| 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 | 46.9 | Very low | 87.3 | Confident | 243 Ų | 243 | 97.2 Ų | 97.2 | 100% | 1.197 | 51% | 0.513 | S | S | * | . | 0 | 122.1 | 0 | -65.6 | 175.9 | -169.3 | 0 | 0 | 106.2 | |||||
| 2 | S | 60.4 | Low | 88 | Confident | 116 Ų | 116 | 94.2 Ų | 94.2 | 81% | 0.811 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -61 | 139 | 172.5 | 47 | 0 | 0 | 0 | 0 | 108.8 | ||
| 3 | S | 83.6 | Confident | 88.8 | Confident | 111 Ų | 111 | 87.5 Ų | 87.5 | 78% | 0.776 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 141.8 | 173.4 | 49.7 | 0 | 0 | 0 | 0 | 110.1 | ||
| 4 | R | 92.3 | Very high | 89.5 | Confident | 32 Ų | 32 | 82.8 Ų | 82.8 | 12% | 0.121 | 46% | 0.464 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 147.6 | 170 | -75.4 | -176.1 | -177.8 | -99.8 | 1.9 | 110.6 | D140 R141 N143 Q146 E148 | R4-D140 PolarHBondContact NH1-O 3.01Å; R4-D140 PolarHBondContact NH2-O 3.03Å; R4-R141 PolarHBondContact NH2-O 3.34Å; R4-N143 PolarHBondContact NH1-O 3.46Å; R4-Q146 WeakPolarHBondContact CD-O 3.43Å; R4-Q146 PolarHBondContact NH1-O 3.16Å; R4-E148 WeakPolarHBondContact CD-OE2 3.46Å; R4-E148 IonicContact NE-OE2 3.01Å; R4-E148 PolarHBondContact NE-OE2 3.31Å |
| 5 | P | 93.6 | Very high | 90 | Very high | 32 Ų | 32 | 77.4 Ų | 77.4 | 21% | 0.208 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 154.5 | -178.2 | 26.7 | -34.4 | 0 | 0 | 0 | 112.1 | T16 V145 Q146 P147 | P5-T16 HydrophobicContact CB-CG2 4.11Å; P5-T16 HydrophobicContact CG-CG2 4.26Å; P5-V145 WeakPolarHBondContact CG-O 3.4Å; P5-Q146 WeakPolarHBondContact CD-O 3.27Å; P5-P147 VanDerWaalsContact O-CA 3.23Å; P5-P147 WeakPolarHBondContact O-CA 3.26Å; P5-P147 WeakPolarHBondContact O-CB 3.31Å |
| 6 | Q | 95.3 | Very high | 90.5 | Very high | 148 Ų | 148 | 72.6 Ų | 72.6 | 69% | 0.692 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -100.3 | 148.5 | 172.4 | -64.5 | -63.8 | -31.8 | 0 | 0 | 109.8 | ||
| 7 | L | 97.2 | Very high | 90.8 | Very high | 45 Ų | 45 | 74.1 Ų | 74.1 | 24% | 0.236 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 145.2 | 170 | -67.8 | 170.9 | 0 | 0 | 0 | 109.7 | A14 M15 T16 P147 Q163 L165 | L7-A14 HydrophobicContact CD1-CB 4.47Å; L7-A14 HydrophobicContact CD2-CB 4.44Å; L7-M15 VanDerWaalsContact CA-O 3.31Å; L7-M15 WeakPolarHBondContact CA-O 3.46Å; L7-T16 HydrophobicContact CD2-CG2 3.86Å; L7-P147 HydrophobicContact CD2-CG 3.88Å; L7-P147 HydrophobicContact CG-CG 3.8Å; L7-Q163 VanDerWaalsContact CD1-O 3.26Å; L7-Q163 WeakPolarHBondContact CD1-O 3.31Å; L7-L165 HydrophobicContact CD2-CB 4.1Å; L7-L165 HydrophobicContact CD2-CD1 4.22Å |
| 8 | Y | 97.8 | Very high | 91 | Very high | 75 Ų | 75 | 70.8 Ų | 70.8 | 29% | 0.294 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 161.1 | 169.7 | 69.6 | -87.1 | 0 | 0 | 0 | 110.4 | F10 A14 M15 H17 T20 | Y8-F10 HydrophobicContact CD2-CB 4.45Å; Y8-F10 HydrophobicContact CE2-CB 3.95Å; Y8-F10 AromaticContact CE2-CD2 3.97Å; Y8-F10 HydrophobicContact CE2-CD2 3.97Å; Y8-F10 HydrophobicContact CE2-CG 4.41Å; Y8-F10 PolarHBondContact O-N 3.45Å; Y8-A14 WeakPolarHBondContact O-CA 3.47Å; Y8-M15 WeakPolarHBondContact CD1-O 3.13Å; Y8-M15 PolarHBondContact N-O 3.29Å; Y8-M15 PolarHBondContact O-N 3.48Å; Y8-H17 AromaticContact CE1-CE1 3.92Å; Y8-H17 AromaticContact CE1-NE2 3.83Å; Y8-T20 VanDerWaalsContact OH-CB 3.23Å; Y8-T20 WeakPolarHBondContact OH-CB 3.38Å; Y8-T20 PolarHBondContact OH-OG1 2.95Å |
| 9 | D | 98 | Very high | 91.3 | Very high | 115 Ų | 115 | 67.3 Ų | 67.3 | 62% | 0.615 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 121.2 | 176.5 | -172.3 | -89.5 | 0 | 0 | 0 | 110.6 | G12 | D9-G12 PolarHBondContact OD1-N 3.1Å; D9-G12 WeakPolarHBondContact OD2-CA 3.46Å; D9-G12 PolarHBondContact OD2-N 3.06Å |
| 10 | F | 98.1 | Very high | 91.6 | Very high | 28 Ų | 28 | 64.5 Ų | 64.5 | 12% | 0.123 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 99.5 | 175.4 | -174.2 | -102.7 | 0 | 0 | 0 | 109.2 | Y8 G12 V13 M15 T20 W23 L110 | Y8-F10 HydrophobicContact CD2-CB 4.45Å; Y8-F10 HydrophobicContact CE2-CB 3.95Å; Y8-F10 AromaticContact CE2-CD2 3.97Å; Y8-F10 HydrophobicContact CE2-CD2 3.97Å; Y8-F10 HydrophobicContact CE2-CG 4.41Å; Y8-F10 PolarHBondContact O-N 3.45Å; F10-G12 VanDerWaalsContact C-N 3.28Å; F10-G12 PolarHBondContact O-N 3.15Å; F10-V13 PolarHBondContact N-O 2.9Å; F10-V13 PolarHBondContact O-N 3.18Å; F10-V13 VanDerWaalsContact O-N 3.13Å; F10-M15 HydrophobicContact CB-CB 3.73Å; F10-M15 HydrophobicContact CB-CG 3.7Å; F10-M15 HydrophobicContact CD1-CG 4.05Å; F10-M15 HydrophobicContact CG-CB 4.39Å; F10-M15 HydrophobicContact CG-CG 4.23Å; F10-T20 HydrophobicContact CB-CG2 4.39Å; F10-T20 HydrophobicContact CD1-CG2 3.77Å; F10-T20 HydrophobicContact CD2-CG2 3.92Å; F10-T20 HydrophobicContact CE1-CG2 3.93Å; F10-T20 HydrophobicContact CE2-CG2 4.09Å; F10-T20 HydrophobicContact CG-CG2 3.74Å; F10-T20 HydrophobicContact CZ-CG2 4.08Å; F10-W23 AromaticContact CE1-CD2 3.76Å; F10-W23 HydrophobicContact CE1-CD2 3.76Å; F10-W23 AromaticContact CE1-CE2 3.74Å; F10-W23 HydrophobicContact CE1-CE3 4.1Å; F10-W23 HydrophobicContact CE1-CG 4.15Å; F10-W23 HydrophobicContact CE1-CH2 4.43Å; F10-W23 HydrophobicContact CE1-CZ2 4.09Å; F10-W23 HydrophobicContact CE1-CZ3 4.43Å; F10-W23 HydrophobicContact CE2-CG 4.46Å; F10-W23 HydrophobicContact CZ-CB 4.11Å; F10-W23 AromaticContact CZ-CD1 3.52Å; F10-W23 AromaticContact CZ-CD2 3.6Å; F10-W23 HydrophobicContact CZ-CD2 3.6Å; F10-W23 AromaticContact CZ-CE2 3.68Å; F10-W23 HydrophobicContact CZ-CE3 4.32Å; F10-W23 AromaticContact CZ-CG 3.48Å; F10-W23 HydrophobicContact CZ-CG 3.48Å; F10-W23 VanDerWaalsContact CZ-CG 3.48Å; F10-W23 HydrophobicContact CZ-CZ2 4.45Å; F10-W23 AromaticContact CZ-NE1 3.55Å; F10-L110 HydrophobicContact CD1-CD1 4.45Å |
| 11 | H | 96.7 | Very high | 91.8 | Very high | 124 Ų | 124 | 66.4 Ų | 66.4 | 57% | 0.574 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 41.4 | -175.7 | -56.2 | -56.3 | 0 | 0 | 0 | 112.9 | V13 W23 L110 | H11-V13 VanDerWaalsContact C-N 3.34Å; H11-W23 AromaticContact NE2-NE1 3.77Å; H11-L110 HydrophobicContact CB-CD2 4.13Å |
| 12 | G | 96.6 | Very high | 94.1 | Very high | 61 Ų | 61 | 56.5 Ų | 56.5 | 63% | 0.629 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | 10.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | D9 F10 | D9-G12 PolarHBondContact OD1-N 3.1Å; D9-G12 WeakPolarHBondContact OD2-CA 3.46Å; D9-G12 PolarHBondContact OD2-N 3.06Å; F10-G12 VanDerWaalsContact C-N 3.28Å; F10-G12 PolarHBondContact O-N 3.15Å |
| 13 | V | 98 | Very high | 95.9 | Very high | 8 Ų | 8 | 52.1 Ų | 52.1 | 5% | 0.048 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 132.1 | 179.7 | -173 | 0 | 0 | 0 | 0 | 109.4 | F10 H11 M15 P107 L110 Y166 | F10-V13 PolarHBondContact N-O 2.9Å; F10-V13 PolarHBondContact O-N 3.18Å; F10-V13 VanDerWaalsContact O-N 3.13Å; H11-V13 VanDerWaalsContact C-N 3.34Å; V13-M15 HydrophobicContact CB-CE 4.12Å; V13-M15 HydrophobicContact CB-CG 4.45Å; V13-M15 HydrophobicContact CG1-CE 3.63Å; V13-M15 HydrophobicContact CG1-CG 4.33Å; V13-M15 HydrophobicContact CG1-SD 4.19Å; V13-M15 PolarHBondContact O-N 3.38Å; V13-P107 HydrophobicContact CG1-CG 4.28Å; V13-P107 HydrophobicContact CG2-CG 3.98Å; V13-L110 HydrophobicContact CB-CD1 4.35Å; V13-L110 HydrophobicContact CG2-CD1 4.05Å; V13-Y166 VanDerWaalsContact CG1-C 3.45Å |
| 14 | A | 98 | Very high | 96.6 | Very high | 21 Ų | 21 | 52.3 Ų | 52.3 | 17% | 0.174 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 115.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L7 Y8 M164 Y166 | L7-A14 HydrophobicContact CD1-CB 4.47Å; L7-A14 HydrophobicContact CD2-CB 4.44Å; Y8-A14 WeakPolarHBondContact O-CA 3.47Å; A14-M164 VanDerWaalsContact CB-O 3.28Å; A14-M164 WeakPolarHBondContact CB-O 3.32Å; A14-Y166 PolarHBondContact O-N 2.88Å |
| 15 | M | 98.1 | Very high | 96.9 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 173.3 | -176.3 | -66.1 | -63.5 | -164.3 | 0 | 0 | 111.6 | L7 Y8 F10 V13 V19 T20 L106 L110 L165 Y166 | L7-M15 VanDerWaalsContact CA-O 3.31Å; L7-M15 WeakPolarHBondContact CA-O 3.46Å; Y8-M15 WeakPolarHBondContact CD1-O 3.13Å; Y8-M15 PolarHBondContact N-O 3.29Å; Y8-M15 PolarHBondContact O-N 3.48Å; F10-M15 HydrophobicContact CB-CB 3.73Å; F10-M15 HydrophobicContact CB-CG 3.7Å; F10-M15 HydrophobicContact CD1-CG 4.05Å; F10-M15 HydrophobicContact CG-CB 4.39Å; F10-M15 HydrophobicContact CG-CG 4.23Å; V13-M15 HydrophobicContact CB-CE 4.12Å; V13-M15 HydrophobicContact CB-CG 4.45Å; V13-M15 HydrophobicContact CG1-CE 3.63Å; V13-M15 HydrophobicContact CG1-CG 4.33Å; V13-M15 HydrophobicContact CG1-SD 4.19Å; V13-M15 PolarHBondContact O-N 3.38Å; M15-V19 HydrophobicContact CB-CG2 4.42Å; M15-V19 HydrophobicContact SD-CG2 4.13Å; M15-T20 HydrophobicContact CB-CG2 3.79Å; M15-T20 HydrophobicContact CG-CG2 4.24Å; M15-L106 HydrophobicContact CE-CD2 4.06Å; M15-L110 HydrophobicContact CE-CD1 3.54Å; M15-L165 HydrophobicContact SD-CD1 4.36Å; M15-Y166 HydrophobicContact CE-CD1 3.74Å; M15-Y166 HydrophobicContact CE-CE1 4.17Å; M15-Y166 HydrophobicContact SD-CD1 3.77Å; M15-Y166 HydrophobicContact SD-CE1 4.05Å; M15-Y166 HydrophobicContact SD-CG 4.32Å |
| 16 | T | 97.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -126.2 | 164.7 | 169.2 | 58.1 | 0 | 0 | 0 | 0 | 110.5 | P5 L7 C18 V19 T20 P147 L165 | P5-T16 HydrophobicContact CB-CG2 4.11Å; P5-T16 HydrophobicContact CG-CG2 4.26Å; L7-T16 HydrophobicContact CD2-CG2 3.86Å; T16-C18 PolarHBondContact O-N 2.83Å; T16-C18 PolarHBondContact OG1-SG 2.73Å; T16-V19 VanDerWaalsContact O-CG2 3.3Å; T16-V19 WeakPolarHBondContact O-CG2 3.37Å; T16-V19 PolarHBondContact O-N 3.34Å; T16-T20 PolarHBondContact O-N 2.87Å; T16-T20 PolarHBondContact O-OG1 3.49Å; T16-P147 HydrophobicContact CG2-CG 3.79Å; T16-L165 HydrophobicContact CG2-CD1 3.87Å; T16-L165 VanDerWaalsContact N-CD1 3.35Å; T16-L165 WeakPolarHBondContact OG1-CD1 3.5Å | ||
| 17 | H | 95.7 | Very high | 97.3 | Very high | 99 Ų | 99 | 51.2 Ų | 51.2 | 46% | 0.458 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -55.8 | -34.8 | 176.7 | -76.8 | -66.1 | 0 | 0 | 0 | 113.7 | Y8 V19 T20 D21 | Y8-H17 AromaticContact CE1-CE1 3.92Å; Y8-H17 AromaticContact CE1-NE2 3.83Å; H17-V19 PolarHBondContact O-N 3.28Å; H17-T20 VanDerWaalsContact CA-OG1 3.24Å; H17-T20 WeakPolarHBondContact CA-OG1 3.27Å; H17-T20 PolarHBondContact O-N 3.42Å; H17-T20 VanDerWaalsContact O-N 3.11Å; H17-T20 PolarHBondContact O-OG1 3.47Å; H17-D21 VanDerWaalsContact CB-OD1 3.32Å; H17-D21 WeakPolarHBondContact CB-OD1 3.2Å; H17-D21 IonicContact CG-OD1 3.82Å; H17-D21 IonicContact ND1-OD1 3.24Å; H17-D21 PolarHBondContact ND1-OD1 2.93Å; H17-D21 VanDerWaalsContact O-CB 3.32Å; H17-D21 WeakPolarHBondContact O-CB 3.49Å; H17-D21 PolarHBondContact O-N 3.39Å |
| 18 | C | 94.6 | Very high | 97.3 | Very high | 14 Ų | 14 | 53.4 Ų | 53.4 | 10% | 0.095 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -63.7 | -10.8 | -179 | 67.7 | 0 | 0 | 0 | 0 | 114.8 | T16 A81 V82 V145 | T16-C18 PolarHBondContact O-N 2.83Å; T16-C18 PolarHBondContact OG1-SG 2.73Å; C18-A81 WeakPolarHBondContact CA-O 3.42Å; C18-A81 CarbonylContact O-C 3.6Å; C18-A81 PolarHBondContact O-N 2.98Å; C18-V82 HydrophobicContact CB-CG1 3.48Å; C18-V82 VanDerWaalsContact CB-CG1 3.48Å; C18-V145 PolarHBondContact SG-O 2.91Å |
| 19 | V | 96.6 | Very high | 97.4 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.024 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -125.2 | 5.5 | 179.3 | -60.3 | 0 | 0 | 0 | 0 | 113.3 | M15 T16 H17 E79 I80 L165 Y166 | M15-V19 HydrophobicContact CB-CG2 4.42Å; M15-V19 HydrophobicContact SD-CG2 4.13Å; T16-V19 VanDerWaalsContact O-CG2 3.3Å; T16-V19 WeakPolarHBondContact O-CG2 3.37Å; T16-V19 PolarHBondContact O-N 3.34Å; H17-V19 PolarHBondContact O-N 3.28Å; V19-E79 CarbonylContact C-O 3.56Å; V19-E79 VanDerWaalsContact CA-O 3.27Å; V19-E79 WeakPolarHBondContact CA-O 3.46Å; V19-E79 HydrophobicContact CB-CB 4.47Å; V19-E79 HydrophobicContact CB-CG 3.99Å; V19-E79 HydrophobicContact CG1-CG 4.23Å; V19-I80 HydrophobicContact CG1-CD1 4.41Å; V19-L165 HydrophobicContact CG2-CD1 3.96Å; V19-Y166 WeakPolarHBondContact CG1-OH 3.46Å |
| 20 | T | 97.3 | Very high | 97.4 | Very high | 11 Ų | 11 | 50.8 Ų | 50.8 | 7% | 0.067 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.7 | -18.8 | -174.6 | 49.9 | 0 | 0 | 0 | 0 | 112.9 | Y8 F10 M15 T16 H17 N22 W23 | Y8-T20 VanDerWaalsContact OH-CB 3.23Å; Y8-T20 WeakPolarHBondContact OH-CB 3.38Å; Y8-T20 PolarHBondContact OH-OG1 2.95Å; F10-T20 HydrophobicContact CB-CG2 4.39Å; F10-T20 HydrophobicContact CD1-CG2 3.77Å; F10-T20 HydrophobicContact CD2-CG2 3.92Å; F10-T20 HydrophobicContact CE1-CG2 3.93Å; F10-T20 HydrophobicContact CE2-CG2 4.09Å; F10-T20 HydrophobicContact CG-CG2 3.74Å; F10-T20 HydrophobicContact CZ-CG2 4.08Å; M15-T20 HydrophobicContact CB-CG2 3.79Å; M15-T20 HydrophobicContact CG-CG2 4.24Å; T16-T20 PolarHBondContact O-N 2.87Å; T16-T20 PolarHBondContact O-OG1 3.49Å; H17-T20 VanDerWaalsContact CA-OG1 3.24Å; H17-T20 WeakPolarHBondContact CA-OG1 3.27Å; H17-T20 PolarHBondContact O-N 3.42Å; H17-T20 VanDerWaalsContact O-N 3.11Å; H17-T20 PolarHBondContact O-OG1 3.47Å; T20-N22 PolarHBondContact O-N 2.83Å; T20-W23 WeakPolarHBondContact O-CB 3.27Å; T20-W23 PolarHBondContact O-N 2.92Å |
| 21 | D | 95.8 | Very high | 97.4 | Very high | 106 Ų | 106 | 49.9 Ų | 49.9 | 57% | 0.567 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -29 | -180 | -74.8 | -7.2 | 0 | 0 | 0 | 112.7 | H17 A81 | H17-D21 VanDerWaalsContact CB-OD1 3.32Å; H17-D21 WeakPolarHBondContact CB-OD1 3.2Å; H17-D21 IonicContact CG-OD1 3.82Å; H17-D21 IonicContact ND1-OD1 3.24Å; H17-D21 PolarHBondContact ND1-OD1 2.93Å; H17-D21 VanDerWaalsContact O-CB 3.32Å; H17-D21 WeakPolarHBondContact O-CB 3.49Å; H17-D21 PolarHBondContact O-N 3.39Å; D21-A81 HydrophobicContact CB-CB 4.36Å |
| 22 | N | 95.9 | Very high | 97.5 | Very high | 35 Ų | 35 | 48.3 Ų | 48.3 | 19% | 0.187 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 25.3 | 173.8 | -156.5 | 16.4 | 0 | 0 | 0 | 112.9 | T20 E24 K25 V26 A81 P87 E90 | T20-N22 PolarHBondContact O-N 2.83Å; N22-E24 VanDerWaalsContact C-N 3.35Å; N22-E24 PolarHBondContact O-N 2.81Å; N22-K25 PolarHBondContact O-N 3.03Å; N22-K25 VanDerWaalsContact O-N 3.13Å; N22-K25 WeakPolarHBondContact OD1-CB 3.23Å; N22-V26 WeakPolarHBondContact O-CG2 3.47Å; N22-V26 PolarHBondContact O-N 3.22Å; N22-V26 VanDerWaalsContact O-N 3.14Å; N22-A81 HydrophobicContact CB-CB 3.72Å; N22-P87 WeakPolarHBondContact ND2-CB 3.25Å; N22-E90 PolarHBondContact ND2-OE1 3.26Å |
| 23 | W | 98.1 | Very high | 97.6 | Very high | 23 Ų | 23 | 49.4 Ų | 49.4 | 9% | 0.087 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.3 | -39.8 | -170.5 | 179.1 | -115.5 | 0 | 0 | 0 | 114 | F10 H11 T20 K25 V26 K27 L106 L110 | F10-W23 AromaticContact CE1-CD2 3.76Å; F10-W23 HydrophobicContact CE1-CD2 3.76Å; F10-W23 AromaticContact CE1-CE2 3.74Å; F10-W23 HydrophobicContact CE1-CE3 4.1Å; F10-W23 HydrophobicContact CE1-CG 4.15Å; F10-W23 HydrophobicContact CE1-CH2 4.43Å; F10-W23 HydrophobicContact CE1-CZ2 4.09Å; F10-W23 HydrophobicContact CE1-CZ3 4.43Å; F10-W23 HydrophobicContact CE2-CG 4.46Å; F10-W23 HydrophobicContact CZ-CB 4.11Å; F10-W23 AromaticContact CZ-CD1 3.52Å; F10-W23 AromaticContact CZ-CD2 3.6Å; F10-W23 HydrophobicContact CZ-CD2 3.6Å; F10-W23 AromaticContact CZ-CE2 3.68Å; F10-W23 HydrophobicContact CZ-CE3 4.32Å; F10-W23 AromaticContact CZ-CG 3.48Å; F10-W23 HydrophobicContact CZ-CG 3.48Å; F10-W23 VanDerWaalsContact CZ-CG 3.48Å; F10-W23 HydrophobicContact CZ-CZ2 4.45Å; F10-W23 AromaticContact CZ-NE1 3.55Å; H11-W23 AromaticContact NE2-NE1 3.77Å; T20-W23 WeakPolarHBondContact O-CB 3.27Å; T20-W23 PolarHBondContact O-N 2.92Å; W23-K25 PolarHBondContact O-N 3.03Å; W23-V26 HydrophobicContact CE3-CB 4Å; W23-V26 HydrophobicContact CE3-CG1 3.88Å; W23-V26 HydrophobicContact CZ3-CB 4.32Å; W23-V26 HydrophobicContact CZ3-CG1 3.69Å; W23-V26 CarbonylContact O-C 3.59Å; W23-V26 PolarHBondContact O-N 3.42Å; W23-V26 VanDerWaalsContact O-N 3.08Å; W23-K27 HydrophobicContact CD2-CB 4.35Å; W23-K27 HydrophobicContact CZ2-CB 4.24Å; W23-K27 VanDerWaalsContact O-CB 3.27Å; W23-K27 WeakPolarHBondContact O-CB 3.38Å; W23-K27 PolarHBondContact O-N 3.43Å; W23-L106 HydrophobicContact CH2-CD1 4.44Å; W23-L106 HydrophobicContact CZ3-CD1 4Å; W23-L106 HydrophobicContact CZ3-CD2 4.06Å; W23-L110 HydrophobicContact CH2-CB 3.93Å; W23-L110 HydrophobicContact CH2-CD2 4.26Å; W23-L110 WeakPolarHBondContact CH2-O 3.38Å; W23-L110 HydrophobicContact CZ2-CD2 4.21Å |
| 24 | E | 97.9 | Very high | 97.6 | Very high | 116 Ų | 116 | 51.2 Ų | 51.2 | 54% | 0.542 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.6 | -34.1 | 179.6 | -72.3 | -56 | 135.5 | 0 | 0 | 112.3 | N22 N28 | N22-E24 VanDerWaalsContact C-N 3.35Å; N22-E24 PolarHBondContact O-N 2.81Å; E24-N28 WeakPolarHBondContact O-CB 3.47Å; E24-N28 PolarHBondContact O-N 3.08Å; E24-N28 PolarHBondContact O-ND2 2.9Å; E24-N28 PolarHBondContact OE2-ND2 3.42Å |
| 25 | K | 98.1 | Very high | 97.6 | Very high | 81 Ų | 81 | 50.2 Ų | 50.2 | 35% | 0.352 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -72.5 | -38 | 174.3 | -175.1 | 66 | 179.1 | 171.3 | 0 | 111.6 | N22 W23 F29 A89 D93 | N22-K25 PolarHBondContact O-N 3.03Å; N22-K25 VanDerWaalsContact O-N 3.13Å; N22-K25 WeakPolarHBondContact OD1-CB 3.23Å; W23-K25 PolarHBondContact O-N 3.03Å; K25-F29 WeakPolarHBondContact O-CA 3.48Å; K25-F29 PolarHBondContact O-N 3.24Å; K25-A89 HydrophobicContact CG-CB 3.8Å; K25-D93 WeakPolarHBondContact CE-OD2 3.2Å; K25-D93 IonicContact NZ-OD2 3.05Å; K25-D93 PolarHBondContact NZ-OD2 3.4Å |
| 26 | V | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.5 | -54.5 | 177.6 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | N22 W23 N28 F29 L78 E79 A89 L106 P112 | N22-V26 WeakPolarHBondContact O-CG2 3.47Å; N22-V26 PolarHBondContact O-N 3.22Å; N22-V26 VanDerWaalsContact O-N 3.14Å; W23-V26 HydrophobicContact CE3-CB 4Å; W23-V26 HydrophobicContact CE3-CG1 3.88Å; W23-V26 HydrophobicContact CZ3-CB 4.32Å; W23-V26 HydrophobicContact CZ3-CG1 3.69Å; W23-V26 CarbonylContact O-C 3.59Å; W23-V26 PolarHBondContact O-N 3.42Å; W23-V26 VanDerWaalsContact O-N 3.08Å; V26-N28 VanDerWaalsContact C-N 3.25Å; V26-N28 PolarHBondContact O-N 2.92Å; V26-F29 WeakPolarHBondContact O-CB 3.35Å; V26-F29 PolarHBondContact O-N 3.43Å; V26-L78 HydrophobicContact CG1-CD2 4.4Å; V26-L78 HydrophobicContact CG1-CG 4.16Å; V26-E79 HydrophobicContact CG1-CB 4.28Å; V26-E79 HydrophobicContact CG2-CB 4.27Å; V26-A89 HydrophobicContact CG2-CB 4.28Å; V26-L106 HydrophobicContact CG1-CD1 4.06Å; V26-P112 HydrophobicContact CG1-CG 4.24Å; V26-P112 WeakPolarHBondContact O-CG 2.89Å |
| 27 | K | 98.3 | Very high | 97.7 | Very high | 106 Ų | 106 | 50.1 Ų | 50.1 | 46% | 0.461 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -55.4 | -40.3 | 179.6 | -179.8 | -174 | 173.4 | -171 | 0 | 112.1 | W23 | W23-K27 HydrophobicContact CD2-CB 4.35Å; W23-K27 HydrophobicContact CZ2-CB 4.24Å; W23-K27 VanDerWaalsContact O-CB 3.27Å; W23-K27 WeakPolarHBondContact O-CB 3.38Å; W23-K27 PolarHBondContact O-N 3.43Å |
| 28 | N | 98.4 | Very high | 97.9 | Very high | 92 Ų | 92 | 45.4 Ų | 45.4 | 49% | 0.492 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 12.7 | 180 | -59.1 | -55.3 | 0 | 0 | 0 | 113.3 | E24 V26 Q30 | E24-N28 WeakPolarHBondContact O-CB 3.47Å; E24-N28 PolarHBondContact O-N 3.08Å; E24-N28 PolarHBondContact O-ND2 2.9Å; E24-N28 PolarHBondContact OE2-ND2 3.42Å; V26-N28 VanDerWaalsContact C-N 3.25Å; V26-N28 PolarHBondContact O-N 2.92Å; N28-Q30 PolarHBondContact O-N 3.14Å; N28-Q30 PolarHBondContact O-NE2 2.77Å |
| 29 | F | 98.8 | Very high | 98.1 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 1% | 0.013 | 22% | 0.22 | C | C | . | . | trans | -55 | 138.1 | 178.3 | -178.5 | -97.4 | 0 | 0 | 0 | 110.5 | K25 V26 L78 A89 A92 D93 I102 P112 S114 F115 | K25-F29 WeakPolarHBondContact O-CA 3.48Å; K25-F29 PolarHBondContact O-N 3.24Å; V26-F29 WeakPolarHBondContact O-CB 3.35Å; V26-F29 PolarHBondContact O-N 3.43Å; F29-L78 HydrophobicContact CB-CD1 4.29Å; F29-L78 HydrophobicContact CD1-CD1 4.19Å; F29-L78 HydrophobicContact CD2-CD1 3.87Å; F29-L78 HydrophobicContact CE2-CD1 4.22Å; F29-L78 HydrophobicContact CG-CD1 3.84Å; F29-A89 HydrophobicContact CD2-CB 4.18Å; F29-A92 HydrophobicContact CE2-CB 3.74Å; F29-A92 HydrophobicContact CZ-CB 3.81Å; F29-D93 WeakPolarHBondContact CE2-OD1 3.47Å; F29-I102 HydrophobicContact CE1-CD1 3.8Å; F29-I102 HydrophobicContact CZ-CD1 3.7Å; F29-P112 HydrophobicContact CB-CB 4.46Å; F29-P112 HydrophobicContact CB-CG 4.43Å; F29-S114 VanDerWaalsContact O-CB 3.31Å; F29-S114 WeakPolarHBondContact O-CB 3.44Å; F29-S114 PolarHBondContact O-OG 3.47Å; F29-F115 AromaticContact CD1-CE2 3.75Å; F29-F115 HydrophobicContact CD1-CE2 3.75Å; F29-F115 AromaticContact CD1-CZ 3.85Å; F29-F115 HydrophobicContact CD1-CZ 3.85Å; F29-F115 HydrophobicContact CE1-CE2 4.09Å; F29-F115 AromaticContact CE1-CZ 3.68Å; F29-F115 HydrophobicContact CE1-CZ 3.68Å | ||
| 30 | Q | 98.4 | Very high | 98.2 | Very high | 132 Ų | 132 | 44.5 Ų | 44.5 | 62% | 0.617 | 22% | 0.219 | S | C | * | . | trans | -99.4 | 96.2 | -179.2 | -61.3 | -59.9 | -60.4 | 0 | 0 | 109.3 | N28 R100 | N28-Q30 PolarHBondContact O-N 3.14Å; N28-Q30 PolarHBondContact O-NE2 2.77Å; Q30-R100 PolarHBondContact O-NH2 3.08Å | ||
| 31 | A | 98.7 | Very high | 98.3 | Very high | 9 Ų | 9 | 44 Ų | 44 | 7% | 0.074 | 22% | 0.216 | C | C | . | . | trans | -64.9 | 151.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | D35 S114 F115 Q118 | A31-D35 WeakPolarHBondContact CA-OD2 3.46Å; A31-S114 PolarHBondContact N-OG 3.21Å; A31-F115 HydrophobicContact CB-CB 4.44Å; A31-F115 HydrophobicContact CB-CD1 3.64Å; A31-F115 HydrophobicContact CB-CD2 4.29Å; A31-F115 HydrophobicContact CB-CE1 3.86Å; A31-F115 HydrophobicContact CB-CE2 4.48Å; A31-F115 HydrophobicContact CB-CG 3.86Å; A31-F115 HydrophobicContact CB-CZ 4.27Å; A31-Q118 HydrophobicContact CB-CG 4.46Å | ||
| 32 | R | 98.4 | Very high | 98.4 | Very high | 90 Ų | 90 | 39.2 Ų | 39.2 | 34% | 0.34 | 19% | 0.19 | S | C | . | . | trans | -102.5 | 150.6 | 170.8 | -60.5 | 168.3 | -170.3 | 171.1 | 6 | 109 | D34 D35 D93 C120 | R32-D34 VanDerWaalsContact CB-OD1 3.23Å; R32-D34 WeakPolarHBondContact CB-OD1 3.38Å; R32-D34 PolarHBondContact O-N 3.01Å; R32-D35 PolarHBondContact N-OD2 3.09Å; R32-D35 WeakPolarHBondContact O-CB 3.26Å; R32-D35 PolarHBondContact O-N 2.67Å; R32-D93 PolarHBondContact NH2-O 3.27Å; R32-C120 PolarHBondContact O-SG 3.01Å | ||
| 33 | P | 98.1 | Very high | 98.6 | Very high | 85 Ų | 85 | 38.8 Ų | 38.8 | 55% | 0.552 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54 | -30.4 | -179.6 | -25.9 | 31.5 | 0 | 0 | 0 | 115 | ||
| 34 | D | 98.3 | Very high | 98.6 | Very high | 45 Ų | 45 | 37.8 Ų | 37.8 | 24% | 0.241 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -9 | -178.5 | 65.2 | -44 | 0 | 0 | 0 | 113.9 | R32 S98 P99 | R32-D34 VanDerWaalsContact CB-OD1 3.23Å; R32-D34 WeakPolarHBondContact CB-OD1 3.38Å; R32-D34 PolarHBondContact O-N 3.01Å; D34-S98 WeakPolarHBondContact OD2-CB 3.33Å; D34-S98 PolarHBondContact OD2-OG 3.28Å; D34-P99 HydrophobicContact CB-CB 4.42Å; D34-P99 WeakPolarHBondContact O-CB 3.35Å; D34-P99 WeakPolarHBondContact OD2-CA 3.37Å |
| 35 | D | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -56.6 | 146.9 | 178.1 | -72.7 | -15.8 | 0 | 0 | 0 | 112 | A31 R32 R100 F115 R121 | A31-D35 WeakPolarHBondContact CA-OD2 3.46Å; R32-D35 PolarHBondContact N-OD2 3.09Å; R32-D35 WeakPolarHBondContact O-CB 3.26Å; R32-D35 PolarHBondContact O-N 2.67Å; D35-R100 VanDerWaalsContact OD1-CB 3.26Å; D35-R100 WeakPolarHBondContact OD1-CB 3.38Å; D35-R100 WeakPolarHBondContact OD1-CG 3.27Å; D35-R100 IonicContact OD1-CZ 3.43Å; D35-R100 IonicContact OD1-NE 3.63Å; D35-R100 PolarHBondContact OD1-NE 3.48Å; D35-R100 IonicContact OD1-NH2 3.71Å; D35-R100 IonicContact OD2-CZ 2.59Å; D35-R100 IonicContact OD2-NE 3.39Å; D35-R100 PolarHBondContact OD2-NE 3.18Å; D35-R100 IonicContact OD2-NH2 3.81Å; D35-R100 PolarHBondContact OD2-NH2 3.4Å; D35-F115 HydrophobicContact CB-CE1 4.24Å; D35-R121 PolarHBondContact O-N 3.46Å | ||
| 36 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 115.2 | 173.7 | -57.7 | 173.3 | 0 | 0 | 0 | 108.5 | L53 Y57 P99 R100 L101 I102 R121 V123 L209 | I36-L53 HydrophobicContact CG2-CD1 4.49Å; I36-Y57 HydrophobicContact CD1-CD2 4.27Å; I36-Y57 HydrophobicContact CD1-CE2 3.31Å; I36-Y57 WeakPolarHBondContact CD1-OH 3.31Å; I36-P99 HydrophobicContact CD1-CB 4.3Å; I36-P99 HydrophobicContact CD1-CG 4.02Å; I36-P99 HydrophobicContact CG1-CB 4.35Å; I36-R100 PolarHBondContact N-O 3.13Å; I36-L101 HydrophobicContact CB-CD2 3.89Å; I36-L101 HydrophobicContact CD1-CD2 3.89Å; I36-L101 HydrophobicContact CG1-CD2 4.35Å; I36-L101 HydrophobicContact CG2-CD2 4.38Å; I36-I102 PolarHBondContact O-N 3.35Å; I36-R121 WeakPolarHBondContact CA-O 3.41Å; I36-R121 HydrophobicContact CG1-CB 4.28Å; I36-V123 HydrophobicContact CG2-CG2 4.23Å; I36-L209 HydrophobicContact CD1-CD2 3.87Å |
| 37 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 121.8 | 175.4 | -172.9 | 67.3 | 0 | 0 | 0 | 110.2 | I102 T104 V111 F115 R121 M122 V123 W176 | L37-I102 CarbonylContact C-O 3.55Å; L37-I102 WeakPolarHBondContact CA-O 3.39Å; L37-I102 HydrophobicContact CD1-CB 4.41Å; L37-I102 HydrophobicContact CD1-CG2 4.21Å; L37-T104 HydrophobicContact CD1-CG2 3.7Å; L37-T104 HydrophobicContact CD2-CG2 4.08Å; L37-T104 HydrophobicContact CG-CG2 3.96Å; L37-V111 HydrophobicContact CD2-CG1 3.67Å; L37-F115 HydrophobicContact CB-CD1 4.06Å; L37-F115 HydrophobicContact CB-CE1 4.05Å; L37-F115 HydrophobicContact CD1-CE1 4.05Å; L37-F115 HydrophobicContact CD1-CE2 4.19Å; L37-F115 HydrophobicContact CD1-CZ 3.86Å; L37-F115 HydrophobicContact CD2-CD1 4.31Å; L37-F115 HydrophobicContact CD2-CD2 4.31Å; L37-F115 HydrophobicContact CD2-CG 4.16Å; L37-F115 HydrophobicContact CG-CE1 4.46Å; L37-R121 PolarHBondContact N-O 3.14Å; L37-M122 HydrophobicContact CB-CG 4.21Å; L37-M122 HydrophobicContact CD2-CE 4.2Å; L37-M122 HydrophobicContact CD2-SD 4.33Å; L37-M122 CarbonylContact O-C 3.56Å; L37-M122 VanDerWaalsContact O-CA 3.28Å; L37-M122 WeakPolarHBondContact O-CA 3.2Å; L37-V123 PolarHBondContact O-N 3.35Å; L37-W176 HydrophobicContact CD2-CH2 4.47Å |
| 38 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 104.2 | 176.5 | -56.5 | 165.9 | 0 | 0 | 0 | 107.5 | T46 V49 L53 V75 I102 K103 T104 V123 | I38-T46 HydrophobicContact CG2-CG2 4.19Å; I38-V49 HydrophobicContact CG2-CG1 3.54Å; I38-L53 HydrophobicContact CD1-CD1 3.41Å; I38-L53 VanDerWaalsContact CD1-CD1 3.41Å; I38-L53 HydrophobicContact CG1-CD1 3.52Å; I38-V75 HydrophobicContact CD1-CG1 3.78Å; I38-I102 PolarHBondContact N-O 3Å; I38-K103 HydrophobicContact CB-CB 4.23Å; I38-K103 CarbonylContact O-C 3.57Å; I38-K103 VanDerWaalsContact O-CA 3.23Å; I38-K103 WeakPolarHBondContact O-CA 3.11Å; I38-T104 PolarHBondContact O-N 2.89Å; I38-V123 CarbonylContact C-O 3.6Å; I38-V123 WeakPolarHBondContact CA-O 3.43Å |
| 39 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 138 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | T104 V123 Y124 V125 W176 | A39-T104 WeakPolarHBondContact CA-O 3.47Å; A39-T104 HydrophobicContact CB-CG2 3.92Å; A39-V123 PolarHBondContact N-O 2.88Å; A39-Y124 HydrophobicContact CB-CD2 3.78Å; A39-Y124 HydrophobicContact CB-CE2 4.44Å; A39-Y124 VanDerWaalsContact O-CA 3.22Å; A39-Y124 WeakPolarHBondContact O-CA 3.25Å; A39-Y124 WeakPolarHBondContact O-CD2 3.49Å; A39-V125 PolarHBondContact O-N 3.37Å; A39-V125 VanDerWaalsContact O-N 3.15Å; A39-W176 HydrophobicContact CB-CD2 4.38Å; A39-W176 HydrophobicContact CB-CE3 4.38Å; A39-W176 HydrophobicContact CB-CH2 3.36Å; A39-W176 HydrophobicContact CB-CZ2 3.31Å; A39-W176 HydrophobicContact CB-CZ3 3.92Å |
| 40 | T | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 149.4 | 177.3 | 50.8 | 0 | 0 | 0 | 0 | 109.1 | T46 T104 H105 V125 | T40-T46 HydrophobicContact CG2-CG2 4.12Å; T40-T46 WeakPolarHBondContact OG1-CG2 3.38Å; T40-T46 PolarHBondContact OG1-OG1 3.06Å; T40-T104 PolarHBondContact N-O 3.42Å; T40-H105 VanDerWaalsContact O-CA 3.31Å; T40-H105 WeakPolarHBondContact O-CA 3.2Å; T40-H105 PolarHBondContact O-ND1 2.99Å; T40-H105 PolarHBondContact OG1-CE1 3.26Å; T40-H105 PolarHBondContact OG1-ND1 3.25Å; T40-H105 VanDerWaalsContact OG1-ND1 3.07Å; T40-V125 HydrophobicContact CG2-CB 3.74Å; T40-V125 HydrophobicContact CG2-CG2 4.3Å; T40-V125 WeakPolarHBondContact CG2-O 3.4Å |
| 41 | Y | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 0% | 0.004 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -64 | 147.3 | 155.3 | -171.4 | -99.4 | 0 | 0 | 0 | 108.2 | K43 A44 N132 F136 F159 M164 G167 W169 H172 | Y41-K43 PolarHBondContact O-N 2.55Å; Y41-A44 VanDerWaalsContact O-CB 3.32Å; Y41-A44 WeakPolarHBondContact O-CB 3.36Å; Y41-A44 PolarHBondContact O-N 3.36Å; Y41-N132 VanDerWaalsContact CD1-OD1 3.26Å; Y41-N132 WeakPolarHBondContact CD1-OD1 3.42Å; Y41-N132 VanDerWaalsContact CE1-OD1 3.3Å; Y41-N132 WeakPolarHBondContact CE1-OD1 3.28Å; Y41-F136 AromaticContact CE1-CD1 3.82Å; Y41-F136 HydrophobicContact CE1-CD1 3.82Å; Y41-F136 AromaticContact CE1-CE1 3.83Å; Y41-F136 HydrophobicContact CE1-CE1 3.83Å; Y41-F136 AromaticContact CZ-CE1 3.9Å; Y41-F159 HydrophobicContact CE1-CE2 4.18Å; Y41-M164 VanDerWaalsContact OH-CB 3.25Å; Y41-M164 WeakPolarHBondContact OH-CB 3.26Å; Y41-G167 PolarHBondContact OH-O 2.68Å; Y41-W169 HydrophobicContact CD1-CB 4.4Å; Y41-W169 AromaticContact CD1-CD1 3.55Å; Y41-W169 HydrophobicContact CD1-CG 4.36Å; Y41-W169 HydrophobicContact CE1-CB 4.07Å; Y41-W169 AromaticContact CE1-CD1 3.92Å; Y41-W169 HydrophobicContact CE1-CG 4.43Å; Y41-W169 HydrophobicContact CE2-CB 4.32Å; Y41-W169 AromaticContact CG-CD1 3.96Å; Y41-H172 HydrophobicContact CD2-CB 3.74Å; Y41-H172 AromaticContact CD2-CD2 3.88Å; Y41-H172 AromaticContact CD2-CG 3.68Å; Y41-H172 HydrophobicContact CE2-CB 4.48Å; Y41-H172 PolarHBondContact N-CE1 2.78Å |
