å; S310-T337 VanDerWaalsContact CB-OG1 3.23Å; S310-T337 WeakPolarHBondContact CB-OG1 3.37Å; S310-T337 PolarHBondContact OG-OG1 3.49Å; N314-T337 PolarHBondContact ND2-O 2.91Å; N314-T337 PolarHBondContact ND2-OG1 3Å; N314-T337 PolarHBondContact OD1-N 2.96Å; L326-T337 WeakPolarHBondContact CD1-O 3.49Å |
| 338 | R | 92.5 | Very high | 75.3 | Confident | 108 Ų | 108 | 78.9 Ų | 78.9 | 41% | 0.408 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 139.6 | 166.2 | -173.2 | 170.9 | 63.3 | -139.1 | -7.9 | 108.5 | R9 L326 D328 | R9-R338 PolarHBondContact N-O 3.1Å; R9-R338 VanDerWaalsContact N-O 3.12Å; R9-R338 PolarHBondContact O-N 3.47Å; L326-R338 HydrophobicContact CD1-CB 4.01Å; L326-R338 PolarHBondContact O-NH1 2.91Å; D328-R338 IonicContact OD1-CZ 3.04Å; D328-R338 IonicContact OD1-NH2 3.55Å; D328-R338 PolarHBondContact OD1-NH2 2.89Å |
| 339 | E | 85.4 | Confident | 73 | Confident | 139 Ų | 139 | 83.7 Ų | 83.7 | 65% | 0.65 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 130.3 | 171.4 | -63.6 | -172.6 | 165.4 | 0 | 0 | 108.9 | ||
| 340 | E | 69.4 | Low | 70.8 | Confident | 76 Ų | 76 | 92.7 Ų | 92.7 | 36% | 0.355 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 139.1 | 170.2 | -66.2 | -167.2 | 153.3 | 0 | 0 | 109.6 | A6 P7 R9 T342 | A6-E340 WeakPolarHBondContact CB-O 3.49Å; P7-E340 HydrophobicContact CG-CB 4.21Å; P7-E340 WeakPolarHBondContact O-CB 3.26Å; P7-E340 PolarHBondContact O-N 2.8Å; R9-E340 HydrophobicContact CB-CG 4.06Å; R9-E340 WeakPolarHBondContact CD-OE1 3.42Å; E340-T342 PolarHBondContact O-N 3.03Å |
| 341 | P | 61.5 | Low | 70 | Confident | 113 Ų | 113 | 91.5 Ų | 91.5 | 73% | 0.734 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 133.9 | 169.2 | -17.1 | 28.5 | 0 | 0 | 0 | 108.9 | T343 | P341-T343 PolarHBondContact O-N 2.97Š|
| 342 | T | 57 | Low | 69.1 | Low | 106 Ų | 106 | 92.8 Ų | 92.8 | 65% | 0.65 | 54% | 0.537 | S | S | * | . | trans | -59.5 | 106.2 | 170 | 44.5 | 0 | 0 | 0 | 0 | 108.7 | A6 E340 V344 | A6-T342 HydrophobicContact CB-CG2 4.31Å; E340-T342 PolarHBondContact O-N 3.03Å; T342-V344 PolarHBondContact O-N 3.01Å | ||
| 343 | T | 53.8 | Low | 67.7 | Low | 136 Ų | 136 | 95.7 Ų | 95.7 | 83% | 0.834 | 56% | 0.557 | S | S | * | * | trans | -66.2 | 103.1 | 171 | 50.4 | 0 | 0 | 0 | 0 | 107.6 | P341 D345 | P341-T343 PolarHBondContact O-N 2.97Å; T343-D345 PolarHBondContact O-N 3.3Å | ||
| 344 | V | 48.2 | Very low | 66.3 | Low | 120 Ų | 120 | 100.2 Ų | 100.2 | 73% | 0.727 | 58% | 0.581 | S | S | * | * | trans | -73.4 | 114.5 | 167.6 | -159.8 | 0 | 0 | 0 | 0 | 105.3 | T342 V346 | T342-V344 PolarHBondContact O-N 3.01Å; V344-V346 VanDerWaalsContact C-N 3.33Å; V344-V346 HydrophobicContact CB-CG2 4.46Å; V344-V346 WeakPolarHBondContact O-CG2 3.33Å; V344-V346 PolarHBondContact O-N 3.08Å | ||
| 345 | D | 44.8 | Very low | 64.6 | Low | 147 Ų | 147 | 105.5 Ų | 105.5 | 79% | 0.786 | 61% | 0.613 | S | S | * | * | trans | -70.8 | 91.3 | -179.7 | -149 | -9.4 | 0 | 0 | 0 | 108.5 | T343 C347 | T343-D345 PolarHBondContact O-N 3.3Å; D345-C347 PolarHBondContact O-N 2.9Å; D345-C347 VanDerWaalsContact O-N 3.08Å | ||
| 346 | V | 49.2 | Very low | 62.5 | Low | 129 Ų | 129 | 112.5 Ų | 112.5 | 78% | 0.782 | 65% | 0.654 | S | S | * | * | trans | -85.1 | 54.1 | 179.7 | -159.4 | 0 | 0 | 0 | 0 | 109.6 | V344 | V344-V346 VanDerWaalsContact C-N 3.33Å; V344-V346 HydrophobicContact CB-CG2 4.46Å; V344-V346 WeakPolarHBondContact O-CG2 3.33Å; V344-V346 PolarHBondContact O-N 3.08Å | ||
| 347 | C | 49.2 | Very low | 60 | Low | 116 Ų | 116 | 120.4 Ų | 120.4 | 78% | 0.784 | 70% | 0.7 | S | S | * | * | trans | -142.5 | 63 | 175.6 | -89.1 | 0 | 0 | 0 | 0 | 111 | D345 | D345-C347 PolarHBondContact O-N 2.9Å; D345-C347 VanDerWaalsContact O-N 3.08Å | ||
| 348 | A | 48.6 | Very low | 57.3 | Low | 92 Ų | 92 | 128.7 Ų | 128.7 | 76% | 0.76 | 75% | 0.747 | S | S | * | * | trans | -148.9 | 75.4 | 159 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 349 | L | 43.1 | Very low | 54.3 | Low | 171 Ų | 171 | 130.4 Ų | 130.4 | 90% | 0.895 | 78% | 0.776 | S | S | * | * | trans | -167.9 | 83.1 | 158.6 | -102.6 | 165 | 0 | 0 | 0 | 108.7 | ||||
| 350 | T | 41.9 | Very low | 51.5 | Low | 220 Ų | 220 | 129.6 Ų | 129.6 | 100% | 1.35 | 79% | 0.787 | S | S | * | * | trans | -147.7 | 0 | 145.9 | 52.8 | 0 | 0 | 0 | 0 | 109 |
Retrieved 350 of 350 residues in 1738.7 ms
(Link to these results)