| 42 | P | 98.7 | Very high | 98.7 | Very high | 4 Ų | 4 | 15.6 Ų | 15.6 | 3% | 0.026 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | 142.2 | 179.5 | -29.1 | 34.5 | 0 | 0 | 0 | 112.1 | A44 H105 N132 F136 Y166 | P42-A44 VanDerWaalsContact C-N 3.27Å; P42-A44 PolarHBondContact O-N 2.62Å; P42-H105 HydrophobicContact CG-CB 4.24Å; P42-N132 PolarHBondContact O-ND2 2.97Å; P42-N132 PolarHBondContact O-OD1 3.41Å; P42-N132 VanDerWaalsContact O-OD1 3.12Å; P42-F136 HydrophobicContact CB-CD1 4.11Å; P42-F136 HydrophobicContact CB-CE1 3.57Å; P42-F136 HydrophobicContact CB-CE2 4.19Å; P42-F136 HydrophobicContact CB-CZ 3.61Å; P42-F136 HydrophobicContact CG-CE1 3.77Å; P42-F136 HydrophobicContact CG-CZ 3.76Å; P42-Y166 HydrophobicContact CG-CD2 3.42Å; P42-Y166 VanDerWaalsContact CG-CD2 3.42Å; P42-Y166 HydrophobicContact CG-CE2 4.02Å; P42-Y166 HydrophobicContact CG-CG 4.27Å |
| 43 | K | 98.7 | Very high | 98.7 | Very high | 27 Ų | 27 | 11.3 Ų | 11.3 | 12% | 0.117 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 19.1 | 174.6 | -38.8 | -49.6 | -59.8 | -178.3 | 0 | 116 | Y41 R127 F136 F139 | Y41-K43 PolarHBondContact O-N 2.55Å; K43-R127 WeakPolarHBondContact O-CD 3.36Å; K43-R127 PolarHBondContact O-NH1 3.18Å; K43-F136 HydrophobicContact CG-CB 3.89Å; K43-F136 HydrophobicContact CG-CD2 4.2Å; K43-F136 HydrophobicContact CG-CG 3.96Å; K43-F139 HydrophobicContact CD-CB 3.8Å; K43-F139 HydrophobicContact CD-CD1 3.67Å; K43-F139 HydrophobicContact CD-CD2 4.37Å; K43-F139 HydrophobicContact CD-CE1 4.23Å; K43-F139 HydrophobicContact CD-CG 3.7Å; K43-F139 HydrophobicContact CG-CB 4.48Å; K43-F139 VanDerWaalsContact NZ-CG 3.32Å |
| 44 | A | 98.7 | Very high | 98.7 | Very high | 1 Ų | 1 | 7.3 Ų | 7.3 | 1% | 0.008 | 4% | 0.04 | C | C | . | . | S | Bend | trans | -90.6 | 8.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y41 P42 V125 R127 | Y41-A44 VanDerWaalsContact O-CB 3.32Å; Y41-A44 WeakPolarHBondContact O-CB 3.36Å; Y41-A44 PolarHBondContact O-N 3.36Å; P42-A44 VanDerWaalsContact C-N 3.27Å; P42-A44 PolarHBondContact O-N 2.62Å; A44-V125 WeakPolarHBondContact CB-O 3.29Å; A44-V125 VanDerWaalsContact O-CG1 3.29Å; A44-V125 WeakPolarHBondContact O-CG1 3.33Å; A44-R127 HydrophobicContact CB-CB 3.77Å |
| 45 | G | 98.1 | Very high | 98.7 | Very high | 14 Ų | 14 | 5.3 Ų | 5.3 | 14% | 0.144 | 3% | 0.029 | C | C | . | . | S | Bend | trans | 104.9 | 21.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | T47 W48 V49 | G45-T47 PolarHBondContact O-N 3.32Å; G45-W48 VanDerWaalsContact O-CB 3.31Å; G45-W48 WeakPolarHBondContact O-CB 3.01Å; G45-W48 PolarHBondContact O-N 2.86Å; G45-V49 PolarHBondContact O-N 2.82Å; G45-V49 VanDerWaalsContact O-N 3.13Å |
| 46 | T | 98.8 | Very high | 98.7 | Very high | 9 Ų | 9 | 6.4 Ų | 6.4 | 6% | 0.055 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -52.1 | -51.4 | -178.8 | -28.8 | 0 | 0 | 0 | 0 | 112.7 | I38 T40 W48 V49 S50 K103 H105 | I38-T46 HydrophobicContact CG2-CG2 4.19Å; T40-T46 HydrophobicContact CG2-CG2 4.12Å; T40-T46 WeakPolarHBondContact OG1-CG2 3.38Å; T40-T46 PolarHBondContact OG1-OG1 3.06Å; T46-W48 PolarHBondContact O-N 2.59Å; T46-V49 WeakPolarHBondContact O-CG1 3.3Å; T46-V49 PolarHBondContact O-N 3.43Å; T46-S50 VanDerWaalsContact O-CB 3.25Å; T46-S50 WeakPolarHBondContact O-CB 3.32Å; T46-S50 PolarHBondContact O-N 2.92Å; T46-S50 PolarHBondContact O-OG 3.01Å; T46-K103 HydrophobicContact CG2-CB 4.05Å; T46-K103 HydrophobicContact CG2-CD 3.95Å; T46-H105 PolarHBondContact OG1-CE1 2.85Å; T46-H105 VanDerWaalsContact OG1-CE1 3.31Å |
| 47 | T | 98.7 | Very high | 98.6 | Very high | 14 Ų | 14 | 7.8 Ų | 7.8 | 9% | 0.086 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -59.7 | -34.7 | 179.2 | -54.3 | 0 | 0 | 0 | 0 | 112.5 | G45 Y51 I71 M230 T236 F251 | G45-T47 PolarHBondContact O-N 3.32Å; T47-Y51 WeakPolarHBondContact O-CB 3.44Å; T47-Y51 PolarHBondContact O-N 3.4Å; T47-I71 HydrophobicContact CG2-CG2 4.08Å; T47-M230 HydrophobicContact CG2-CE 3.9Å; T47-T236 WeakPolarHBondContact CG2-O 3.29Å; T47-F251 HydrophobicContact CG2-CE1 4.33Å; T47-F251 WeakPolarHBondContact OG1-CE1 3.39Å; T47-F251 WeakPolarHBondContact OG1-CZ 3.36Å |
| 48 | W | 98.8 | Very high | 98.5 | Very high | 32 Ų | 32 | 8.4 Ų | 8.4 | 12% | 0.121 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -66.8 | -55.1 | -179.8 | -165.7 | 6.7 | 0 | 0 | 0 | 110.8 | G45 T46 S50 Y51 I52 Y191 I194 A195 T198 V225 M230 | G45-W48 VanDerWaalsContact O-CB 3.31Å; G45-W48 WeakPolarHBondContact O-CB 3.01Å; G45-W48 PolarHBondContact O-N 2.86Å; T46-W48 PolarHBondContact O-N 2.59Å; W48-S50 VanDerWaalsContact C-N 3.32Å; W48-S50 PolarHBondContact O-N 3.3Å; W48-Y51 PolarHBondContact O-N 2.81Å; W48-Y51 VanDerWaalsContact O-N 3.16Å; W48-I52 HydrophobicContact CG-CD1 4.49Å; W48-I52 WeakPolarHBondContact O-CG1 3.5Å; W48-I52 PolarHBondContact O-N 3.03Å; W48-Y191 HydrophobicContact CE3-CD2 4.01Å; W48-Y191 AromaticContact CE3-CE2 3.57Å; W48-Y191 HydrophobicContact CE3-CE2 3.57Å; W48-Y191 HydrophobicContact CZ3-CD2 4.12Å; W48-Y191 AromaticContact CZ3-CE2 3.61Å; W48-Y191 HydrophobicContact CZ3-CE2 3.61Å; W48-Y191 AromaticContact CZ3-CZ 3.94Å; W48-I194 HydrophobicContact CD2-CG2 3.81Å; W48-I194 HydrophobicContact CE3-CB 4.31Å; W48-I194 HydrophobicContact CE3-CG2 3.78Å; W48-I194 HydrophobicContact CH2-CB 4.2Å; W48-I194 HydrophobicContact CH2-CG2 3.61Å; W48-I194 HydrophobicContact CZ2-CG2 3.58Å; W48-I194 HydrophobicContact CZ3-CB 4Å; W48-I194 HydrophobicContact CZ3-CG2 3.68Å; W48-A195 HydrophobicContact CH2-CB 4.2Å; W48-A195 HydrophobicContact CZ3-CB 4.29Å; W48-T198 HydrophobicContact CZ2-CG2 4.48Å; W48-V225 PolarHBondContact NE1-O 2.84Å; W48-M230 HydrophobicContact CG-SD 4.35Å |
| 49 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -66.7 | -33.4 | 178.4 | 71.6 | 0 | 0 | 0 | 0 | 112.3 | I38 G45 T46 Y51 I52 L53 V123 V125 M189 L205 | I38-V49 HydrophobicContact CG2-CG1 3.54Å; G45-V49 PolarHBondContact O-N 2.82Å; G45-V49 VanDerWaalsContact O-N 3.13Å; T46-V49 WeakPolarHBondContact O-CG1 3.3Å; T46-V49 PolarHBondContact O-N 3.43Å; V49-Y51 VanDerWaalsContact C-N 3.32Å; V49-Y51 PolarHBondContact O-N 3.48Å; V49-I52 PolarHBondContact O-N 2.86Å; V49-L53 HydrophobicContact CG2-CD1 4.17Å; V49-L53 HydrophobicContact CG2-CG 4.49Å; V49-L53 WeakPolarHBondContact O-CB 3.49Å; V49-L53 VanDerWaalsContact O-CG 3.31Å; V49-L53 WeakPolarHBondContact O-CG 3.49Å; V49-L53 PolarHBondContact O-N 3.19Å; V49-V123 HydrophobicContact CG2-CG1 3.87Å; V49-V125 HydrophobicContact CB-CG2 3.89Å; V49-V125 HydrophobicContact CG1-CG2 3.66Å; V49-V125 HydrophobicContact CG2-CG2 4.03Å; V49-M189 HydrophobicContact CG2-SD 4.36Å; V49-L205 HydrophobicContact CG2-CD2 4.5Å |
| 50 | S | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.007 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -60.8 | -41.5 | 172.6 | -66.9 | 0 | 0 | 0 | 0 | 111.8 | T46 W48 D54 | T46-S50 VanDerWaalsContact O-CB 3.25Å; T46-S50 WeakPolarHBondContact O-CB 3.32Å; T46-S50 PolarHBondContact O-N 2.92Å; T46-S50 PolarHBondContact O-OG 3.01Å; W48-S50 VanDerWaalsContact C-N 3.32Å; W48-S50 PolarHBondContact O-N 3.3Å; S50-D54 WeakPolarHBondContact O-CB 3.48Å; S50-D54 PolarHBondContact O-N 2.69Å |
| 51 | Y | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 0% | 0.004 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -73.5 | -38.7 | 179 | -168.9 | -142.8 | 0 | 0 | 0 | 112.1 | T47 W48 V49 L53 D54 L55 I71 L224 V225 M230 T236 | T47-Y51 WeakPolarHBondContact O-CB 3.44Å; T47-Y51 PolarHBondContact O-N 3.4Å; W48-Y51 PolarHBondContact O-N 2.81Å; W48-Y51 VanDerWaalsContact O-N 3.16Å; V49-Y51 VanDerWaalsContact C-N 3.32Å; V49-Y51 PolarHBondContact O-N 3.48Å; Y51-L53 VanDerWaalsContact C-N 3.33Å; Y51-L53 PolarHBondContact O-N 3.24Å; Y51-D54 PolarHBondContact O-N 3.43Å; Y51-L55 HydrophobicContact CD1-CD1 4.17Å; Y51-L55 HydrophobicContact CD2-CD1 4.17Å; Y51-L55 HydrophobicContact CD2-CG 3.98Å; Y51-L55 HydrophobicContact CE1-CD1 3.94Å; Y51-L55 HydrophobicContact CE2-CD1 3.92Å; Y51-L55 HydrophobicContact CE2-CD2 3.81Å; Y51-L55 HydrophobicContact CE2-CG 3.74Å; Y51-L55 HydrophobicContact CG-CD1 4.29Å; Y51-L55 WeakPolarHBondContact O-CB 3.2Å; Y51-L55 VanDerWaalsContact O-CG 3.28Å; Y51-L55 WeakPolarHBondContact O-CG 3.39Å; Y51-L55 PolarHBondContact O-N 3.26Å; Y51-I71 HydrophobicContact CD2-CD1 4.35Å; Y51-L224 HydrophobicContact CE1-CB 4.25Å; Y51-V225 HydrophobicContact CD1-CG1 3.81Å; Y51-V225 HydrophobicContact CE1-CG1 4.31Å; Y51-V225 HydrophobicContact CG-CG1 4.4Å; Y51-M230 HydrophobicContact CD1-CE 3.85Å; Y51-M230 HydrophobicContact CD1-CG 3.9Å; Y51-M230 HydrophobicContact CD1-SD 3.98Å; Y51-M230 HydrophobicContact CE1-CG 4.21Å; Y51-M230 HydrophobicContact CG-CE 4.26Å; Y51-T236 HydrophobicContact CD1-CG2 3.78Å; Y51-T236 HydrophobicContact CD2-CG2 3.87Å; Y51-T236 HydrophobicContact CE1-CG2 3.85Å; Y51-T236 HydrophobicContact CE2-CG2 3.94Å; Y51-T236 HydrophobicContact CG-CG2 3.8Å |
| 52 | I | 98.8 | Very high | 97 | Very high | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.021 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -54.3 | -50.5 | 170.5 | -68.7 | 166.5 | 0 | 0 | 0 | 110.3 | W48 V49 L55 L56 I194 I202 L205 V225 | W48-I52 HydrophobicContact CG-CD1 4.49Å; W48-I52 WeakPolarHBondContact O-CG1 3.5Å; W48-I52 PolarHBondContact O-N 3.03Å; V49-I52 PolarHBondContact O-N 2.86Å; I52-L55 PolarHBondContact O-N 3.08Å; I52-L56 HydrophobicContact CG2-CD1 3.82Å; I52-L56 HydrophobicContact CG2-CG 4.39Å; I52-L56 WeakPolarHBondContact O-CB 3.41Å; I52-L56 VanDerWaalsContact O-CG 3.31Å; I52-L56 WeakPolarHBondContact O-CG 3.36Å; I52-L56 PolarHBondContact O-N 3.19Å; I52-I194 HydrophobicContact CD1-CG2 4.43Å; I52-I202 HydrophobicContact CD1-CG1 4.45Å; I52-I202 HydrophobicContact CG2-CG1 3.89Å; I52-L205 HydrophobicContact CG2-CD2 3.77Å; I52-V225 HydrophobicContact CD1-CG2 4.38Å; I52-V225 HydrophobicContact CG1-CB 4.01Å; I52-V225 HydrophobicContact CG1-CG1 3.67Å; I52-V225 HydrophobicContact CG1-CG2 3.95Å |
| 53 | L | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.7 | -42.9 | -179.4 | -73.8 | 167.4 | 0 | 0 | 0 | 112.8 | I36 I38 V49 Y51 L55 L56 Y57 L101 V123 L205 L209 | I36-L53 HydrophobicContact CG2-CD1 4.49Å; I38-L53 HydrophobicContact CD1-CD1 3.41Å; I38-L53 VanDerWaalsContact CD1-CD1 3.41Å; I38-L53 HydrophobicContact CG1-CD1 3.52Å; V49-L53 HydrophobicContact CG2-CD1 4.17Å; V49-L53 HydrophobicContact CG2-CG 4.49Å; V49-L53 WeakPolarHBondContact O-CB 3.49Å; V49-L53 VanDerWaalsContact O-CG 3.31Å; V49-L53 WeakPolarHBondContact O-CG 3.49Å; V49-L53 PolarHBondContact O-N 3.19Å; Y51-L53 VanDerWaalsContact C-N 3.33Å; Y51-L53 PolarHBondContact O-N 3.24Å; L53-L55 VanDerWaalsContact C-N 3.33Å; L53-L55 PolarHBondContact O-N 2.59Å; L53-L56 PolarHBondContact O-N 2.97Å; L53-Y57 WeakPolarHBondContact O-CD2 3.31Å; L53-Y57 PolarHBondContact O-N 3.01Å; L53-Y57 VanDerWaalsContact O-N 3.07Å; L53-L101 HydrophobicContact CB-CD1 3.9Å; L53-L101 HydrophobicContact CB-CD2 4.28Å; L53-V123 HydrophobicContact CD1-CG2 4.32Å; L53-L205 HydrophobicContact CD2-CD1 4.24Å; L53-L205 HydrophobicContact CD2-CD2 3.75Å; L53-L205 HydrophobicContact CD2-CG 4.15Å; L53-L205 HydrophobicContact CG-CD2 4.1Å; L53-L209 HydrophobicContact CD2-CD1 3.44Å; L53-L209 VanDerWaalsContact CD2-CD1 3.44Å |
| 54 | D | 98.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.1 | -39.4 | 177.8 | -177.1 | 89.6 | 0 | 0 | 0 | 111.4 | S50 Y51 F58 R65 I71 R74 L101 | S50-D54 WeakPolarHBondContact O-CB 3.48Å; S50-D54 PolarHBondContact O-N 2.69Å; Y51-D54 PolarHBondContact O-N 3.43Å; D54-F58 WeakPolarHBondContact O-CA 3.12Å; D54-F58 WeakPolarHBondContact O-CB 3.49Å; D54-F58 PolarHBondContact O-N 3.04Å; D54-F58 WeakPolarHBondContact OD1-CD2 3.46Å; D54-R65 IonicContact OD1-CZ 3.76Å; D54-R65 IonicContact OD1-NE 2.73Å; D54-R65 IonicContact OD1-NH2 2.82Å; D54-R65 PolarHBondContact OD1-NH2 3.19Å; D54-I71 HydrophobicContact CB-CD1 4.48Å; D54-R74 IonicContact OD2-CZ 3.78Å; D54-R74 IonicContact OD2-NE 2.72Å; D54-R74 IonicContact OD2-NH1 3.7Å; D54-R74 PolarHBondContact OD2-NH1 3.14Å; D54-L101 HydrophobicContact CB-CD1 3.96Å |
| 55 | L | 98.1 | Very high | 96.2 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.7 | -42.2 | 175.3 | -67.5 | 170.8 | 0 | 0 | 0 | 112.5 | Y51 I52 L53 Y57 G59 Q66 I221 L224 V225 | Y51-L55 HydrophobicContact CD1-CD1 4.17Å; Y51-L55 HydrophobicContact CD2-CD1 4.17Å; Y51-L55 HydrophobicContact CD2-CG 3.98Å; Y51-L55 HydrophobicContact CE1-CD1 3.94Å; Y51-L55 HydrophobicContact CE2-CD1 3.92Å; Y51-L55 HydrophobicContact CE2-CD2 3.81Å; Y51-L55 HydrophobicContact CE2-CG 3.74Å; Y51-L55 HydrophobicContact CG-CD1 4.29Å; Y51-L55 WeakPolarHBondContact O-CB 3.2Å; Y51-L55 VanDerWaalsContact O-CG 3.28Å; Y51-L55 WeakPolarHBondContact O-CG 3.39Å; Y51-L55 PolarHBondContact O-N 3.26Å; I52-L55 PolarHBondContact O-N 3.08Å; L53-L55 VanDerWaalsContact C-N 3.33Å; L53-L55 PolarHBondContact O-N 2.59Å; L55-Y57 VanDerWaalsContact C-N 3.31Å; L55-Y57 PolarHBondContact O-N 3.36Å; L55-G59 WeakPolarHBondContact O-CA 2.99Å; L55-G59 PolarHBondContact O-N 3.3Å; L55-Q66 HydrophobicContact CD2-CG 3.85Å; L55-I221 HydrophobicContact CB-CD1 4.26Å; L55-I221 HydrophobicContact CB-CG1 3.9Å; L55-I221 HydrophobicContact CB-CG2 4.38Å; L55-I221 HydrophobicContact CD1-CG1 4.42Å; L55-I221 HydrophobicContact CD1-CG2 4.18Å; L55-L224 HydrophobicContact CD1-CB 3.88Å; L55-L224 HydrophobicContact CD1-CD1 4.08Å; L55-L224 HydrophobicContact CD2-CD1 3.89Å; L55-V225 HydrophobicContact CD1-CG1 3.6Å |
| 56 | L | 97.9 | Very high | 95.9 | Very high | 22 Ų | 22 | 30.8 Ų | 30.8 | 12% | 0.115 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.4 | -39.4 | 177.7 | -78.6 | 172.4 | 0 | 0 | 0 | 112.7 | I52 L53 I202 L205 C206 L211 P213 I221 | I52-L56 HydrophobicContact CG2-CD1 3.82Å; I52-L56 HydrophobicContact CG2-CG 4.39Å; I52-L56 WeakPolarHBondContact O-CB 3.41Å; I52-L56 VanDerWaalsContact O-CG 3.31Å; I52-L56 WeakPolarHBondContact O-CG 3.36Å; I52-L56 PolarHBondContact O-N 3.19Å; L53-L56 PolarHBondContact O-N 2.97Å; L56-I202 HydrophobicContact CD2-CG2 4.34Å; L56-L205 HydrophobicContact CD1-CD2 4.05Å; L56-L205 HydrophobicContact CD1-CG 4.46Å; L56-C206 VanDerWaalsContact CD2-SG 3.55Å; L56-L211 HydrophobicContact CB-CD1 3.98Å; L56-P213 HydrophobicContact CD2-CB 4.43Å; L56-P213 HydrophobicContact CD2-CG 3.98Å; L56-I221 HydrophobicContact CD2-CD1 3.63Å; L56-I221 HydrophobicContact CG-CD1 4.07Å |
| 57 | Y | 97.4 | Very high | 95.7 | Very high | 29 Ų | 29 | 35.8 Ų | 35.8 | 11% | 0.114 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -87.3 | -38 | -178.8 | -85.1 | -76.3 | 0 | 0 | 0 | 113.7 | I36 L53 L55 L61 P99 L101 R121 L209 L211 | I36-Y57 HydrophobicContact CD1-CD2 4.27Å; I36-Y57 HydrophobicContact CD1-CE2 3.31Å; I36-Y57 WeakPolarHBondContact CD1-OH 3.31Å; L53-Y57 WeakPolarHBondContact O-CD2 3.31Å; L53-Y57 PolarHBondContact O-N 3.01Å; L53-Y57 VanDerWaalsContact O-N 3.07Å; L55-Y57 VanDerWaalsContact C-N 3.31Å; L55-Y57 PolarHBondContact O-N 3.36Å; Y57-L61 WeakPolarHBondContact O-CD1 3.19Å; Y57-P99 HydrophobicContact CD1-CG 3.58Å; Y57-P99 HydrophobicContact CD2-CG 4.3Å; Y57-P99 HydrophobicContact CE1-CG 3.46Å; Y57-P99 VanDerWaalsContact CE1-CG 3.46Å; Y57-P99 HydrophobicContact CE2-CG 4.18Å; Y57-P99 HydrophobicContact CG-CG 4.03Å; Y57-L101 HydrophobicContact CD2-CD2 4.26Å; Y57-R121 PolarHBondContact OH-NH2 3.47Å; Y57-L209 HydrophobicContact CE2-CD1 4.03Å; Y57-L211 HydrophobicContact CD2-CD1 4.32Å; Y57-L211 HydrophobicContact CE1-CD1 4.29Å; Y57-L211 HydrophobicContact CE1-CD2 4Å; Y57-L211 HydrophobicContact CE2-CD1 3.9Å |
| 58 | F | 96.8 | Very high | 95.5 | Very high | 13 Ų | 13 | 38.2 Ų | 38.2 | 6% | 0.057 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -125.6 | -5.6 | -165.9 | -49.4 | -61.9 | 0 | 0 | 0 | 113.8 | D54 H60 L61 S62 T97 P99 L101 | D54-F58 WeakPolarHBondContact O-CA 3.12Å; D54-F58 WeakPolarHBondContact O-CB 3.49Å; D54-F58 PolarHBondContact O-N 3.04Å; D54-F58 WeakPolarHBondContact OD1-CD2 3.46Å; F58-H60 VanDerWaalsContact C-N 3.29Å; F58-H60 PolarHBondContact O-N 2.94Å; F58-L61 PolarHBondContact O-N 2.58Å; F58-S62 CarbonylContact O-C 3.57Å; F58-S62 PolarHBondContact O-N 2.78Å; F58-T97 HydrophobicContact CD1-CG2 4.43Å; F58-T97 HydrophobicContact CE1-CG2 4.04Å; F58-T97 HydrophobicContact CE2-CG2 4.39Å; F58-T97 HydrophobicContact CZ-CG2 4.03Å; F58-P99 WeakPolarHBondContact CZ-O 3.39Å; F58-L101 HydrophobicContact CE2-CD1 3.96Å; F58-L101 HydrophobicContact CE2-CG 4.17Å |
| 59 | G | 93.6 | Very high | 95.4 | Very high | 9 Ų | 9 | 39 Ų | 39 | 9% | 0.093 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -41.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L55 P63 Q66 | L55-G59 WeakPolarHBondContact O-CA 2.99Å; L55-G59 PolarHBondContact O-N 3.3Å; G59-P63 WeakPolarHBondContact O-CA 3.37Å; G59-P63 WeakPolarHBondContact O-CB 3.43Å; G59-Q66 PolarHBondContact O-NE2 2.94Å |
| 60 | H | 89.9 | Confident | 95.3 | Very high | 111 Ų | 111 | 39.3 Ų | 39.3 | 51% | 0.514 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -27.8 | 177.1 | -64.7 | -75.1 | 0 | 0 | 0 | 113.8 | F58 D217 | F58-H60 VanDerWaalsContact C-N 3.29Å; F58-H60 PolarHBondContact O-N 2.94Å; H60-D217 IonicContact CD2-OD2 3.18Å; H60-D217 IonicContact CE1-OD1 2.68Å; H60-D217 PolarHBondContact CE1-OD1 3.28Å; H60-D217 IonicContact CE1-OD2 3.7Å; H60-D217 IonicContact ND1-OD1 3.49Å; H60-D217 WeakPolarHBondContact NE2-CB 3.34Å; H60-D217 IonicContact NE2-OD1 2.81Å; H60-D217 PolarHBondContact NE2-OD1 3.45Å; H60-D217 IonicContact NE2-OD2 3.23Å; H60-D217 PolarHBondContact NE2-OD2 3.27Å |
| 61 | L | 90.3 | Very high | 95.3 | Very high | 134 Ų | 134 | 39.5 Ų | 39.5 | 70% | 0.702 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -30 | -176 | -62 | -178.9 | 0 | 0 | 0 | 112.5 | Y57 F58 | Y57-L61 WeakPolarHBondContact O-CD1 3.19Å; F58-L61 PolarHBondContact O-N 2.58Å |
| 62 | S | 91.3 | Very high | 95.2 | Very high | 34 Ų | 34 | 40.9 Ų | 40.9 | 24% | 0.238 | 22% | 0.221 | C | C | . | . | trans | -153.9 | 62.4 | -173.6 | -56 | 0 | 0 | 0 | 0 | 110.6 | F58 E64 R65 | F58-S62 CarbonylContact O-C 3.57Å; F58-S62 PolarHBondContact O-N 2.78Å; S62-E64 VanDerWaalsContact C-OE2 3.22Å; S62-E64 WeakPolarHBondContact CA-OE2 3.43Å; S62-E64 WeakPolarHBondContact CB-OE1 3.46Å; S62-E64 PolarHBondContact O-N 3.17Å; S62-R65 VanDerWaalsContact O-CB 3.29Å; S62-R65 WeakPolarHBondContact O-CB 3.26Å; S62-R65 VanDerWaalsContact O-CG 3.29Å; S62-R65 WeakPolarHBondContact O-CG 3.27Å; S62-R65 PolarHBondContact O-N 3.13Å; S62-R65 VanDerWaalsContact O-N 3.08Å | ||
| 63 | P | 91 | Very high | 95.1 | Very high | 69 Ų | 69 | 44.7 Ų | 44.7 | 45% | 0.448 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -29.9 | -175.6 | 23.7 | -34.4 | 0 | 0 | 0 | 113.4 | G59 R65 Q66 | G59-P63 WeakPolarHBondContact O-CA 3.37Å; G59-P63 WeakPolarHBondContact O-CB 3.43Å; P63-R65 PolarHBondContact O-N 2.91Å; P63-R65 VanDerWaalsContact O-N 3.13Å; P63-Q66 WeakPolarHBondContact O-CB 3.49Å; P63-Q66 WeakPolarHBondContact O-CG 3.19Å; P63-Q66 PolarHBondContact O-N 2.96Å |
| 64 | E | 94 | Very high | 95 | Very high | 110 Ų | 110 | 44.8 Ų | 44.8 | 51% | 0.514 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -25.1 | 177.3 | 68.3 | -74.2 | 171.7 | 0 | 0 | 113.2 | S62 Q66 T67 S68 | S62-E64 VanDerWaalsContact C-OE2 3.22Å; S62-E64 WeakPolarHBondContact CA-OE2 3.43Å; S62-E64 WeakPolarHBondContact CB-OE1 3.46Å; S62-E64 PolarHBondContact O-N 3.17Å; E64-Q66 PolarHBondContact O-N 2.67Å; E64-T67 PolarHBondContact O-N 3.49Å; E64-T67 PolarHBondContact O-OG1 3.46Å; E64-S68 WeakPolarHBondContact O-CB 3.5Å; E64-S68 PolarHBondContact O-N 3.41Å; E64-S68 PolarHBondContact O-OG 2.85Å |
| 65 | R | 92.9 | Very high | 95 | Very high | 22 Ų | 22 | 44.8 Ų | 44.8 | 8% | 0.083 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.5 | -32.1 | 175.3 | -65.8 | 170.5 | 56.6 | 82.9 | -5.9 | 112.1 | D54 S62 P63 T67 I69 | D54-R65 IonicContact OD1-CZ 3.76Å; D54-R65 IonicContact OD1-NE 2.73Å; D54-R65 IonicContact OD1-NH2 2.82Å; D54-R65 PolarHBondContact OD1-NH2 3.19Å; S62-R65 VanDerWaalsContact O-CB 3.29Å; S62-R65 WeakPolarHBondContact O-CB 3.26Å; S62-R65 VanDerWaalsContact O-CG 3.29Å; S62-R65 WeakPolarHBondContact O-CG 3.27Å; S62-R65 PolarHBondContact O-N 3.13Å; S62-R65 VanDerWaalsContact O-N 3.08Å; P63-R65 PolarHBondContact O-N 2.91Å; P63-R65 VanDerWaalsContact O-N 3.13Å; R65-T67 PolarHBondContact O-N 3.01Å; R65-I69 HydrophobicContact CG-CD1 4.19Å; R65-I69 PolarHBondContact O-N 3.33Å; R65-I69 VanDerWaalsContact O-N 3.09Å |
| 66 | Q | 91.7 | Very high | 95 | Very high | 29 Ų | 29 | 44.6 Ų | 44.6 | 14% | 0.136 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.6 | -23.2 | -175.5 | -57.2 | 175.4 | 31.8 | 0 | 0 | 112.6 | L55 G59 P63 E64 M235 | L55-Q66 HydrophobicContact CD2-CG 3.85Å; G59-Q66 PolarHBondContact O-NE2 2.94Å; P63-Q66 WeakPolarHBondContact O-CB 3.49Å; P63-Q66 WeakPolarHBondContact O-CG 3.19Å; P63-Q66 PolarHBondContact O-N 2.96Å; E64-Q66 PolarHBondContact O-N 2.67Å; Q66-M235 WeakPolarHBondContact O-CB 3.47Å; Q66-M235 WeakPolarHBondContact O-CG 3.18Å |
| 67 | T | 94.4 | Very high | 95.1 | Very high | 113 Ų | 113 | 45.1 Ų | 45.1 | 69% | 0.693 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -111.2 | -17.4 | -179 | 57.7 | 0 | 0 | 0 | 0 | 113.2 | E64 R65 | E64-T67 PolarHBondContact O-N 3.49Å; E64-T67 PolarHBondContact O-OG1 3.46Å; R65-T67 PolarHBondContact O-N 3.01Å |
| 68 | S | 95.5 | Very high | 95.1 | Very high | 65 Ų | 65 | 43.8 Ų | 43.8 | 46% | 0.455 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -106.5 | -31 | -175 | 60.1 | 0 | 0 | 0 | 0 | 114.9 | E64 | E64-S68 WeakPolarHBondContact O-CB 3.5Å; E64-S68 PolarHBondContact O-N 3.41Å; E64-S68 PolarHBondContact O-OG 2.85Å |
| 69 | I | 96.4 | Very high | 95.2 | Very high | 49 Ų | 49 | 43.2 Ų | 43.2 | 25% | 0.251 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -119 | 122.8 | -171.3 | -54.5 | 170.2 | 0 | 0 | 0 | 110.6 | R65 E73 R74 | R65-I69 HydrophobicContact CG-CD1 4.19Å; R65-I69 PolarHBondContact O-N 3.33Å; R65-I69 VanDerWaalsContact O-N 3.09Å; I69-E73 HydrophobicContact CG2-CB 3.64Å; I69-R74 HydrophobicContact CB-CG 3.92Å; I69-R74 HydrophobicContact CG2-CG 3.6Å; I69-R74 PolarHBondContact O-NE 3.35Å |
| 70 | P | 97.4 | Very high | 95.4 | Very high | 6 Ų | 6 | 43.7 Ų | 43.7 | 4% | 0.039 | 23% | 0.233 | C | C | . | . | trans | -61.1 | 148.6 | 176.9 | -20.8 | 32.9 | 0 | 0 | 0 | 112.7 | F72 E73 R74 M235 K240 | P70-F72 HydrophobicContact CB-CD1 3.7Å; P70-F72 HydrophobicContact CB-CD2 4.4Å; P70-F72 HydrophobicContact CB-CE1 3.26Å; P70-F72 HydrophobicContact CB-CE2 4.02Å; P70-F72 HydrophobicContact CB-CG 4.25Å; P70-F72 HydrophobicContact CB-CZ 3.43Å; P70-F72 VanDerWaalsContact CB-CZ 3.43Å; P70-F72 HydrophobicContact CG-CE1 4.02Å; P70-F72 HydrophobicContact CG-CE2 4.35Å; P70-F72 HydrophobicContact CG-CZ 3.74Å; P70-F72 PolarHBondContact O-N 3.38Å; P70-F72 VanDerWaalsContact O-N 3.14Å; P70-E73 WeakPolarHBondContact O-CA 3.38Å; P70-E73 WeakPolarHBondContact O-CB 3.28Å; P70-E73 PolarHBondContact O-N 2.92Å; P70-R74 PolarHBondContact O-N 3.13Å; P70-M235 CarbonylContact C-O 3.56Å; P70-M235 HydrophobicContact CG-SD 4.26Å; P70-K240 HydrophobicContact CG-CD 3.69Å | ||
| 71 | I | 97.9 | Very high | 95.6 | Very high | 6 Ų | 6 | 39.1 Ų | 39.1 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.6 | -30.1 | -177 | -169 | 62.2 | 0 | 0 | 0 | 112.8 | T47 Y51 D54 E73 R74 V75 M235 | T47-I71 HydrophobicContact CG2-CG2 4.08Å; Y51-I71 HydrophobicContact CD2-CD1 4.35Å; D54-I71 HydrophobicContact CB-CD1 4.48Å; I71-E73 PolarHBondContact O-N 3.49Å; I71-R74 HydrophobicContact CD1-CB 4.48Å; I71-R74 PolarHBondContact O-N 2.94Å; I71-V75 HydrophobicContact CD1-CG2 3.93Å; I71-V75 WeakPolarHBondContact O-CA 3.41Å; I71-V75 PolarHBondContact O-N 3.32Å; I71-M235 VanDerWaalsContact CB-O 3.31Å; I71-M235 WeakPolarHBondContact CB-O 3.22Å; I71-M235 PolarHBondContact N-O 3.48Å |
| 72 | F | 96.1 | Very high | 95.7 | Very high | 29 Ų | 29 | 33.6 Ų | 33.6 | 13% | 0.127 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -73.5 | -16 | 177.1 | 60.3 | -100.6 | 0 | 0 | 0 | 113.3 | P70 K240 L241 | P70-F72 HydrophobicContact CB-CD1 3.7Å; P70-F72 HydrophobicContact CB-CD2 4.4Å; P70-F72 HydrophobicContact CB-CE1 3.26Å; P70-F72 HydrophobicContact CB-CE2 4.02Å; P70-F72 HydrophobicContact CB-CG 4.25Å; P70-F72 HydrophobicContact CB-CZ 3.43Å; P70-F72 VanDerWaalsContact CB-CZ 3.43Å; P70-F72 HydrophobicContact CG-CE1 4.02Å; P70-F72 HydrophobicContact CG-CE2 4.35Å; P70-F72 HydrophobicContact CG-CZ 3.74Å; P70-F72 PolarHBondContact O-N 3.38Å; P70-F72 VanDerWaalsContact O-N 3.14Å; F72-K240 HydrophobicContact CE1-CB 4.26Å; F72-K240 HydrophobicContact CZ-CB 4.22Å; F72-L241 HydrophobicContact CD1-CD1 4.05Å; F72-L241 HydrophobicContact CD1-CD2 3.89Å; F72-L241 HydrophobicContact CD1-CG 3.91Å; F72-L241 HydrophobicContact CD2-CD2 4.05Å; F72-L241 HydrophobicContact CE1-CD1 4.34Å; F72-L241 HydrophobicContact CE1-CD2 3.64Å; F72-L241 HydrophobicContact CE1-CG 3.7Å; F72-L241 HydrophobicContact CE2-CD2 3.84Å; F72-L241 HydrophobicContact CG-CD2 4.09Å; F72-L241 HydrophobicContact CZ-CD2 3.63Å; F72-L241 HydrophobicContact CZ-CG 4.16Å |
| 73 | E | 96.9 | Very high | 95.4 | Very high | 84 Ų | 84 | 38.2 Ų | 38.2 | 39% | 0.393 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -91.6 | -34.4 | 169.9 | -73 | 175.7 | -136.5 | 0 | 0 | 111.9 | I69 P70 I71 L95 | I69-E73 HydrophobicContact CG2-CB 3.64Å; P70-E73 WeakPolarHBondContact O-CA 3.38Å; P70-E73 WeakPolarHBondContact O-CB 3.28Å; P70-E73 PolarHBondContact O-N 2.92Å; I71-E73 PolarHBondContact O-N 3.49Å; E73-L95 WeakPolarHBondContact O-CD2 3.49Å |
| 74 | R | 97.7 | Very high | 95.1 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.8 | -34.7 | 174.6 | -64.4 | -173.7 | -80.8 | 152.6 | -2.2 | 112.9 | D54 I69 P70 I71 M235 | D54-R74 IonicContact OD2-CZ 3.78Å; D54-R74 IonicContact OD2-NE 2.72Å; D54-R74 IonicContact OD2-NH1 3.7Å; D54-R74 PolarHBondContact OD2-NH1 3.14Å; I69-R74 HydrophobicContact CB-CG 3.92Å; I69-R74 HydrophobicContact CG2-CG 3.6Å; I69-R74 PolarHBondContact O-NE 3.35Å; P70-R74 PolarHBondContact O-N 3.13Å; I71-R74 HydrophobicContact CD1-CB 4.48Å; I71-R74 PolarHBondContact O-N 2.94Å; R74-M235 PolarHBondContact NH2-O 2.81Å |
| 75 | V | 98.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -129.6 | 82.1 | 179.7 | -171.8 | 0 | 0 | 0 | 0 | 109 | I38 I71 L101 K103 | I38-V75 HydrophobicContact CD1-CG1 3.78Å; I71-V75 HydrophobicContact CD1-CG2 3.93Å; I71-V75 WeakPolarHBondContact O-CA 3.41Å; I71-V75 PolarHBondContact O-N 3.32Å; V75-L101 WeakPolarHBondContact CA-O 3.36Å; V75-L101 HydrophobicContact CB-CB 4.44Å; V75-L101 HydrophobicContact CG1-CB 4.12Å; V75-L101 HydrophobicContact CG2-CB 3.85Å; V75-L101 HydrophobicContact CG2-CD1 4.19Å; V75-K103 HydrophobicContact CG1-CB 3.98Å; V75-K103 HydrophobicContact CG1-CG 4.4Å |
| 76 | P | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -59.4 | 141.8 | -174.4 | -27.4 | 38.5 | 0 | 0 | 0 | 112.4 | L78 L91 A92 L95 L101 K103 | P76-L78 PolarHBondContact O-N 3.17Å; P76-L91 HydrophobicContact CB-CB 4.13Å; P76-L91 HydrophobicContact CB-CD2 3.77Å; P76-L91 HydrophobicContact CB-CG 3.9Å; P76-L91 HydrophobicContact CG-CB 4.29Å; P76-L91 HydrophobicContact CG-CD2 3.81Å; P76-L91 HydrophobicContact CG-CG 3.64Å; P76-A92 HydrophobicContact CB-CB 4.1Å; P76-A92 HydrophobicContact CG-CB 4.36Å; P76-L95 HydrophobicContact CG-CD1 3.73Å; P76-L95 HydrophobicContact CG-CD2 4.08Å; P76-L95 HydrophobicContact CG-CG 3.88Å; P76-L101 VanDerWaalsContact CD-O 3.3Å; P76-L101 WeakPolarHBondContact CD-O 3.41Å; P76-K103 PolarHBondContact O-N 3.44Å | ||
| 77 | F | 98.6 | Very high | 94.9 | Very high | 33 Ų | 33 | 36.9 Ų | 36.9 | 15% | 0.145 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -85.5 | 94 | 177 | -172.7 | -171.8 | 0 | 0 | 0 | 110.4 | E79 I80 G88 K103 H105 Y166 | F77-E79 VanDerWaalsContact C-N 3.31Å; F77-E79 HydrophobicContact CD2-CG 4.4Å; F77-E79 HydrophobicContact CE2-CG 3.81Å; F77-E79 WeakPolarHBondContact CE2-OE1 3.42Å; F77-E79 WeakPolarHBondContact CE2-OE2 3.36Å; F77-E79 HydrophobicContact CZ-CG 4.17Å; F77-E79 PolarHBondContact O-N 2.81Å; F77-I80 HydrophobicContact CB-CB 4.01Å; F77-I80 HydrophobicContact CB-CG2 3.85Å; F77-I80 HydrophobicContact CD1-CB 3.56Å; F77-I80 HydrophobicContact CD1-CD1 3.92Å; F77-I80 HydrophobicContact CD1-CG1 4Å; F77-I80 HydrophobicContact CD1-CG2 4.29Å; F77-I80 HydrophobicContact CE1-CB 4.18Å; F77-I80 HydrophobicContact CE1-CD1 3.87Å; F77-I80 HydrophobicContact CE1-CG1 4.44Å; F77-I80 HydrophobicContact CG-CB 3.9Å; F77-I80 HydrophobicContact CG-CG2 4.32Å; F77-I80 VanDerWaalsContact O-CG2 3.23Å; F77-I80 WeakPolarHBondContact O-CG2 3.5Å; F77-I80 PolarHBondContact O-N 2.9Å; F77-G88 VanDerWaalsContact O-CA 3.26Å; F77-G88 WeakPolarHBondContact O-CA 3.47Å; F77-K103 HydrophobicContact CB-CD 4.41Å; F77-K103 HydrophobicContact CB-CG 4.13Å; F77-K103 HydrophobicContact CD2-CG 4.14Å; F77-K103 HydrophobicContact CG-CG 4.39Å; F77-H105 HydrophobicContact CE2-CB 4.37Å; F77-H105 AromaticContact CE2-CD2 3.72Å; F77-H105 HydrophobicContact CZ-CB 4.47Å; F77-H105 AromaticContact CZ-CD2 3.43Å; F77-H105 VanDerWaalsContact CZ-CD2 3.43Å; F77-H105 WeakPolarHBondContact CZ-CD2 3.43Å; F77-Y166 WeakPolarHBondContact CZ-OH 3.24Å |
| 78 | L | 98.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -40.7 | -53.1 | -166.2 | 178.8 | 62 | 0 | 0 | 0 | 114.7 | V26 F29 P76 G88 A89 I102 K103 P112 F115 | V26-L78 HydrophobicContact CG1-CD2 4.4Å; V26-L78 HydrophobicContact CG1-CG 4.16Å; F29-L78 HydrophobicContact CB-CD1 4.29Å; F29-L78 HydrophobicContact CD1-CD1 4.19Å; F29-L78 HydrophobicContact CD2-CD1 3.87Å; F29-L78 HydrophobicContact CE2-CD1 4.22Å; F29-L78 HydrophobicContact CG-CD1 3.84Å; P76-L78 PolarHBondContact O-N 3.17Å; L78-G88 CarbonylContact O-C 3.55Å; L78-A89 HydrophobicContact CD1-CB 4.17Å; L78-A89 PolarHBondContact O-N 3.34Å; L78-I102 HydrophobicContact CB-CG2 3.84Å; L78-I102 HydrophobicContact CD1-CG2 4.36Å; L78-K103 WeakPolarHBondContact CB-O 3.31Å; L78-K103 PolarHBondContact N-O 2.78Å; L78-P112 HydrophobicContact CD2-CG 3.96Å; L78-F115 HydrophobicContact CD2-CE2 3.86Å; L78-F115 HydrophobicContact CD2-CZ 4.43Å |
| 79 | E | 98.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -4.8 | -173.9 | 65.8 | -90.8 | -145.6 | 0 | 0 | 115.4 | V19 V26 F77 A81 T104 H105 L106 Y166 | V19-E79 CarbonylContact C-O 3.56Å; V19-E79 VanDerWaalsContact CA-O 3.27Å; V19-E79 WeakPolarHBondContact CA-O 3.46Å; V19-E79 HydrophobicContact CB-CB 4.47Å; V19-E79 HydrophobicContact CB-CG 3.99Å; V19-E79 HydrophobicContact CG1-CG 4.23Å; V26-E79 HydrophobicContact CG1-CB 4.28Å; V26-E79 HydrophobicContact CG2-CB 4.27Å; F77-E79 VanDerWaalsContact C-N 3.31Å; F77-E79 HydrophobicContact CD2-CG 4.4Å; F77-E79 HydrophobicContact CE2-CG 3.81Å; F77-E79 WeakPolarHBondContact CE2-OE1 3.42Å; F77-E79 WeakPolarHBondContact CE2-OE2 3.36Å; F77-E79 HydrophobicContact CZ-CG 4.17Å; F77-E79 PolarHBondContact O-N 2.81Å; E79-A81 PolarHBondContact O-N 2.79Å; E79-T104 VanDerWaalsContact CD-OG1 3.24Å; E79-T104 PolarHBondContact OE1-OG1 2.87Å; E79-T104 VanDerWaalsContact OE1-OG1 3.08Å; E79-T104 WeakPolarHBondContact OE2-CA 3.31Å; E79-T104 WeakPolarHBondContact OE2-CB 3.44Å; E79-T104 PolarHBondContact OE2-OG1 3.42Å; E79-H105 WeakPolarHBondContact OE1-CA 3.39Å; E79-H105 PolarHBondContact OE1-N 2.86Å; E79-L106 HydrophobicContact CB-CD1 4.39Å; E79-L106 HydrophobicContact CB-CD2 4.41Å; E79-L106 HydrophobicContact CB-CG 4.45Å; E79-L106 HydrophobicContact CG-CD2 4.26Å; E79-L106 HydrophobicContact CG-CG 4.28Å; E79-L106 PolarHBondContact OE1-N 3Å; E79-Y166 HydrophobicContact CG-CE1 4.3Å; E79-Y166 WeakPolarHBondContact CG-OH 3.41Å; E79-Y166 WeakPolarHBondContact OE1-CE1 3.18Å; E79-Y166 PolarHBondContact OE1-OH 2.93Å |
| 80 | I | 96.7 | Very high | 95.3 | Very high | 19 Ų | 19 | 28.6 Ų | 28.6 | 10% | 0.097 | 17% | 0.172 | C | C | . | . | trans | -67.5 | 132.1 | -177.6 | -159.3 | 67.7 | 0 | 0 | 0 | 111.8 | V19 F77 V82 P87 G88 | V19-I80 HydrophobicContact CG1-CD1 4.41Å; F77-I80 HydrophobicContact CB-CB 4.01Å; F77-I80 HydrophobicContact CB-CG2 3.85Å; F77-I80 HydrophobicContact CD1-CB 3.56Å; F77-I80 HydrophobicContact CD1-CD1 3.92Å; F77-I80 HydrophobicContact CD1-CG1 4Å; F77-I80 HydrophobicContact CD1-CG2 4.29Å; F77-I80 HydrophobicContact CE1-CB 4.18Å; F77-I80 HydrophobicContact CE1-CD1 3.87Å; F77-I80 HydrophobicContact CE1-CG1 4.44Å; F77-I80 HydrophobicContact CG-CB 3.9Å; F77-I80 HydrophobicContact CG-CG2 4.32Å; F77-I80 VanDerWaalsContact O-CG2 3.23Å; F77-I80 WeakPolarHBondContact O-CG2 3.5Å; F77-I80 PolarHBondContact O-N 2.9Å; I80-V82 HydrophobicContact CD1-CG1 3.98Å; I80-V82 HydrophobicContact CG1-CG1 4.27Å; I80-V82 HydrophobicContact CG1-CG2 4.16Å; I80-P87 WeakPolarHBondContact O-CA 3.22Å; I80-G88 PolarHBondContact O-N 3.37Å | ||
| 81 | A | 95.1 | Very high | 95.3 | Very high | 16 Ų | 16 | 30.3 Ų | 30.3 | 13% | 0.132 | 18% | 0.181 | C | C | . | . | trans | -141.3 | 88 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | C18 D21 N22 E79 | C18-A81 WeakPolarHBondContact CA-O 3.42Å; C18-A81 CarbonylContact O-C 3.6Å; C18-A81 PolarHBondContact O-N 2.98Å; D21-A81 HydrophobicContact CB-CB 4.36Å; N22-A81 HydrophobicContact CB-CB 3.72Å; E79-A81 PolarHBondContact O-N 2.79Å | ||
| 82 | V | 91.7 | Very high | 95.3 | Very high | 18 Ų | 18 | 30 Ų | 30 | 11% | 0.109 | 18% | 0.179 | C | C | . | . | trans | -129.8 | 145.5 | 175.7 | -60.9 | 0 | 0 | 0 | 0 | 109.7 | C18 I80 T84 V85 V145 F243 | C18-V82 HydrophobicContact CB-CG1 3.48Å; C18-V82 VanDerWaalsContact CB-CG1 3.48Å; I80-V82 HydrophobicContact CD1-CG1 3.98Å; I80-V82 HydrophobicContact CG1-CG1 4.27Å; I80-V82 HydrophobicContact CG1-CG2 4.16Å; V82-T84 PolarHBondContact O-N 3.07Å; V82-V85 HydrophobicContact CG2-CG2 3.46Å; V82-V85 VanDerWaalsContact CG2-CG2 3.46Å; V82-V85 PolarHBondContact O-N 3.48Å; V82-V145 HydrophobicContact CG1-CB 4.34Å; V82-V145 HydrophobicContact CG1-CG1 4.06Å; V82-V145 HydrophobicContact CG1-CG2 4.43Å; V82-F243 HydrophobicContact CG2-CD1 4.46Å; V82-F243 HydrophobicContact CG2-CE1 4.11Å | ||
| 83 | S | 85.6 | Confident | 95.3 | Very high | 130 Ų | 130 | 31.1 Ų | 31.1 | 91% | 0.909 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -20.6 | -171.7 | 55.9 | 0 | 0 | 0 | 0 | 115.2 | ||
| 84 | T | 84.2 | Confident | 95.3 | Very high | 76 Ų | 76 | 35.7 Ų | 35.7 | 47% | 0.466 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -10.2 | -174.8 | 54.4 | 0 | 0 | 0 | 0 | 114.5 | V82 F243 | V82-T84 PolarHBondContact O-N 3.07Å; T84-F243 VanDerWaalsContact OG1-CD1 3.29Å; T84-F243 WeakPolarHBondContact OG1-CD1 3.36Å |
| 85 | V | 86.8 | Confident | 95.2 | Very high | 42 Ų | 42 | 36.2 Ų | 36.2 | 26% | 0.255 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -136.3 | 158.5 | 176 | -62.8 | 0 | 0 | 0 | 0 | 110.1 | V82 L241 F243 | V82-V85 HydrophobicContact CG2-CG2 3.46Å; V82-V85 VanDerWaalsContact CG2-CG2 3.46Å; V82-V85 PolarHBondContact O-N 3.48Å; V85-L241 HydrophobicContact CG1-CD2 3.88Å; V85-F243 HydrophobicContact CG1-CE1 4.26Å |
| 86 | A | 92.5 | Very high | 95 | Very high | 51 Ų | 51 | 41.8 Ų | 41.8 | 42% | 0.421 | 24% | 0.239 | S | C | . | . | trans | -59.3 | 140 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | G88 | A86-G88 PolarHBondContact O-N 2.68Š| ||
| 87 | P | 96.4 | Very high | 94.9 | Very high | 34 Ų | 34 | 42.6 Ų | 42.6 | 22% | 0.221 | 24% | 0.244 | C | C | . | . | trans | -56.7 | 139 | 174.7 | -24.3 | 33.5 | 0 | 0 | 0 | 111.7 | N22 I80 A89 E90 L91 | N22-P87 WeakPolarHBondContact ND2-CB 3.25Å; I80-P87 WeakPolarHBondContact O-CA 3.22Å; P87-A89 PolarHBondContact O-N 3.38Å; P87-E90 WeakPolarHBondContact CB-OE1 3.28Å; P87-E90 WeakPolarHBondContact CD-OE2 3.26Å; P87-E90 WeakPolarHBondContact CG-OE2 3.42Å; P87-E90 PolarHBondContact O-N 3.39Å; P87-L91 PolarHBondContact O-N 2.82Å | ||
| 88 | G | 97.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.6 | -43.6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | F77 L78 I80 A86 E90 L91 A92 | F77-G88 VanDerWaalsContact O-CA 3.26Å; F77-G88 WeakPolarHBondContact O-CA 3.47Å; L78-G88 CarbonylContact O-C 3.55Å; I80-G88 PolarHBondContact O-N 3.37Å; A86-G88 PolarHBondContact O-N 2.68Å; G88-E90 VanDerWaalsContact C-N 3.3Å; G88-E90 PolarHBondContact O-N 2.84Å; G88-L91 PolarHBondContact O-N 3.23Å; G88-A92 WeakPolarHBondContact O-CB 3.29Å; G88-A92 PolarHBondContact O-N 2.93Å |
| 89 | A | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.6 | -39.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K25 V26 F29 L78 P87 A92 D93 | K25-A89 HydrophobicContact CG-CB 3.8Å; V26-A89 HydrophobicContact CG2-CB 4.28Å; F29-A89 HydrophobicContact CD2-CB 4.18Å; L78-A89 HydrophobicContact CD1-CB 4.17Å; L78-A89 PolarHBondContact O-N 3.34Å; P87-A89 PolarHBondContact O-N 3.38Å; A89-A92 PolarHBondContact O-N 2.93Å; A89-D93 PolarHBondContact O-N 2.84Å |
| 90 | E | 97.4 | Very high | 94.8 | Very high | 52 Ų | 52 | 45.8 Ų | 45.8 | 24% | 0.243 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -72.7 | -36.5 | 177.8 | -68.9 | 146.8 | -138.3 | 0 | 0 | 112.3 | N22 P87 G88 D93 R94 | N22-E90 PolarHBondContact ND2-OE1 3.26Å; P87-E90 WeakPolarHBondContact CB-OE1 3.28Å; P87-E90 WeakPolarHBondContact CD-OE2 3.26Å; P87-E90 WeakPolarHBondContact CG-OE2 3.42Å; P87-E90 PolarHBondContact O-N 3.39Å; G88-E90 VanDerWaalsContact C-N 3.3Å; G88-E90 PolarHBondContact O-N 2.84Å; E90-D93 PolarHBondContact O-N 3.23Å; E90-R94 VanDerWaalsContact O-CG 3.31Å; E90-R94 WeakPolarHBondContact O-CG 3.4Å; E90-R94 PolarHBondContact O-N 3.43Å; E90-R94 PolarHBondContact O-NE 3.19Å |
| 91 | L | 97.1 | Very high | 94.9 | Very high | 41 Ų | 41 | 44.9 Ų | 44.9 | 22% | 0.215 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.8 | -42 | 174.1 | -179.6 | 64.6 | 0 | 0 | 0 | 110.7 | P76 P87 G88 D93 R94 L95 | P76-L91 HydrophobicContact CB-CB 4.13Å; P76-L91 HydrophobicContact CB-CD2 3.77Å; P76-L91 HydrophobicContact CB-CG 3.9Å; P76-L91 HydrophobicContact CG-CB 4.29Å; P76-L91 HydrophobicContact CG-CD2 3.81Å; P76-L91 HydrophobicContact CG-CG 3.64Å; P87-L91 PolarHBondContact O-N 2.82Å; G88-L91 PolarHBondContact O-N 3.23Å; L91-D93 VanDerWaalsContact C-N 3.35Å; L91-D93 PolarHBondContact O-N 3.2Å; L91-R94 PolarHBondContact O-N 3.39Å; L91-L95 PolarHBondContact O-N 3Å; L91-L95 VanDerWaalsContact O-N 3.15Å |
| 92 | A | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.4 | -38.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F29 P76 G88 A89 R94 L95 R100 I102 | F29-A92 HydrophobicContact CE2-CB 3.74Å; F29-A92 HydrophobicContact CZ-CB 3.81Å; P76-A92 HydrophobicContact CB-CB 4.1Å; P76-A92 HydrophobicContact CG-CB 4.36Å; G88-A92 WeakPolarHBondContact O-CB 3.29Å; G88-A92 PolarHBondContact O-N 2.93Å; A89-A92 PolarHBondContact O-N 2.93Å; A92-R94 VanDerWaalsContact C-N 3.28Å; A92-R94 PolarHBondContact O-N 3.36Å; A92-L95 PolarHBondContact O-N 3.07Å; A92-R100 WeakPolarHBondContact O-CD 3.06Å; A92-R100 PolarHBondContact O-NH1 2.89Å; A92-I102 HydrophobicContact CB-CD1 4.15Å; A92-I102 HydrophobicContact CB-CG1 4.18Å |
| 93 | D | 96.8 | Very high | 95.4 | Very high | 52 Ų | 52 | 44.6 Ų | 44.6 | 28% | 0.278 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.4 | -36.7 | 174.2 | -80.4 | -17.4 | 0 | 0 | 0 | 112.4 | K25 F29 R32 A89 E90 L91 R100 | K25-D93 WeakPolarHBondContact CE-OD2 3.2Å; K25-D93 IonicContact NZ-OD2 3.05Å; K25-D93 PolarHBondContact NZ-OD2 3.4Å; F29-D93 WeakPolarHBondContact CE2-OD1 3.47Å; R32-D93 PolarHBondContact NH2-O 3.27Å; A89-D93 PolarHBondContact O-N 2.84Å; E90-D93 PolarHBondContact O-N 3.23Å; L91-D93 VanDerWaalsContact C-N 3.35Å; L91-D93 PolarHBondContact O-N 3.2Å; D93-R100 IonicContact OD1-NH1 3.14Å |
| 94 | R | 96.3 | Very high | 96 | Very high | 181 Ų | 181 | 38.4 Ų | 38.4 | 68% | 0.683 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -89.3 | -3.6 | -175.9 | -64.9 | 178.2 | -140.4 | -170.8 | 5.1 | 114.4 | E90 L91 A92 P96 | E90-R94 VanDerWaalsContact O-CG 3.31Å; E90-R94 WeakPolarHBondContact O-CG 3.4Å; E90-R94 PolarHBondContact O-N 3.43Å; E90-R94 PolarHBondContact O-NE 3.19Å; L91-R94 PolarHBondContact O-N 3.39Å; A92-R94 VanDerWaalsContact C-N 3.28Å; A92-R94 PolarHBondContact O-N 3.36Å; R94-P96 WeakPolarHBondContact O-CD 3.15Å |
| 95 | L | 96.8 | Very high | 96.7 | Very high | 12 Ų | 12 | 35.8 Ų | 35.8 | 6% | 0.063 | 20% | 0.199 | C | C | . | . | trans | -57.7 | 125.5 | 178.2 | -82.5 | -178.3 | 0 | 0 | 0 | 110.5 | E73 P76 L91 A92 T97 R100 | E73-L95 WeakPolarHBondContact O-CD2 3.49Å; P76-L95 HydrophobicContact CG-CD1 3.73Å; P76-L95 HydrophobicContact CG-CD2 4.08Å; P76-L95 HydrophobicContact CG-CG 3.88Å; L91-L95 PolarHBondContact O-N 3Å; L91-L95 VanDerWaalsContact O-N 3.15Å; A92-L95 PolarHBondContact O-N 3.07Å; L95-T97 VanDerWaalsContact C-N 3.25Å; L95-T97 PolarHBondContact O-N 2.84Å; L95-R100 HydrophobicContact CB-CG 4.09Å; L95-R100 HydrophobicContact CD1-CB 3.95Å; L95-R100 HydrophobicContact CD1-CG 4.26Å | ||
| 96 | P | 94.4 | Very high | 97.3 | Very high | 119 Ų | 119 | 33.9 Ų | 33.9 | 77% | 0.773 | 19% | 0.187 | S | C | * | . | trans | -80.2 | -9.4 | 179.6 | 33.4 | -36.2 | 0 | 0 | 0 | 112.6 | R94 | R94-P96 WeakPolarHBondContact O-CD 3.15Š| ||
| 97 | T | 95.9 | Very high | 97.6 | Very high | 17 Ų | 17 | 31.7 Ų | 31.7 | 10% | 0.104 | 17% | 0.169 | C | C | . | . | trans | -83.3 | 148.8 | -176.2 | 58.8 | 0 | 0 | 0 | 0 | 112 | F58 L95 P99 R100 | F58-T97 HydrophobicContact CD1-CG2 4.43Å; F58-T97 HydrophobicContact CE1-CG2 4.04Å; F58-T97 HydrophobicContact CE2-CG2 4.39Å; F58-T97 HydrophobicContact CZ-CG2 4.03Å; L95-T97 VanDerWaalsContact C-N 3.25Å; L95-T97 PolarHBondContact O-N 2.84Å; T97-P99 PolarHBondContact OG1-O 3.23Å; T97-R100 WeakPolarHBondContact O-CG 3.33Å | ||
| 98 | S | 95.9 | Very high | 97.7 | Very high | 85 Ų | 85 | 31 Ų | 31 | 59% | 0.594 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -131 | 124.7 | 165.2 | 165.3 | 0 | 0 | 0 | 0 | 107.3 | D34 | D34-S98 WeakPolarHBondContact OD2-CB 3.33Å; D34-S98 PolarHBondContact OD2-OG 3.28Å |
| 99 | P | 97.9 | Very high | 97.7 | Very high | 13 Ų | 13 | 36.2 Ų | 36.2 | 8% | 0.084 | 19% | 0.188 | C | C | . | . | S | Bend | cis | -66.4 | 158.5 | -3.4 | 32.7 | -38 | 0 | 0 | 0 | 113 | D34 I36 Y57 F58 T97 | D34-P99 HydrophobicContact CB-CB 4.42Å; D34-P99 WeakPolarHBondContact O-CB 3.35Å; D34-P99 WeakPolarHBondContact OD2-CA 3.37Å; I36-P99 HydrophobicContact CD1-CB 4.3Å; I36-P99 HydrophobicContact CD1-CG 4.02Å; I36-P99 HydrophobicContact CG1-CB 4.35Å; Y57-P99 HydrophobicContact CD1-CG 3.58Å; Y57-P99 HydrophobicContact CD2-CG 4.3Å; Y57-P99 HydrophobicContact CE1-CG 3.46Å; Y57-P99 VanDerWaalsContact CE1-CG 3.46Å; Y57-P99 HydrophobicContact CE2-CG 4.18Å; Y57-P99 HydrophobicContact CG-CG 4.03Å; F58-P99 WeakPolarHBondContact CZ-O 3.39Å; T97-P99 PolarHBondContact OG1-O 3.23Å |
| 100 | R | 98.7 | Very high | 97.7 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.008 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -81.8 | 132.3 | 165.4 | -55.5 | -176.6 | -70.7 | -178.3 | 0.6 | 109 | Q30 D35 I36 A92 D93 L95 T97 I102 | Q30-R100 PolarHBondContact O-NH2 3.08Å; D35-R100 VanDerWaalsContact OD1-CB 3.26Å; D35-R100 WeakPolarHBondContact OD1-CB 3.38Å; D35-R100 WeakPolarHBondContact OD1-CG 3.27Å; D35-R100 IonicContact OD1-CZ 3.43Å; D35-R100 IonicContact OD1-NE 3.63Å; D35-R100 PolarHBondContact OD1-NE 3.48Å; D35-R100 IonicContact OD1-NH2 3.71Å; D35-R100 IonicContact OD2-CZ 2.59Å; D35-R100 IonicContact OD2-NE 3.39Å; D35-R100 PolarHBondContact OD2-NE 3.18Å; D35-R100 IonicContact OD2-NH2 3.81Å; D35-R100 PolarHBondContact OD2-NH2 3.4Å; I36-R100 PolarHBondContact N-O 3.13Å; A92-R100 WeakPolarHBondContact O-CD 3.06Å; A92-R100 PolarHBondContact O-NH1 2.89Å; D93-R100 IonicContact OD1-NH1 3.14Å; L95-R100 HydrophobicContact CB-CG 4.09Å; L95-R100 HydrophobicContact CD1-CB 3.95Å; L95-R100 HydrophobicContact CD1-CG 4.26Å; T97-R100 WeakPolarHBondContact O-CG 3.33Å; R100-I102 HydrophobicContact CB-CD1 4.17Å; R100-I102 HydrophobicContact CB-CG1 4.14Å |
| 101 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 119.8 | 169.1 | -57.8 | -178 | 0 | 0 | 0 | 107.8 | I36 L53 D54 Y57 F58 V75 P76 | I36-L101 HydrophobicContact CB-CD2 3.89Å; I36-L101 HydrophobicContact CD1-CD2 3.89Å; I36-L101 HydrophobicContact CG1-CD2 4.35Å; I36-L101 HydrophobicContact CG2-CD2 4.38Å; L53-L101 HydrophobicContact CB-CD1 3.9Å; L53-L101 HydrophobicContact CB-CD2 4.28Å; D54-L101 HydrophobicContact CB-CD1 3.96Å; Y57-L101 HydrophobicContact CD2-CD2 4.26Å; F58-L101 HydrophobicContact CE2-CD1 3.96Å; F58-L101 HydrophobicContact CE2-CG 4.17Å; V75-L101 WeakPolarHBondContact CA-O 3.36Å; V75-L101 HydrophobicContact CB-CB 4.44Å; V75-L101 HydrophobicContact CG1-CB 4.12Å; V75-L101 HydrophobicContact CG2-CB 3.85Å; V75-L101 HydrophobicContact CG2-CD1 4.19Å; P76-L101 VanDerWaalsContact CD-O 3.3Å; P76-L101 WeakPolarHBondContact CD-O 3.41Å |
| 102 | I | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 130.9 | -175.4 | -58 | 169.3 | 0 | 0 | 0 | 107.5 | F29 I36 L37 I38 L78 A92 R100 F115 | F29-I102 HydrophobicContact CE1-CD1 3.8Å; F29-I102 HydrophobicContact CZ-CD1 3.7Å; I36-I102 PolarHBondContact O-N 3.35Å; L37-I102 CarbonylContact C-O 3.55Å; L37-I102 WeakPolarHBondContact CA-O 3.39Å; L37-I102 HydrophobicContact CD1-CB 4.41Å; L37-I102 HydrophobicContact CD1-CG2 4.21Å; I38-I102 PolarHBondContact N-O 3Å; L78-I102 HydrophobicContact CB-CG2 3.84Å; L78-I102 HydrophobicContact CD1-CG2 4.36Å; A92-I102 HydrophobicContact CB-CD1 4.15Å; A92-I102 HydrophobicContact CB-CG1 4.18Å; R100-I102 HydrophobicContact CB-CD1 4.17Å; R100-I102 HydrophobicContact CB-CG1 4.14Å; I102-F115 HydrophobicContact CD1-CE1 4.25Å; I102-F115 HydrophobicContact CD1-CZ 3.99Å; I102-F115 HydrophobicContact CG2-CZ 4.45Å |
| 103 | K | 98.9 | Very high | 97.9 | Very high | 28 Ų | 28 | 38.4 Ų | 38.4 | 12% | 0.122 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 151.9 | 175.8 | 75.4 | 175.5 | -177.4 | 179.3 | 0 | 112 | I38 T46 V75 P76 F77 L78 | I38-K103 HydrophobicContact CB-CB 4.23Å; I38-K103 CarbonylContact O-C 3.57Å; I38-K103 VanDerWaalsContact O-CA 3.23Å; I38-K103 WeakPolarHBondContact O-CA 3.11Å; T46-K103 HydrophobicContact CG2-CB 4.05Å; T46-K103 HydrophobicContact CG2-CD 3.95Å; V75-K103 HydrophobicContact CG1-CB 3.98Å; V75-K103 HydrophobicContact CG1-CG 4.4Å; P76-K103 PolarHBondContact O-N 3.44Å; F77-K103 HydrophobicContact CB-CD 4.41Å; F77-K103 HydrophobicContact CB-CG 4.13Å; F77-K103 HydrophobicContact CD2-CG 4.14Å; F77-K103 HydrophobicContact CG-CG 4.39Å; L78-K103 WeakPolarHBondContact CB-O 3.31Å; L78-K103 PolarHBondContact N-O 2.78Å |
| 104 | T | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 156.6 | 173.6 | -168.8 | 0 | 0 | 0 | 0 | 111.5 | L37 I38 A39 T40 E79 L106 | L37-T104 HydrophobicContact CD1-CG2 3.7Å; L37-T104 HydrophobicContact CD2-CG2 4.08Å; L37-T104 HydrophobicContact CG-CG2 3.96Å; I38-T104 PolarHBondContact O-N 2.89Å; A39-T104 WeakPolarHBondContact CA-O 3.47Å; A39-T104 HydrophobicContact CB-CG2 3.92Å; T40-T104 PolarHBondContact N-O 3.42Å; E79-T104 VanDerWaalsContact CD-OG1 3.24Å; E79-T104 PolarHBondContact OE1-OG1 2.87Å; E79-T104 VanDerWaalsContact OE1-OG1 3.08Å; E79-T104 WeakPolarHBondContact OE2-CA 3.31Å; E79-T104 WeakPolarHBondContact OE2-CB 3.44Å; E79-T104 PolarHBondContact OE2-OG1 3.42Å; T104-L106 WeakPolarHBondContact OG1-CB 3.49Å; T104-L106 VanDerWaalsContact OG1-CG 3.29Å; T104-L106 WeakPolarHBondContact OG1-CG 3.19Å; T104-L106 PolarHBondContact OG1-N 2.81Å; T104-L106 VanDerWaalsContact OG1-N 3.09Å |
| 105 | H | 98.9 | Very high | 98.1 | Very high | 21 Ų | 21 | 28 Ų | 28 | 10% | 0.097 | 16% | 0.157 | C | C | . | . | trans | -114.3 | 6.8 | 167.3 | -67.3 | -45.4 | 0 | 0 | 0 | 112 | T40 P42 T46 F77 E79 Y166 H172 | T40-H105 VanDerWaalsContact O-CA 3.31Å; T40-H105 WeakPolarHBondContact O-CA 3.2Å; T40-H105 PolarHBondContact O-ND1 2.99Å; T40-H105 PolarHBondContact OG1-CE1 3.26Å; T40-H105 PolarHBondContact OG1-ND1 3.25Å; T40-H105 VanDerWaalsContact OG1-ND1 3.07Å; P42-H105 HydrophobicContact CG-CB 4.24Å; T46-H105 PolarHBondContact OG1-CE1 2.85Å; T46-H105 VanDerWaalsContact OG1-CE1 3.31Å; F77-H105 HydrophobicContact CE2-CB 4.37Å; F77-H105 AromaticContact CE2-CD2 3.72Å; F77-H105 HydrophobicContact CZ-CB 4.47Å; F77-H105 AromaticContact CZ-CD2 3.43Å; F77-H105 VanDerWaalsContact CZ-CD2 3.43Å; F77-H105 WeakPolarHBondContact CZ-CD2 3.43Å; E79-H105 WeakPolarHBondContact OE1-CA 3.39Å; E79-H105 PolarHBondContact OE1-N 2.86Å; H105-Y166 VanDerWaalsContact C-CD1 3.47Å; H105-Y166 HydrophobicContact CB-CD1 3.81Å; H105-Y166 HydrophobicContact CB-CD2 3.74Å; H105-Y166 HydrophobicContact CB-CE1 3.57Å; H105-Y166 HydrophobicContact CB-CE2 3.52Å; H105-Y166 HydrophobicContact CB-CG 3.89Å; H105-Y166 VanDerWaalsContact CB-CZ 3.44Å; H105-Y166 WeakPolarHBondContact O-CD1 3.49Å; H105-H172 PolarHBondContact O-NE2 3.09Å | ||
| 106 | L | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | trans | -62.2 | 135.9 | 178.9 | -66.1 | 172.2 | 0 | 0 | 0 | 111.2 | M15 W23 V26 E79 T104 L110 V111 Y166 H172 W176 | M15-L106 HydrophobicContact CE-CD2 4.06Å; W23-L106 HydrophobicContact CH2-CD1 4.44Å; W23-L106 HydrophobicContact CZ3-CD1 4Å; W23-L106 HydrophobicContact CZ3-CD2 4.06Å; V26-L106 HydrophobicContact CG1-CD1 4.06Å; E79-L106 HydrophobicContact CB-CD1 4.39Å; E79-L106 HydrophobicContact CB-CD2 4.41Å; E79-L106 HydrophobicContact CB-CG 4.45Å; E79-L106 HydrophobicContact CG-CD2 4.26Å; E79-L106 HydrophobicContact CG-CG 4.28Å; E79-L106 PolarHBondContact OE1-N 3Å; T104-L106 WeakPolarHBondContact OG1-CB 3.49Å; T104-L106 VanDerWaalsContact OG1-CG 3.29Å; T104-L106 WeakPolarHBondContact OG1-CG 3.19Å; T104-L106 PolarHBondContact OG1-N 2.81Å; T104-L106 VanDerWaalsContact OG1-N 3.09Å; L106-L110 HydrophobicContact CB-CB 4.17Å; L106-L110 HydrophobicContact CD2-CB 4.12Å; L106-L110 HydrophobicContact CD2-CD1 4.47Å; L106-V111 HydrophobicContact CB-CG2 4.46Å; L106-Y166 HydrophobicContact CD2-CE1 4.21Å; L106-H172 PolarHBondContact O-NE2 3.43Å; L106-W176 PolarHBondContact O-NE1 3.37Å | ||
| 107 | P | 98.7 | Very high | 98.4 | Very high | 6 Ų | 6 | 28.5 Ų | 28.5 | 4% | 0.039 | 15% | 0.151 | C | C | . | . | trans | -64.4 | 155.5 | 167.9 | 30.4 | -35.6 | 0 | 0 | 0 | 109.7 | V13 Q109 L110 V111 | V13-P107 HydrophobicContact CG1-CG 4.28Å; V13-P107 HydrophobicContact CG2-CG 3.98Å; P107-Q109 PolarHBondContact O-N 3.01Å; P107-L110 HydrophobicContact CG-CB 4.24Å; P107-L110 HydrophobicContact CG-CD1 3.88Å; P107-L110 HydrophobicContact CG-CG 4.03Å; P107-L110 PolarHBondContact O-N 3.04Å; P107-V111 PolarHBondContact O-N 2.75Å | ||
| 108 | V | 98.3 | Very high | 98.5 | Very high | 20 Ų | 20 | 31.7 Ų | 31.7 | 12% | 0.121 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -46.6 | -42.9 | -171.4 | 176.6 | 0 | 0 | 0 | 0 | 113.3 | L110 V111 W116 N175 W176 K179 | V108-L110 PolarHBondContact O-N 2.76Å; V108-V111 PolarHBondContact O-N 3.27Å; V108-W116 HydrophobicContact CG1-CH2 4.21Å; V108-W116 HydrophobicContact CG1-CZ2 4Å; V108-N175 HydrophobicContact CG2-CB 4.31Å; V108-W176 HydrophobicContact CG2-CB 4.12Å; V108-W176 HydrophobicContact CG2-CD2 3.45Å; V108-W176 VanDerWaalsContact CG2-CD2 3.45Å; V108-W176 HydrophobicContact CG2-CE3 4.07Å; V108-W176 HydrophobicContact CG2-CG 3.44Å; V108-W176 VanDerWaalsContact CG2-CG 3.44Å; V108-W176 HydrophobicContact CG2-CZ2 4.3Å; V108-K179 HydrophobicContact CG1-CD 4.06Å; V108-K179 HydrophobicContact CG1-CG 4.32Å |
| 109 | Q | 98.1 | Very high | 98.6 | Very high | 109 Ų | 109 | 31 Ų | 31 | 51% | 0.509 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | -69.7 | -13.9 | -177.1 | 71.3 | -81.3 | 8.8 | 0 | 0 | 114.5 | P107 | P107-Q109 PolarHBondContact O-N 3.01Š|
| 110 | L | 98.8 | Very high | 98.7 | Very high | 15 Ų | 15 | 30.3 Ų | 30.3 | 8% | 0.079 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -106.3 | -6.6 | 178.6 | -64.4 | -173.8 | 0 | 0 | 0 | 112.8 | F10 H11 V13 M15 W23 L106 P107 V108 | F10-L110 HydrophobicContact CD1-CD1 4.45Å; H11-L110 HydrophobicContact CB-CD2 4.13Å; V13-L110 HydrophobicContact CB-CD1 4.35Å; V13-L110 HydrophobicContact CG2-CD1 4.05Å; M15-L110 HydrophobicContact CE-CD1 3.54Å; W23-L110 HydrophobicContact CH2-CB 3.93Å; W23-L110 HydrophobicContact CH2-CD2 4.26Å; W23-L110 WeakPolarHBondContact CH2-O 3.38Å; W23-L110 HydrophobicContact CZ2-CD2 4.21Å; L106-L110 HydrophobicContact CB-CB 4.17Å; L106-L110 HydrophobicContact CD2-CB 4.12Å; L106-L110 HydrophobicContact CD2-CD1 4.47Å; P107-L110 HydrophobicContact CG-CB 4.24Å; P107-L110 HydrophobicContact CG-CD1 3.88Å; P107-L110 HydrophobicContact CG-CG 4.03Å; P107-L110 PolarHBondContact O-N 3.04Å; V108-L110 PolarHBondContact O-N 2.76Å |
| 111 | V | 98.8 | Very high | 98.7 | Very high | 7 Ų | 7 | 33 Ų | 33 | 4% | 0.042 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -61.4 | 131.4 | 173.9 | 175.4 | 0 | 0 | 0 | 0 | 109.6 | L37 L106 P107 V108 Q113 F115 W116 W176 | L37-V111 HydrophobicContact CD2-CG1 3.67Å; L106-V111 HydrophobicContact CB-CG2 4.46Å; P107-V111 PolarHBondContact O-N 2.75Å; V108-V111 PolarHBondContact O-N 3.27Å; V111-Q113 PolarHBondContact O-N 3.13Å; V111-F115 HydrophobicContact CG1-CB 4.22Å; V111-F115 HydrophobicContact CG1-CD2 4.19Å; V111-W116 HydrophobicContact CB-CZ2 3.7Å; V111-W116 HydrophobicContact CG1-CZ2 3.78Å; V111-W116 HydrophobicContact CG2-CZ2 4.08Å; V111-W176 HydrophobicContact CG2-CH2 3.84Å; V111-W176 HydrophobicContact CG2-CZ2 3.55Å |
| 112 | P | 98.8 | Very high | 98.7 | Very high | 4 Ų | 4 | 33 Ų | 33 | 3% | 0.026 | 16% | 0.16 | C | C | . | . | trans | -55.6 | 138.1 | -177.8 | -28.1 | 36.3 | 0 | 0 | 0 | 112.9 | V26 F29 L78 S114 F115 | V26-P112 HydrophobicContact CG1-CG 4.24Å; V26-P112 WeakPolarHBondContact O-CG 2.89Å; F29-P112 HydrophobicContact CB-CB 4.46Å; F29-P112 HydrophobicContact CB-CG 4.43Å; L78-P112 HydrophobicContact CD2-CG 3.96Å; P112-S114 PolarHBondContact O-N 3.48Å; P112-S114 VanDerWaalsContact O-N 3.13Å; P112-F115 HydrophobicContact CB-CD2 4.07Å; P112-F115 HydrophobicContact CB-CE2 4.4Å; P112-F115 HydrophobicContact CG-CD2 4.25Å; P112-F115 HydrophobicContact CG-CE2 4.25Å; P112-F115 PolarHBondContact O-N 3.19Å; P112-F115 VanDerWaalsContact O-N 3.14Å | ||
| 113 | Q | 98.6 | Very high | 98.7 | Very high | 114 Ų | 114 | 33 Ų | 33 | 53% | 0.533 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -58.8 | -32.9 | -171.6 | -172.5 | 56.7 | 46 | 0 | 0 | 112.8 | V111 F115 W116 D117 | V111-Q113 PolarHBondContact O-N 3.13Å; Q113-F115 VanDerWaalsContact C-N 3.27Å; Q113-F115 PolarHBondContact O-N 3.39Å; Q113-W116 WeakPolarHBondContact O-CB 3.37Å; Q113-W116 PolarHBondContact O-N 2.99Å; Q113-D117 PolarHBondContact NE2-OD1 3.45Å; Q113-D117 PolarHBondContact O-N 3.41Å |
| 114 | S | 98.8 | Very high | 98.7 | Very high | 14 Ų | 14 | 31.7 Ų | 31.7 | 10% | 0.098 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.5 | -32.1 | -179.9 | 63.8 | 0 | 0 | 0 | 0 | 113.8 | F29 A31 P112 W116 D117 Q118 | F29-S114 VanDerWaalsContact O-CB 3.31Å; F29-S114 WeakPolarHBondContact O-CB 3.44Å; F29-S114 PolarHBondContact O-OG 3.47Å; A31-S114 PolarHBondContact N-OG 3.21Å; P112-S114 PolarHBondContact O-N 3.48Å; P112-S114 VanDerWaalsContact O-N 3.13Å; S114-W116 VanDerWaalsContact C-N 3.3Å; S114-W116 PolarHBondContact O-N 3.03Å; S114-D117 PolarHBondContact O-N 2.94Å; S114-Q118 VanDerWaalsContact O-CB 3.25Å; S114-Q118 WeakPolarHBondContact O-CB 3.31Å; S114-Q118 WeakPolarHBondContact O-CG 3.3Å; S114-Q118 PolarHBondContact O-N 3.27Å |
| 115 | F | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.4 | -35.3 | 176.5 | -77.4 | -76.1 | 0 | 0 | 0 | 112.3 | F29 A31 D35 L37 L78 I102 V111 P112 Q113 C120 M122 | F29-F115 AromaticContact CD1-CE2 3.75Å; F29-F115 HydrophobicContact CD1-CE2 3.75Å; F29-F115 AromaticContact CD1-CZ 3.85Å; F29-F115 HydrophobicContact CD1-CZ 3.85Å; F29-F115 HydrophobicContact CE1-CE2 4.09Å; F29-F115 AromaticContact CE1-CZ 3.68Å; F29-F115 HydrophobicContact CE1-CZ 3.68Å; A31-F115 HydrophobicContact CB-CB 4.44Å; A31-F115 HydrophobicContact CB-CD1 3.64Å; A31-F115 HydrophobicContact CB-CD2 4.29Å; A31-F115 HydrophobicContact CB-CE1 3.86Å; A31-F115 HydrophobicContact CB-CE2 4.48Å; A31-F115 HydrophobicContact CB-CG 3.86Å; A31-F115 HydrophobicContact CB-CZ 4.27Å; D35-F115 HydrophobicContact CB-CE1 4.24Å; L37-F115 HydrophobicContact CB-CD1 4.06Å; L37-F115 HydrophobicContact CB-CE1 4.05Å; L37-F115 HydrophobicContact CD1-CE1 4.05Å; L37-F115 HydrophobicContact CD1-CE2 4.19Å; L37-F115 HydrophobicContact CD1-CZ 3.86Å; L37-F115 HydrophobicContact CD2-CD1 4.31Å; L37-F115 HydrophobicContact CD2-CD2 4.31Å; L37-F115 HydrophobicContact CD2-CG 4.16Å; L37-F115 HydrophobicContact CG-CE1 4.46Å; L78-F115 HydrophobicContact CD2-CE2 3.86Å; L78-F115 HydrophobicContact CD2-CZ 4.43Å; I102-F115 HydrophobicContact CD1-CE1 4.25Å; I102-F115 HydrophobicContact CD1-CZ 3.99Å; I102-F115 HydrophobicContact CG2-CZ 4.45Å; V111-F115 HydrophobicContact CG1-CB 4.22Å; V111-F115 HydrophobicContact CG1-CD2 4.19Å; P112-F115 HydrophobicContact CB-CD2 4.07Å; P112-F115 HydrophobicContact CB-CE2 4.4Å; P112-F115 HydrophobicContact CG-CD2 4.25Å; P112-F115 HydrophobicContact CG-CE2 4.25Å; P112-F115 PolarHBondContact O-N 3.19Å; P112-F115 VanDerWaalsContact O-N 3.14Å; Q113-F115 VanDerWaalsContact C-N 3.27Å; Q113-F115 PolarHBondContact O-N 3.39Å; F115-C120 HydrophobicContact CD1-CB 3.99Å; F115-C120 WeakPolarHBondContact O-CB 3.23Å; F115-C120 PolarHBondContact O-N 3.41Å; F115-C120 VanDerWaalsContact O-N 3.08Å; F115-M122 HydrophobicContact CB-CE 3.73Å |
| 116 | W | 98.3 | Very high | 98.7 | Very high | 31 Ų | 31 | 30.7 Ų | 30.7 | 12% | 0.117 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -74.5 | -45.6 | 175.9 | -50 | 116.6 | 0 | 0 | 0 | 110.7 | V108 V111 Q113 S114 Q118 N119 M122 W176 K179 Y183 | V108-W116 HydrophobicContact CG1-CH2 4.21Å; V108-W116 HydrophobicContact CG1-CZ2 4Å; V111-W116 HydrophobicContact CB-CZ2 3.7Å; V111-W116 HydrophobicContact CG1-CZ2 3.78Å; V111-W116 HydrophobicContact CG2-CZ2 4.08Å; Q113-W116 WeakPolarHBondContact O-CB 3.37Å; Q113-W116 PolarHBondContact O-N 2.99Å; S114-W116 VanDerWaalsContact C-N 3.3Å; S114-W116 PolarHBondContact O-N 3.03Å; W116-Q118 PolarHBondContact O-N 3.26Å; W116-N119 PolarHBondContact O-N 3.15Å; W116-M122 HydrophobicContact CD2-CE 3.89Å; W116-M122 HydrophobicContact CE3-CE 3.4Å; W116-M122 HydrophobicContact CE3-SD 4.03Å; W116-M122 HydrophobicContact CH2-CE 3.72Å; W116-M122 HydrophobicContact CH2-SD 3.49Å; W116-M122 WeakPolarHBondContact CH2-SD 3.47Å; W116-M122 HydrophobicContact CZ2-CE 4.19Å; W116-M122 HydrophobicContact CZ2-SD 4.4Å; W116-M122 HydrophobicContact CZ3-CE 3.3Å; W116-M122 HydrophobicContact CZ3-SD 3.27Å; W116-M122 WeakPolarHBondContact CZ3-SD 3.47Å; W116-W176 HydrophobicContact CH2-CH2 4.26Å; W116-W176 HydrophobicContact CH2-CZ3 4.19Å; W116-K179 HydrophobicContact CH2-CD 4.31Å; W116-K179 HydrophobicContact CH2-CG 4.04Å; W116-K179 HydrophobicContact CZ3-CD 4.28Å; W116-K179 HydrophobicContact CZ3-CG 4.06Å; W116-Y183 HydrophobicContact CE3-CD2 4.06Å; W116-Y183 HydrophobicContact CE3-CE1 4.5Å; W116-Y183 AromaticContact CE3-CE2 3.9Å; W116-Y183 HydrophobicContact CE3-CE2 3.9Å; W116-Y183 HydrophobicContact CE3-CG 4.41Å; W116-Y183 HydrophobicContact CZ3-CD1 4.27Å; W116-Y183 HydrophobicContact CZ3-CD2 4.32Å; W116-Y183 HydrophobicContact CZ3-CE1 4.37Å; W116-Y183 HydrophobicContact CZ3-CE2 4.44Å; W116-Y183 HydrophobicContact CZ3-CG 4.22Å |
| 117 | D | 98.4 | Very high | 98.7 | Very high | 110 Ų | 110 | 31.2 Ų | 31.2 | 59% | 0.588 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -64.8 | -39.5 | -177.1 | -63.1 | -11.6 | 0 | 0 | 0 | 112.1 | Q113 S114 N119 | Q113-D117 PolarHBondContact NE2-OD1 3.45Å; Q113-D117 PolarHBondContact O-N 3.41Å; S114-D117 PolarHBondContact O-N 2.94Å; D117-N119 PolarHBondContact O-N 3.22Å |
| 118 | Q | 98.4 | Very high | 98.7 | Very high | 84 Ų | 84 | 31 Ų | 31 | 39% | 0.393 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -1.4 | 175.8 | -62.9 | -60.4 | -36.6 | 0 | 0 | 113 | A31 S114 W116 C120 | A31-Q118 HydrophobicContact CB-CG 4.46Å; S114-Q118 VanDerWaalsContact O-CB 3.25Å; S114-Q118 WeakPolarHBondContact O-CB 3.31Å; S114-Q118 WeakPolarHBondContact O-CG 3.3Å; S114-Q118 PolarHBondContact O-N 3.27Å; W116-Q118 PolarHBondContact O-N 3.26Å; Q118-C120 PolarHBondContact O-N 2.98Å |
| 119 | N | 98.2 | Very high | 98.7 | Very high | 70 Ų | 70 | 30 Ų | 30 | 37% | 0.374 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 46.8 | -178.5 | -167.8 | 25.2 | 0 | 0 | 0 | 111.4 | W116 D117 Y183 K185 | W116-N119 PolarHBondContact O-N 3.15Å; D117-N119 PolarHBondContact O-N 3.22Å; N119-Y183 VanDerWaalsContact CA-OH 3.27Å; N119-Y183 WeakPolarHBondContact CA-OH 3.48Å; N119-Y183 PolarHBondContact OD1-OH 2.95Å; N119-K185 WeakPolarHBondContact ND2-CE 3.46Å; N119-K185 PolarHBondContact ND2-NZ 3.39Å; N119-K185 WeakPolarHBondContact O-CD 3.3Å; N119-K185 PolarHBondContact O-NZ 2.93Å; N119-K185 WeakPolarHBondContact OD1-CD 3.24Å |
| 120 | C | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -64.5 | 155.9 | -179.8 | -63.6 | 0 | 0 | 0 | 0 | 111 | R32 F115 Q118 Y183 | R32-C120 PolarHBondContact O-SG 3.01Å; F115-C120 HydrophobicContact CD1-CB 3.99Å; F115-C120 WeakPolarHBondContact O-CB 3.23Å; F115-C120 PolarHBondContact O-N 3.41Å; F115-C120 VanDerWaalsContact O-N 3.08Å; Q118-C120 PolarHBondContact O-N 2.98Å; C120-Y183 PolarHBondContact N-OH 3.4Å; C120-Y183 VanDerWaalsContact N-OH 3.13Å; C120-Y183 WeakPolarHBondContact O-CE1 3.49Å; C120-Y183 PolarHBondContact O-OH 2.88Å | ||
| 121 | R | 98.7 | Very high | 98.7 | Very high | 58 Ų | 58 | 24.6 Ų | 24.6 | 22% | 0.219 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 140.4 | 171 | -74.6 | 178.5 | -73.4 | -171.4 | -3.4 | 109.7 | D35 I36 L37 Y57 K185 F208 L209 | D35-R121 PolarHBondContact O-N 3.46Å; I36-R121 WeakPolarHBondContact CA-O 3.41Å; I36-R121 HydrophobicContact CG1-CB 4.28Å; L37-R121 PolarHBondContact N-O 3.14Å; Y57-R121 PolarHBondContact OH-NH2 3.47Å; R121-K185 HydrophobicContact CG-CD 4.23Å; R121-F208 HydrophobicContact CB-CE1 4.26Å; R121-F208 HydrophobicContact CB-CZ 4.21Å; R121-F208 HydrophobicContact CG-CZ 4.26Å; R121-L209 PolarHBondContact NH1-O 3.14Å |
| 122 | M | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 133.7 | 179.7 | -57.3 | -169.8 | 178.2 | 0 | 0 | 110.3 | L37 F115 W116 W176 Y183 K185 L186 H187 | L37-M122 HydrophobicContact CB-CG 4.21Å; L37-M122 HydrophobicContact CD2-CE 4.2Å; L37-M122 HydrophobicContact CD2-SD 4.33Å; L37-M122 CarbonylContact O-C 3.56Å; L37-M122 VanDerWaalsContact O-CA 3.28Å; L37-M122 WeakPolarHBondContact O-CA 3.2Å; F115-M122 HydrophobicContact CB-CE 3.73Å; W116-M122 HydrophobicContact CD2-CE 3.89Å; W116-M122 HydrophobicContact CE3-CE 3.4Å; W116-M122 HydrophobicContact CE3-SD 4.03Å; W116-M122 HydrophobicContact CH2-CE 3.72Å; W116-M122 HydrophobicContact CH2-SD 3.49Å; W116-M122 WeakPolarHBondContact CH2-SD 3.47Å; W116-M122 HydrophobicContact CZ2-CE 4.19Å; W116-M122 HydrophobicContact CZ2-SD 4.4Å; W116-M122 HydrophobicContact CZ3-CE 3.3Å; W116-M122 HydrophobicContact CZ3-SD 3.27Å; W116-M122 WeakPolarHBondContact CZ3-SD 3.47Å; M122-W176 HydrophobicContact SD-CH2 4.14Å; M122-W176 HydrophobicContact SD-CZ3 3.91Å; M122-Y183 HydrophobicContact CE-CE1 4.31Å; M122-Y183 HydrophobicContact CG-CE1 4.1Å; M122-Y183 HydrophobicContact SD-CE1 4.11Å; M122-K185 PolarHBondContact N-O 3.37Å; M122-L186 HydrophobicContact CB-CB 4.36Å; M122-L186 HydrophobicContact CB-CD1 3.54Å; M122-L186 CarbonylContact O-C 3.52Å; M122-L186 WeakPolarHBondContact O-CA 3.32Å; M122-H187 PolarHBondContact O-N 3.26Å |
| 123 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 114.9 | 173.4 | -179.8 | 0 | 0 | 0 | 0 | 107.1 | I36 L37 I38 A39 V49 L53 H187 M189 L205 F208 | I36-V123 HydrophobicContact CG2-CG2 4.23Å; L37-V123 PolarHBondContact O-N 3.35Å; I38-V123 CarbonylContact C-O 3.6Å; I38-V123 WeakPolarHBondContact CA-O 3.43Å; A39-V123 PolarHBondContact N-O 2.88Å; V49-V123 HydrophobicContact CG2-CG1 3.87Å; L53-V123 HydrophobicContact CD1-CG2 4.32Å; V123-H187 WeakPolarHBondContact CA-O 3.36Å; V123-M189 HydrophobicContact CG1-SD 3.81Å; V123-L205 HydrophobicContact CG1-CD1 4.13Å; V123-L205 HydrophobicContact CG2-CD1 3.83Å; V123-F208 HydrophobicContact CG2-CD1 4.5Å; V123-F208 HydrophobicContact CG2-CE1 4.08Å |
| 124 | Y | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 129.6 | 175.4 | -173.1 | -90.7 | 0 | 0 | 0 | 110.8 | A39 A126 H172 V173 W176 H187 Y188 M189 | A39-Y124 HydrophobicContact CB-CD2 3.78Å; A39-Y124 HydrophobicContact CB-CE2 4.44Å; A39-Y124 VanDerWaalsContact O-CA 3.22Å; A39-Y124 WeakPolarHBondContact O-CA 3.25Å; A39-Y124 WeakPolarHBondContact O-CD2 3.49Å; Y124-A126 HydrophobicContact CD1-CB 4.3Å; Y124-A126 HydrophobicContact CE1-CB 3.77Å; Y124-H172 AromaticContact CE2-CE1 3.73Å; Y124-H172 AromaticContact CE2-ND1 3.8Å; Y124-H172 AromaticContact CZ-ND1 3.77Å; Y124-H172 PolarHBondContact OH-ND1 3Å; Y124-V173 WeakPolarHBondContact OH-CA 3.31Å; Y124-W176 HydrophobicContact CD1-CB 4.13Å; Y124-W176 HydrophobicContact CD2-CB 3.71Å; Y124-W176 AromaticContact CD2-CD1 3.81Å; Y124-W176 AromaticContact CD2-CD2 3.32Å; Y124-W176 HydrophobicContact CD2-CD2 3.32Å; Y124-W176 AromaticContact CD2-CE2 3.84Å; Y124-W176 AromaticContact CD2-CE3 3.69Å; Y124-W176 HydrophobicContact CD2-CE3 3.69Å; Y124-W176 AromaticContact CD2-CG 3.34Å; Y124-W176 HydrophobicContact CD2-CG 3.34Å; Y124-W176 HydrophobicContact CD2-CZ3 4.46Å; Y124-W176 HydrophobicContact CE1-CB 3.96Å; Y124-W176 HydrophobicContact CE1-CG 4.45Å; Y124-W176 HydrophobicContact CE2-CB 3.58Å; Y124-W176 AromaticContact CE2-CD1 3.2Å; Y124-W176 AromaticContact CE2-CD2 3.6Å; Y124-W176 HydrophobicContact CE2-CD2 3.6Å; Y124-W176 AromaticContact CE2-CE2 3.9Å; Y124-W176 HydrophobicContact CE2-CE3 4.41Å; Y124-W176 AromaticContact CE2-CG 3.16Å; Y124-W176 HydrophobicContact CE2-CG 3.16Å; Y124-W176 AromaticContact CE2-NE1 3.63Å; Y124-W176 HydrophobicContact CG-CB 3.99Å; Y124-W176 HydrophobicContact CG-CD2 4.17Å; Y124-W176 HydrophobicContact CG-CE3 4.22Å; Y124-W176 HydrophobicContact CG-CG 4.1Å; Y124-W176 AromaticContact CZ-CD1 3.81Å; Y124-W176 AromaticContact CZ-CG 3.76Å; Y124-H187 PolarHBondContact N-O 3.02Å; Y124-Y188 HydrophobicContact CD1-CD1 4.4Å; Y124-Y188 AromaticContact CD1-CD2 3.44Å; Y124-Y188 HydrophobicContact CD1-CD2 3.44Å; Y124-Y188 VanDerWaalsContact CD1-CD2 3.44Å; Y124-Y188 HydrophobicContact CD1-CE1 4.16Å; Y124-Y188 AromaticContact CD1-CE2 3.13Å; Y124-Y188 HydrophobicContact CD1-CE2 3.13Å; Y124-Y188 HydrophobicContact CD1-CG 4.09Å; Y124-Y188 AromaticContact CD1-CZ 3.54Å; Y124-Y188 HydrophobicContact CE1-CD2 4.18Å; Y124-Y188 HydrophobicContact CE1-CE1 4.39Å; Y124-Y188 AromaticContact CE1-CE2 3.38Å; Y124-Y188 HydrophobicContact CE1-CE2 3.38Å; Y124-Y188 AromaticContact CE1-CZ 3.51Å; Y124-Y188 WeakPolarHBondContact CE1-OH 3.2Å; Y124-Y188 HydrophobicContact CG-CD2 4.07Å; Y124-Y188 HydrophobicContact CG-CE2 4.06Å; Y124-Y188 WeakPolarHBondContact O-CA 3.09Å; Y124-M189 PolarHBondContact O-N 3.25Å |
| 125 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 123.9 | 173 | -169.1 | 0 | 0 | 0 | 0 | 109.8 | A39 T40 A44 V49 M189 I194 | A39-V125 PolarHBondContact O-N 3.37Å; A39-V125 VanDerWaalsContact O-N 3.15Å; T40-V125 HydrophobicContact CG2-CB 3.74Å; T40-V125 HydrophobicContact CG2-CG2 4.3Å; T40-V125 WeakPolarHBondContact CG2-O 3.4Å; A44-V125 WeakPolarHBondContact CB-O 3.29Å; A44-V125 VanDerWaalsContact O-CG1 3.29Å; A44-V125 WeakPolarHBondContact O-CG1 3.33Å; V49-V125 HydrophobicContact CB-CG2 3.89Å; V49-V125 HydrophobicContact CG1-CG2 3.66Å; V49-V125 HydrophobicContact CG2-CG2 4.03Å; V125-M189 HydrophobicContact CG2-CB 4.31Å; V125-M189 HydrophobicContact CG2-SD 4.49Å; V125-I194 HydrophobicContact CG1-CD1 4.04Å |
| 126 | A | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.008 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 152.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y124 V173 Y188 M189 F190 Y191 F287 | Y124-A126 HydrophobicContact CD1-CB 4.3Å; Y124-A126 HydrophobicContact CE1-CB 3.77Å; A126-V173 HydrophobicContact CB-CG1 4.41Å; A126-Y188 HydrophobicContact CB-CE1 3.52Å; A126-Y188 WeakPolarHBondContact CB-OH 3.27Å; A126-M189 PolarHBondContact N-O 3.13Å; A126-F190 HydrophobicContact CB-CD1 4.29Å; A126-F190 HydrophobicContact CB-CE1 4.49Å; A126-F190 CarbonylContact O-C 3.59Å; A126-F190 WeakPolarHBondContact O-CA 3.47Å; A126-Y191 WeakPolarHBondContact O-CB 3.44Å; A126-Y191 PolarHBondContact O-N 3.09Å; A126-F287 HydrophobicContact CB-CE1 3.46Å; A126-F287 VanDerWaalsContact CB-CE1 3.46Å; A126-F287 HydrophobicContact CB-CZ 3.79Å |
| 127 | R | 98.9 | Very high | 98.8 | Very high | 12 Ų | 12 | 18.8 Ų | 18.8 | 5% | 0.045 | 9% | 0.092 | C | C | . | . | trans | -137.6 | 146.3 | 173.6 | -176.2 | 177.6 | -171.5 | -170.4 | 4.2 | 108.4 | K43 A44 A129 W169 Y191 E192 K256 | K43-R127 WeakPolarHBondContact O-CD 3.36Å; K43-R127 PolarHBondContact O-NH1 3.18Å; A44-R127 HydrophobicContact CB-CB 3.77Å; R127-A129 PolarHBondContact O-N 3.15Å; R127-W169 VanDerWaalsContact O-CZ2 3.31Å; R127-W169 WeakPolarHBondContact O-CZ2 3.36Å; R127-W169 PolarHBondContact O-NE1 3.34Å; R127-W169 VanDerWaalsContact O-NE1 3.14Å; R127-Y191 HydrophobicContact CB-CG 4.26Å; R127-Y191 HydrophobicContact CG-CD1 3.86Å; R127-Y191 HydrophobicContact CG-CG 3.86Å; R127-E192 WeakPolarHBondContact CG-OE1 3.29Å; R127-K256 PolarHBondContact NH2-O 3.38Å | ||
| 128 | N | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.005 | 7% | 0.069 | C | C | . | . | trans | -51.3 | 138.2 | 176.6 | 79.9 | 83.5 | 0 | 0 | 0 | 111.2 | K130 D131 N132 E192 F287 R288 T289 | N128-K130 VanDerWaalsContact C-N 3.26Å; N128-K130 PolarHBondContact O-N 2.94Å; N128-K130 PolarHBondContact OD1-N 3.33Å; N128-D131 PolarHBondContact ND2-OD2 3.45Å; N128-D131 PolarHBondContact OD1-N 3.11Å; N128-N132 VanDerWaalsContact O-CB 3.24Å; N128-N132 WeakPolarHBondContact O-CB 3.48Å; N128-N132 PolarHBondContact O-N 2.76Å; N128-E192 WeakPolarHBondContact CB-OE1 3.43Å; N128-E192 PolarHBondContact N-OE1 2.86Å; N128-E192 PolarHBondContact ND2-OE1 3.46Å; N128-F287 HydrophobicContact CB-CB 4.05Å; N128-F287 HydrophobicContact CB-CD1 4.42Å; N128-R288 VanDerWaalsContact CB-O 3.25Å; N128-R288 WeakPolarHBondContact CB-O 3.31Å; N128-R288 PolarHBondContact ND2-O 3.05Å; N128-T289 HydrophobicContact CB-CG2 4.23Å | ||
| 129 | A | 98.8 | Very high | 98.8 | Very high | 1 Ų | 1 | 12.2 Ų | 12.2 | 1% | 0.008 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -61.9 | -32.2 | -172 | 0 | 0 | 0 | 0 | 0 | 113.5 | R127 N132 M133 F159 W169 F272 | R127-A129 PolarHBondContact O-N 3.15Å; A129-N132 PolarHBondContact O-N 2.82Å; A129-M133 VanDerWaalsContact O-CB 3.25Å; A129-M133 WeakPolarHBondContact O-CB 3.48Å; A129-M133 PolarHBondContact O-N 2.84Å; A129-F159 HydrophobicContact CB-CE1 4.05Å; A129-F159 HydrophobicContact CB-CZ 4.14Å; A129-W169 HydrophobicContact CB-CD2 3.56Å; A129-W169 HydrophobicContact CB-CE3 3.6Å; A129-W169 HydrophobicContact CB-CG 4.23Å; A129-W169 HydrophobicContact CB-CH2 3.79Å; A129-W169 HydrophobicContact CB-CZ2 3.7Å; A129-W169 HydrophobicContact CB-CZ3 3.72Å; A129-F272 HydrophobicContact CB-CE2 3.98Å; A129-F272 HydrophobicContact CB-CZ 3.49Å; A129-F272 VanDerWaalsContact CB-CZ 3.49Å |
| 130 | K | 98.9 | Very high | 98.8 | Very high | 10 Ų | 10 | 9 Ų | 9 | 4% | 0.043 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -66 | -51.7 | -177.1 | -59.4 | -175 | -179.6 | 175.8 | 0 | 111.3 | N128 N132 M133 V134 W260 F264 N269 F272 D273 T289 | N128-K130 VanDerWaalsContact C-N 3.26Å; N128-K130 PolarHBondContact O-N 2.94Å; N128-K130 PolarHBondContact OD1-N 3.33Å; K130-N132 VanDerWaalsContact C-N 3.32Å; K130-M133 PolarHBondContact O-N 2.93Å; K130-V134 PolarHBondContact O-N 3.07Å; K130-W260 HydrophobicContact CB-CB 3.61Å; K130-W260 HydrophobicContact CB-CD2 3.75Å; K130-W260 HydrophobicContact CB-CE3 4.27Å; K130-W260 HydrophobicContact CB-CG 3.43Å; K130-W260 VanDerWaalsContact CB-CG 3.43Å; K130-W260 HydrophobicContact CD-CD2 3.58Å; K130-W260 HydrophobicContact CD-CE3 3.63Å; K130-W260 HydrophobicContact CD-CG 4.22Å; K130-W260 HydrophobicContact CD-CH2 3.9Å; K130-W260 HydrophobicContact CD-CZ2 3.86Å; K130-W260 HydrophobicContact CD-CZ3 3.81Å; K130-W260 HydrophobicContact CG-CD2 4.29Å; K130-W260 HydrophobicContact CG-CG 4.45Å; K130-F264 HydrophobicContact CB-CE1 4.35Å; K130-F264 HydrophobicContact CB-CE2 4.3Å; K130-F264 HydrophobicContact CB-CZ 3.95Å; K130-F264 HydrophobicContact CD-CE1 4.41Å; K130-F264 HydrophobicContact CG-CE1 4.06Å; K130-F264 HydrophobicContact CG-CZ 4.11Å; K130-N269 WeakPolarHBondContact CE-OD1 3.42Å; K130-N269 PolarHBondContact NZ-OD1 3.13Å; K130-F272 HydrophobicContact CD-CD1 4.15Å; K130-F272 HydrophobicContact CD-CE1 4.18Å; K130-F272 VanDerWaalsContact CE-CE1 3.46Å; K130-F272 HydrophobicContact CG-CD1 3.89Å; K130-F272 HydrophobicContact CG-CE1 3.6Å; K130-F272 HydrophobicContact CG-CE2 4.44Å; K130-F272 HydrophobicContact CG-CG 4.44Å; K130-F272 HydrophobicContact CG-CZ 3.92Å; K130-D273 WeakPolarHBondContact CE-OD1 3.49Å; K130-D273 IonicContact NZ-OD1 2.6Å; K130-D273 PolarHBondContact NZ-OD1 2.98Å; K130-D273 IonicContact NZ-OD2 3.67Å; K130-D273 PolarHBondContact NZ-OD2 2.58Å; K130-T289 HydrophobicContact CD-CG2 4.21Å |
| 131 | D | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -68 | -34.4 | 174.8 | -77.8 | -44.4 | 0 | 0 | 0 | 112.4 | N128 S135 V257 G258 D259 W260 | N128-D131 PolarHBondContact ND2-OD2 3.45Å; N128-D131 PolarHBondContact OD1-N 3.11Å; D131-S135 VanDerWaalsContact O-CB 3.27Å; D131-S135 WeakPolarHBondContact O-CB 3.49Å; D131-S135 PolarHBondContact O-N 3.15Å; D131-V257 WeakPolarHBondContact OD2-CA 3.41Å; D131-G258 PolarHBondContact OD1-N 2.76Å; D131-G258 PolarHBondContact OD2-N 3.13Å; D131-D259 PolarHBondContact OD1-N 3.39Å; D131-W260 PolarHBondContact OD1-N 2.9Å |
| 132 | N | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -60.6 | -49.9 | 176.9 | -167.2 | -72.9 | 0 | 0 | 0 | 110.7 | Y41 P42 N128 A129 K130 V134 S135 F136 | Y41-N132 VanDerWaalsContact CD1-OD1 3.26Å; Y41-N132 WeakPolarHBondContact CD1-OD1 3.42Å; Y41-N132 VanDerWaalsContact CE1-OD1 3.3Å; Y41-N132 WeakPolarHBondContact CE1-OD1 3.28Å; P42-N132 PolarHBondContact O-ND2 2.97Å; P42-N132 PolarHBondContact O-OD1 3.41Å; P42-N132 VanDerWaalsContact O-OD1 3.12Å; N128-N132 VanDerWaalsContact O-CB 3.24Å; N128-N132 WeakPolarHBondContact O-CB 3.48Å; N128-N132 PolarHBondContact O-N 2.76Å; A129-N132 PolarHBondContact O-N 2.82Å; K130-N132 VanDerWaalsContact C-N 3.32Å; N132-V134 PolarHBondContact O-N 3.46Å; N132-S135 CarbonylContact O-C 3.51Å; N132-S135 PolarHBondContact O-N 3.02Å; N132-S135 VanDerWaalsContact O-N 3.15Å; N132-F136 WeakPolarHBondContact O-CB 3.48Å; N132-F136 PolarHBondContact O-N 3.16Å |
| 133 | M | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -57.1 | -49.2 | 177 | -175.6 | -162.6 | -64.4 | 0 | 0 | 112.1 | A129 K130 S135 F136 Y137 W152 Y155 F156 F159 L160 F264 F272 | A129-M133 VanDerWaalsContact O-CB 3.25Å; A129-M133 WeakPolarHBondContact O-CB 3.48Å; A129-M133 PolarHBondContact O-N 2.84Å; K130-M133 PolarHBondContact O-N 2.93Å; M133-S135 VanDerWaalsContact C-N 3.32Å; M133-S135 PolarHBondContact O-N 3.42Å; M133-F136 PolarHBondContact O-N 2.62Å; M133-Y137 PolarHBondContact O-N 3.3Å; M133-W152 HydrophobicContact CG-CH2 4.01Å; M133-W152 HydrophobicContact CG-CZ3 4.34Å; M133-W152 HydrophobicContact SD-CH2 3.7Å; M133-W152 HydrophobicContact SD-CZ2 4.19Å; M133-W152 HydrophobicContact SD-CZ3 4.44Å; M133-Y155 HydrophobicContact CG-CD1 4.33Å; M133-Y155 HydrophobicContact CG-CE1 4.33Å; M133-F156 HydrophobicContact CE-CD2 3.88Å; M133-F156 HydrophobicContact CE-CE2 4.15Å; M133-F156 HydrophobicContact SD-CB 4.23Å; M133-F156 HydrophobicContact SD-CD2 3.55Å; M133-F156 VanDerWaalsContact SD-CD2 3.55Å; M133-F156 HydrophobicContact SD-CE2 4.31Å; M133-F156 HydrophobicContact SD-CG 4.23Å; M133-F159 HydrophobicContact CB-CD1 4.36Å; M133-F159 HydrophobicContact CB-CD2 3.78Å; M133-F159 HydrophobicContact CB-CE1 4.35Å; M133-F159 HydrophobicContact CB-CE2 3.76Å; M133-F159 HydrophobicContact CB-CG 4.08Å; M133-F159 HydrophobicContact CB-CZ 4.05Å; M133-F159 HydrophobicContact CE-CB 3.83Å; M133-F159 HydrophobicContact CE-CD1 3.24Å; M133-F159 HydrophobicContact CE-CD2 4.42Å; M133-F159 HydrophobicContact CE-CE1 3.86Å; M133-F159 HydrophobicContact CE-CG 3.58Å; M133-F159 HydrophobicContact CG-CB 3.96Å; M133-F159 HydrophobicContact CG-CD1 4.26Å; M133-F159 HydrophobicContact CG-CD2 3.69Å; M133-F159 HydrophobicContact CG-CE2 4.21Å; M133-F159 HydrophobicContact CG-CG 3.7Å; M133-F159 HydrophobicContact SD-CB 4.29Å; M133-F159 HydrophobicContact SD-CG 4.32Å; M133-L160 HydrophobicContact CE-CD2 4.5Å; M133-F264 HydrophobicContact CE-CZ 3.98Å; M133-F264 HydrophobicContact SD-CE2 4.11Å; M133-F264 HydrophobicContact SD-CZ 3.64Å; M133-F272 HydrophobicContact CE-CD2 3.88Å; M133-F272 HydrophobicContact CE-CE2 3.94Å |
| 134 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -60.2 | -44.4 | 176 | 172 | 0 | 0 | 0 | 0 | 111.1 | K130 N132 F136 Y137 H138 W152 W260 H263 F264 | K130-V134 PolarHBondContact O-N 3.07Å; N132-V134 PolarHBondContact O-N 3.46Å; V134-F136 VanDerWaalsContact C-N 3.27Å; V134-F136 PolarHBondContact O-N 3.05Å; V134-Y137 PolarHBondContact O-N 2.94Å; V134-H138 PolarHBondContact O-CD2 3.36Å; V134-H138 PolarHBondContact O-N 3.05Å; V134-W152 HydrophobicContact CB-CH2 4.49Å; V134-W152 HydrophobicContact CG2-CH2 3.58Å; V134-W152 HydrophobicContact CG2-CZ2 4.29Å; V134-W152 HydrophobicContact CG2-CZ3 4.17Å; V134-W260 HydrophobicContact CG2-CB 4.14Å; V134-H263 HydrophobicContact CG2-CB 3.75Å; V134-F264 HydrophobicContact CG2-CD2 4.19Å; V134-F264 HydrophobicContact CG2-CE2 3.83Å |
| 135 | S | 98.8 | Very high | 98 | Very high | 18 Ų | 18 | 16.3 Ų | 16.3 | 13% | 0.126 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -66.6 | -30.8 | 179.6 | -169.1 | 0 | 0 | 0 | 0 | 112.8 | D131 N132 M133 F139 | D131-S135 VanDerWaalsContact O-CB 3.27Å; D131-S135 WeakPolarHBondContact O-CB 3.49Å; D131-S135 PolarHBondContact O-N 3.15Å; N132-S135 CarbonylContact O-C 3.51Å; N132-S135 PolarHBondContact O-N 3.02Å; N132-S135 VanDerWaalsContact O-N 3.15Å; M133-S135 VanDerWaalsContact C-N 3.32Å; M133-S135 PolarHBondContact O-N 3.42Å; S135-F139 WeakPolarHBondContact O-CB 3.08Å; S135-F139 PolarHBondContact O-N 3.38Å |
| 136 | F | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -74.7 | -43.3 | 177.8 | -150.3 | 162.1 | 0 | 0 | 0 | 110.5 | Y41 P42 K43 N132 M133 V134 H138 F139 D140 Y155 M164 L165 | Y41-F136 AromaticContact CE1-CD1 3.82Å; Y41-F136 HydrophobicContact CE1-CD1 3.82Å; Y41-F136 AromaticContact CE1-CE1 3.83Å; Y41-F136 HydrophobicContact CE1-CE1 3.83Å; Y41-F136 AromaticContact CZ-CE1 3.9Å; P42-F136 HydrophobicContact CB-CD1 4.11Å; P42-F136 HydrophobicContact CB-CE1 3.57Å; P42-F136 HydrophobicContact CB-CE2 4.19Å; P42-F136 HydrophobicContact CB-CZ 3.61Å; P42-F136 HydrophobicContact CG-CE1 3.77Å; P42-F136 HydrophobicContact CG-CZ 3.76Å; K43-F136 HydrophobicContact CG-CB 3.89Å; K43-F136 HydrophobicContact CG-CD2 4.2Å; K43-F136 HydrophobicContact CG-CG 3.96Å; N132-F136 WeakPolarHBondContact O-CB 3.48Å; N132-F136 PolarHBondContact O-N 3.16Å; M133-F136 PolarHBondContact O-N 2.62Å; V134-F136 VanDerWaalsContact C-N 3.27Å; V134-F136 PolarHBondContact O-N 3.05Å; F136-H138 PolarHBondContact O-N 3.47Å; F136-F139 HydrophobicContact CD2-CD1 4.24Å; F136-F139 HydrophobicContact CE2-CD1 4.27Å; F136-F139 CarbonylContact O-C 3.53Å; F136-F139 WeakPolarHBondContact O-CA 3.45Å; F136-F139 WeakPolarHBondContact O-CB 3.37Å; F136-F139 PolarHBondContact O-N 3.22Å; F136-D140 VanDerWaalsContact CD2-OD1 3.29Å; F136-D140 WeakPolarHBondContact CD2-OD1 3.2Å; F136-D140 WeakPolarHBondContact CE2-OD1 3.39Å; F136-D140 PolarHBondContact O-N 3.2Å; F136-Y155 HydrophobicContact CB-CE1 4.43Å; F136-Y155 VanDerWaalsContact CB-OH 3.25Å; F136-Y155 WeakPolarHBondContact CB-OH 3.37Å; F136-Y155 WeakPolarHBondContact CD2-OH 3.31Å; F136-Y155 VanDerWaalsContact CG-OH 3.24Å; F136-Y155 WeakPolarHBondContact CG-OH 3.33Å; F136-Y155 PolarHBondContact O-OH 3.46Å; F136-M164 HydrophobicContact CD1-CE 4.29Å; F136-M164 HydrophobicContact CE1-CE 4.39Å; F136-L165 HydrophobicContact CZ-CB 4.26Å |
| 137 | Y | 98.7 | Very high | 97.6 | Very high | 30 Ų | 30 | 17.1 Ų | 17.1 | 12% | 0.118 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -53.1 | -51 | 174.7 | 176.5 | -112.1 | 0 | 0 | 0 | 112.5 | M133 V134 F139 D140 R141 P149 G150 W152 Y155 | M133-Y137 PolarHBondContact O-N 3.3Å; V134-Y137 PolarHBondContact O-N 2.94Å; Y137-F139 VanDerWaalsContact C-N 3.28Å; Y137-F139 PolarHBondContact O-N 2.87Å; Y137-D140 PolarHBondContact O-N 3.19Å; Y137-R141 WeakPolarHBondContact O-CG 3.07Å; Y137-R141 PolarHBondContact O-N 3.43Å; Y137-R141 VanDerWaalsContact O-N 3.17Å; Y137-P149 HydrophobicContact CD2-CB 3.97Å; Y137-P149 HydrophobicContact CE2-CB 3.98Å; Y137-G150 WeakPolarHBondContact CE2-O 3.23Å; Y137-W152 AromaticContact CD1-CE3 3.78Å; Y137-W152 HydrophobicContact CD1-CE3 3.78Å; Y137-W152 HydrophobicContact CD1-CZ3 4.24Å; Y137-W152 HydrophobicContact CD2-CE3 4.12Å; Y137-W152 HydrophobicContact CE1-CE3 4.22Å; Y137-W152 AromaticContact CG-CE3 3.71Å; Y137-W152 HydrophobicContact CG-CE3 3.71Å; Y137-W152 HydrophobicContact CG-CZ3 4Å; Y137-Y155 VanDerWaalsContact CA-CZ 3.48Å; Y137-Y155 AromaticContact CD2-CD1 3.93Å; Y137-Y155 HydrophobicContact CD2-CD1 3.93Å; Y137-Y155 AromaticContact CD2-CD2 3.76Å; Y137-Y155 HydrophobicContact CD2-CD2 3.76Å; Y137-Y155 HydrophobicContact CD2-CE1 4.43Å; Y137-Y155 HydrophobicContact CD2-CE2 4.25Å; Y137-Y155 AromaticContact CD2-CG 3.56Å; Y137-Y155 HydrophobicContact CD2-CG 3.56Å; Y137-Y155 HydrophobicContact CE2-CG 4.37Å; Y137-Y155 HydrophobicContact CG-CD1 4.3Å; Y137-Y155 HydrophobicContact CG-CG 4.37Å; Y137-Y155 PolarHBondContact N-OH 3.27Å |
| 138 | H | 98.7 | Very high | 97.5 | Very high | 25 Ų | 25 | 21.7 Ų | 21.7 | 12% | 0.116 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -67.4 | -29.3 | 177.7 | -72.4 | -69.3 | 0 | 0 | 0 | 113.1 | V134 F136 R141 M142 H263 | V134-H138 PolarHBondContact O-CD2 3.36Å; V134-H138 PolarHBondContact O-N 3.05Å; F136-H138 PolarHBondContact O-N 3.47Å; H138-R141 PolarHBondContact ND1-NH1 2.98Å; H138-M142 WeakPolarHBondContact O-CG 3.38Å; H138-M142 PolarHBondContact O-N 3.38Å; H138-H263 AromaticContact NE2-CD2 3.71Å; H138-H263 AromaticContact NE2-NE2 3.09Å; H138-H263 PolarHBondContact NE2-NE2 2.96Å |
| 139 | F | 98.5 | Very high | 97.3 | Very high | 30 Ų | 30 | 21.7 Ų | 21.7 | 13% | 0.132 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -70.3 | -42.7 | 175.7 | -177.9 | -118.8 | 0 | 0 | 0 | 112 | K43 S135 F136 Y137 R141 M142 N143 Q146 L244 F251 | K43-F139 HydrophobicContact CD-CB 3.8Å; K43-F139 HydrophobicContact CD-CD1 3.67Å; K43-F139 HydrophobicContact CD-CD2 4.37Å; K43-F139 HydrophobicContact CD-CE1 4.23Å; K43-F139 HydrophobicContact CD-CG 3.7Å; K43-F139 HydrophobicContact CG-CB 4.48Å; K43-F139 VanDerWaalsContact NZ-CG 3.32Å; S135-F139 WeakPolarHBondContact O-CB 3.08Å; S135-F139 PolarHBondContact O-N 3.38Å; F136-F139 HydrophobicContact CD2-CD1 4.24Å; F136-F139 HydrophobicContact CE2-CD1 4.27Å; F136-F139 CarbonylContact O-C 3.53Å; F136-F139 WeakPolarHBondContact O-CA 3.45Å; F136-F139 WeakPolarHBondContact O-CB 3.37Å; F136-F139 PolarHBondContact O-N 3.22Å; Y137-F139 VanDerWaalsContact C-N 3.28Å; Y137-F139 PolarHBondContact O-N 2.87Å; F139-R141 VanDerWaalsContact C-N 3.29Å; F139-R141 PolarHBondContact O-N 3.42Å; F139-M142 HydrophobicContact CD2-SD 3.87Å; F139-M142 HydrophobicContact CE2-SD 4.2Å; F139-M142 WeakPolarHBondContact O-CG 3.17Å; F139-M142 PolarHBondContact O-N 3.2Å; F139-N143 HydrophobicContact CD2-CB 4.3Å; F139-N143 HydrophobicContact CE1-CB 4.44Å; F139-N143 WeakPolarHBondContact CE1-ND2 3.37Å; F139-N143 HydrophobicContact CE2-CB 4.13Å; F139-N143 HydrophobicContact CZ-CB 4.24Å; F139-N143 WeakPolarHBondContact CZ-ND2 3.37Å; F139-N143 WeakPolarHBondContact O-CB 3.43Å; F139-N143 PolarHBondContact O-N 3.08Å; F139-Q146 HydrophobicContact CD1-CG 4.43Å; F139-Q146 HydrophobicContact CE1-CG 4.33Å; F139-L244 HydrophobicContact CE2-CD2 4.18Å; F139-F251 HydrophobicContact CD2-CD2 4.17Å; F139-F251 HydrophobicContact CD2-CE2 4.31Å; F139-F251 AromaticContact CE2-CD2 3.78Å; F139-F251 HydrophobicContact CE2-CD2 3.78Å; F139-F251 AromaticContact CE2-CE2 3.7Å; F139-F251 HydrophobicContact CE2-CE2 3.7Å; F139-F251 HydrophobicContact CZ-CE2 4.4Å |
| 140 | D | 98.1 | Very high | 97.2 | Very high | 3 Ų | 3 | 23.3 Ų | 23.3 | 2% | 0.016 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.2 | -37.2 | 178.4 | -69.1 | -10.2 | 0 | 0 | 0 | 111 | R4 F136 Y137 M142 N143 Q146 P149 Y155 | R4-D140 PolarHBondContact NH1-O 3.01Å; R4-D140 PolarHBondContact NH2-O 3.03Å; F136-D140 VanDerWaalsContact CD2-OD1 3.29Å; F136-D140 WeakPolarHBondContact CD2-OD1 3.2Å; F136-D140 WeakPolarHBondContact CE2-OD1 3.39Å; F136-D140 PolarHBondContact O-N 3.2Å; Y137-D140 PolarHBondContact O-N 3.19Å; D140-M142 PolarHBondContact O-N 2.98Å; D140-N143 PolarHBondContact O-N 2.72Å; D140-Q146 HydrophobicContact CB-CB 4.13Å; D140-Q146 WeakPolarHBondContact OD1-CB 3.42Å; D140-Q146 VanDerWaalsContact OD1-CG 3.26Å; D140-Q146 WeakPolarHBondContact OD1-CG 3.4Å; D140-P149 HydrophobicContact CB-CB 3.96Å; D140-P149 HydrophobicContact CB-CG 4.24Å; D140-Y155 HydrophobicContact CB-CE2 4.36Å; D140-Y155 WeakPolarHBondContact OD2-CE2 3.39Å; D140-Y155 PolarHBondContact OD2-OH 2.95Å |
| 141 | R | 97.8 | Very high | 97.2 | Very high | 87 Ų | 87 | 29.8 Ų | 29.8 | 33% | 0.328 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -57.7 | -45.4 | 174.4 | -71 | 176.9 | 67.1 | -140.8 | -1.3 | 112.5 | R4 Y137 H138 F139 P149 I248 | R4-R141 PolarHBondContact NH2-O 3.34Å; Y137-R141 WeakPolarHBondContact O-CG 3.07Å; Y137-R141 PolarHBondContact O-N 3.43Å; Y137-R141 VanDerWaalsContact O-N 3.17Å; H138-R141 PolarHBondContact ND1-NH1 2.98Å; F139-R141 VanDerWaalsContact C-N 3.29Å; F139-R141 PolarHBondContact O-N 3.42Å; R141-P149 HydrophobicContact CB-CG 4.29Å; R141-P149 HydrophobicContact CG-CB 4.15Å; R141-P149 HydrophobicContact CG-CG 3.49Å; R141-P149 VanDerWaalsContact CG-CG 3.49Å; R141-I248 HydrophobicContact CB-CG2 3.75Å; R141-I248 WeakPolarHBondContact O-CD1 3.25Å |
| 142 | M | 97.2 | Very high | 97.1 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -87.4 | -22.3 | -177.6 | 67 | 88.1 | 70.4 | 0 | 0 | 114.2 | H138 F139 D140 L244 D245 F246 I248 S249 F251 | H138-M142 WeakPolarHBondContact O-CG 3.38Å; H138-M142 PolarHBondContact O-N 3.38Å; F139-M142 HydrophobicContact CD2-SD 3.87Å; F139-M142 HydrophobicContact CE2-SD 4.2Å; F139-M142 WeakPolarHBondContact O-CG 3.17Å; F139-M142 PolarHBondContact O-N 3.2Å; D140-M142 PolarHBondContact O-N 2.98Å; M142-L244 HydrophobicContact CE-CB 3.67Å; M142-L244 HydrophobicContact CE-CD1 4.2Å; M142-L244 HydrophobicContact CE-CD2 4.36Å; M142-L244 HydrophobicContact CE-CG 4.28Å; M142-L244 HydrophobicContact SD-CB 4.03Å; M142-L244 HydrophobicContact SD-CD1 4.4Å; M142-L244 HydrophobicContact SD-CD2 3.66Å; M142-L244 HydrophobicContact SD-CG 4.23Å; M142-D245 WeakPolarHBondContact CB-O 3.4Å; M142-D245 PolarHBondContact O-N 3.45Å; M142-F246 HydrophobicContact CE-CD1 4.34Å; M142-F246 HydrophobicContact CE-CE1 4.23Å; M142-F246 HydrophobicContact CE-CE2 4.45Å; M142-F246 HydrophobicContact CE-CG 4.47Å; M142-F246 HydrophobicContact CE-CZ 4.26Å; M142-I248 HydrophobicContact CB-CB 4.14Å; M142-I248 HydrophobicContact CB-CG2 4.31Å; M142-S249 WeakPolarHBondContact CE-O 3.37Å; M142-F251 HydrophobicContact CE-CB 4.23Å |
| 143 | N | 96.1 | Very high | 97.1 | Very high | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.027 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -95.1 | 108.5 | -175.1 | -175.4 | -10.2 | 0 | 0 | 0 | 111.5 | R4 F139 D140 V145 Q146 F243 L244 | R4-N143 PolarHBondContact NH1-O 3.46Å; F139-N143 HydrophobicContact CD2-CB 4.3Å; F139-N143 HydrophobicContact CE1-CB 4.44Å; F139-N143 WeakPolarHBondContact CE1-ND2 3.37Å; F139-N143 HydrophobicContact CE2-CB 4.13Å; F139-N143 HydrophobicContact CZ-CB 4.24Å; F139-N143 WeakPolarHBondContact CZ-ND2 3.37Å; F139-N143 WeakPolarHBondContact O-CB 3.43Å; F139-N143 PolarHBondContact O-N 3.08Å; D140-N143 PolarHBondContact O-N 2.72Å; N143-V145 PolarHBondContact O-N 3.35Å; N143-V145 WeakPolarHBondContact OD1-CG2 3.39Å; N143-V145 PolarHBondContact OD1-N 3.49Å; N143-Q146 HydrophobicContact CB-CB 4.36Å; N143-Q146 HydrophobicContact CB-CG 3.76Å; N143-Q146 WeakPolarHBondContact O-CB 3.2Å; N143-Q146 PolarHBondContact O-N 2.9Å; N143-Q146 VanDerWaalsContact O-N 3.07Å; N143-F243 WeakPolarHBondContact OD1-CD2 2.97Å; N143-L244 HydrophobicContact CB-CD2 3.7Å |
| 144 | M | 93.4 | Very high | 97 | Very high | 91 Ų | 91 | 38.5 Ų | 38.5 | 45% | 0.448 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -11.8 | -175.5 | -59.4 | -54.2 | -60.9 | 0 | 0 | 114.3 | F243 | M144-F243 WeakPolarHBondContact CB-O 3.29Å; M144-F243 PolarHBondContact N-O 2.68Å |
| 145 | V | 93 | Very high | 97 | Very high | 28 Ų | 28 | 38.5 Ų | 38.5 | 17% | 0.17 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 7.9 | 173.4 | -55.8 | 0 | 0 | 0 | 0 | 113.1 | P5 C18 V82 N143 F243 | P5-V145 WeakPolarHBondContact CG-O 3.4Å; C18-V145 PolarHBondContact SG-O 2.91Å; V82-V145 HydrophobicContact CG1-CB 4.34Å; V82-V145 HydrophobicContact CG1-CG1 4.06Å; V82-V145 HydrophobicContact CG1-CG2 4.43Å; N143-V145 PolarHBondContact O-N 3.35Å; N143-V145 WeakPolarHBondContact OD1-CG2 3.39Å; N143-V145 PolarHBondContact OD1-N 3.49Å; V145-F243 HydrophobicContact CG1-CB 3.97Å; V145-F243 HydrophobicContact CG1-CD2 4.32Å; V145-F243 HydrophobicContact CG1-CG 4.15Å; V145-F243 HydrophobicContact CG2-CD2 3.88Å; V145-F243 HydrophobicContact CG2-CE2 4.13Å |
| 146 | Q | 94.6 | Very high | 97 | Very high | 13 Ų | 13 | 38.1 Ų | 38.1 | 6% | 0.061 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -99.4 | 153.7 | 171.7 | -67.6 | -68.9 | -2.5 | 0 | 0 | 111.5 | R4 P5 F139 D140 N143 L165 | R4-Q146 WeakPolarHBondContact CD-O 3.43Å; R4-Q146 PolarHBondContact NH1-O 3.16Å; P5-Q146 WeakPolarHBondContact CD-O 3.27Å; F139-Q146 HydrophobicContact CD1-CG 4.43Å; F139-Q146 HydrophobicContact CE1-CG 4.33Å; D140-Q146 HydrophobicContact CB-CB 4.13Å; D140-Q146 WeakPolarHBondContact OD1-CB 3.42Å; D140-Q146 VanDerWaalsContact OD1-CG 3.26Å; D140-Q146 WeakPolarHBondContact OD1-CG 3.4Å; N143-Q146 HydrophobicContact CB-CB 4.36Å; N143-Q146 HydrophobicContact CB-CG 3.76Å; N143-Q146 WeakPolarHBondContact O-CB 3.2Å; N143-Q146 PolarHBondContact O-N 2.9Å; N143-Q146 VanDerWaalsContact O-N 3.07Å; Q146-L165 VanDerWaalsContact OE1-CD2 3.27Å |
| 147 | P | 95.3 | Very high | 97 | Very high | 5 Ų | 5 | 42.5 Ų | 42.5 | 3% | 0.032 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -53.7 | 158.2 | 168.7 | -21.9 | 32.9 | 0 | 0 | 0 | 112.2 | P5 L7 T16 P149 | P5-P147 VanDerWaalsContact O-CA 3.23Å; P5-P147 WeakPolarHBondContact O-CA 3.26Å; P5-P147 WeakPolarHBondContact O-CB 3.31Å; L7-P147 HydrophobicContact CD2-CG 3.88Å; L7-P147 HydrophobicContact CG-CG 3.8Å; T16-P147 HydrophobicContact CG2-CG 3.79Å; P147-P149 VanDerWaalsContact O-CD 3.31Å; P147-P149 WeakPolarHBondContact O-CD 3.16Å |
| 148 | E | 96 | Very high | 97 | Very high | 107 Ų | 107 | 43.5 Ų | 43.5 | 50% | 0.5 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -61.9 | 124.5 | 174.8 | -170.7 | 60.8 | -121.8 | 0 | 0 | 109.5 | R4 G150 R158 | R4-E148 WeakPolarHBondContact CD-OE2 3.46Å; R4-E148 IonicContact NE-OE2 3.01Å; R4-E148 PolarHBondContact NE-OE2 3.31Å; E148-G150 VanDerWaalsContact C-N 3.31Å; E148-R158 PolarHBondContact O-NH1 2.88Å |
| 149 | P | 96.3 | Very high | 97 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.013 | 22% | 0.22 | C | C | . | . | trans | -66.1 | -34.6 | 177.2 | 22.4 | -34.5 | 0 | 0 | 0 | 112.5 | Y137 D140 R141 P147 Y155 | Y137-P149 HydrophobicContact CD2-CB 3.97Å; Y137-P149 HydrophobicContact CE2-CB 3.98Å; D140-P149 HydrophobicContact CB-CB 3.96Å; D140-P149 HydrophobicContact CB-CG 4.24Å; R141-P149 HydrophobicContact CB-CG 4.29Å; R141-P149 HydrophobicContact CG-CB 4.15Å; R141-P149 HydrophobicContact CG-CG 3.49Å; R141-P149 VanDerWaalsContact CG-CG 3.49Å; P147-P149 VanDerWaalsContact O-CD 3.31Å; P147-P149 WeakPolarHBondContact O-CD 3.16Å; P149-Y155 HydrophobicContact CB-CD2 3.91Å; P149-Y155 HydrophobicContact CB-CE2 4.06Å; P149-Y155 WeakPolarHBondContact O-CD2 3.45Å | ||
| 150 | G | 96.2 | Very high | 97 | Very high | 35 Ų | 35 | 41.4 Ų | 41.4 | 36% | 0.361 | 22% | 0.216 | S | C | . | . | trans | 65.6 | -157.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y137 E148 | Y137-G150 WeakPolarHBondContact CE2-O 3.23Å; E148-G150 VanDerWaalsContact C-N 3.31Å | ||
| 151 | E | 97.6 | Very high | 97 | Very high | 146 Ų | 146 | 45.6 Ų | 45.6 | 68% | 0.682 | 24% | 0.238 | S | C | * | . | trans | -74.3 | 150.6 | 177.7 | -64.4 | -58.3 | 133.7 | 0 | 0 | 112.2 | S153 S154 Y155 | E151-S153 VanDerWaalsContact C-N 3.32Å; E151-S153 PolarHBondContact O-N 3.18Å; E151-S154 PolarHBondContact O-N 3.04Å; E151-S154 VanDerWaalsContact O-N 3.1Å; E151-Y155 PolarHBondContact O-N 3.02Å | ||
| 152 | W | 98.3 | Very high | 96.9 | Very high | 33 Ų | 33 | 42 Ų | 42 | 13% | 0.125 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -52 | -45 | -178.1 | 170.4 | -110.6 | 0 | 0 | 0 | 113.5 | M133 V134 Y137 S154 Y155 F156 H263 F264 | M133-W152 HydrophobicContact CG-CH2 4.01Å; M133-W152 HydrophobicContact CG-CZ3 4.34Å; M133-W152 HydrophobicContact SD-CH2 3.7Å; M133-W152 HydrophobicContact SD-CZ2 4.19Å; M133-W152 HydrophobicContact SD-CZ3 4.44Å; V134-W152 HydrophobicContact CB-CH2 4.49Å; V134-W152 HydrophobicContact CG2-CH2 3.58Å; V134-W152 HydrophobicContact CG2-CZ2 4.29Å; V134-W152 HydrophobicContact CG2-CZ3 4.17Å; Y137-W152 AromaticContact CD1-CE3 3.78Å; Y137-W152 HydrophobicContact CD1-CE3 3.78Å; Y137-W152 HydrophobicContact CD1-CZ3 4.24Å; Y137-W152 HydrophobicContact CD2-CE3 4.12Å; Y137-W152 HydrophobicContact CE1-CE3 4.22Å; Y137-W152 AromaticContact CG-CE3 3.71Å; Y137-W152 HydrophobicContact CG-CE3 3.71Å; Y137-W152 HydrophobicContact CG-CZ3 4Å; W152-S154 VanDerWaalsContact C-N 3.34Å; W152-S154 PolarHBondContact O-N 3.35Å; W152-Y155 HydrophobicContact CZ3-CD1 4.48Å; W152-Y155 WeakPolarHBondContact O-CB 3.43Å; W152-Y155 PolarHBondContact O-N 3.35Å; W152-F156 HydrophobicContact CZ2-CD2 4.44Å; W152-F156 WeakPolarHBondContact O-CB 3.43Å; W152-F156 PolarHBondContact O-N 3.13Å; W152-H263 HydrophobicContact CZ2-CB 4.22Å; W152-H263 PolarHBondContact NE1-O 3.46Å; W152-F264 HydrophobicContact CH2-CD2 4.2Å; W152-F264 AromaticContact CH2-CE2 3.71Å; W152-F264 HydrophobicContact CH2-CE2 3.71Å; W152-F264 HydrophobicContact CH2-CZ 4.49Å; W152-F264 AromaticContact CZ2-CD2 3.63Å; W152-F264 HydrophobicContact CZ2-CD2 3.63Å; W152-F264 AromaticContact CZ2-CE2 3.54Å; W152-F264 HydrophobicContact CZ2-CE2 3.54Å; W152-F264 HydrophobicContact CZ2-CG 4.46Å; W152-F264 HydrophobicContact CZ2-CZ 4.32Å |
| 153 | S | 98.1 | Very high | 96.9 | Very high | 78 Ų | 78 | 47 Ų | 47 | 55% | 0.545 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.8 | -38.2 | -178.8 | -59.1 | 0 | 0 | 0 | 0 | 112.9 | E151 Q157 | E151-S153 VanDerWaalsContact C-N 3.32Å; E151-S153 PolarHBondContact O-N 3.18Å; S153-Q157 PolarHBondContact O-N 3.3Å |
| 154 | S | 97.6 | Very high | 97 | Very high | 72 Ų | 72 | 46.9 Ų | 46.9 | 50% | 0.503 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -71 | -37.8 | 175.9 | -56 | 0 | 0 | 0 | 0 | 111.3 | E151 W152 Q157 R158 | E151-S154 PolarHBondContact O-N 3.04Å; E151-S154 VanDerWaalsContact O-N 3.1Å; W152-S154 VanDerWaalsContact C-N 3.34Å; W152-S154 PolarHBondContact O-N 3.35Å; S154-Q157 PolarHBondContact O-N 3.13Å; S154-R158 WeakPolarHBondContact O-CG 3.3Å; S154-R158 PolarHBondContact O-N 2.97Å |
| 155 | Y | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.5 | -44 | 174.8 | -165 | -88.9 | 0 | 0 | 0 | 112.1 | M133 F136 Y137 D140 P149 E151 W152 Q157 R158 F159 M164 | M133-Y155 HydrophobicContact CG-CD1 4.33Å; M133-Y155 HydrophobicContact CG-CE1 4.33Å; F136-Y155 HydrophobicContact CB-CE1 4.43Å; F136-Y155 VanDerWaalsContact CB-OH 3.25Å; F136-Y155 WeakPolarHBondContact CB-OH 3.37Å; F136-Y155 WeakPolarHBondContact CD2-OH 3.31Å; F136-Y155 VanDerWaalsContact CG-OH 3.24Å; F136-Y155 WeakPolarHBondContact CG-OH 3.33Å; F136-Y155 PolarHBondContact O-OH 3.46Å; Y137-Y155 VanDerWaalsContact CA-CZ 3.48Å; Y137-Y155 AromaticContact CD2-CD1 3.93Å; Y137-Y155 HydrophobicContact CD2-CD1 3.93Å; Y137-Y155 AromaticContact CD2-CD2 3.76Å; Y137-Y155 HydrophobicContact CD2-CD2 3.76Å; Y137-Y155 HydrophobicContact CD2-CE1 4.43Å; Y137-Y155 HydrophobicContact CD2-CE2 4.25Å; Y137-Y155 AromaticContact CD2-CG 3.56Å; Y137-Y155 HydrophobicContact CD2-CG 3.56Å; Y137-Y155 HydrophobicContact CE2-CG 4.37Å; Y137-Y155 HydrophobicContact CG-CD1 4.3Å; Y137-Y155 HydrophobicContact CG-CG 4.37Å; Y137-Y155 PolarHBondContact N-OH 3.27Å; D140-Y155 HydrophobicContact CB-CE2 4.36Å; D140-Y155 WeakPolarHBondContact OD2-CE2 3.39Å; D140-Y155 PolarHBondContact OD2-OH 2.95Å; P149-Y155 HydrophobicContact CB-CD2 3.91Å; P149-Y155 HydrophobicContact CB-CE2 4.06Å; P149-Y155 WeakPolarHBondContact O-CD2 3.45Å; E151-Y155 PolarHBondContact O-N 3.02Å; W152-Y155 HydrophobicContact CZ3-CD1 4.48Å; W152-Y155 WeakPolarHBondContact O-CB 3.43Å; W152-Y155 PolarHBondContact O-N 3.35Å; Y155-Q157 VanDerWaalsContact C-N 3.34Å; Y155-Q157 PolarHBondContact O-N 3.08Å; Y155-R158 PolarHBondContact O-N 2.95Å; Y155-F159 PolarHBondContact O-N 2.75Å; Y155-M164 HydrophobicContact CE1-CE 3.8Å; Y155-M164 HydrophobicContact CE2-CE 3.67Å; Y155-M164 WeakPolarHBondContact OH-CE 3.36Å |
| 156 | F | 98.8 | Very high | 97.5 | Very high | 9 Ų | 9 | 41.6 Ų | 41.6 | 4% | 0.039 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -55.1 | -49.8 | 174.8 | 173.3 | -85 | 0 | 0 | 0 | 110.9 | M133 W152 F159 L160 F264 Q268 F272 | M133-F156 HydrophobicContact CE-CD2 3.88Å; M133-F156 HydrophobicContact CE-CE2 4.15Å; M133-F156 HydrophobicContact SD-CB 4.23Å; M133-F156 HydrophobicContact SD-CD2 3.55Å; M133-F156 VanDerWaalsContact SD-CD2 3.55Å; M133-F156 HydrophobicContact SD-CE2 4.31Å; M133-F156 HydrophobicContact SD-CG 4.23Å; W152-F156 HydrophobicContact CZ2-CD2 4.44Å; W152-F156 WeakPolarHBondContact O-CB 3.43Å; W152-F156 PolarHBondContact O-N 3.13Å; F156-F159 WeakPolarHBondContact O-CB 3.14Å; F156-F159 PolarHBondContact O-N 3.22Å; F156-L160 HydrophobicContact CD1-CD1 4.18Å; F156-L160 HydrophobicContact CD1-CG 4.48Å; F156-L160 HydrophobicContact CE1-CD1 3.44Å; F156-L160 VanDerWaalsContact CE1-CD1 3.44Å; F156-L160 HydrophobicContact CE1-CG 4.08Å; F156-L160 HydrophobicContact CZ-CD1 3.83Å; F156-L160 HydrophobicContact CZ-CG 4.32Å; F156-L160 PolarHBondContact O-N 2.75Å; F156-L160 VanDerWaalsContact O-N 3.12Å; F156-F264 HydrophobicContact CD2-CE1 4.1Å; F156-F264 HydrophobicContact CD2-CZ 4.25Å; F156-F264 HydrophobicContact CE2-CD1 4.03Å; F156-F264 AromaticContact CE2-CE1 3.57Å; F156-F264 HydrophobicContact CE2-CE1 3.57Å; F156-F264 HydrophobicContact CE2-CZ 4.14Å; F156-Q268 HydrophobicContact CD1-CG 4.34Å; F156-Q268 HydrophobicContact CD2-CB 4.25Å; F156-Q268 HydrophobicContact CD2-CG 4.28Å; F156-Q268 HydrophobicContact CE1-CB 4.45Å; F156-Q268 HydrophobicContact CE1-CG 4.28Å; F156-Q268 HydrophobicContact CE2-CB 3.8Å; F156-Q268 HydrophobicContact CE2-CG 4.22Å; F156-Q268 HydrophobicContact CG-CG 4.36Å; F156-Q268 HydrophobicContact CZ-CB 3.92Å; F156-Q268 HydrophobicContact CZ-CG 4.23Å; F156-Q268 WeakPolarHBondContact CZ-O 3.23Å; F156-F272 HydrophobicContact CE2-CB 4.07Å; F156-F272 HydrophobicContact CE2-CD2 4.4Å; F156-F272 HydrophobicContact CZ-CB 3.93Å |
| 157 | Q | 98.4 | Very high | 97.7 | Very high | 92 Ų | 92 | 41.3 Ų | 41.3 | 43% | 0.43 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.7 | -46 | 179.2 | -172.5 | 58.3 | 51.3 | 0 | 0 | 111.9 | S153 S154 Y155 F159 L160 D161 | S153-Q157 PolarHBondContact O-N 3.3Å; S154-Q157 PolarHBondContact O-N 3.13Å; Y155-Q157 VanDerWaalsContact C-N 3.34Å; Y155-Q157 PolarHBondContact O-N 3.08Å; Q157-F159 PolarHBondContact O-N 3.14Å; Q157-L160 WeakPolarHBondContact O-CB 3.3Å; Q157-L160 PolarHBondContact O-N 3.08Å; Q157-L160 VanDerWaalsContact O-N 3.1Å; Q157-D161 PolarHBondContact NE2-OD1 3.27Å; Q157-D161 PolarHBondContact NE2-OD2 3.02Å; Q157-D161 VanDerWaalsContact O-CG 3.28Å; Q157-D161 PolarHBondContact O-N 3.24Å |
| 158 | R | 98.1 | Very high | 97.8 | Very high | 52 Ų | 52 | 42.1 Ų | 42.1 | 20% | 0.196 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.2 | -38.5 | 175.4 | -78.5 | 173.8 | 53.8 | -168.5 | -5.7 | 112.7 | E148 S154 Y155 D161 G162 Q163 M164 | E148-R158 PolarHBondContact O-NH1 2.88Å; S154-R158 WeakPolarHBondContact O-CG 3.3Å; S154-R158 PolarHBondContact O-N 2.97Å; Y155-R158 PolarHBondContact O-N 2.95Å; R158-D161 PolarHBondContact O-N 3.05Å; R158-G162 PolarHBondContact O-N 3.4Å; R158-G162 VanDerWaalsContact O-N 3.14Å; R158-Q163 HydrophobicContact CB-CB 4.3Å; R158-Q163 HydrophobicContact CG-CB 4.44Å; R158-Q163 PolarHBondContact NE-O 2.88Å; R158-Q163 PolarHBondContact NH2-O 3.5Å; R158-Q163 PolarHBondContact O-N 3.46Å; R158-M164 HydrophobicContact CB-SD 4.1Å |
| 159 | F | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.5 | -45.2 | 176.9 | -174.5 | -76.1 | 0 | 0 | 0 | 111.6 | Y41 A129 M133 Y155 F156 Q157 D161 G162 M164 W169 | Y41-F159 HydrophobicContact CE1-CE2 4.18Å; A129-F159 HydrophobicContact CB-CE1 4.05Å; A129-F159 HydrophobicContact CB-CZ 4.14Å; M133-F159 HydrophobicContact CB-CD1 4.36Å; M133-F159 HydrophobicContact CB-CD2 3.78Å; M133-F159 HydrophobicContact CB-CE1 4.35Å; M133-F159 HydrophobicContact CB-CE2 3.76Å; M133-F159 HydrophobicContact CB-CG 4.08Å; M133-F159 HydrophobicContact CB-CZ 4.05Å; M133-F159 HydrophobicContact CE-CB 3.83Å; M133-F159 HydrophobicContact CE-CD1 3.24Å; M133-F159 HydrophobicContact CE-CD2 4.42Å; M133-F159 HydrophobicContact CE-CE1 3.86Å; M133-F159 HydrophobicContact CE-CG 3.58Å; M133-F159 HydrophobicContact CG-CB 3.96Å; M133-F159 HydrophobicContact CG-CD1 4.26Å; M133-F159 HydrophobicContact CG-CD2 3.69Å; M133-F159 HydrophobicContact CG-CE2 4.21Å; M133-F159 HydrophobicContact CG-CG 3.7Å; M133-F159 HydrophobicContact SD-CB 4.29Å; M133-F159 HydrophobicContact SD-CG 4.32Å; Y155-F159 PolarHBondContact O-N 2.75Å; F156-F159 WeakPolarHBondContact O-CB 3.14Å; F156-F159 PolarHBondContact O-N 3.22Å; Q157-F159 PolarHBondContact O-N 3.14Å; F159-D161 VanDerWaalsContact C-N 3.28Å; F159-D161 PolarHBondContact O-N 2.97Å; F159-G162 PolarHBondContact O-N 3.21Å; F159-G162 VanDerWaalsContact O-N 3.12Å; F159-M164 HydrophobicContact CB-CG 4.22Å; F159-M164 HydrophobicContact CB-SD 4.09Å; F159-M164 HydrophobicContact CD2-CG 4.04Å; F159-M164 HydrophobicContact CD2-SD 4.48Å; F159-M164 HydrophobicContact CG-CG 4.39Å; F159-W169 HydrophobicContact CE1-CB 3.95Å; F159-W169 HydrophobicContact CE1-CG 4.37Å; F159-W169 HydrophobicContact CE2-CB 4.22Å; F159-W169 HydrophobicContact CZ-CB 3.5Å; F159-W169 VanDerWaalsContact CZ-CB 3.5Å; F159-W169 AromaticContact CZ-CG 3.78Å; F159-W169 HydrophobicContact CZ-CG 3.78Å |
| 160 | L | 98.4 | Very high | 98.1 | Very high | 11 Ų | 11 | 37.3 Ų | 37.3 | 6% | 0.058 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.4 | -42.4 | 175 | -65.1 | -171.4 | 0 | 0 | 0 | 111.3 | M133 F156 Q157 G162 Y170 F272 D275 K279 | M133-L160 HydrophobicContact CE-CD2 4.5Å; F156-L160 HydrophobicContact CD1-CD1 4.18Å; F156-L160 HydrophobicContact CD1-CG 4.48Å; F156-L160 HydrophobicContact CE1-CD1 3.44Å; F156-L160 VanDerWaalsContact CE1-CD1 3.44Å; F156-L160 HydrophobicContact CE1-CG 4.08Å; F156-L160 HydrophobicContact CZ-CD1 3.83Å; F156-L160 HydrophobicContact CZ-CG 4.32Å; F156-L160 PolarHBondContact O-N 2.75Å; F156-L160 VanDerWaalsContact O-N 3.12Å; Q157-L160 WeakPolarHBondContact O-CB 3.3Å; Q157-L160 PolarHBondContact O-N 3.08Å; Q157-L160 VanDerWaalsContact O-N 3.1Å; L160-G162 PolarHBondContact O-N 3.41Å; L160-Y170 VanDerWaalsContact CD2-OH 3.3Å; L160-Y170 WeakPolarHBondContact CD2-OH 3.25Å; L160-F272 HydrophobicContact CD2-CD2 3.66Å; L160-F272 HydrophobicContact CD2-CE2 4.13Å; L160-D275 HydrophobicContact CD2-CB 4.34Å; L160-K279 PolarHBondContact O-NZ 2.78Å |
| 161 | D | 97.7 | Very high | 98.2 | Very high | 90 Ų | 90 | 40.2 Ų | 40.2 | 48% | 0.481 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -4.1 | -179.8 | -61.4 | -22.9 | 0 | 0 | 0 | 113.2 | Q157 R158 F159 Q163 | Q157-D161 PolarHBondContact NE2-OD1 3.27Å; Q157-D161 PolarHBondContact NE2-OD2 3.02Å; Q157-D161 VanDerWaalsContact O-CG 3.28Å; Q157-D161 PolarHBondContact O-N 3.24Å; R158-D161 PolarHBondContact O-N 3.05Å; F159-D161 VanDerWaalsContact C-N 3.28Å; F159-D161 PolarHBondContact O-N 2.97Å; D161-Q163 HydrophobicContact CB-CG 4.06Å; D161-Q163 PolarHBondContact O-N 2.84Å |
| 162 | G | 97.1 | Very high | 98.2 | Very high | 11 Ų | 11 | 33.4 Ų | 33.4 | 11% | 0.113 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 16.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | R158 F159 L160 M164 G167 | R158-G162 PolarHBondContact O-N 3.4Å; R158-G162 VanDerWaalsContact O-N 3.14Å; F159-G162 PolarHBondContact O-N 3.21Å; F159-G162 VanDerWaalsContact O-N 3.12Å; L160-G162 PolarHBondContact O-N 3.41Å; G162-M164 PolarHBondContact O-N 2.71Å; G162-G167 CarbonylContact O-C 3.58Å; G162-G167 VanDerWaalsContact O-C 3.3Å; G162-G167 WeakPolarHBondContact O-CA 3.25Å |
| 163 | Q | 96.9 | Very high | 98.3 | Very high | 108 Ų | 108 | 31.8 Ų | 31.8 | 51% | 0.505 | 18% | 0.176 | S | C | . | . | trans | -84.9 | 52.3 | 178.5 | -62.8 | -175.2 | -11.2 | 0 | 0 | 111.7 | L7 R158 D161 | L7-Q163 VanDerWaalsContact CD1-O 3.26Å; L7-Q163 WeakPolarHBondContact CD1-O 3.31Å; R158-Q163 HydrophobicContact CB-CB 4.3Å; R158-Q163 HydrophobicContact CG-CB 4.44Å; R158-Q163 PolarHBondContact NE-O 2.88Å; R158-Q163 PolarHBondContact NH2-O 3.5Å; R158-Q163 PolarHBondContact O-N 3.46Å; D161-Q163 HydrophobicContact CB-CG 4.06Å; D161-Q163 PolarHBondContact O-N 2.84Å | ||
| 164 | M | 98 | Very high | 98.3 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -116.7 | 157.4 | -179.4 | -58.4 | -50.8 | -57.5 | 0 | 0 | 110 | A14 Y41 F136 Y155 R158 F159 G162 Y166 G167 | A14-M164 VanDerWaalsContact CB-O 3.28Å; A14-M164 WeakPolarHBondContact CB-O 3.32Å; Y41-M164 VanDerWaalsContact OH-CB 3.25Å; Y41-M164 WeakPolarHBondContact OH-CB 3.26Å; F136-M164 HydrophobicContact CD1-CE 4.29Å; F136-M164 HydrophobicContact CE1-CE 4.39Å; Y155-M164 HydrophobicContact CE1-CE 3.8Å; Y155-M164 HydrophobicContact CE2-CE 3.67Å; Y155-M164 WeakPolarHBondContact OH-CE 3.36Å; R158-M164 HydrophobicContact CB-SD 4.1Å; F159-M164 HydrophobicContact CB-CG 4.22Å; F159-M164 HydrophobicContact CB-SD 4.09Å; F159-M164 HydrophobicContact CD2-CG 4.04Å; F159-M164 HydrophobicContact CD2-SD 4.48Å; F159-M164 HydrophobicContact CG-CG 4.39Å; G162-M164 PolarHBondContact O-N 2.71Å; M164-Y166 PolarHBondContact O-N 2.82Å; M164-G167 WeakPolarHBondContact O-CA 3.45Å; M164-G167 PolarHBondContact O-N 2.73Å |
| 165 | L | 98.1 | Very high | 98.3 | Very high | 4 Ų | 4 | 27.6 Ų | 27.6 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 129.8 | 168.1 | -179 | 72.5 | 0 | 0 | 0 | 108.7 | L7 M15 T16 V19 F136 Q146 G167 | L7-L165 HydrophobicContact CD2-CB 4.1Å; L7-L165 HydrophobicContact CD2-CD1 4.22Å; M15-L165 HydrophobicContact SD-CD1 4.36Å; T16-L165 HydrophobicContact CG2-CD1 3.87Å; T16-L165 VanDerWaalsContact N-CD1 3.35Å; T16-L165 WeakPolarHBondContact OG1-CD1 3.5Å; V19-L165 HydrophobicContact CG2-CD1 3.96Å; F136-L165 HydrophobicContact CZ-CB 4.26Å; Q146-L165 VanDerWaalsContact OE1-CD2 3.27Å; L165-G167 VanDerWaalsContact C-N 3.31Å |
| 166 | Y | 98.5 | Very high | 98.3 | Very high | 5 Ų | 5 | 27.6 Ų | 27.6 | 2% | 0.02 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 9.7 | -169 | -54.7 | -80.7 | 0 | 0 | 0 | 115.4 | V13 A14 M15 V19 P42 F77 E79 H105 L106 M164 | V13-Y166 VanDerWaalsContact CG1-C 3.45Å; A14-Y166 PolarHBondContact O-N 2.88Å; M15-Y166 HydrophobicContact CE-CD1 3.74Å; M15-Y166 HydrophobicContact CE-CE1 4.17Å; M15-Y166 HydrophobicContact SD-CD1 3.77Å; M15-Y166 HydrophobicContact SD-CE1 4.05Å; M15-Y166 HydrophobicContact SD-CG 4.32Å; V19-Y166 WeakPolarHBondContact CG1-OH 3.46Å; P42-Y166 HydrophobicContact CG-CD2 3.42Å; P42-Y166 VanDerWaalsContact CG-CD2 3.42Å; P42-Y166 HydrophobicContact CG-CE2 4.02Å; P42-Y166 HydrophobicContact CG-CG 4.27Å; F77-Y166 WeakPolarHBondContact CZ-OH 3.24Å; E79-Y166 HydrophobicContact CG-CE1 4.3Å; E79-Y166 WeakPolarHBondContact CG-OH 3.41Å; E79-Y166 WeakPolarHBondContact OE1-CE1 3.18Å; E79-Y166 PolarHBondContact OE1-OH 2.93Å; H105-Y166 VanDerWaalsContact C-CD1 3.47Å; H105-Y166 HydrophobicContact CB-CD1 3.81Å; H105-Y166 HydrophobicContact CB-CD2 3.74Å; H105-Y166 HydrophobicContact CB-CE1 3.57Å; H105-Y166 HydrophobicContact CB-CE2 3.52Å; H105-Y166 HydrophobicContact CB-CG 3.89Å; H105-Y166 VanDerWaalsContact CB-CZ 3.44Å; H105-Y166 WeakPolarHBondContact O-CD1 3.49Å; L106-Y166 HydrophobicContact CD2-CE1 4.21Å; M164-Y166 PolarHBondContact O-N 2.82Å |
| 167 | G | 98.4 | Very high | 98.3 | Very high | 6 Ų | 6 | 28.8 Ų | 28.8 | 6% | 0.062 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 75.4 | -150.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y41 G162 M164 L165 W169 | Y41-G167 PolarHBondContact OH-O 2.68Å; G162-G167 CarbonylContact O-C 3.58Å; G162-G167 VanDerWaalsContact O-C 3.3Å; G162-G167 WeakPolarHBondContact O-CA 3.25Å; M164-G167 WeakPolarHBondContact O-CA 3.45Å; M164-G167 PolarHBondContact O-N 2.73Å; L165-G167 VanDerWaalsContact C-N 3.31Å; G167-W169 PolarHBondContact O-N 3.4Å |
| 168 | S | 98.6 | Very high | 98.3 | Very high | 22 Ų | 22 | 30.1 Ų | 30.1 | 15% | 0.154 | 15% | 0.153 | C | C | . | . | trans | -66.8 | 123.5 | -176.5 | 166.9 | 0 | 0 | 0 | 0 | 112.5 | Y170 D171 H172 | S168-Y170 PolarHBondContact O-N 3.45Å; S168-Y170 PolarHBondContact OG-N 2.77Å; S168-D171 WeakPolarHBondContact CB-OD2 3.31Å; S168-D171 PolarHBondContact O-N 2.9Å; S168-D171 PolarHBondContact OG-N 3.31Å; S168-D171 PolarHBondContact OG-OD2 3.36Å; S168-H172 WeakPolarHBondContact O-CB 3.43Å; S168-H172 PolarHBondContact O-N 3.48Å | ||
| 169 | W | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 0% | 0.004 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.1 | -41.7 | 171.4 | 173.2 | 96.4 | 0 | 0 | 0 | 111.3 | Y41 R127 A129 F159 G167 H172 V173 Y276 M280 F287 | Y41-W169 HydrophobicContact CD1-CB 4.4Å; Y41-W169 AromaticContact CD1-CD1 3.55Å; Y41-W169 HydrophobicContact CD1-CG 4.36Å; Y41-W169 HydrophobicContact CE1-CB 4.07Å; Y41-W169 AromaticContact CE1-CD1 3.92Å; Y41-W169 HydrophobicContact CE1-CG 4.43Å; Y41-W169 HydrophobicContact CE2-CB 4.32Å; Y41-W169 AromaticContact CG-CD1 3.96Å; R127-W169 VanDerWaalsContact O-CZ2 3.31Å; R127-W169 WeakPolarHBondContact O-CZ2 3.36Å; R127-W169 PolarHBondContact O-NE1 3.34Å; R127-W169 VanDerWaalsContact O-NE1 3.14Å; A129-W169 HydrophobicContact CB-CD2 3.56Å; A129-W169 HydrophobicContact CB-CE3 3.6Å; A129-W169 HydrophobicContact CB-CG 4.23Å; A129-W169 HydrophobicContact CB-CH2 3.79Å; A129-W169 HydrophobicContact CB-CZ2 3.7Å; A129-W169 HydrophobicContact CB-CZ3 3.72Å; F159-W169 HydrophobicContact CE1-CB 3.95Å; F159-W169 HydrophobicContact CE1-CG 4.37Å; F159-W169 HydrophobicContact CE2-CB 4.22Å; F159-W169 HydrophobicContact CZ-CB 3.5Å; F159-W169 VanDerWaalsContact CZ-CB 3.5Å; F159-W169 AromaticContact CZ-CG 3.78Å; F159-W169 HydrophobicContact CZ-CG 3.78Å; G167-W169 PolarHBondContact O-N 3.4Å; W169-H172 PolarHBondContact O-N 3.43Å; W169-V173 HydrophobicContact CD2-CG1 4.14Å; W169-V173 HydrophobicContact CD2-CG2 4.15Å; W169-V173 HydrophobicContact CE3-CG2 4.07Å; W169-V173 HydrophobicContact CG-CG1 4.43Å; W169-V173 HydrophobicContact CH2-CG2 3.81Å; W169-V173 HydrophobicContact CZ2-CB 4.5Å; W169-V173 HydrophobicContact CZ2-CG1 3.94Å; W169-V173 HydrophobicContact CZ2-CG2 3.91Å; W169-V173 HydrophobicContact CZ3-CG2 3.9Å; W169-V173 WeakPolarHBondContact O-CG2 3.46Å; W169-V173 PolarHBondContact O-N 3.14Å; W169-Y276 AromaticContact CH2-CE2 3.63Å; W169-Y276 HydrophobicContact CH2-CE2 3.63Å; W169-Y276 HydrophobicContact CZ3-CD2 4.18Å; W169-Y276 AromaticContact CZ3-CE2 3.57Å; W169-Y276 HydrophobicContact CZ3-CE2 3.57Å; W169-M280 HydrophobicContact CH2-CE 4.24Å; W169-M280 HydrophobicContact CH2-SD 4.48Å; W169-M280 HydrophobicContact CZ3-CE 4.19Å; W169-M280 HydrophobicContact CZ3-CG 4.23Å; W169-M280 HydrophobicContact CZ3-SD 3.85Å; W169-F287 AromaticContact CH2-CD2 3.9Å; W169-F287 HydrophobicContact CH2-CD2 3.9Å; W169-F287 HydrophobicContact CH2-CE1 4.41Å; W169-F287 AromaticContact CH2-CE2 3.61Å; W169-F287 HydrophobicContact CH2-CE2 3.61Å; W169-F287 HydrophobicContact CH2-CG 4.39Å; W169-F287 AromaticContact CH2-CZ 3.9Å; W169-F287 HydrophobicContact CH2-CZ 3.9Å; W169-F287 HydrophobicContact CZ2-CD1 4.27Å; W169-F287 HydrophobicContact CZ2-CD2 4.29Å; W169-F287 AromaticContact CZ2-CE1 3.87Å; W169-F287 HydrophobicContact CZ2-CE1 3.87Å; W169-F287 AromaticContact CZ2-CE2 3.88Å; W169-F287 HydrophobicContact CZ2-CE2 3.88Å; W169-F287 HydrophobicContact CZ2-CG 4.44Å; W169-F287 AromaticContact CZ2-CZ 3.66Å; W169-F287 HydrophobicContact CZ2-CZ 3.66Å |
| 170 | Y | 98.6 | Very high | 98.3 | Very high | 7 Ų | 7 | 31.8 Ų | 31.8 | 3% | 0.027 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.3 | -49.2 | -177.7 | -51.9 | -85.8 | 0 | 0 | 0 | 111.2 | L160 S168 H172 G174 D275 Y276 K279 M280 | L160-Y170 VanDerWaalsContact CD2-OH 3.3Å; L160-Y170 WeakPolarHBondContact CD2-OH 3.25Å; S168-Y170 PolarHBondContact O-N 3.45Å; S168-Y170 PolarHBondContact OG-N 2.77Å; Y170-H172 VanDerWaalsContact C-N 3.34Å; Y170-G174 PolarHBondContact O-N 3.09Å; Y170-D275 VanDerWaalsContact CZ-OD2 3.29Å; Y170-D275 PolarHBondContact OH-OD2 3.18Å; Y170-Y276 AromaticContact CE1-CD2 3.88Å; Y170-Y276 HydrophobicContact CE1-CD2 3.88Å; Y170-Y276 HydrophobicContact CE1-CG 4.47Å; Y170-K279 HydrophobicContact CD1-CB 3.69Å; Y170-K279 HydrophobicContact CD1-CD 4.04Å; Y170-K279 HydrophobicContact CD2-CD 3.53Å; Y170-K279 HydrophobicContact CE1-CB 4.16Å; Y170-K279 HydrophobicContact CE1-CD 4.12Å; Y170-K279 HydrophobicContact CE2-CD 3.65Å; Y170-K279 HydrophobicContact CG-CB 3.91Å; Y170-K279 HydrophobicContact CG-CD 3.75Å; Y170-K279 HydrophobicContact CG-CG 4.46Å; Y170-M280 HydrophobicContact CD1-CG 3.84Å; Y170-M280 HydrophobicContact CD1-SD 3.9Å; Y170-M280 HydrophobicContact CE1-CG 4.43Å |
| 171 | D | 98.4 | Very high | 98.2 | Very high | 96 Ų | 96 | 37.8 Ų | 37.8 | 51% | 0.513 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -67.6 | -39.2 | 179 | -64.5 | -49.7 | 0 | 0 | 0 | 110.8 | S168 N175 | S168-D171 WeakPolarHBondContact CB-OD2 3.31Å; S168-D171 PolarHBondContact O-N 2.9Å; S168-D171 PolarHBondContact OG-N 3.31Å; S168-D171 PolarHBondContact OG-OD2 3.36Å; D171-N175 WeakPolarHBondContact O-CB 3.29Å; D171-N175 PolarHBondContact O-N 3.39Å; D171-N175 PolarHBondContact O-ND2 2.67Å; D171-N175 VanDerWaalsContact O-ND2 3.13Å |
| 172 | H | 98.8 | Very high | 98.2 | Very high | 3 Ų | 3 | 38.3 Ų | 38.3 | 1% | 0.014 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.9 | -58.7 | 179.3 | -161.1 | -73.5 | 0 | 0 | 0 | 111.4 | Y41 H105 L106 Y124 S168 W169 Y170 G174 N175 W176 | Y41-H172 HydrophobicContact CD2-CB 3.74Å; Y41-H172 AromaticContact CD2-CD2 3.88Å; Y41-H172 AromaticContact CD2-CG 3.68Å; Y41-H172 HydrophobicContact CE2-CB 4.48Å; Y41-H172 PolarHBondContact N-CE1 2.78Å; H105-H172 PolarHBondContact O-NE2 3.09Å; L106-H172 PolarHBondContact O-NE2 3.43Å; Y124-H172 AromaticContact CE2-CE1 3.73Å; Y124-H172 AromaticContact CE2-ND1 3.8Å; Y124-H172 AromaticContact CZ-ND1 3.77Å; Y124-H172 PolarHBondContact OH-ND1 3Å; S168-H172 WeakPolarHBondContact O-CB 3.43Å; S168-H172 PolarHBondContact O-N 3.48Å; W169-H172 PolarHBondContact O-N 3.43Å; Y170-H172 VanDerWaalsContact C-N 3.34Å; H172-G174 VanDerWaalsContact C-N 3.34Å; H172-G174 PolarHBondContact O-N 3.31Å; H172-N175 PolarHBondContact O-N 3.3Å; H172-W176 AromaticContact CE1-CD1 3.46Å; H172-W176 VanDerWaalsContact CE1-CD1 3.46Å; H172-W176 AromaticContact CE1-NE1 3.35Å; H172-W176 PolarHBondContact CE1-NE1 3.32Å; H172-W176 VanDerWaalsContact CE1-NE1 3.35Å; H172-W176 AromaticContact ND1-CD1 3.47Å; H172-W176 AromaticContact ND1-NE1 3.85Å; H172-W176 AromaticContact NE2-NE1 3.83Å; H172-W176 VanDerWaalsContact O-CD1 3.25Å; H172-W176 PolarHBondContact O-N 2.81Å; H172-W176 VanDerWaalsContact O-N 3.13Å |
| 173 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.2 | -39.2 | -179.3 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | Y124 A126 W169 W177 Y188 M280 L285 F287 | Y124-V173 WeakPolarHBondContact OH-CA 3.31Å; A126-V173 HydrophobicContact CB-CG1 4.41Å; W169-V173 HydrophobicContact CD2-CG1 4.14Å; W169-V173 HydrophobicContact CD2-CG2 4.15Å; W169-V173 HydrophobicContact CE3-CG2 4.07Å; W169-V173 HydrophobicContact CG-CG1 4.43Å; W169-V173 HydrophobicContact CH2-CG2 3.81Å; W169-V173 HydrophobicContact CZ2-CB 4.5Å; W169-V173 HydrophobicContact CZ2-CG1 3.94Å; W169-V173 HydrophobicContact CZ2-CG2 3.91Å; W169-V173 HydrophobicContact CZ3-CG2 3.9Å; W169-V173 WeakPolarHBondContact O-CG2 3.46Å; W169-V173 PolarHBondContact O-N 3.14Å; V173-W177 VanDerWaalsContact O-CB 3.27Å; V173-W177 WeakPolarHBondContact O-CB 3.41Å; V173-W177 PolarHBondContact O-N 3.05Å; V173-Y188 PolarHBondContact O-OH 2.84Å; V173-M280 HydrophobicContact CG2-CE 4.01Å; V173-M280 HydrophobicContact CG2-SD 4.4Å; V173-L285 HydrophobicContact CG2-CD2 4.21Å; V173-F287 HydrophobicContact CB-CZ 3.98Å; V173-F287 HydrophobicContact CG1-CZ 4.17Å; V173-F287 HydrophobicContact CG2-CE2 4.13Å; V173-F287 HydrophobicContact CG2-CZ 3.96Å |
| 174 | G | 98.6 | Very high | 98.2 | Very high | 13 Ų | 13 | 39.3 Ų | 39.3 | 13% | 0.134 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.6 | -42 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y170 H172 W177 K178 | Y170-G174 PolarHBondContact O-N 3.09Å; H172-G174 VanDerWaalsContact C-N 3.34Å; H172-G174 PolarHBondContact O-N 3.31Å; G174-W177 PolarHBondContact O-N 3.07Å; G174-K178 VanDerWaalsContact O-CG 3.27Å; G174-K178 WeakPolarHBondContact O-CG 3.38Å; G174-K178 PolarHBondContact O-N 3.41Å |
| 175 | N | 98.6 | Very high | 98.3 | Very high | 48 Ų | 48 | 43 Ų | 43 | 26% | 0.257 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -74.2 | -38 | -179 | -67.2 | -23.5 | 0 | 0 | 0 | 111.9 | V108 D171 H172 W177 K178 K179 | V108-N175 HydrophobicContact CG2-CB 4.31Å; D171-N175 WeakPolarHBondContact O-CB 3.29Å; D171-N175 PolarHBondContact O-N 3.39Å; D171-N175 PolarHBondContact O-ND2 2.67Å; D171-N175 VanDerWaalsContact O-ND2 3.13Å; H172-N175 PolarHBondContact O-N 3.3Å; N175-W177 VanDerWaalsContact C-N 3.33Å; N175-K178 PolarHBondContact O-N 3.07Å; N175-K178 PolarHBondContact OD1-NZ 2.69Å; N175-K179 PolarHBondContact O-N 3.44Å |
| 176 | W | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.9 | -39.3 | 170.1 | -83.5 | 101.2 | 0 | 0 | 0 | 111.7 | L37 A39 L106 V108 V111 W116 M122 Y124 H172 K179 T180 L186 Y188 | L37-W176 HydrophobicContact CD2-CH2 4.47Å; A39-W176 HydrophobicContact CB-CD2 4.38Å; A39-W176 HydrophobicContact CB-CE3 4.38Å; A39-W176 HydrophobicContact CB-CH2 3.36Å; A39-W176 HydrophobicContact CB-CZ2 3.31Å; A39-W176 HydrophobicContact CB-CZ3 3.92Å; L106-W176 PolarHBondContact O-NE1 3.37Å; V108-W176 HydrophobicContact CG2-CB 4.12Å; V108-W176 HydrophobicContact CG2-CD2 3.45Å; V108-W176 VanDerWaalsContact CG2-CD2 3.45Å; V108-W176 HydrophobicContact CG2-CE3 4.07Å; V108-W176 HydrophobicContact CG2-CG 3.44Å; V108-W176 VanDerWaalsContact CG2-CG 3.44Å; V108-W176 HydrophobicContact CG2-CZ2 4.3Å; V111-W176 HydrophobicContact CG2-CH2 3.84Å; V111-W176 HydrophobicContact CG2-CZ2 3.55Å; W116-W176 HydrophobicContact CH2-CH2 4.26Å; W116-W176 HydrophobicContact CH2-CZ3 4.19Å; M122-W176 HydrophobicContact SD-CH2 4.14Å; M122-W176 HydrophobicContact SD-CZ3 3.91Å; Y124-W176 HydrophobicContact CD1-CB 4.13Å; Y124-W176 HydrophobicContact CD2-CB 3.71Å; Y124-W176 AromaticContact CD2-CD1 3.81Å; Y124-W176 AromaticContact CD2-CD2 3.32Å; Y124-W176 HydrophobicContact CD2-CD2 3.32Å; Y124-W176 AromaticContact CD2-CE2 3.84Å; Y124-W176 AromaticContact CD2-CE3 3.69Å; Y124-W176 HydrophobicContact CD2-CE3 3.69Å; Y124-W176 AromaticContact CD2-CG 3.34Å; Y124-W176 HydrophobicContact CD2-CG 3.34Å; Y124-W176 HydrophobicContact CD2-CZ3 4.46Å; Y124-W176 HydrophobicContact CE1-CB 3.96Å; Y124-W176 HydrophobicContact CE1-CG 4.45Å; Y124-W176 HydrophobicContact CE2-CB 3.58Å; Y124-W176 AromaticContact CE2-CD1 3.2Å; Y124-W176 AromaticContact CE2-CD2 3.6Å; Y124-W176 HydrophobicContact CE2-CD2 3.6Å; Y124-W176 AromaticContact CE2-CE2 3.9Å; Y124-W176 HydrophobicContact CE2-CE3 4.41Å; Y124-W176 AromaticContact CE2-CG 3.16Å; Y124-W176 HydrophobicContact CE2-CG 3.16Å; Y124-W176 AromaticContact CE2-NE1 3.63Å; Y124-W176 HydrophobicContact CG-CB 3.99Å; Y124-W176 HydrophobicContact CG-CD2 4.17Å; Y124-W176 HydrophobicContact CG-CE3 4.22Å; Y124-W176 HydrophobicContact CG-CG 4.1Å; Y124-W176 AromaticContact CZ-CD1 3.81Å; Y124-W176 AromaticContact CZ-CG 3.76Å; H172-W176 AromaticContact CE1-CD1 3.46Å; H172-W176 VanDerWaalsContact CE1-CD1 3.46Å; H172-W176 AromaticContact CE1-NE1 3.35Å; H172-W176 PolarHBondContact CE1-NE1 3.32Å; H172-W176 VanDerWaalsContact CE1-NE1 3.35Å; H172-W176 AromaticContact ND1-CD1 3.47Å; H172-W176 AromaticContact ND1-NE1 3.85Å; H172-W176 AromaticContact NE2-NE1 3.83Å; H172-W176 VanDerWaalsContact O-CD1 3.25Å; H172-W176 PolarHBondContact O-N 2.81Å; H172-W176 VanDerWaalsContact O-N 3.13Å; W176-K179 WeakPolarHBondContact O-CB 3.32Å; W176-K179 PolarHBondContact O-N 3.25Å; W176-T180 PolarHBondContact O-N 2.81Å; W176-L186 HydrophobicContact CE3-CD1 3.92Å; W176-L186 HydrophobicContact CE3-CD2 3.95Å; W176-L186 HydrophobicContact CZ3-CD1 3.87Å; W176-L186 HydrophobicContact CZ3-CD2 4.37Å; W176-L186 WeakPolarHBondContact O-CD2 3.34Å; W176-Y188 HydrophobicContact CB-CE2 4.1Å |
| 177 | W | 98.7 | Very high | 98.3 | Very high | 34 Ų | 34 | 44.9 Ų | 44.9 | 13% | 0.129 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.6 | -46.9 | 174.5 | 179.6 | -108.3 | 0 | 0 | 0 | 112.5 | V173 G174 N175 K179 T180 Y188 F190 D282 T284 L285 | V173-W177 VanDerWaalsContact O-CB 3.27Å; V173-W177 WeakPolarHBondContact O-CB 3.41Å; V173-W177 PolarHBondContact O-N 3.05Å; G174-W177 PolarHBondContact O-N 3.07Å; N175-W177 VanDerWaalsContact C-N 3.33Å; W177-K179 PolarHBondContact O-N 3.01Å; W177-T180 HydrophobicContact CE3-CG2 4.39Å; W177-T180 VanDerWaalsContact O-CB 3.31Å; W177-T180 WeakPolarHBondContact O-CB 3.49Å; W177-T180 WeakPolarHBondContact O-CG2 3.31Å; W177-T180 PolarHBondContact O-N 3.24Å; W177-T180 VanDerWaalsContact O-N 3.09Å; W177-T180 PolarHBondContact O-OG1 3.36Å; W177-Y188 HydrophobicContact CB-CD2 4.47Å; W177-Y188 HydrophobicContact CB-CE2 3.87Å; W177-Y188 AromaticContact CE3-CD1 3.63Å; W177-Y188 HydrophobicContact CE3-CD1 3.63Å; W177-Y188 AromaticContact CE3-CD2 3.82Å; W177-Y188 HydrophobicContact CE3-CD2 3.82Å; W177-Y188 AromaticContact CE3-CE1 3.81Å; W177-Y188 HydrophobicContact CE3-CE1 3.81Å; W177-Y188 AromaticContact CE3-CE2 3.99Å; W177-Y188 HydrophobicContact CE3-CE2 3.99Å; W177-Y188 AromaticContact CE3-CG 3.63Å; W177-Y188 HydrophobicContact CE3-CG 3.63Å; W177-Y188 AromaticContact CE3-CZ 3.98Å; W177-Y188 AromaticContact CZ3-CD1 3.75Å; W177-Y188 HydrophobicContact CZ3-CD1 3.75Å; W177-Y188 HydrophobicContact CZ3-CE1 4.23Å; W177-Y188 AromaticContact CZ3-CG 3.94Å; W177-Y188 HydrophobicContact CZ3-CG 3.94Å; W177-F190 HydrophobicContact CZ3-CZ 4.27Å; W177-D282 VanDerWaalsContact CD1-OD2 3.27Å; W177-D282 PolarHBondContact NE1-OD2 3.09Å; W177-T284 WeakPolarHBondContact CZ2-O 3.09Å; W177-T284 PolarHBondContact NE1-OG1 3.01Å; W177-L285 HydrophobicContact CB-CD1 4.28Å; W177-L285 HydrophobicContact CB-CD2 3.77Å; W177-L285 HydrophobicContact CB-CG 4.46Å; W177-L285 HydrophobicContact CD2-CB 4.17Å; W177-L285 HydrophobicContact CD2-CD1 3.86Å; W177-L285 HydrophobicContact CD2-CG 4.43Å; W177-L285 HydrophobicContact CE3-CD1 3.95Å; W177-L285 HydrophobicContact CG-CB 3.98Å; W177-L285 HydrophobicContact CG-CD1 4.02Å; W177-L285 HydrophobicContact CG-CD2 3.96Å; W177-L285 HydrophobicContact CG-CG 4.2Å |
| 178 | K | 98.3 | Very high | 98.3 | Very high | 121 Ų | 121 | 45.8 Ų | 45.8 | 53% | 0.526 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57.2 | -38.3 | 174.8 | -72.6 | 168.1 | -169.4 | 166.3 | 0 | 111.5 | G174 N175 T180 K181 | G174-K178 VanDerWaalsContact O-CG 3.27Å; G174-K178 WeakPolarHBondContact O-CG 3.38Å; G174-K178 PolarHBondContact O-N 3.41Å; N175-K178 PolarHBondContact O-N 3.07Å; N175-K178 PolarHBondContact OD1-NZ 2.69Å; K178-T180 PolarHBondContact O-N 3.03Å; K178-K181 WeakPolarHBondContact O-CB 3.49Å; K178-K181 WeakPolarHBondContact O-CG 3.22Å; K178-K181 PolarHBondContact O-N 2.89Å |
| 179 | K | 98.3 | Very high | 98.3 | Very high | 57 Ų | 57 | 44.9 Ų | 44.9 | 25% | 0.248 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.4 | -32.4 | 179.2 | -164.8 | 66.9 | 170.7 | -175.1 | 0 | 112.3 | V108 W116 N175 W176 W177 K181 T182 Y183 L186 | V108-K179 HydrophobicContact CG1-CD 4.06Å; V108-K179 HydrophobicContact CG1-CG 4.32Å; W116-K179 HydrophobicContact CH2-CD 4.31Å; W116-K179 HydrophobicContact CH2-CG 4.04Å; W116-K179 HydrophobicContact CZ3-CD 4.28Å; W116-K179 HydrophobicContact CZ3-CG 4.06Å; N175-K179 PolarHBondContact O-N 3.44Å; W176-K179 WeakPolarHBondContact O-CB 3.32Å; W176-K179 PolarHBondContact O-N 3.25Å; W177-K179 PolarHBondContact O-N 3.01Å; K179-K181 PolarHBondContact O-N 3.38Å; K179-K181 VanDerWaalsContact O-N 3.1Å; K179-T182 CarbonylContact O-C 3.5Å; K179-T182 PolarHBondContact O-N 2.9Å; K179-T182 PolarHBondContact O-OG1 3.32Å; K179-Y183 WeakPolarHBondContact O-CB 3.33Å; K179-Y183 PolarHBondContact O-N 2.62Å; K179-L186 HydrophobicContact CB-CD2 3.91Å; K179-L186 HydrophobicContact CG-CD2 4.14Å |
| 180 | T | 97.7 | Very high | 98.3 | Very high | 30 Ų | 30 | 46.2 Ų | 46.2 | 18% | 0.184 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.3 | -28 | 176.2 | 70.9 | 0 | 0 | 0 | 0 | 113.1 | W176 W177 K178 T182 L186 Y188 | W176-T180 PolarHBondContact O-N 2.81Å; W177-T180 HydrophobicContact CE3-CG2 4.39Å; W177-T180 VanDerWaalsContact O-CB 3.31Å; W177-T180 WeakPolarHBondContact O-CB 3.49Å; W177-T180 WeakPolarHBondContact O-CG2 3.31Å; W177-T180 PolarHBondContact O-N 3.24Å; W177-T180 VanDerWaalsContact O-N 3.09Å; W177-T180 PolarHBondContact O-OG1 3.36Å; K178-T180 PolarHBondContact O-N 3.03Å; T180-T182 VanDerWaalsContact C-N 3.28Å; T180-T182 PolarHBondContact O-N 3.09Å; T180-L186 HydrophobicContact CG2-CD2 3.72Å; T180-L186 HydrophobicContact CG2-CG 4.08Å; T180-Y188 HydrophobicContact CG2-CD2 3.9Å; T180-Y188 HydrophobicContact CG2-CG 4.2Å |
| 181 | K | 96.8 | Very high | 98.3 | Very high | 136 Ų | 136 | 46.5 Ų | 46.5 | 59% | 0.591 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -21.8 | 179.4 | -50 | -53.2 | 178.5 | -167.4 | 0 | 112.9 | K178 K179 | K178-K181 WeakPolarHBondContact O-CB 3.49Å; K178-K181 WeakPolarHBondContact O-CG 3.22Å; K178-K181 PolarHBondContact O-N 2.89Å; K179-K181 PolarHBondContact O-N 3.38Å; K179-K181 VanDerWaalsContact O-N 3.1Å |
| 182 | T | 97.2 | Very high | 98.4 | Very high | 102 Ų | 102 | 42 Ų | 42 | 63% | 0.626 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -115.6 | -12.1 | -175.2 | 57.6 | 0 | 0 | 0 | 0 | 113.6 | K179 T180 | K179-T182 CarbonylContact O-C 3.5Å; K179-T182 PolarHBondContact O-N 2.9Å; K179-T182 PolarHBondContact O-OG1 3.32Å; T180-T182 VanDerWaalsContact C-N 3.28Å; T180-T182 PolarHBondContact O-N 3.09Å |
| 183 | Y | 98.3 | Very high | 98.4 | Very high | 20 Ų | 20 | 43.3 Ų | 43.3 | 8% | 0.078 | 22% | 0.218 | C | C | . | . | trans | -131.7 | 93.2 | -174.2 | -163.8 | -98 | 0 | 0 | 0 | 110.8 | W116 N119 C120 M122 K179 K185 L186 | W116-Y183 HydrophobicContact CE3-CD2 4.06Å; W116-Y183 HydrophobicContact CE3-CE1 4.5Å; W116-Y183 AromaticContact CE3-CE2 3.9Å; W116-Y183 HydrophobicContact CE3-CE2 3.9Å; W116-Y183 HydrophobicContact CE3-CG 4.41Å; W116-Y183 HydrophobicContact CZ3-CD1 4.27Å; W116-Y183 HydrophobicContact CZ3-CD2 4.32Å; W116-Y183 HydrophobicContact CZ3-CE1 4.37Å; W116-Y183 HydrophobicContact CZ3-CE2 4.44Å; W116-Y183 HydrophobicContact CZ3-CG 4.22Å; N119-Y183 VanDerWaalsContact CA-OH 3.27Å; N119-Y183 WeakPolarHBondContact CA-OH 3.48Å; N119-Y183 PolarHBondContact OD1-OH 2.95Å; C120-Y183 PolarHBondContact N-OH 3.4Å; C120-Y183 VanDerWaalsContact N-OH 3.13Å; C120-Y183 WeakPolarHBondContact O-CE1 3.49Å; C120-Y183 PolarHBondContact O-OH 2.88Å; M122-Y183 HydrophobicContact CE-CE1 4.31Å; M122-Y183 HydrophobicContact CG-CE1 4.1Å; M122-Y183 HydrophobicContact SD-CE1 4.11Å; K179-Y183 WeakPolarHBondContact O-CB 3.33Å; K179-Y183 PolarHBondContact O-N 2.62Å; Y183-K185 HydrophobicContact CD1-CB 4.23Å; Y183-K185 HydrophobicContact CE1-CB 3.68Å; Y183-K185 PolarHBondContact O-N 2.97Å; Y183-L186 HydrophobicContact CD1-CB 3.77Å; Y183-L186 WeakPolarHBondContact O-CB 3.23Å; Y183-L186 PolarHBondContact O-N 3.38Å; Y183-L186 VanDerWaalsContact O-N 3.15Å | ||
| 184 | P | 96.8 | Very high | 98.3 | Very high | 120 Ų | 120 | 43.3 Ų | 43.3 | 78% | 0.779 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -22.5 | -174.6 | -25.1 | 34.9 | 0 | 0 | 0 | 114.8 | L186 | P184-L186 PolarHBondContact O-N 2.79Š|
| 185 | K | 98.4 | Very high | 98.3 | Very high | 78 Ų | 78 | 44.2 Ų | 44.2 | 34% | 0.339 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 23.8 | 176.3 | -70.6 | -167.2 | -175.1 | 179.1 | 0 | 113.3 | N119 R121 M122 Y183 F208 | N119-K185 WeakPolarHBondContact ND2-CE 3.46Å; N119-K185 PolarHBondContact ND2-NZ 3.39Å; N119-K185 WeakPolarHBondContact O-CD 3.3Å; N119-K185 PolarHBondContact O-NZ 2.93Å; N119-K185 WeakPolarHBondContact OD1-CD 3.24Å; R121-K185 HydrophobicContact CG-CD 4.23Å; M122-K185 PolarHBondContact N-O 3.37Å; Y183-K185 HydrophobicContact CD1-CB 4.23Å; Y183-K185 HydrophobicContact CE1-CB 3.68Å; Y183-K185 PolarHBondContact O-N 2.97Å; K185-F208 WeakPolarHBondContact O-CZ 3.45Å |
| 186 | L | 98.8 | Very high | 98.3 | Very high | 12 Ų | 12 | 46.2 Ų | 46.2 | 6% | 0.063 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 113 | 170.3 | 172.9 | 64.9 | 0 | 0 | 0 | 109.4 | M122 W176 K179 T180 Y183 P184 | M122-L186 HydrophobicContact CB-CB 4.36Å; M122-L186 HydrophobicContact CB-CD1 3.54Å; M122-L186 CarbonylContact O-C 3.52Å; M122-L186 WeakPolarHBondContact O-CA 3.32Å; W176-L186 HydrophobicContact CE3-CD1 3.92Å; W176-L186 HydrophobicContact CE3-CD2 3.95Å; W176-L186 HydrophobicContact CZ3-CD1 3.87Å; W176-L186 HydrophobicContact CZ3-CD2 4.37Å; W176-L186 WeakPolarHBondContact O-CD2 3.34Å; K179-L186 HydrophobicContact CB-CD2 3.91Å; K179-L186 HydrophobicContact CG-CD2 4.14Å; T180-L186 HydrophobicContact CG2-CD2 3.72Å; T180-L186 HydrophobicContact CG2-CG 4.08Å; Y183-L186 HydrophobicContact CD1-CB 3.77Å; Y183-L186 WeakPolarHBondContact O-CB 3.23Å; Y183-L186 PolarHBondContact O-N 3.38Å; Y183-L186 VanDerWaalsContact O-N 3.15Å; P184-L186 PolarHBondContact O-N 2.79Å |
| 187 | H | 98.8 | Very high | 98.3 | Very high | 37 Ų | 37 | 49 Ų | 49 | 17% | 0.171 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 119 | 171.4 | -171.3 | 64.3 | 0 | 0 | 0 | 109.7 | M122 V123 Y124 M189 F208 | M122-H187 PolarHBondContact O-N 3.26Å; V123-H187 WeakPolarHBondContact CA-O 3.36Å; Y124-H187 PolarHBondContact N-O 3.02Å; H187-M189 WeakPolarHBondContact CD2-CG 3.28Å; H187-M189 WeakPolarHBondContact NE2-CG 3.45Å; H187-F208 HydrophobicContact CB-CB 4.39Å; H187-F208 HydrophobicContact CB-CD1 3.54Å; H187-F208 HydrophobicContact CB-CD2 3.79Å; H187-F208 HydrophobicContact CB-CE1 3.62Å; H187-F208 HydrophobicContact CB-CE2 3.86Å; H187-F208 HydrophobicContact CB-CG 3.63Å; H187-F208 HydrophobicContact CB-CZ 3.78Å; H187-F208 AromaticContact CG-CG 3.94Å |
| 188 | Y | 98.8 | Very high | 98.3 | Very high | 24 Ų | 24 | 48.7 Ų | 48.7 | 9% | 0.094 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 120.6 | -178.5 | -164.2 | -70.9 | 0 | 0 | 0 | 109.7 | Y124 A126 V173 W176 W177 T180 F190 L285 | Y124-Y188 HydrophobicContact CD1-CD1 4.4Å; Y124-Y188 AromaticContact CD1-CD2 3.44Å; Y124-Y188 HydrophobicContact CD1-CD2 3.44Å; Y124-Y188 VanDerWaalsContact CD1-CD2 3.44Å; Y124-Y188 HydrophobicContact CD1-CE1 4.16Å; Y124-Y188 AromaticContact CD1-CE2 3.13Å; Y124-Y188 HydrophobicContact CD1-CE2 3.13Å; Y124-Y188 HydrophobicContact CD1-CG 4.09Å; Y124-Y188 AromaticContact CD1-CZ 3.54Å; Y124-Y188 HydrophobicContact CE1-CD2 4.18Å; Y124-Y188 HydrophobicContact CE1-CE1 4.39Å; Y124-Y188 AromaticContact CE1-CE2 3.38Å; Y124-Y188 HydrophobicContact CE1-CE2 3.38Å; Y124-Y188 AromaticContact CE1-CZ 3.51Å; Y124-Y188 WeakPolarHBondContact CE1-OH 3.2Å; Y124-Y188 HydrophobicContact CG-CD2 4.07Å; Y124-Y188 HydrophobicContact CG-CE2 4.06Å; Y124-Y188 WeakPolarHBondContact O-CA 3.09Å; A126-Y188 HydrophobicContact CB-CE1 3.52Å; A126-Y188 WeakPolarHBondContact CB-OH 3.27Å; V173-Y188 PolarHBondContact O-OH 2.84Å; W176-Y188 HydrophobicContact CB-CE2 4.1Å; W177-Y188 HydrophobicContact CB-CD2 4.47Å; W177-Y188 HydrophobicContact CB-CE2 3.87Å; W177-Y188 AromaticContact CE3-CD1 3.63Å; W177-Y188 HydrophobicContact CE3-CD1 3.63Å; W177-Y188 AromaticContact CE3-CD2 3.82Å; W177-Y188 HydrophobicContact CE3-CD2 3.82Å; W177-Y188 AromaticContact CE3-CE1 3.81Å; W177-Y188 HydrophobicContact CE3-CE1 3.81Å; W177-Y188 AromaticContact CE3-CE2 3.99Å; W177-Y188 HydrophobicContact CE3-CE2 3.99Å; W177-Y188 AromaticContact CE3-CG 3.63Å; W177-Y188 HydrophobicContact CE3-CG 3.63Å; W177-Y188 AromaticContact CE3-CZ 3.98Å; W177-Y188 AromaticContact CZ3-CD1 3.75Å; W177-Y188 HydrophobicContact CZ3-CD1 3.75Å; W177-Y188 HydrophobicContact CZ3-CE1 4.23Å; W177-Y188 AromaticContact CZ3-CG 3.94Å; W177-Y188 HydrophobicContact CZ3-CG 3.94Å; T180-Y188 HydrophobicContact CG2-CD2 3.9Å; T180-Y188 HydrophobicContact CG2-CG 4.2Å; Y188-F190 HydrophobicContact CD1-CE1 4.48Å; Y188-F190 HydrophobicContact CD1-CE2 4.12Å; Y188-F190 AromaticContact CD1-CZ 4Å; Y188-F190 HydrophobicContact CD1-CZ 4Å; Y188-F190 HydrophobicContact CE1-CD1 4.42Å; Y188-F190 AromaticContact CE1-CE1 3.81Å; Y188-F190 HydrophobicContact CE1-CE1 3.81Å; Y188-F190 HydrophobicContact CE1-CE2 4.25Å; Y188-F190 AromaticContact CE1-CZ 3.7Å; Y188-F190 HydrophobicContact CE1-CZ 3.7Å; Y188-L285 HydrophobicContact CE1-CD1 4.05Å |
| 189 | M | 98.6 | Very high | 98.2 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.02 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 160 | -176 | -53.8 | 177.1 | 76.5 | 0 | 0 | 110.7 | V49 V123 Y124 V125 A126 H187 I194 E201 L205 | V49-M189 HydrophobicContact CG2-SD 4.36Å; V123-M189 HydrophobicContact CG1-SD 3.81Å; Y124-M189 PolarHBondContact O-N 3.25Å; V125-M189 HydrophobicContact CG2-CB 4.31Å; V125-M189 HydrophobicContact CG2-SD 4.49Å; A126-M189 PolarHBondContact N-O 3.13Å; H187-M189 WeakPolarHBondContact CD2-CG 3.28Å; H187-M189 WeakPolarHBondContact NE2-CG 3.45Å; M189-I194 HydrophobicContact CE-CD1 4.21Å; M189-I194 HydrophobicContact CE-CG1 4.18Å; M189-E201 HydrophobicContact CE-CB 3.86Å; M189-L205 HydrophobicContact SD-CD1 4.2Å |
| 190 | F | 98.9 | Very high | 98.2 | Very high | 29 Ų | 29 | 48.9 Ų | 48.9 | 13% | 0.127 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 133.1 | 173.8 | -61.7 | -89.7 | 0 | 0 | 0 | 109.9 | A126 W177 Y188 E192 D193 I194 L285 R286 F287 | A126-F190 HydrophobicContact CB-CD1 4.29Å; A126-F190 HydrophobicContact CB-CE1 4.49Å; A126-F190 CarbonylContact O-C 3.59Å; A126-F190 WeakPolarHBondContact O-CA 3.47Å; W177-F190 HydrophobicContact CZ3-CZ 4.27Å; Y188-F190 HydrophobicContact CD1-CE1 4.48Å; Y188-F190 HydrophobicContact CD1-CE2 4.12Å; Y188-F190 AromaticContact CD1-CZ 4Å; Y188-F190 HydrophobicContact CD1-CZ 4Å; Y188-F190 HydrophobicContact CE1-CD1 4.42Å; Y188-F190 AromaticContact CE1-CE1 3.81Å; Y188-F190 HydrophobicContact CE1-CE1 3.81Å; Y188-F190 HydrophobicContact CE1-CE2 4.25Å; Y188-F190 AromaticContact CE1-CZ 3.7Å; Y188-F190 HydrophobicContact CE1-CZ 3.7Å; F190-E192 PolarHBondContact O-N 2.99Å; F190-D193 HydrophobicContact CB-CB 4.33Å; F190-D193 PolarHBondContact O-N 3.22Å; F190-I194 WeakPolarHBondContact O-CG1 3.38Å; F190-I194 PolarHBondContact O-N 3.21Å; F190-L285 HydrophobicContact CE1-CD1 3.78Å; F190-L285 HydrophobicContact CZ-CD1 3.81Å; F190-R286 WeakPolarHBondContact CE1-O 3.43Å; F190-F287 AromaticContact CD1-CD1 3.94Å; F190-F287 HydrophobicContact CD1-CD1 3.94Å; F190-F287 AromaticContact CD1-CE1 3.91Å; F190-F287 HydrophobicContact CD1-CE1 3.91Å; F190-F287 HydrophobicContact CE1-CD1 4.12Å; F190-F287 AromaticContact CE1-CE1 3.93Å; F190-F287 HydrophobicContact CE1-CE1 3.93Å; F190-F287 HydrophobicContact CE1-CZ 4.19Å |
| 191 | Y | 98.9 | Very high | 98.3 | Very high | 12 Ų | 12 | 47.7 Ų | 47.7 | 5% | 0.047 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -53.8 | -38.1 | 174.5 | 176.7 | -90.7 | 0 | 0 | 0 | 111.3 | W48 A126 R127 D193 I194 A195 G255 V257 | W48-Y191 HydrophobicContact CE3-CD2 4.01Å; W48-Y191 AromaticContact CE3-CE2 3.57Å; W48-Y191 HydrophobicContact CE3-CE2 3.57Å; W48-Y191 HydrophobicContact CZ3-CD2 4.12Å; W48-Y191 AromaticContact CZ3-CE2 3.61Å; W48-Y191 HydrophobicContact CZ3-CE2 3.61Å; W48-Y191 AromaticContact CZ3-CZ 3.94Å; A126-Y191 WeakPolarHBondContact O-CB 3.44Å; A126-Y191 PolarHBondContact O-N 3.09Å; R127-Y191 HydrophobicContact CB-CG 4.26Å; R127-Y191 HydrophobicContact CG-CD1 3.86Å; R127-Y191 HydrophobicContact CG-CG 3.86Å; Y191-D193 VanDerWaalsContact C-N 3.31Å; Y191-D193 PolarHBondContact O-N 3.13Å; Y191-I194 PolarHBondContact O-N 3.3Å; Y191-A195 HydrophobicContact CE1-CB 4.42Å; Y191-A195 WeakPolarHBondContact O-CB 3.49Å; Y191-A195 PolarHBondContact O-N 3.04Å; Y191-G255 WeakPolarHBondContact OH-CA 3.25Å; Y191-G255 PolarHBondContact OH-O 2.6Å; Y191-V257 HydrophobicContact CD1-CG2 4.07Å; Y191-V257 HydrophobicContact CE1-CG2 3.97Å |
| 192 | E | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.4 | -37.5 | 178.9 | -63.3 | 74.3 | -154.4 | 0 | 0 | 112.3 | R127 N128 F190 A195 E196 V257 R288 I291 | R127-E192 WeakPolarHBondContact CG-OE1 3.29Å; N128-E192 WeakPolarHBondContact CB-OE1 3.43Å; N128-E192 PolarHBondContact N-OE1 2.86Å; N128-E192 PolarHBondContact ND2-OE1 3.46Å; F190-E192 PolarHBondContact O-N 2.99Å; E192-A195 PolarHBondContact O-N 3.02Å; E192-E196 WeakPolarHBondContact O-CB 3.25Å; E192-E196 PolarHBondContact O-N 2.71Å; E192-V257 HydrophobicContact CB-CG2 4.26Å; E192-V257 HydrophobicContact CG-CG1 3.76Å; E192-V257 HydrophobicContact CG-CG2 3.92Å; E192-R288 HydrophobicContact CB-CB 4.31Å; E192-R288 HydrophobicContact CG-CB 4.2Å; E192-R288 VanDerWaalsContact CG-O 3.31Å; E192-R288 WeakPolarHBondContact CG-O 3.46Å; E192-I291 HydrophobicContact CB-CG2 4.27Å |
| 193 | D | 98.8 | Very high | 98.4 | Very high | 31 Ų | 31 | 39.2 Ų | 39.2 | 17% | 0.166 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.4 | -38.4 | 177.6 | -61 | -7.4 | 0 | 0 | 0 | 110.8 | F190 Y191 A195 E196 D197 E201 R288 | F190-D193 HydrophobicContact CB-CB 4.33Å; F190-D193 PolarHBondContact O-N 3.22Å; Y191-D193 VanDerWaalsContact C-N 3.31Å; Y191-D193 PolarHBondContact O-N 3.13Å; D193-A195 VanDerWaalsContact C-N 3.31Å; D193-A195 PolarHBondContact O-N 2.74Å; D193-E196 PolarHBondContact O-N 3.21Å; D193-D197 PolarHBondContact O-N 3.38Å; D193-E201 VanDerWaalsContact C-CG 3.49Å; D193-E201 HydrophobicContact CB-CG 3.9Å; D193-E201 WeakPolarHBondContact O-CG 3.47Å; D193-R288 IonicContact OD1-CZ 3.08Å; D193-R288 IonicContact OD1-NE 2.75Å; D193-R288 IonicContact OD1-NH2 3.73Å; D193-R288 PolarHBondContact OD1-NH2 3.25Å |
| 194 | I | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65 | -39.6 | 175.6 | -53.8 | 168.9 | 0 | 0 | 0 | 109.9 | W48 I52 V125 M189 F190 Y191 T198 E201 | W48-I194 HydrophobicContact CD2-CG2 3.81Å; W48-I194 HydrophobicContact CE3-CB 4.31Å; W48-I194 HydrophobicContact CE3-CG2 3.78Å; W48-I194 HydrophobicContact CH2-CB 4.2Å; W48-I194 HydrophobicContact CH2-CG2 3.61Å; W48-I194 HydrophobicContact CZ2-CG2 3.58Å; W48-I194 HydrophobicContact CZ3-CB 4Å; W48-I194 HydrophobicContact CZ3-CG2 3.68Å; I52-I194 HydrophobicContact CD1-CG2 4.43Å; V125-I194 HydrophobicContact CG1-CD1 4.04Å; M189-I194 HydrophobicContact CE-CD1 4.21Å; M189-I194 HydrophobicContact CE-CG1 4.18Å; F190-I194 WeakPolarHBondContact O-CG1 3.38Å; F190-I194 PolarHBondContact O-N 3.21Å; Y191-I194 PolarHBondContact O-N 3.3Å; I194-T198 HydrophobicContact CG2-CG2 4.37Å; I194-T198 WeakPolarHBondContact O-CA 3.5Å; I194-T198 PolarHBondContact O-N 2.73Å; I194-T198 PolarHBondContact O-OG1 2.92Å; I194-E201 HydrophobicContact CB-CG 4.43Å; I194-E201 HydrophobicContact CG1-CB 4.06Å; I194-E201 HydrophobicContact CG1-CG 4.02Å |
| 195 | A | 98.3 | Very high | 98.5 | Very high | 32 Ų | 32 | 36.5 Ų | 36.5 | 26% | 0.264 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -70.9 | -33.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | W48 Y191 E192 D193 V257 I291 | W48-A195 HydrophobicContact CH2-CB 4.2Å; W48-A195 HydrophobicContact CZ3-CB 4.29Å; Y191-A195 HydrophobicContact CE1-CB 4.42Å; Y191-A195 WeakPolarHBondContact O-CB 3.49Å; Y191-A195 PolarHBondContact O-N 3.04Å; E192-A195 PolarHBondContact O-N 3.02Å; D193-A195 VanDerWaalsContact C-N 3.31Å; D193-A195 PolarHBondContact O-N 2.74Å; A195-V257 HydrophobicContact CB-CG2 3.85Å; A195-I291 HydrophobicContact CB-CD1 3.84Å |
| 196 | E | 98.4 | Very high | 98.5 | Very high | 90 Ų | 90 | 33 Ų | 33 | 42% | 0.421 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -75 | -43.6 | 176.3 | 179.1 | -177.1 | -116.8 | 0 | 0 | 112.1 | E192 D193 R200 R288 I291 | E192-E196 WeakPolarHBondContact O-CB 3.25Å; E192-E196 PolarHBondContact O-N 2.71Å; D193-E196 PolarHBondContact O-N 3.21Å; E196-R200 IonicContact OE2-CZ 2.67Å; E196-R200 IonicContact OE2-NH1 2.62Å; E196-R200 IonicContact OE2-NH2 3.73Å; E196-R200 PolarHBondContact OE2-NH2 3.22Å; E196-R288 IonicContact OE1-CZ 3.86Å; E196-R288 IonicContact OE1-NH1 3.59Å; E196-R288 PolarHBondContact OE1-NH1 2.97Å; E196-R288 IonicContact OE1-NH2 2.93Å; E196-R288 IonicContact OE2-CZ 3.99Å; E196-R288 IonicContact OE2-NH1 3.88Å; E196-R288 PolarHBondContact OE2-NH1 2.96Å; E196-R288 IonicContact OE2-NH2 3.64Å; E196-R288 PolarHBondContact OE2-NH2 2.84Å; E196-I291 HydrophobicContact CB-CD1 4.42Å; E196-I291 HydrophobicContact CB-CG2 4.41Å |
| 197 | D | 98.2 | Very high | 98.5 | Very high | 57 Ų | 57 | 37.2 Ų | 37.2 | 31% | 0.305 | 19% | 0.191 | S | C | . | . | trans | -151.7 | 81.2 | -172.1 | -170.7 | -15.7 | 0 | 0 | 0 | 110.7 | D193 E199 R200 E201 | D193-D197 PolarHBondContact O-N 3.38Å; D197-E199 VanDerWaalsContact C-N 3.3Å; D197-E199 PolarHBondContact O-N 3.25Å; D197-R200 HydrophobicContact CB-CB 4.04Å; D197-R200 PolarHBondContact O-N 3.19Å; D197-R200 VanDerWaalsContact OD1-CB 3.26Å; D197-R200 WeakPolarHBondContact OD1-CB 3.24Å; D197-R200 PolarHBondContact OD1-N 3.47Å; D197-R200 VanDerWaalsContact OD2-CB 3.28Å; D197-R200 WeakPolarHBondContact OD2-CB 3.3Å; D197-R200 IonicContact OD2-CZ 3.58Å; D197-R200 IonicContact OD2-NE 3.35Å; D197-R200 IonicContact OD2-NH1 3.56Å; D197-R200 PolarHBondContact OD2-NH1 3.44Å; D197-R200 VanDerWaalsContact OD2-NH1 3.08Å; D197-E201 PolarHBondContact O-N 3.11Å | ||
| 198 | T | 98.1 | Very high | 98.5 | Very high | 28 Ų | 28 | 37.7 Ų | 37.7 | 17% | 0.172 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.7 | -36.6 | -176.1 | -56.5 | 0 | 0 | 0 | 0 | 112.5 | W48 I194 E201 I202 V225 | W48-T198 HydrophobicContact CZ2-CG2 4.48Å; I194-T198 HydrophobicContact CG2-CG2 4.37Å; I194-T198 WeakPolarHBondContact O-CA 3.5Å; I194-T198 PolarHBondContact O-N 2.73Å; I194-T198 PolarHBondContact O-OG1 2.92Å; T198-E201 PolarHBondContact O-N 2.94Å; T198-I202 HydrophobicContact CG2-CD1 3.86Å; T198-I202 HydrophobicContact CG2-CG1 4.46Å; T198-I202 VanDerWaalsContact O-CG1 3.29Å; T198-I202 WeakPolarHBondContact O-CG1 3.27Å; T198-I202 PolarHBondContact O-N 3.03Å; T198-V225 HydrophobicContact CG2-CG2 3.85Å |
| 199 | E | 97.9 | Very high | 98.4 | Very high | 101 Ų | 101 | 36.9 Ų | 36.9 | 47% | 0.472 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65.9 | -45.9 | -179.7 | -171.7 | 175.3 | 175.8 | 0 | 0 | 111.3 | D197 E201 I202 D203 K218 V222 | D197-E199 VanDerWaalsContact C-N 3.3Å; D197-E199 PolarHBondContact O-N 3.25Å; E199-E201 VanDerWaalsContact C-N 3.33Å; E199-E201 PolarHBondContact O-N 3.37Å; E199-I202 WeakPolarHBondContact O-CB 3.46Å; E199-I202 PolarHBondContact O-N 2.85Å; E199-D203 PolarHBondContact O-N 3.29Å; E199-K218 HydrophobicContact CG-CD 3.73Å; E199-K218 HydrophobicContact CG-CG 4.44Å; E199-V222 HydrophobicContact CB-CG2 4.07Å; E199-V222 HydrophobicContact CG-CG2 4.36Å |
| 200 | R | 98.3 | Very high | 98.4 | Very high | 81 Ų | 81 | 39.9 Ų | 39.9 | 31% | 0.306 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.3 | -42.3 | 175.5 | 179.2 | -175.4 | 72.2 | -150.6 | 8.7 | 112.6 | E196 D197 I202 D203 K204 | E196-R200 IonicContact OE2-CZ 2.67Å; E196-R200 IonicContact OE2-NH1 2.62Å; E196-R200 IonicContact OE2-NH2 3.73Å; E196-R200 PolarHBondContact OE2-NH2 3.22Å; D197-R200 HydrophobicContact CB-CB 4.04Å; D197-R200 PolarHBondContact O-N 3.19Å; D197-R200 VanDerWaalsContact OD1-CB 3.26Å; D197-R200 WeakPolarHBondContact OD1-CB 3.24Å; D197-R200 PolarHBondContact OD1-N 3.47Å; D197-R200 VanDerWaalsContact OD2-CB 3.28Å; D197-R200 WeakPolarHBondContact OD2-CB 3.3Å; D197-R200 IonicContact OD2-CZ 3.58Å; D197-R200 IonicContact OD2-NE 3.35Å; D197-R200 IonicContact OD2-NH1 3.56Å; D197-R200 PolarHBondContact OD2-NH1 3.44Å; D197-R200 VanDerWaalsContact OD2-NH1 3.08Å; R200-I202 VanDerWaalsContact C-N 3.35Å; R200-D203 PolarHBondContact O-N 2.89Å; R200-K204 WeakPolarHBondContact O-CG 3.35Å; R200-K204 PolarHBondContact O-N 3.4Å; R200-K204 VanDerWaalsContact O-N 3.08Å |
| 201 | E | 98.6 | Very high | 98.3 | Very high | 5 Ų | 5 | 40.5 Ų | 40.5 | 2% | 0.023 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -70.4 | -32.4 | 178.8 | -63 | -45.3 | 118.6 | 0 | 0 | 112.3 | M189 D193 I194 D197 T198 E199 D203 K204 L205 | M189-E201 HydrophobicContact CE-CB 3.86Å; D193-E201 VanDerWaalsContact C-CG 3.49Å; D193-E201 HydrophobicContact CB-CG 3.9Å; D193-E201 WeakPolarHBondContact O-CG 3.47Å; I194-E201 HydrophobicContact CB-CG 4.43Å; I194-E201 HydrophobicContact CG1-CB 4.06Å; I194-E201 HydrophobicContact CG1-CG 4.02Å; D197-E201 PolarHBondContact O-N 3.11Å; T198-E201 PolarHBondContact O-N 2.94Å; E199-E201 VanDerWaalsContact C-N 3.33Å; E199-E201 PolarHBondContact O-N 3.37Å; E201-D203 VanDerWaalsContact C-N 3.31Å; E201-K204 WeakPolarHBondContact OE1-CE 3.34Å; E201-K204 IonicContact OE1-NZ 2.69Å; E201-K204 PolarHBondContact OE1-NZ 2.95Å; E201-K204 WeakPolarHBondContact OE2-CD 3.39Å; E201-K204 IonicContact OE2-NZ 3.3Å; E201-K204 PolarHBondContact OE2-NZ 3.21Å; E201-L205 WeakPolarHBondContact O-CB 3.02Å; E201-L205 PolarHBondContact O-N 3.12Å |
| 202 | I | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.7 | -39.3 | 169.5 | -72.2 | 165 | 0 | 0 | 0 | 110.8 | I52 L56 T198 E199 R200 L205 C206 K218 I221 V222 | I52-I202 HydrophobicContact CD1-CG1 4.45Å; I52-I202 HydrophobicContact CG2-CG1 3.89Å; L56-I202 HydrophobicContact CD2-CG2 4.34Å; T198-I202 HydrophobicContact CG2-CD1 3.86Å; T198-I202 HydrophobicContact CG2-CG1 4.46Å; T198-I202 VanDerWaalsContact O-CG1 3.29Å; T198-I202 WeakPolarHBondContact O-CG1 3.27Å; T198-I202 PolarHBondContact O-N 3.03Å; E199-I202 WeakPolarHBondContact O-CB 3.46Å; E199-I202 PolarHBondContact O-N 2.85Å; R200-I202 VanDerWaalsContact C-N 3.35Å; I202-L205 WeakPolarHBondContact O-CB 3.2Å; I202-L205 PolarHBondContact O-N 3.14Å; I202-C206 WeakPolarHBondContact O-CB 3.44Å; I202-C206 PolarHBondContact O-N 2.94Å; I202-C206 PolarHBondContact O-SG 2.84Å; I202-K218 HydrophobicContact CG2-CG 4.13Å; I202-I221 HydrophobicContact CD1-CG2 3.85Å; I202-V222 HydrophobicContact CD1-CG2 3.71Å |
| 203 | D | 98.4 | Very high | 98.1 | Very high | 59 Ų | 59 | 47.2 Ų | 47.2 | 32% | 0.316 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.5 | -41.7 | 178.6 | -80 | -17.3 | 0 | 0 | 0 | 113.5 | E199 R200 E201 L205 C206 S207 K218 | E199-D203 PolarHBondContact O-N 3.29Å; R200-D203 PolarHBondContact O-N 2.89Å; E201-D203 VanDerWaalsContact C-N 3.31Å; D203-L205 VanDerWaalsContact C-N 3.29Å; D203-L205 PolarHBondContact O-N 3.43Å; D203-C206 PolarHBondContact O-N 3.41Å; D203-S207 WeakPolarHBondContact O-CB 3.3Å; D203-S207 PolarHBondContact O-N 3.1Å; D203-S207 PolarHBondContact O-OG 2.91Å; D203-K218 VanDerWaalsContact CG-NZ 3.26Å; D203-K218 WeakPolarHBondContact OD1-CE 3.43Å; D203-K218 IonicContact OD1-NZ 3.48Å; D203-K218 PolarHBondContact OD1-NZ 2.89Å; D203-K218 IonicContact OD2-NZ 2.89Å; D203-K218 PolarHBondContact OD2-NZ 2.8Å; D203-K218 VanDerWaalsContact OD2-NZ 3.14Å |
| 204 | K | 98.6 | Very high | 97.9 | Very high | 83 Ų | 83 | 48.3 Ų | 48.3 | 36% | 0.361 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.8 | -42.5 | 172 | -69.4 | 173.3 | -175.9 | 169.9 | 0 | 111.1 | R200 E201 S207 F208 | R200-K204 WeakPolarHBondContact O-CG 3.35Å; R200-K204 PolarHBondContact O-N 3.4Å; R200-K204 VanDerWaalsContact O-N 3.08Å; E201-K204 WeakPolarHBondContact OE1-CE 3.34Å; E201-K204 IonicContact OE1-NZ 2.69Å; E201-K204 PolarHBondContact OE1-NZ 2.95Å; E201-K204 WeakPolarHBondContact OE2-CD 3.39Å; E201-K204 IonicContact OE2-NZ 3.3Å; E201-K204 PolarHBondContact OE2-NZ 3.21Å; K204-S207 PolarHBondContact O-N 3.12Å; K204-F208 WeakPolarHBondContact O-CB 3.39Å; K204-F208 PolarHBondContact O-N 3.34Å |
| 205 | L | 98.3 | Very high | 97.7 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 178.5 | -170.6 | 62.2 | 0 | 0 | 0 | 111.6 | V49 I52 L53 L56 V123 M189 E201 I202 D203 S207 F208 L209 | V49-L205 HydrophobicContact CG2-CD2 4.5Å; I52-L205 HydrophobicContact CG2-CD2 3.77Å; L53-L205 HydrophobicContact CD2-CD1 4.24Å; L53-L205 HydrophobicContact CD2-CD2 3.75Å; L53-L205 HydrophobicContact CD2-CG 4.15Å; L53-L205 HydrophobicContact CG-CD2 4.1Å; L56-L205 HydrophobicContact CD1-CD2 4.05Å; L56-L205 HydrophobicContact CD1-CG 4.46Å; V123-L205 HydrophobicContact CG1-CD1 4.13Å; V123-L205 HydrophobicContact CG2-CD1 3.83Å; M189-L205 HydrophobicContact SD-CD1 4.2Å; E201-L205 WeakPolarHBondContact O-CB 3.02Å; E201-L205 PolarHBondContact O-N 3.12Å; I202-L205 WeakPolarHBondContact O-CB 3.2Å; I202-L205 PolarHBondContact O-N 3.14Å; D203-L205 VanDerWaalsContact C-N 3.29Å; D203-L205 PolarHBondContact O-N 3.43Å; L205-S207 VanDerWaalsContact C-N 3.35Å; L205-S207 PolarHBondContact O-N 3.2Å; L205-F208 HydrophobicContact CD1-CD1 4.47Å; L205-F208 PolarHBondContact O-N 3.37Å; L205-L209 HydrophobicContact CD1-CD1 4.05Å; L205-L209 HydrophobicContact CD1-CG 4.39Å; L205-L209 HydrophobicContact CG-CD1 3.79Å; L205-L209 HydrophobicContact CG-CG 4.49Å; L205-L209 WeakPolarHBondContact O-CB 3.38Å; L205-L209 WeakPolarHBondContact O-CG 3.35Å; L205-L209 PolarHBondContact O-N 3.27Å |
| 206 | C | 98.5 | Very high | 97.5 | Very high | 5 Ų | 5 | 56.1 Ų | 56.1 | 3% | 0.034 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 174.9 | -69.4 | 0 | 0 | 0 | 0 | 111.5 | L56 I202 D203 F208 L209 G210 L211 | L56-C206 VanDerWaalsContact CD2-SG 3.55Å; I202-C206 WeakPolarHBondContact O-CB 3.44Å; I202-C206 PolarHBondContact O-N 2.94Å; I202-C206 PolarHBondContact O-SG 2.84Å; D203-C206 PolarHBondContact O-N 3.41Å; C206-F208 VanDerWaalsContact C-N 3.33Å; C206-F208 PolarHBondContact O-N 3.12Å; C206-L209 CarbonylContact O-C 3.3Å; C206-L209 PolarHBondContact O-N 2.91Å; C206-G210 PolarHBondContact O-N 3.02Å; C206-L211 HydrophobicContact CB-CB 4.31Å; C206-L211 PolarHBondContact O-N 2.9Å |
| 207 | S | 98.4 | Very high | 97.3 | Very high | 99 Ų | 99 | 53.5 Ų | 53.5 | 69% | 0.692 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -59.4 | -43.8 | 176.7 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | D203 K204 L205 G210 | D203-S207 WeakPolarHBondContact O-CB 3.3Å; D203-S207 PolarHBondContact O-N 3.1Å; D203-S207 PolarHBondContact O-OG 2.91Å; K204-S207 PolarHBondContact O-N 3.12Å; L205-S207 VanDerWaalsContact C-N 3.35Å; L205-S207 PolarHBondContact O-N 3.2Å; S207-G210 PolarHBondContact O-N 3.16Å |
| 208 | F | 98.5 | Very high | 97.2 | Very high | 47 Ų | 47 | 52.5 Ų | 52.5 | 21% | 0.206 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.3 | -38.1 | 176 | 170.1 | -108.1 | 0 | 0 | 0 | 113 | R121 V123 K185 H187 K204 L205 C206 | R121-F208 HydrophobicContact CB-CE1 4.26Å; R121-F208 HydrophobicContact CB-CZ 4.21Å; R121-F208 HydrophobicContact CG-CZ 4.26Å; V123-F208 HydrophobicContact CG2-CD1 4.5Å; V123-F208 HydrophobicContact CG2-CE1 4.08Å; K185-F208 WeakPolarHBondContact O-CZ 3.45Å; H187-F208 HydrophobicContact CB-CB 4.39Å; H187-F208 HydrophobicContact CB-CD1 3.54Å; H187-F208 HydrophobicContact CB-CD2 3.79Å; H187-F208 HydrophobicContact CB-CE1 3.62Å; H187-F208 HydrophobicContact CB-CE2 3.86Å; H187-F208 HydrophobicContact CB-CG 3.63Å; H187-F208 HydrophobicContact CB-CZ 3.78Å; H187-F208 AromaticContact CG-CG 3.94Å; K204-F208 WeakPolarHBondContact O-CB 3.39Å; K204-F208 PolarHBondContact O-N 3.34Å; L205-F208 HydrophobicContact CD1-CD1 4.47Å; L205-F208 PolarHBondContact O-N 3.37Å; C206-F208 VanDerWaalsContact C-N 3.33Å; C206-F208 PolarHBondContact O-N 3.12Å |
| 209 | L | 97.8 | Very high | 97.1 | Very high | 7 Ų | 7 | 57.2 Ų | 57.2 | 4% | 0.037 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -85.4 | -8.3 | -177.9 | -64.2 | 170.3 | 0 | 0 | 0 | 113.6 | I36 L53 Y57 R121 L205 C206 L211 | I36-L209 HydrophobicContact CD1-CD2 3.87Å; L53-L209 HydrophobicContact CD2-CD1 3.44Å; L53-L209 VanDerWaalsContact CD2-CD1 3.44Å; Y57-L209 HydrophobicContact CE2-CD1 4.03Å; R121-L209 PolarHBondContact NH1-O 3.14Å; L205-L209 HydrophobicContact CD1-CD1 4.05Å; L205-L209 HydrophobicContact CD1-CG 4.39Å; L205-L209 HydrophobicContact CG-CD1 3.79Å; L205-L209 HydrophobicContact CG-CG 4.49Å; L205-L209 WeakPolarHBondContact O-CB 3.38Å; L205-L209 WeakPolarHBondContact O-CG 3.35Å; L205-L209 PolarHBondContact O-N 3.27Å; C206-L209 CarbonylContact O-C 3.3Å; C206-L209 PolarHBondContact O-N 2.91Å; L209-L211 VanDerWaalsContact C-N 3.29Å; L209-L211 HydrophobicContact CB-CD1 3.93Å; L209-L211 HydrophobicContact CB-CG 3.8Å; L209-L211 HydrophobicContact CD1-CD1 3.92Å |
| 210 | G | 97.7 | Very high | 97.1 | Very high | 67 Ų | 67 | 55 Ų | 55 | 69% | 0.691 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 34.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | C206 S207 | C206-G210 PolarHBondContact O-N 3.02Å; S207-G210 PolarHBondContact O-N 3.16Å |
| 211 | L | 97.8 | Very high | 97 | Very high | 42 Ų | 42 | 51.4 Ų | 51.4 | 22% | 0.22 | 31% | 0.31 | C | S | . | . | trans | -99.8 | 152.6 | 177 | -61.5 | 177.9 | 0 | 0 | 0 | 110.5 | L56 Y57 C206 L209 | L56-L211 HydrophobicContact CB-CD1 3.98Å; Y57-L211 HydrophobicContact CD2-CD1 4.32Å; Y57-L211 HydrophobicContact CE1-CD1 4.29Å; Y57-L211 HydrophobicContact CE1-CD2 4Å; Y57-L211 HydrophobicContact CE2-CD1 3.9Å; C206-L211 HydrophobicContact CB-CB 4.31Å; C206-L211 PolarHBondContact O-N 2.9Å; L209-L211 VanDerWaalsContact C-N 3.29Å; L209-L211 HydrophobicContact CB-CD1 3.93Å; L209-L211 HydrophobicContact CB-CG 3.8Å; L209-L211 HydrophobicContact CD1-CD1 3.92Å | ||
| 212 | S | 96.2 | Very high | 97 | Very high | 119 Ų | 119 | 53.1 Ų | 53.1 | 83% | 0.832 | 32% | 0.321 | S | S | * | . | trans | -142.1 | 69.6 | 178.2 | -59.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 213 | P | 95.4 | Very high | 97 | Very high | 35 Ų | 35 | 58.9 Ų | 58.9 | 23% | 0.227 | 35% | 0.348 | C | S | . | . | trans | -62.5 | 154.8 | 176.7 | 29.4 | -35.8 | 0 | 0 | 0 | 110.6 | L56 D217 | L56-P213 HydrophobicContact CD2-CB 4.43Å; L56-P213 HydrophobicContact CD2-CG 3.98Å; P213-D217 HydrophobicContact CB-CB 4.01Å | ||
| 214 | S | 95.1 | Very high | 96.9 | Very high | 54 Ų | 54 | 58.5 Ų | 58.5 | 38% | 0.378 | 35% | 0.345 | S | S | . | . | trans | -65.2 | 162 | 173.7 | 92.7 | 0 | 0 | 0 | 0 | 110.9 | E216 D217 K218 | S214-E216 PolarHBondContact O-N 3.32Å; S214-E216 PolarHBondContact OG-N 3.39Å; S214-D217 WeakPolarHBondContact CB-OD2 3.27Å; S214-D217 PolarHBondContact N-OD2 2.95Å; S214-D217 WeakPolarHBondContact O-CB 3.18Å; S214-D217 PolarHBondContact O-N 3.5Å; S214-D217 PolarHBondContact OG-N 2.95Å; S214-D217 PolarHBondContact OG-OD1 3.2Å; S214-D217 PolarHBondContact OG-OD2 2.74Å; S214-K218 PolarHBondContact O-N 2.83Å | ||
| 215 | A | 95.2 | Very high | 96.9 | Very high | 84 Ų | 84 | 54.6 Ų | 54.6 | 69% | 0.694 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -61.3 | -35.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | K219 | A215-K219 WeakPolarHBondContact O-CB 3.35Å; A215-K219 PolarHBondContact O-N 2.69Å |
| 216 | E | 94.7 | Very high | 96.9 | Very high | 114 Ų | 114 | 59.4 Ų | 59.4 | 53% | 0.533 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -70.6 | -40.1 | 177.5 | -168.7 | 60.6 | -149.6 | 0 | 0 | 111.2 | S214 K218 K219 T220 | S214-E216 PolarHBondContact O-N 3.32Å; S214-E216 PolarHBondContact OG-N 3.39Å; E216-K218 VanDerWaalsContact C-N 3.35Å; E216-K219 PolarHBondContact O-N 2.91Å; E216-T220 WeakPolarHBondContact O-CB 3.37Å; E216-T220 PolarHBondContact O-N 2.82Å; E216-T220 PolarHBondContact O-OG1 3.15Å |
| 217 | D | 93.7 | Very high | 96.8 | Very high | 35 Ų | 35 | 60.9 Ų | 60.9 | 19% | 0.187 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.8 | -48.2 | 175.6 | -57.5 | -4.6 | 0 | 0 | 0 | 109.4 | H60 P213 S214 K219 T220 I221 | H60-D217 IonicContact CD2-OD2 3.18Å; H60-D217 IonicContact CE1-OD1 2.68Å; H60-D217 PolarHBondContact CE1-OD1 3.28Å; H60-D217 IonicContact CE1-OD2 3.7Å; H60-D217 IonicContact ND1-OD1 3.49Å; H60-D217 WeakPolarHBondContact NE2-CB 3.34Å; H60-D217 IonicContact NE2-OD1 2.81Å; H60-D217 PolarHBondContact NE2-OD1 3.45Å; H60-D217 IonicContact NE2-OD2 3.23Å; H60-D217 PolarHBondContact NE2-OD2 3.27Å; P213-D217 HydrophobicContact CB-CB 4.01Å; S214-D217 WeakPolarHBondContact CB-OD2 3.27Å; S214-D217 PolarHBondContact N-OD2 2.95Å; S214-D217 WeakPolarHBondContact O-CB 3.18Å; S214-D217 PolarHBondContact O-N 3.5Å; S214-D217 PolarHBondContact OG-N 2.95Å; S214-D217 PolarHBondContact OG-OD1 3.2Å; S214-D217 PolarHBondContact OG-OD2 2.74Å; D217-K219 PolarHBondContact O-N 3.47Å; D217-T220 WeakPolarHBondContact O-CB 3.45Å; D217-T220 PolarHBondContact O-N 2.91Å; D217-I221 WeakPolarHBondContact O-CG1 3.32Å; D217-I221 PolarHBondContact O-N 3.26Å |
| 218 | K | 95.8 | Very high | 96.8 | Very high | 35 Ų | 35 | 60.1 Ų | 60.1 | 15% | 0.152 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.3 | -46.5 | 179.2 | -166.9 | -169.3 | -54.6 | 177.1 | 0 | 111.7 | E199 I202 D203 S214 E216 T220 I221 V222 | E199-K218 HydrophobicContact CG-CD 3.73Å; E199-K218 HydrophobicContact CG-CG 4.44Å; I202-K218 HydrophobicContact CG2-CG 4.13Å; D203-K218 VanDerWaalsContact CG-NZ 3.26Å; D203-K218 WeakPolarHBondContact OD1-CE 3.43Å; D203-K218 IonicContact OD1-NZ 3.48Å; D203-K218 PolarHBondContact OD1-NZ 2.89Å; D203-K218 IonicContact OD2-NZ 2.89Å; D203-K218 PolarHBondContact OD2-NZ 2.8Å; D203-K218 VanDerWaalsContact OD2-NZ 3.14Å; S214-K218 PolarHBondContact O-N 2.83Å; E216-K218 VanDerWaalsContact C-N 3.35Å; K218-T220 VanDerWaalsContact C-N 3.32Å; K218-T220 PolarHBondContact O-N 3.44Å; K218-I221 PolarHBondContact O-N 2.97Å; K218-V222 WeakPolarHBondContact O-CG2 3.31Å; K218-V222 PolarHBondContact O-N 2.84Å |
| 219 | K | 96.4 | Very high | 96.8 | Very high | 128 Ų | 128 | 61.1 Ų | 61.1 | 56% | 0.557 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -57.6 | -45.9 | 175.3 | -178 | -175.9 | 172.6 | -163.5 | 0 | 111.4 | A215 E216 D217 I221 V222 E223 | A215-K219 WeakPolarHBondContact O-CB 3.35Å; A215-K219 PolarHBondContact O-N 2.69Å; E216-K219 PolarHBondContact O-N 2.91Å; D217-K219 PolarHBondContact O-N 3.47Å; K219-I221 VanDerWaalsContact C-N 3.34Å; K219-I221 PolarHBondContact O-N 3.24Å; K219-V222 PolarHBondContact O-N 2.9Å; K219-E223 PolarHBondContact O-N 2.86Å |
| 220 | T | 96.3 | Very high | 96.8 | Very high | 54 Ų | 54 | 61 Ų | 61 | 33% | 0.331 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.3 | -44.9 | 175.7 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | E216 D217 K218 E223 L224 | E216-T220 WeakPolarHBondContact O-CB 3.37Å; E216-T220 PolarHBondContact O-N 2.82Å; E216-T220 PolarHBondContact O-OG1 3.15Å; D217-T220 WeakPolarHBondContact O-CB 3.45Å; D217-T220 PolarHBondContact O-N 2.91Å; K218-T220 VanDerWaalsContact C-N 3.32Å; K218-T220 PolarHBondContact O-N 3.44Å; T220-E223 PolarHBondContact O-N 3.21Å; T220-L224 HydrophobicContact CG2-CD1 3.88Å; T220-L224 HydrophobicContact CG2-CG 4.32Å; T220-L224 WeakPolarHBondContact O-CB 3.49Å; T220-L224 VanDerWaalsContact O-CG 3.31Å; T220-L224 WeakPolarHBondContact O-CG 3.26Å; T220-L224 PolarHBondContact O-N 3.36Å |
| 221 | I | 97.9 | Very high | 96.8 | Very high | 5 Ų | 5 | 61.4 Ų | 61.4 | 3% | 0.026 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.2 | -50.4 | 178.2 | -68.2 | 170.1 | 0 | 0 | 0 | 110.3 | L55 L56 I202 D217 K218 K219 E223 L224 V225 | L55-I221 HydrophobicContact CB-CD1 4.26Å; L55-I221 HydrophobicContact CB-CG1 3.9Å; L55-I221 HydrophobicContact CB-CG2 4.38Å; L55-I221 HydrophobicContact CD1-CG1 4.42Å; L55-I221 HydrophobicContact CD1-CG2 4.18Å; L56-I221 HydrophobicContact CD2-CD1 3.63Å; L56-I221 HydrophobicContact CG-CD1 4.07Å; I202-I221 HydrophobicContact CD1-CG2 3.85Å; D217-I221 WeakPolarHBondContact O-CG1 3.32Å; D217-I221 PolarHBondContact O-N 3.26Å; K218-I221 PolarHBondContact O-N 2.97Å; K219-I221 VanDerWaalsContact C-N 3.34Å; K219-I221 PolarHBondContact O-N 3.24Å; I221-E223 VanDerWaalsContact C-N 3.26Å; I221-E223 PolarHBondContact O-N 2.78Å; I221-L224 PolarHBondContact O-N 2.92Å; I221-L224 VanDerWaalsContact O-N 3.16Å; I221-V225 HydrophobicContact CG2-CG1 4.18Å; I221-V225 WeakPolarHBondContact O-CG1 3.34Å; I221-V225 VanDerWaalsContact O-CG2 3.23Å; I221-V225 WeakPolarHBondContact O-CG2 3.44Å; I221-V225 PolarHBondContact O-N 3.4Å |
| 222 | V | 97.9 | Very high | 96.7 | Very high | 42 Ų | 42 | 65.5 Ų | 65.5 | 26% | 0.255 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -54.4 | -44.3 | 178.4 | 170 | 0 | 0 | 0 | 0 | 111 | E199 I202 K218 K219 H226 | E199-V222 HydrophobicContact CB-CG2 4.07Å; E199-V222 HydrophobicContact CG-CG2 4.36Å; I202-V222 HydrophobicContact CD1-CG2 3.71Å; K218-V222 WeakPolarHBondContact O-CG2 3.31Å; K218-V222 PolarHBondContact O-N 2.84Å; K219-V222 PolarHBondContact O-N 2.9Å; V222-H226 PolarHBondContact O-N 2.88Å |
| 223 | E | 97.9 | Very high | 96.8 | Very high | 122 Ų | 122 | 61.6 Ų | 61.6 | 57% | 0.57 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -63.1 | -52 | 175.9 | -176.1 | 174.4 | -177.5 | 0 | 0 | 111.7 | K219 T220 I221 V225 H226 N229 | K219-E223 PolarHBondContact O-N 2.86Å; T220-E223 PolarHBondContact O-N 3.21Å; I221-E223 VanDerWaalsContact C-N 3.26Å; I221-E223 PolarHBondContact O-N 2.78Å; E223-V225 VanDerWaalsContact C-N 3.29Å; E223-V225 PolarHBondContact O-N 3.14Å; E223-H226 VanDerWaalsContact O-CB 3.22Å; E223-H226 WeakPolarHBondContact O-CB 3.4Å; E223-H226 PolarHBondContact O-N 2.85Å; E223-H226 VanDerWaalsContact O-N 3.13Å; E223-N229 PolarHBondContact O-ND2 3.02Å |
| 224 | L | 97.6 | Very high | 96.8 | Very high | 50 Ų | 50 | 65.4 Ų | 65.4 | 26% | 0.262 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62 | -35.4 | -177.5 | -71.8 | 174 | 0 | 0 | 0 | 113.2 | Y51 L55 T220 I221 H226 | Y51-L224 HydrophobicContact CE1-CB 4.25Å; L55-L224 HydrophobicContact CD1-CB 3.88Å; L55-L224 HydrophobicContact CD1-CD1 4.08Å; L55-L224 HydrophobicContact CD2-CD1 3.89Å; T220-L224 HydrophobicContact CG2-CD1 3.88Å; T220-L224 HydrophobicContact CG2-CG 4.32Å; T220-L224 WeakPolarHBondContact O-CB 3.49Å; T220-L224 VanDerWaalsContact O-CG 3.31Å; T220-L224 WeakPolarHBondContact O-CG 3.26Å; T220-L224 PolarHBondContact O-N 3.36Å; I221-L224 PolarHBondContact O-N 2.92Å; I221-L224 VanDerWaalsContact O-N 3.16Å; L224-H226 VanDerWaalsContact C-N 3.3Å |
| 225 | V | 98.2 | Very high | 97 | Very high | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -0.2 | -179 | -54.9 | 0 | 0 | 0 | 0 | 113.1 | W48 Y51 I52 L55 T198 I221 E223 M230 | W48-V225 PolarHBondContact NE1-O 2.84Å; Y51-V225 HydrophobicContact CD1-CG1 3.81Å; Y51-V225 HydrophobicContact CE1-CG1 4.31Å; Y51-V225 HydrophobicContact CG-CG1 4.4Å; I52-V225 HydrophobicContact CD1-CG2 4.38Å; I52-V225 HydrophobicContact CG1-CB 4.01Å; I52-V225 HydrophobicContact CG1-CG1 3.67Å; I52-V225 HydrophobicContact CG1-CG2 3.95Å; L55-V225 HydrophobicContact CD1-CG1 3.6Å; T198-V225 HydrophobicContact CG2-CG2 3.85Å; I221-V225 HydrophobicContact CG2-CG1 4.18Å; I221-V225 WeakPolarHBondContact O-CG1 3.34Å; I221-V225 VanDerWaalsContact O-CG2 3.23Å; I221-V225 WeakPolarHBondContact O-CG2 3.44Å; I221-V225 PolarHBondContact O-N 3.4Å; E223-V225 VanDerWaalsContact C-N 3.29Å; E223-V225 PolarHBondContact O-N 3.14Å; V225-M230 HydrophobicContact CB-SD 4.36Å |
| 226 | H | 97.6 | Very high | 97.1 | Very high | 102 Ų | 102 | 59.2 Ų | 59.2 | 47% | 0.472 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -58.9 | 140.8 | 171.4 | -172.9 | -96.7 | 0 | 0 | 0 | 110.3 | V222 E223 L224 D228 N229 M230 | V222-H226 PolarHBondContact O-N 2.88Å; E223-H226 VanDerWaalsContact O-CB 3.22Å; E223-H226 WeakPolarHBondContact O-CB 3.4Å; E223-H226 PolarHBondContact O-N 2.85Å; E223-H226 VanDerWaalsContact O-N 3.13Å; L224-H226 VanDerWaalsContact C-N 3.3Å; H226-D228 VanDerWaalsContact C-N 3.34Å; H226-D228 IonicContact CE1-OD2 3.47Å; H226-D228 PolarHBondContact O-N 3.11Å; H226-N229 HydrophobicContact CB-CB 4.5Å; H226-N229 WeakPolarHBondContact O-CB 3.06Å; H226-N229 PolarHBondContact O-N 3.29Å; H226-M230 PolarHBondContact O-N 2.85Å |
| 227 | F | 97.3 | Very high | 97.1 | Very high | 37 Ų | 37 | 55 Ų | 55 | 16% | 0.162 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -54.3 | -46.6 | -169.5 | 176 | -98.7 | 0 | 0 | 0 | 113.3 | N229 M230 K231 L252 K254 G255 | F227-N229 VanDerWaalsContact C-N 3.32Å; F227-N229 PolarHBondContact O-N 3.39Å; F227-M230 PolarHBondContact O-N 3.45Å; F227-K231 HydrophobicContact CE1-CD 3.88Å; F227-K231 HydrophobicContact CZ-CD 4.21Å; F227-K231 VanDerWaalsContact O-CB 3.27Å; F227-K231 WeakPolarHBondContact O-CB 3.16Å; F227-K231 PolarHBondContact O-N 3.43Å; F227-L252 HydrophobicContact CD2-CD2 4.5Å; F227-L252 HydrophobicContact CE2-CB 3.85Å; F227-L252 HydrophobicContact CE2-CD2 4.09Å; F227-L252 HydrophobicContact CZ-CB 4.04Å; F227-L252 WeakPolarHBondContact CZ-O 3.37Å; F227-K254 VanDerWaalsContact CZ-C 3.44Å; F227-G255 VanDerWaalsContact CD2-CA 3.44Å |
| 228 | D | 97.6 | Very high | 97.2 | Very high | 83 Ų | 83 | 53.6 Ų | 53.6 | 44% | 0.444 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67 | -34 | -178.8 | -68.3 | -39.1 | 0 | 0 | 0 | 112.3 | H226 K231 N232 | H226-D228 VanDerWaalsContact C-N 3.34Å; H226-D228 IonicContact CE1-OD2 3.47Å; H226-D228 PolarHBondContact O-N 3.11Å; D228-K231 PolarHBondContact O-N 2.93Å; D228-N232 VanDerWaalsContact O-CG 3.31Å; D228-N232 PolarHBondContact O-N 3.37Å; D228-N232 PolarHBondContact O-ND2 3.34Å |
| 229 | N | 97.9 | Very high | 97.2 | Very high | 67 Ų | 67 | 54.1 Ų | 54.1 | 36% | 0.358 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -69.1 | -45.1 | 176.8 | -71.3 | -16.8 | 0 | 0 | 0 | 110.8 | E223 H226 F227 K231 N232 N233 | E223-N229 PolarHBondContact O-ND2 3.02Å; H226-N229 HydrophobicContact CB-CB 4.5Å; H226-N229 WeakPolarHBondContact O-CB 3.06Å; H226-N229 PolarHBondContact O-N 3.29Å; F227-N229 VanDerWaalsContact C-N 3.32Å; F227-N229 PolarHBondContact O-N 3.39Å; N229-K231 VanDerWaalsContact C-N 3.32Å; N229-K231 PolarHBondContact O-N 3.21Å; N229-N232 PolarHBondContact O-N 3.03Å; N229-N233 WeakPolarHBondContact O-CB 3.26Å; N229-N233 PolarHBondContact O-N 3.07Å |
| 230 | M | 98.3 | Very high | 97 | Very high | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.025 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.8 | -40.3 | 172.6 | -66 | -170.9 | 65.5 | 0 | 0 | 112 | T47 W48 Y51 V225 H226 F227 N232 N233 T236 L252 | T47-M230 HydrophobicContact CG2-CE 3.9Å; W48-M230 HydrophobicContact CG-SD 4.35Å; Y51-M230 HydrophobicContact CD1-CE 3.85Å; Y51-M230 HydrophobicContact CD1-CG 3.9Å; Y51-M230 HydrophobicContact CD1-SD 3.98Å; Y51-M230 HydrophobicContact CE1-CG 4.21Å; Y51-M230 HydrophobicContact CG-CE 4.26Å; V225-M230 HydrophobicContact CB-SD 4.36Å; H226-M230 PolarHBondContact O-N 2.85Å; F227-M230 PolarHBondContact O-N 3.45Å; M230-N232 VanDerWaalsContact C-N 3.28Å; M230-N232 PolarHBondContact O-N 2.89Å; M230-N233 PolarHBondContact O-N 2.99Å; M230-N233 VanDerWaalsContact O-N 3.14Å; M230-T236 WeakPolarHBondContact CA-OG1 3.01Å; M230-T236 HydrophobicContact CE-CG2 4.43Å; M230-T236 PolarHBondContact O-OG1 3.34Å; M230-L252 HydrophobicContact CB-CD1 3.72Å; M230-L252 WeakPolarHBondContact O-CD1 3.46Å |
| 231 | K | 97.6 | Very high | 96.9 | Very high | 76 Ų | 76 | 50.7 Ų | 50.7 | 33% | 0.33 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.6 | -38.8 | 179.6 | -175 | 174.4 | 177.7 | 179.9 | 0 | 112.1 | F227 D228 N229 N237 L252 | F227-K231 HydrophobicContact CE1-CD 3.88Å; F227-K231 HydrophobicContact CZ-CD 4.21Å; F227-K231 VanDerWaalsContact O-CB 3.27Å; F227-K231 WeakPolarHBondContact O-CB 3.16Å; F227-K231 PolarHBondContact O-N 3.43Å; D228-K231 PolarHBondContact O-N 2.93Å; N229-K231 VanDerWaalsContact C-N 3.32Å; N229-K231 PolarHBondContact O-N 3.21Å; K231-N237 WeakPolarHBondContact O-CB 3.43Å; K231-N237 PolarHBondContact O-ND2 3.19Å; K231-L252 VanDerWaalsContact CA-CD1 3.46Å; K231-L252 HydrophobicContact CB-CB 4.12Å; K231-L252 HydrophobicContact CB-CD1 4.2Å; K231-L252 HydrophobicContact CG-CB 4.13Å |
| 232 | N | 96.8 | Very high | 96.6 | Very high | 127 Ų | 127 | 57.5 Ų | 57.5 | 68% | 0.679 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -86.1 | -9.7 | 178.9 | -63.8 | -34.5 | 0 | 0 | 0 | 113.5 | D228 N229 M230 | D228-N232 VanDerWaalsContact O-CG 3.31Å; D228-N232 PolarHBondContact O-N 3.37Å; D228-N232 PolarHBondContact O-ND2 3.34Å; N229-N232 PolarHBondContact O-N 3.03Å; M230-N232 VanDerWaalsContact C-N 3.28Å; M230-N232 PolarHBondContact O-N 2.89Å |
| 233 | N | 96.9 | Very high | 96.3 | Very high | 38 Ų | 38 | 56.8 Ų | 56.8 | 20% | 0.203 | 29% | 0.285 | C | S | . | . | trans | -91.3 | 109.6 | 176.5 | -178.2 | -5 | 0 | 0 | 0 | 111.5 | N229 M230 M235 T236 N237 | N229-N233 WeakPolarHBondContact O-CB 3.26Å; N229-N233 PolarHBondContact O-N 3.07Å; M230-N233 PolarHBondContact O-N 2.99Å; M230-N233 VanDerWaalsContact O-N 3.14Å; N233-M235 PolarHBondContact O-N 3.49Å; N233-M235 VanDerWaalsContact O-N 3.11Å; N233-M235 WeakPolarHBondContact OD1-CB 3.42Å; N233-M235 PolarHBondContact OD1-N 2.98Å; N233-T236 PolarHBondContact O-N 3.28Å; N233-T236 PolarHBondContact O-OG1 3.25Å; N233-N237 PolarHBondContact O-N 3.42Å | ||
| 234 | E | 96.8 | Very high | 96.2 | Very high | 114 Ų | 114 | 51.5 Ų | 51.5 | 53% | 0.533 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -24.8 | 176.5 | -66.5 | -172.5 | 172 | 0 | 0 | 114.2 | T236 N237 | E234-T236 PolarHBondContact O-N 3.46Å; E234-N237 WeakPolarHBondContact CA-OD1 3.06Å |
| 235 | M | 97.8 | Very high | 96.1 | Very high | 9 Ų | 9 | 52 Ų | 52 | 4% | 0.044 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -6 | 176.1 | -62 | -40.9 | 97 | 0 | 0 | 112.6 | Q66 P70 I71 R74 N233 K240 | Q66-M235 WeakPolarHBondContact O-CB 3.47Å; Q66-M235 WeakPolarHBondContact O-CG 3.18Å; P70-M235 CarbonylContact C-O 3.56Å; P70-M235 HydrophobicContact CG-SD 4.26Å; I71-M235 VanDerWaalsContact CB-O 3.31Å; I71-M235 WeakPolarHBondContact CB-O 3.22Å; I71-M235 PolarHBondContact N-O 3.48Å; R74-M235 PolarHBondContact NH2-O 2.81Å; N233-M235 PolarHBondContact O-N 3.49Å; N233-M235 VanDerWaalsContact O-N 3.11Å; N233-M235 WeakPolarHBondContact OD1-CB 3.42Å; N233-M235 PolarHBondContact OD1-N 2.98Å; M235-K240 HydrophobicContact CE-CD 4.07Å; M235-K240 PolarHBondContact SD-NZ 3.04Å; M235-K240 VanDerWaalsContact SD-NZ 3.44Å |
| 236 | T | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.2 | -24.5 | -179.6 | 65.5 | 0 | 0 | 0 | 0 | 114.5 | T47 Y51 M230 N233 E234 C238 | T47-T236 WeakPolarHBondContact CG2-O 3.29Å; Y51-T236 HydrophobicContact CD1-CG2 3.78Å; Y51-T236 HydrophobicContact CD2-CG2 3.87Å; Y51-T236 HydrophobicContact CE1-CG2 3.85Å; Y51-T236 HydrophobicContact CE2-CG2 3.94Å; Y51-T236 HydrophobicContact CG-CG2 3.8Å; M230-T236 WeakPolarHBondContact CA-OG1 3.01Å; M230-T236 HydrophobicContact CE-CG2 4.43Å; M230-T236 PolarHBondContact O-OG1 3.34Å; N233-T236 PolarHBondContact O-N 3.28Å; N233-T236 PolarHBondContact O-OG1 3.25Å; E234-T236 PolarHBondContact O-N 3.46Å; T236-C238 PolarHBondContact O-N 3Å |
| 237 | N | 96.1 | Very high | 96 | Very high | 25 Ų | 25 | 60.1 Ų | 60.1 | 13% | 0.134 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -79.6 | 0.6 | -177.9 | 71 | 12.2 | 0 | 0 | 0 | 114.6 | K231 N233 E234 S239 F251 L252 | K231-N237 WeakPolarHBondContact O-CB 3.43Å; K231-N237 PolarHBondContact O-ND2 3.19Å; N233-N237 PolarHBondContact O-N 3.42Å; E234-N237 WeakPolarHBondContact CA-OD1 3.06Å; N237-S239 PolarHBondContact O-N 2.94Å; N237-S239 WeakPolarHBondContact OD1-CB 3.29Å; N237-S239 PolarHBondContact OD1-N 3.25Å; N237-S239 PolarHBondContact OD1-OG 2.67Å; N237-F251 WeakPolarHBondContact O-CB 3.42Å; N237-L252 HydrophobicContact CB-CD1 4Å |
| 238 | C | 95.6 | Very high | 96 | Very high | 6 Ų | 6 | 61.4 Ų | 61.4 | 4% | 0.041 | 31% | 0.305 | C | S | . | . | trans | 63.9 | 17.4 | 179.9 | -62.5 | 0 | 0 | 0 | 0 | 115.4 | T236 K240 L241 L244 F246 F251 | T236-C238 PolarHBondContact O-N 3Å; C238-K240 PolarHBondContact O-N 3.46Å; C238-K240 VanDerWaalsContact O-N 3.1Å; C238-L241 HydrophobicContact CB-CD1 4.02Å; C238-L241 PolarHBondContact O-N 3.04Å; C238-L241 VanDerWaalsContact O-N 3.09Å; C238-L244 HydrophobicContact CB-CD1 3.93Å; C238-F246 VanDerWaalsContact C-CZ 3.49Å; C238-F246 HydrophobicContact CB-CZ 4.47Å; C238-F246 VanDerWaalsContact O-CZ 3.3Å; C238-F246 WeakPolarHBondContact O-CZ 3.39Å; C238-F251 HydrophobicContact CB-CB 4.39Å; C238-F251 HydrophobicContact CB-CD1 4.08Å; C238-F251 HydrophobicContact CB-CD2 4.32Å; C238-F251 HydrophobicContact CB-CE1 4.5Å; C238-F251 HydrophobicContact CB-CG 4.01Å | ||
| 239 | S | 94.8 | Very high | 95.9 | Very high | 45 Ų | 45 | 57.9 Ų | 57.9 | 32% | 0.315 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -24 | 179.9 | 62.6 | 0 | 0 | 0 | 0 | 114 | N237 L241 | N237-S239 PolarHBondContact O-N 2.94Å; N237-S239 WeakPolarHBondContact OD1-CB 3.29Å; N237-S239 PolarHBondContact OD1-N 3.25Å; N237-S239 PolarHBondContact OD1-OG 2.67Å; S239-L241 VanDerWaalsContact C-N 3.28Å; S239-L241 PolarHBondContact O-N 2.83Å |
| 240 | K | 93.4 | Very high | 95.9 | Very high | 93 Ų | 93 | 57.4 Ų | 57.4 | 40% | 0.404 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 0.7 | 178.6 | -66.1 | 178.8 | 167.1 | -172.8 | 0 | 114.7 | P70 F72 M235 C238 | P70-K240 HydrophobicContact CG-CD 3.69Å; F72-K240 HydrophobicContact CE1-CB 4.26Å; F72-K240 HydrophobicContact CZ-CB 4.22Å; M235-K240 HydrophobicContact CE-CD 4.07Å; M235-K240 PolarHBondContact SD-NZ 3.04Å; M235-K240 VanDerWaalsContact SD-NZ 3.44Å; C238-K240 PolarHBondContact O-N 3.46Å; C238-K240 VanDerWaalsContact O-N 3.1Å |
| 241 | L | 93.3 | Very high | 95.8 | Very high | 18 Ų | 18 | 58.9 Ų | 58.9 | 9% | 0.094 | 29% | 0.294 | C | S | . | . | trans | -95 | 108.2 | 177 | -66 | 177.2 | 0 | 0 | 0 | 111.1 | F72 V85 C238 S239 F243 L244 | F72-L241 HydrophobicContact CD1-CD1 4.05Å; F72-L241 HydrophobicContact CD1-CD2 3.89Å; F72-L241 HydrophobicContact CD1-CG 3.91Å; F72-L241 HydrophobicContact CD2-CD2 4.05Å; F72-L241 HydrophobicContact CE1-CD1 4.34Å; F72-L241 HydrophobicContact CE1-CD2 3.64Å; F72-L241 HydrophobicContact CE1-CG 3.7Å; F72-L241 HydrophobicContact CE2-CD2 3.84Å; F72-L241 HydrophobicContact CG-CD2 4.09Å; F72-L241 HydrophobicContact CZ-CD2 3.63Å; F72-L241 HydrophobicContact CZ-CG 4.16Å; V85-L241 HydrophobicContact CG1-CD2 3.88Å; C238-L241 HydrophobicContact CB-CD1 4.02Å; C238-L241 PolarHBondContact O-N 3.04Å; C238-L241 VanDerWaalsContact O-N 3.09Å; S239-L241 VanDerWaalsContact C-N 3.28Å; S239-L241 PolarHBondContact O-N 2.83Å; L241-F243 HydrophobicContact CB-CD1 4.47Å; L241-F243 HydrophobicContact CB-CE1 4.08Å; L241-F243 HydrophobicContact CB-CE2 4.4Å; L241-F243 HydrophobicContact CB-CZ 4.05Å; L241-F243 HydrophobicContact CD1-CE1 4.46Å; L241-F243 HydrophobicContact CD1-CE2 4.27Å; L241-F243 HydrophobicContact CD1-CZ 3.78Å; L241-F243 HydrophobicContact CD2-CE1 3.83Å; L241-F243 HydrophobicContact CD2-CZ 3.95Å; L241-F243 HydrophobicContact CG-CE1 4.34Å; L241-F243 HydrophobicContact CG-CZ 4.15Å; L241-F243 PolarHBondContact O-N 3.2Å; L241-F243 VanDerWaalsContact O-N 3.16Å; L241-L244 HydrophobicContact CB-CD1 3.91Å; L241-L244 HydrophobicContact CB-CG 3.93Å; L241-L244 HydrophobicContact CD1-CD1 3.98Å; L241-L244 WeakPolarHBondContact O-CB 3.2Å; L241-L244 PolarHBondContact O-N 3.34Å; L241-L244 VanDerWaalsContact O-N 3.12Å | ||
| 242 | N | 91.6 | Very high | 95.7 | Very high | 147 Ų | 147 | 56.4 Ų | 56.4 | 79% | 0.786 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -15.1 | -172.8 | -64.2 | -18 | 0 | 0 | 0 | 115 | L244 | N242-L244 VanDerWaalsContact C-N 3.28Š|
| 243 | F | 92.4 | Very high | 95.8 | Very high | 27 Ų | 27 | 52.1 Ų | 52.1 | 12% | 0.118 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 2.5 | 176.2 | 56.8 | -98.2 | 0 | 0 | 0 | 113.4 | V82 T84 V85 N143 M144 V145 L241 | V82-F243 HydrophobicContact CG2-CD1 4.46Å; V82-F243 HydrophobicContact CG2-CE1 4.11Å; T84-F243 VanDerWaalsContact OG1-CD1 3.29Å; T84-F243 WeakPolarHBondContact OG1-CD1 3.36Å; V85-F243 HydrophobicContact CG1-CE1 4.26Å; N143-F243 WeakPolarHBondContact OD1-CD2 2.97Å; M144-F243 WeakPolarHBondContact CB-O 3.29Å; M144-F243 PolarHBondContact N-O 2.68Å; V145-F243 HydrophobicContact CG1-CB 3.97Å; V145-F243 HydrophobicContact CG1-CD2 4.32Å; V145-F243 HydrophobicContact CG1-CG 4.15Å; V145-F243 HydrophobicContact CG2-CD2 3.88Å; V145-F243 HydrophobicContact CG2-CE2 4.13Å; L241-F243 HydrophobicContact CB-CD1 4.47Å; L241-F243 HydrophobicContact CB-CE1 4.08Å; L241-F243 HydrophobicContact CB-CE2 4.4Å; L241-F243 HydrophobicContact CB-CZ 4.05Å; L241-F243 HydrophobicContact CD1-CE1 4.46Å; L241-F243 HydrophobicContact CD1-CE2 4.27Å; L241-F243 HydrophobicContact CD1-CZ 3.78Å; L241-F243 HydrophobicContact CD2-CE1 3.83Å; L241-F243 HydrophobicContact CD2-CZ 3.95Å; L241-F243 HydrophobicContact CG-CE1 4.34Å; L241-F243 HydrophobicContact CG-CZ 4.15Å; L241-F243 PolarHBondContact O-N 3.2Å; L241-F243 VanDerWaalsContact O-N 3.16Å |
| 244 | L | 95.6 | Very high | 95.8 | Very high | 12 Ų | 12 | 54.1 Ų | 54.1 | 6% | 0.063 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -105 | 118.7 | 175.5 | -59.1 | -172.1 | 0 | 0 | 0 | 110 | F139 M142 N143 C238 L241 N242 F246 F251 | F139-L244 HydrophobicContact CE2-CD2 4.18Å; M142-L244 HydrophobicContact CE-CB 3.67Å; M142-L244 HydrophobicContact CE-CD1 4.2Å; M142-L244 HydrophobicContact CE-CD2 4.36Å; M142-L244 HydrophobicContact CE-CG 4.28Å; M142-L244 HydrophobicContact SD-CB 4.03Å; M142-L244 HydrophobicContact SD-CD1 4.4Å; M142-L244 HydrophobicContact SD-CD2 3.66Å; M142-L244 HydrophobicContact SD-CG 4.23Å; N143-L244 HydrophobicContact CB-CD2 3.7Å; C238-L244 HydrophobicContact CB-CD1 3.93Å; L241-L244 HydrophobicContact CB-CD1 3.91Å; L241-L244 HydrophobicContact CB-CG 3.93Å; L241-L244 HydrophobicContact CD1-CD1 3.98Å; L241-L244 WeakPolarHBondContact O-CB 3.2Å; L241-L244 PolarHBondContact O-N 3.34Å; L241-L244 VanDerWaalsContact O-N 3.12Å; N242-L244 VanDerWaalsContact C-N 3.28Å; L244-F246 HydrophobicContact CB-CD2 4.17Å; L244-F246 HydrophobicContact CB-CE2 3.57Å; L244-F246 HydrophobicContact CB-CZ 4.15Å; L244-F246 HydrophobicContact CD1-CE2 4.25Å; L244-F246 HydrophobicContact CD1-CZ 4.04Å; L244-F246 WeakPolarHBondContact O-CD2 3.38Å; L244-F246 PolarHBondContact O-N 2.91Å; L244-F251 HydrophobicContact CD1-CD2 4.18Å |
| 245 | D | 96.3 | Very high | 95.7 | Very high | 60 Ų | 60 | 49.8 Ų | 49.8 | 32% | 0.321 | 25% | 0.252 | S | S | . | . | trans | -90.8 | 92.5 | 175.4 | -169.9 | -11.9 | 0 | 0 | 0 | 111.2 | M142 K247 I248 | M142-D245 WeakPolarHBondContact CB-O 3.4Å; M142-D245 PolarHBondContact O-N 3.45Å; D245-K247 PolarHBondContact O-N 3.32Å; D245-K247 VanDerWaalsContact O-N 3.13Å; D245-K247 VanDerWaalsContact OD1-CB 3.26Å; D245-K247 WeakPolarHBondContact OD1-CB 3.32Å; D245-K247 PolarHBondContact OD1-N 2.85Å; D245-I248 HydrophobicContact CB-CD1 3.99Å; D245-I248 HydrophobicContact CB-CG1 4.19Å; D245-I248 PolarHBondContact O-N 2.96Å | ||
| 246 | F | 96.1 | Very high | 95.5 | Very high | 71 Ų | 71 | 56 Ų | 56 | 31% | 0.311 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -12.6 | 179.4 | -71.3 | -94.8 | 0 | 0 | 0 | 114.1 | M142 C238 L244 I248 F251 | M142-F246 HydrophobicContact CE-CD1 4.34Å; M142-F246 HydrophobicContact CE-CE1 4.23Å; M142-F246 HydrophobicContact CE-CE2 4.45Å; M142-F246 HydrophobicContact CE-CG 4.47Å; M142-F246 HydrophobicContact CE-CZ 4.26Å; C238-F246 VanDerWaalsContact C-CZ 3.49Å; C238-F246 HydrophobicContact CB-CZ 4.47Å; C238-F246 VanDerWaalsContact O-CZ 3.3Å; C238-F246 WeakPolarHBondContact O-CZ 3.39Å; L244-F246 HydrophobicContact CB-CD2 4.17Å; L244-F246 HydrophobicContact CB-CE2 3.57Å; L244-F246 HydrophobicContact CB-CZ 4.15Å; L244-F246 HydrophobicContact CD1-CE2 4.25Å; L244-F246 HydrophobicContact CD1-CZ 4.04Å; L244-F246 WeakPolarHBondContact O-CD2 3.38Å; L244-F246 PolarHBondContact O-N 2.91Å; F246-I248 VanDerWaalsContact C-N 3.31Å; F246-F251 HydrophobicContact CE1-CB 3.81Å; F246-F251 HydrophobicContact CZ-CB 4.17Å |
| 247 | K | 96.1 | Very high | 95.6 | Very high | 202 Ų | 202 | 57 Ų | 57 | 88% | 0.878 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -26.1 | 173 | -58.6 | 176.7 | -178.9 | 175.2 | 0 | 111.8 | D245 | D245-K247 PolarHBondContact O-N 3.32Å; D245-K247 VanDerWaalsContact O-N 3.13Å; D245-K247 VanDerWaalsContact OD1-CB 3.26Å; D245-K247 WeakPolarHBondContact OD1-CB 3.32Å; D245-K247 PolarHBondContact OD1-N 2.85Å |
| 248 | I | 96.9 | Very high | 95.7 | Very high | 65 Ų | 65 | 56.5 Ų | 56.5 | 33% | 0.333 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -48.5 | 177.9 | -62.9 | 177.1 | 0 | 0 | 0 | 110.7 | R141 M142 D245 F246 | R141-I248 HydrophobicContact CB-CG2 3.75Å; R141-I248 WeakPolarHBondContact O-CD1 3.25Å; M142-I248 HydrophobicContact CB-CB 4.14Å; M142-I248 HydrophobicContact CB-CG2 4.31Å; D245-I248 HydrophobicContact CB-CD1 3.99Å; D245-I248 HydrophobicContact CB-CG1 4.19Å; D245-I248 PolarHBondContact O-N 2.96Å; F246-I248 VanDerWaalsContact C-N 3.31Å |
| 249 | S | 97.1 | Very high | 95.8 | Very high | 9 Ų | 9 | 57 Ų | 57 | 6% | 0.063 | 29% | 0.287 | C | S | . | . | trans | -159.9 | 137.9 | 176.6 | -158.2 | 0 | 0 | 0 | 0 | 110.3 | M142 | M142-S249 WeakPolarHBondContact CE-O 3.37Š| ||
| 250 | P | 96.5 | Very high | 96 | Very high | 57 Ų | 57 | 55.9 Ų | 55.9 | 37% | 0.37 | 28% | 0.276 | S | S | . | . | trans | -70.7 | 144.3 | 170.9 | 26 | -30.3 | 0 | 0 | 0 | 111.5 | ||||
| 251 | F | 97.1 | Very high | 96.3 | Very high | 36 Ų | 36 | 56.6 Ų | 56.6 | 16% | 0.158 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -61.6 | -49.1 | 177.9 | 179.9 | -93.5 | 0 | 0 | 0 | 112.3 | T47 F139 M142 N237 C238 L244 F246 R253 | T47-F251 HydrophobicContact CG2-CE1 4.33Å; T47-F251 WeakPolarHBondContact OG1-CE1 3.39Å; T47-F251 WeakPolarHBondContact OG1-CZ 3.36Å; F139-F251 HydrophobicContact CD2-CD2 4.17Å; F139-F251 HydrophobicContact CD2-CE2 4.31Å; F139-F251 AromaticContact CE2-CD2 3.78Å; F139-F251 HydrophobicContact CE2-CD2 3.78Å; F139-F251 AromaticContact CE2-CE2 3.7Å; F139-F251 HydrophobicContact CE2-CE2 3.7Å; F139-F251 HydrophobicContact CZ-CE2 4.4Å; M142-F251 HydrophobicContact CE-CB 4.23Å; N237-F251 WeakPolarHBondContact O-CB 3.42Å; C238-F251 HydrophobicContact CB-CB 4.39Å; C238-F251 HydrophobicContact CB-CD1 4.08Å; C238-F251 HydrophobicContact CB-CD2 4.32Å; C238-F251 HydrophobicContact CB-CE1 4.5Å; C238-F251 HydrophobicContact CB-CG 4.01Å; L244-F251 HydrophobicContact CD1-CD2 4.18Å; F246-F251 HydrophobicContact CE1-CB 3.81Å; F246-F251 HydrophobicContact CZ-CB 4.17Å; F251-R253 PolarHBondContact O-N 3.2Å |
| 252 | L | 96.2 | Very high | 96.5 | Very high | 23 Ų | 23 | 60.5 Ų | 60.5 | 12% | 0.12 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -84.6 | 82.4 | 167.4 | -69.5 | 175.5 | 0 | 0 | 0 | 108.9 | F227 M230 K231 N237 | F227-L252 HydrophobicContact CD2-CD2 4.5Å; F227-L252 HydrophobicContact CE2-CB 3.85Å; F227-L252 HydrophobicContact CE2-CD2 4.09Å; F227-L252 HydrophobicContact CZ-CB 4.04Å; F227-L252 WeakPolarHBondContact CZ-O 3.37Å; M230-L252 HydrophobicContact CB-CD1 3.72Å; M230-L252 WeakPolarHBondContact O-CD1 3.46Å; K231-L252 VanDerWaalsContact CA-CD1 3.46Å; K231-L252 HydrophobicContact CB-CB 4.12Å; K231-L252 HydrophobicContact CB-CD1 4.2Å; K231-L252 HydrophobicContact CG-CB 4.13Å; N237-L252 HydrophobicContact CB-CD1 4Å |
| 253 | R | 97.5 | Very high | 96.7 | Very high | 37 Ų | 37 | 55.6 Ų | 55.6 | 14% | 0.14 | 28% | 0.276 | C | S | . | . | trans | -73.9 | -68.7 | -168.9 | -168 | -175.1 | 62.9 | 87.8 | 6.1 | 114.4 | F251 D259 | F251-R253 PolarHBondContact O-N 3.2Å; R253-D259 IonicContact CZ-OD2 3.22Å; R253-D259 VanDerWaalsContact CZ-OD2 3.22Å; R253-D259 IonicContact NH1-OD2 2.81Å; R253-D259 PolarHBondContact NH1-OD2 3.09Å; R253-D259 IonicContact NH2-OD2 2.7Å; R253-D259 PolarHBondContact NH2-OD2 3.4Å | ||
| 254 | K | 96.4 | Very high | 97 | Very high | 81 Ų | 81 | 55.1 Ų | 55.1 | 35% | 0.352 | 27% | 0.274 | S | S | . | . | trans | -131 | -29.1 | -176.9 | -76.6 | -172.6 | -177 | 176 | 0 | 115.1 | F227 K256 D259 | F227-K254 VanDerWaalsContact CZ-C 3.44Å; K254-K256 VanDerWaalsContact C-N 3.3Å; K254-K256 WeakPolarHBondContact O-CG 3.41Å; K254-K256 PolarHBondContact O-N 3.42Å; K254-D259 HydrophobicContact CD-CB 4.42Å; K254-D259 WeakPolarHBondContact CD-OD1 3.46Å; K254-D259 WeakPolarHBondContact CD-OD2 3.33Å; K254-D259 WeakPolarHBondContact CE-OD1 3.3Å; K254-D259 IonicContact NZ-OD1 2.58Å; K254-D259 PolarHBondContact NZ-OD1 3.41Å; K254-D259 IonicContact NZ-OD2 3.34Å; K254-D259 PolarHBondContact NZ-OD2 3.09Å | ||
| 255 | G | 94.7 | Very high | 97.2 | Very high | 23 Ų | 23 | 58.3 Ų | 58.3 | 24% | 0.237 | 29% | 0.294 | C | S | . | . | trans | 63 | 29.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y191 F227 | Y191-G255 WeakPolarHBondContact OH-CA 3.25Å; Y191-G255 PolarHBondContact OH-O 2.6Å; F227-G255 VanDerWaalsContact CD2-CA 3.44Å | ||
| 256 | K | 95.6 | Very high | 97.3 | Very high | 140 Ų | 140 | 60.6 Ų | 60.6 | 61% | 0.609 | 31% | 0.31 | S | S | * | . | trans | -123.9 | 158 | -174.4 | -70.5 | 176.1 | -176 | -168.5 | 0 | 112 | R127 K254 | R127-K256 PolarHBondContact NH2-O 3.38Å; K254-K256 VanDerWaalsContact C-N 3.3Å; K254-K256 WeakPolarHBondContact O-CG 3.41Å; K254-K256 PolarHBondContact O-N 3.42Å | ||
| 257 | V | 98.5 | Very high | 97.4 | Very high | 19 Ų | 19 | 60.2 Ų | 60.2 | 12% | 0.115 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -93.2 | 135 | 165.3 | -173.2 | 0 | 0 | 0 | 0 | 108.3 | D131 Y191 E192 A195 I291 | D131-V257 WeakPolarHBondContact OD2-CA 3.41Å; Y191-V257 HydrophobicContact CD1-CG2 4.07Å; Y191-V257 HydrophobicContact CE1-CG2 3.97Å; E192-V257 HydrophobicContact CB-CG2 4.26Å; E192-V257 HydrophobicContact CG-CG1 3.76Å; E192-V257 HydrophobicContact CG-CG2 3.92Å; A195-V257 HydrophobicContact CB-CG2 3.85Å; V257-I291 HydrophobicContact CB-CD1 4.22Å; V257-I291 HydrophobicContact CB-CG1 4.11Å; V257-I291 HydrophobicContact CB-CG2 4.32Å; V257-I291 HydrophobicContact CG1-CG2 4.29Å; V257-I291 HydrophobicContact CG2-CD1 3.92Å; V257-I291 HydrophobicContact CG2-CG1 4.32Å; V257-I291 HydrophobicContact CG2-CG2 4.23Å |
| 258 | G | 98.4 | Very high | 97.5 | Very high | 15 Ų | 15 | 51.5 Ų | 51.5 | 16% | 0.155 | 28% | 0.282 | C | S | . | . | S | Bend | trans | 96.6 | 4.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116 | D131 W260 K261 T289 | D131-G258 PolarHBondContact OD1-N 2.76Å; D131-G258 PolarHBondContact OD2-N 3.13Å; G258-W260 PolarHBondContact O-N 3.12Å; G258-K261 PolarHBondContact O-N 3.22Å; G258-T289 WeakPolarHBondContact CA-O 3.26Å |
| 259 | D | 98.3 | Very high | 97.6 | Very high | 16 Ų | 16 | 50 Ų | 50 | 9% | 0.086 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -67.1 | -20.5 | 178.8 | -169.9 | 62.6 | 0 | 0 | 0 | 112.8 | D131 R253 K254 K261 T262 H263 | D131-D259 PolarHBondContact OD1-N 3.39Å; R253-D259 IonicContact CZ-OD2 3.22Å; R253-D259 VanDerWaalsContact CZ-OD2 3.22Å; R253-D259 IonicContact NH1-OD2 2.81Å; R253-D259 PolarHBondContact NH1-OD2 3.09Å; R253-D259 IonicContact NH2-OD2 2.7Å; R253-D259 PolarHBondContact NH2-OD2 3.4Å; K254-D259 HydrophobicContact CD-CB 4.42Å; K254-D259 WeakPolarHBondContact CD-OD1 3.46Å; K254-D259 WeakPolarHBondContact CD-OD2 3.33Å; K254-D259 WeakPolarHBondContact CE-OD1 3.3Å; K254-D259 IonicContact NZ-OD1 2.58Å; K254-D259 PolarHBondContact NZ-OD1 3.41Å; K254-D259 IonicContact NZ-OD2 3.34Å; K254-D259 PolarHBondContact NZ-OD2 3.09Å; D259-K261 PolarHBondContact O-N 3.26Å; D259-K261 VanDerWaalsContact O-N 3.15Å; D259-T262 PolarHBondContact O-N 3.22Å; D259-T262 VanDerWaalsContact O-N 3.13Å; D259-T262 PolarHBondContact O-OG1 3.38Å; D259-H263 PolarHBondContact O-ND1 3.19Å; D259-H263 IonicContact OD2-CE1 2.84Å; D259-H263 PolarHBondContact OD2-CE1 3.3Å; D259-H263 VanDerWaalsContact OD2-CE1 3.24Å; D259-H263 IonicContact OD2-ND1 3.85Å |
| 260 | W | 98.6 | Very high | 97.7 | Very high | 22 Ų | 22 | 55 Ų | 55 | 8% | 0.083 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -53.8 | -30.3 | 173.5 | 69.3 | -93.5 | 0 | 0 | 0 | 113.7 | K130 D131 V134 G258 T262 H263 F264 N269 T289 | K130-W260 HydrophobicContact CB-CB 3.61Å; K130-W260 HydrophobicContact CB-CD2 3.75Å; K130-W260 HydrophobicContact CB-CE3 4.27Å; K130-W260 HydrophobicContact CB-CG 3.43Å; K130-W260 VanDerWaalsContact CB-CG 3.43Å; K130-W260 HydrophobicContact CD-CD2 3.58Å; K130-W260 HydrophobicContact CD-CE3 3.63Å; K130-W260 HydrophobicContact CD-CG 4.22Å; K130-W260 HydrophobicContact CD-CH2 3.9Å; K130-W260 HydrophobicContact CD-CZ2 3.86Å; K130-W260 HydrophobicContact CD-CZ3 3.81Å; K130-W260 HydrophobicContact CG-CD2 4.29Å; K130-W260 HydrophobicContact CG-CG 4.45Å; D131-W260 PolarHBondContact OD1-N 2.9Å; V134-W260 HydrophobicContact CG2-CB 4.14Å; G258-W260 PolarHBondContact O-N 3.12Å; W260-T262 PolarHBondContact O-N 3.42Å; W260-T262 VanDerWaalsContact O-N 3.13Å; W260-H263 PolarHBondContact O-N 3.25Å; W260-F264 HydrophobicContact CB-CD2 4.03Å; W260-F264 HydrophobicContact CB-CE2 4.07Å; W260-F264 HydrophobicContact CE3-CB 4.03Å; W260-F264 HydrophobicContact CE3-CD1 4.28Å; W260-F264 HydrophobicContact CE3-CD2 4.22Å; W260-F264 AromaticContact CE3-CG 3.93Å; W260-F264 HydrophobicContact CE3-CG 3.93Å; W260-F264 HydrophobicContact CZ3-CB 4.38Å; W260-F264 WeakPolarHBondContact O-CD2 3.44Å; W260-F264 PolarHBondContact O-N 2.93Å; W260-N269 VanDerWaalsContact CH2-OD1 3.3Å; W260-N269 WeakPolarHBondContact CH2-OD1 3.05Å; W260-N269 HydrophobicContact CZ3-CB 4.44Å; W260-N269 WeakPolarHBondContact CZ3-OD1 3.43Å; W260-T289 PolarHBondContact NE1-O 3.41Å |
| 261 | K | 98.3 | Very high | 97.8 | Very high | 109 Ų | 109 | 54.3 Ų | 54.3 | 47% | 0.474 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -61 | -23.3 | 179.5 | -65.7 | -178.9 | -179.8 | 179.7 | 0 | 113.4 | G258 D259 H263 E290 | G258-K261 PolarHBondContact O-N 3.22Å; D259-K261 PolarHBondContact O-N 3.26Å; D259-K261 VanDerWaalsContact O-N 3.15Å; K261-H263 VanDerWaalsContact C-N 3.34Å; K261-E290 IonicContact NZ-OE2 2.89Å; K261-E290 PolarHBondContact NZ-OE2 3.13Å |
| 262 | T | 97.5 | Very high | 97.9 | Very high | 99 Ų | 99 | 52.8 Ų | 52.8 | 61% | 0.607 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -90.3 | 2.3 | 177.8 | 79.5 | 0 | 0 | 0 | 0 | 113.4 | D259 W260 | D259-T262 PolarHBondContact O-N 3.22Å; D259-T262 VanDerWaalsContact O-N 3.13Å; D259-T262 PolarHBondContact O-OG1 3.38Å; W260-T262 PolarHBondContact O-N 3.42Å; W260-T262 VanDerWaalsContact O-N 3.13Å |
| 263 | H | 97.5 | Very high | 98 | Very high | 45 Ų | 45 | 55 Ų | 55 | 21% | 0.208 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.8 | -40.4 | -175 | -63.1 | 78.5 | 0 | 0 | 0 | 112.1 | V134 H138 W152 D259 W260 K261 | V134-H263 HydrophobicContact CG2-CB 3.75Å; H138-H263 AromaticContact NE2-CD2 3.71Å; H138-H263 AromaticContact NE2-NE2 3.09Å; H138-H263 PolarHBondContact NE2-NE2 2.96Å; W152-H263 HydrophobicContact CZ2-CB 4.22Å; W152-H263 PolarHBondContact NE1-O 3.46Å; D259-H263 PolarHBondContact O-ND1 3.19Å; D259-H263 IonicContact OD2-CE1 2.84Å; D259-H263 PolarHBondContact OD2-CE1 3.3Å; D259-H263 VanDerWaalsContact OD2-CE1 3.24Å; D259-H263 IonicContact OD2-ND1 3.85Å; W260-H263 PolarHBondContact O-N 3.25Å; K261-H263 VanDerWaalsContact C-N 3.34Å |
| 264 | F | 98.5 | Very high | 98 | Very high | 17 Ų | 17 | 60.3 Ų | 60.3 | 8% | 0.075 | 33% | 0.329 | C | S | . | . | trans | -72.2 | 131.7 | 178.5 | -79 | -127.1 | 0 | 0 | 0 | 109.6 | K130 M133 V134 W152 F156 W260 Q268 N269 F272 | K130-F264 HydrophobicContact CB-CE1 4.35Å; K130-F264 HydrophobicContact CB-CE2 4.3Å; K130-F264 HydrophobicContact CB-CZ 3.95Å; K130-F264 HydrophobicContact CD-CE1 4.41Å; K130-F264 HydrophobicContact CG-CE1 4.06Å; K130-F264 HydrophobicContact CG-CZ 4.11Å; M133-F264 HydrophobicContact CE-CZ 3.98Å; M133-F264 HydrophobicContact SD-CE2 4.11Å; M133-F264 HydrophobicContact SD-CZ 3.64Å; V134-F264 HydrophobicContact CG2-CD2 4.19Å; V134-F264 HydrophobicContact CG2-CE2 3.83Å; W152-F264 HydrophobicContact CH2-CD2 4.2Å; W152-F264 AromaticContact CH2-CE2 3.71Å; W152-F264 HydrophobicContact CH2-CE2 3.71Å; W152-F264 HydrophobicContact CH2-CZ 4.49Å; W152-F264 AromaticContact CZ2-CD2 3.63Å; W152-F264 HydrophobicContact CZ2-CD2 3.63Å; W152-F264 AromaticContact CZ2-CE2 3.54Å; W152-F264 HydrophobicContact CZ2-CE2 3.54Å; W152-F264 HydrophobicContact CZ2-CG 4.46Å; W152-F264 HydrophobicContact CZ2-CZ 4.32Å; F156-F264 HydrophobicContact CD2-CE1 4.1Å; F156-F264 HydrophobicContact CD2-CZ 4.25Å; F156-F264 HydrophobicContact CE2-CD1 4.03Å; F156-F264 AromaticContact CE2-CE1 3.57Å; F156-F264 HydrophobicContact CE2-CE1 3.57Å; F156-F264 HydrophobicContact CE2-CZ 4.14Å; W260-F264 HydrophobicContact CB-CD2 4.03Å; W260-F264 HydrophobicContact CB-CE2 4.07Å; W260-F264 HydrophobicContact CE3-CB 4.03Å; W260-F264 HydrophobicContact CE3-CD1 4.28Å; W260-F264 HydrophobicContact CE3-CD2 4.22Å; W260-F264 AromaticContact CE3-CG 3.93Å; W260-F264 HydrophobicContact CE3-CG 3.93Å; W260-F264 HydrophobicContact CZ3-CB 4.38Å; W260-F264 WeakPolarHBondContact O-CD2 3.44Å; W260-F264 PolarHBondContact O-N 2.93Å; F264-Q268 HydrophobicContact CD1-CB 4.38Å; F264-N269 HydrophobicContact CD1-CB 4.5Å; F264-F272 HydrophobicContact CE1-CB 4.16Å; F264-F272 HydrophobicContact CE1-CD2 4.16Å; F264-F272 HydrophobicContact CE1-CG 4.11Å | ||
| 265 | T | 98.6 | Very high | 98.1 | Very high | 78 Ų | 78 | 58 Ų | 58 | 48% | 0.479 | 32% | 0.32 | S | S | . | . | trans | -72.4 | 163 | 161.5 | 70 | 0 | 0 | 0 | 0 | 109.8 | A267 Q268 N269 | T265-A267 VanDerWaalsContact C-N 3.3Å; T265-A267 PolarHBondContact O-N 3.1Å; T265-Q268 VanDerWaalsContact N-OE1 3.17Å; T265-Q268 PolarHBondContact O-N 3.03Å; T265-Q268 WeakPolarHBondContact OG1-CB 3.38Å; T265-Q268 WeakPolarHBondContact OG1-CG 3.37Å; T265-Q268 PolarHBondContact OG1-N 3.4Å; T265-Q268 VanDerWaalsContact OG1-N 3.12Å; T265-N269 PolarHBondContact O-N 3.26Å | ||
| 266 | V | 98.5 | Very high | 98.3 | Very high | 108 Ų | 108 | 59.2 Ų | 59.2 | 66% | 0.655 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -56.8 | -46.5 | 175.1 | 177 | 0 | 0 | 0 | 0 | 110.9 | Q268 N269 E270 | V266-Q268 PolarHBondContact O-N 2.98Å; V266-N269 WeakPolarHBondContact O-CB 3.38Å; V266-N269 PolarHBondContact O-N 3.15Å; V266-N269 VanDerWaalsContact O-N 3.09Å; V266-E270 WeakPolarHBondContact O-CG 3.23Å; V266-E270 PolarHBondContact O-N 2.98Å |
| 267 | A | 98.6 | Very high | 98.4 | Very high | 64 Ų | 64 | 60.8 Ų | 60.8 | 53% | 0.529 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | T265 N269 A271 | T265-A267 VanDerWaalsContact C-N 3.3Å; T265-A267 PolarHBondContact O-N 3.1Å; A267-N269 VanDerWaalsContact C-N 3.32Å; A267-A271 WeakPolarHBondContact O-CB 3.47Å; A267-A271 PolarHBondContact O-N 3.06Å |
| 268 | Q | 98.8 | Very high | 98.3 | Very high | 18 Ų | 18 | 63 Ų | 63 | 8% | 0.084 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65 | -38.2 | 173.6 | -78.2 | 176.5 | -29.5 | 0 | 0 | 111.6 | F156 F264 T265 V266 F272 | F156-Q268 HydrophobicContact CD1-CG 4.34Å; F156-Q268 HydrophobicContact CD2-CB 4.25Å; F156-Q268 HydrophobicContact CD2-CG 4.28Å; F156-Q268 HydrophobicContact CE1-CB 4.45Å; F156-Q268 HydrophobicContact CE1-CG 4.28Å; F156-Q268 HydrophobicContact CE2-CB 3.8Å; F156-Q268 HydrophobicContact CE2-CG 4.22Å; F156-Q268 HydrophobicContact CG-CG 4.36Å; F156-Q268 HydrophobicContact CZ-CB 3.92Å; F156-Q268 HydrophobicContact CZ-CG 4.23Å; F156-Q268 WeakPolarHBondContact CZ-O 3.23Å; F264-Q268 HydrophobicContact CD1-CB 4.38Å; T265-Q268 VanDerWaalsContact N-OE1 3.17Å; T265-Q268 PolarHBondContact O-N 3.03Å; T265-Q268 WeakPolarHBondContact OG1-CB 3.38Å; T265-Q268 WeakPolarHBondContact OG1-CG 3.37Å; T265-Q268 PolarHBondContact OG1-N 3.4Å; T265-Q268 VanDerWaalsContact OG1-N 3.12Å; V266-Q268 PolarHBondContact O-N 2.98Å; Q268-F272 WeakPolarHBondContact O-CB 3.49Å; Q268-F272 PolarHBondContact O-N 3.22Å |
| 269 | N | 98.8 | Very high | 98.3 | Very high | 35 Ų | 35 | 66.1 Ų | 66.1 | 19% | 0.187 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.1 | -46.7 | 177.2 | -175.5 | 73.4 | 0 | 0 | 0 | 112 | K130 W260 F264 T265 V266 A267 F272 D273 | K130-N269 WeakPolarHBondContact CE-OD1 3.42Å; K130-N269 PolarHBondContact NZ-OD1 3.13Å; W260-N269 VanDerWaalsContact CH2-OD1 3.3Å; W260-N269 WeakPolarHBondContact CH2-OD1 3.05Å; W260-N269 HydrophobicContact CZ3-CB 4.44Å; W260-N269 WeakPolarHBondContact CZ3-OD1 3.43Å; F264-N269 HydrophobicContact CD1-CB 4.5Å; T265-N269 PolarHBondContact O-N 3.26Å; V266-N269 WeakPolarHBondContact O-CB 3.38Å; V266-N269 PolarHBondContact O-N 3.15Å; V266-N269 VanDerWaalsContact O-N 3.09Å; A267-N269 VanDerWaalsContact C-N 3.32Å; N269-F272 PolarHBondContact O-N 3.13Å; N269-D273 PolarHBondContact ND2-OD2 3.01Å; N269-D273 WeakPolarHBondContact O-CB 3.31Å; N269-D273 VanDerWaalsContact O-CG 3.26Å; N269-D273 PolarHBondContact O-N 3.34Å |
| 270 | E | 98.6 | Very high | 98.2 | Very high | 112 Ų | 112 | 66.8 Ų | 66.8 | 52% | 0.523 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.9 | -49.4 | 177.6 | -70.1 | 169.9 | 170 | 0 | 0 | 111.3 | V266 F272 D273 E274 | V266-E270 WeakPolarHBondContact O-CG 3.23Å; V266-E270 PolarHBondContact O-N 2.98Å; E270-F272 VanDerWaalsContact C-N 3.31Å; E270-F272 PolarHBondContact O-N 2.7Å; E270-D273 PolarHBondContact O-N 3.24Å; E270-D273 VanDerWaalsContact O-N 3.16Å; E270-E274 PolarHBondContact O-N 2.98Å |
| 271 | A | 98.6 | Very high | 98 | Very high | 44 Ų | 44 | 74 Ų | 74 | 36% | 0.364 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.2 | -40.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A267 D275 | A267-A271 WeakPolarHBondContact O-CB 3.47Å; A267-A271 PolarHBondContact O-N 3.06Å; A271-D275 WeakPolarHBondContact O-CB 3.49Å; A271-D275 PolarHBondContact O-N 3.07Å; A271-D275 VanDerWaalsContact O-N 3.09Å |
| 272 | F | 98.8 | Very high | 97.9 | Very high | 3 Ų | 3 | 71.4 Ų | 71.4 | 1% | 0.013 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.3 | -45.3 | 175.1 | 179 | -82.1 | 0 | 0 | 0 | 111.5 | A129 K130 M133 F156 L160 F264 Q268 N269 E270 E274 D275 Y276 | A129-F272 HydrophobicContact CB-CE2 3.98Å; A129-F272 HydrophobicContact CB-CZ 3.49Å; A129-F272 VanDerWaalsContact CB-CZ 3.49Å; K130-F272 HydrophobicContact CD-CD1 4.15Å; K130-F272 HydrophobicContact CD-CE1 4.18Å; K130-F272 VanDerWaalsContact CE-CE1 3.46Å; K130-F272 HydrophobicContact CG-CD1 3.89Å; K130-F272 HydrophobicContact CG-CE1 3.6Å; K130-F272 HydrophobicContact CG-CE2 4.44Å; K130-F272 HydrophobicContact CG-CG 4.44Å; K130-F272 HydrophobicContact CG-CZ 3.92Å; M133-F272 HydrophobicContact CE-CD2 3.88Å; M133-F272 HydrophobicContact CE-CE2 3.94Å; F156-F272 HydrophobicContact CE2-CB 4.07Å; F156-F272 HydrophobicContact CE2-CD2 4.4Å; F156-F272 HydrophobicContact CZ-CB 3.93Å; L160-F272 HydrophobicContact CD2-CD2 3.66Å; L160-F272 HydrophobicContact CD2-CE2 4.13Å; F264-F272 HydrophobicContact CE1-CB 4.16Å; F264-F272 HydrophobicContact CE1-CD2 4.16Å; F264-F272 HydrophobicContact CE1-CG 4.11Å; Q268-F272 WeakPolarHBondContact O-CB 3.49Å; Q268-F272 PolarHBondContact O-N 3.22Å; N269-F272 PolarHBondContact O-N 3.13Å; E270-F272 VanDerWaalsContact C-N 3.31Å; E270-F272 PolarHBondContact O-N 2.7Å; F272-E274 VanDerWaalsContact C-N 3.31Å; F272-E274 PolarHBondContact O-N 2.81Å; F272-D275 PolarHBondContact O-N 2.8Å; F272-Y276 AromaticContact CE1-CD2 3.63Å; F272-Y276 HydrophobicContact CE1-CD2 3.63Å; F272-Y276 AromaticContact CE1-CG 3.96Å; F272-Y276 HydrophobicContact CE1-CG 3.96Å; F272-Y276 AromaticContact CZ-CD2 3.65Å; F272-Y276 HydrophobicContact CZ-CD2 3.65Å; F272-Y276 HydrophobicContact CZ-CE2 4.48Å; F272-Y276 HydrophobicContact CZ-CG 4.36Å; F272-Y276 WeakPolarHBondContact O-CB 3.43Å; F272-Y276 PolarHBondContact O-N 3.41Å |
| 273 | D | 98.6 | Very high | 97.7 | Very high | 69 Ų | 69 | 71 Ų | 71 | 37% | 0.369 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.2 | -36.4 | -176.5 | -73.5 | -25.1 | 0 | 0 | 0 | 111.6 | K130 N269 E270 K277 | K130-D273 WeakPolarHBondContact CE-OD1 3.49Å; K130-D273 IonicContact NZ-OD1 2.6Å; K130-D273 PolarHBondContact NZ-OD1 2.98Å; K130-D273 IonicContact NZ-OD2 3.67Å; K130-D273 PolarHBondContact NZ-OD2 2.58Å; N269-D273 PolarHBondContact ND2-OD2 3.01Å; N269-D273 WeakPolarHBondContact O-CB 3.31Å; N269-D273 VanDerWaalsContact O-CG 3.26Å; N269-D273 PolarHBondContact O-N 3.34Å; E270-D273 PolarHBondContact O-N 3.24Å; E270-D273 VanDerWaalsContact O-N 3.16Å; D273-K277 VanDerWaalsContact O-CB 3.31Å; D273-K277 WeakPolarHBondContact O-CB 3.07Å; D273-K277 PolarHBondContact O-N 3.1Å |
| 274 | E | 98.3 | Very high | 97.7 | Very high | 149 Ų | 149 | 72.5 Ų | 72.5 | 70% | 0.696 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -64.6 | -50.3 | 172 | -70.4 | -177.7 | 175.4 | 0 | 0 | 112.3 | E270 F272 Y276 K277 S278 | E270-E274 PolarHBondContact O-N 2.98Å; F272-E274 VanDerWaalsContact C-N 3.31Å; F272-E274 PolarHBondContact O-N 2.81Å; E274-Y276 PolarHBondContact O-N 3.23Å; E274-K277 PolarHBondContact O-N 3.26Å; E274-S278 PolarHBondContact O-N 3.17Å; E274-S278 VanDerWaalsContact O-N 3.11Å |
| 275 | D | 98.4 | Very high | 97.6 | Very high | 33 Ų | 33 | 72 Ų | 72 | 18% | 0.176 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.2 | -46.4 | 177.5 | -177.8 | 77.9 | 0 | 0 | 0 | 111.3 | L160 Y170 A271 F272 K277 S278 K279 | L160-D275 HydrophobicContact CD2-CB 4.34Å; Y170-D275 VanDerWaalsContact CZ-OD2 3.29Å; Y170-D275 PolarHBondContact OH-OD2 3.18Å; A271-D275 WeakPolarHBondContact O-CB 3.49Å; A271-D275 PolarHBondContact O-N 3.07Å; A271-D275 VanDerWaalsContact O-N 3.09Å; F272-D275 PolarHBondContact O-N 2.8Å; D275-K277 PolarHBondContact O-N 3.23Å; D275-S278 WeakPolarHBondContact O-CB 3.34Å; D275-S278 PolarHBondContact O-N 3.41Å; D275-S278 VanDerWaalsContact O-N 3.07Å; D275-S278 PolarHBondContact O-OG 3.34Å; D275-K279 PolarHBondContact O-N 3.42Å; D275-K279 WeakPolarHBondContact OD1-CE 3.48Å; D275-K279 IonicContact OD1-NZ 3.38Å; D275-K279 PolarHBondContact OD1-NZ 2.82Å; D275-K279 WeakPolarHBondContact OD2-CD 3.46Å; D275-K279 WeakPolarHBondContact OD2-CE 3.35Å; D275-K279 IonicContact OD2-NZ 2.69Å; D275-K279 PolarHBondContact OD2-NZ 2.89Å |
| 276 | Y | 98.4 | Very high | 97.6 | Very high | 49 Ų | 49 | 77.3 Ų | 77.3 | 19% | 0.192 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -58.6 | -46.5 | 178 | -174.9 | -83.1 | 0 | 0 | 0 | 111.6 | W169 Y170 F272 E274 S278 K279 M280 F287 | W169-Y276 AromaticContact CH2-CE2 3.63Å; W169-Y276 HydrophobicContact CH2-CE2 3.63Å; W169-Y276 HydrophobicContact CZ3-CD2 4.18Å; W169-Y276 AromaticContact CZ3-CE2 3.57Å; W169-Y276 HydrophobicContact CZ3-CE2 3.57Å; Y170-Y276 AromaticContact CE1-CD2 3.88Å; Y170-Y276 HydrophobicContact CE1-CD2 3.88Å; Y170-Y276 HydrophobicContact CE1-CG 4.47Å; F272-Y276 AromaticContact CE1-CD2 3.63Å; F272-Y276 HydrophobicContact CE1-CD2 3.63Å; F272-Y276 AromaticContact CE1-CG 3.96Å; F272-Y276 HydrophobicContact CE1-CG 3.96Å; F272-Y276 AromaticContact CZ-CD2 3.65Å; F272-Y276 HydrophobicContact CZ-CD2 3.65Å; F272-Y276 HydrophobicContact CZ-CE2 4.48Å; F272-Y276 HydrophobicContact CZ-CG 4.36Å; F272-Y276 WeakPolarHBondContact O-CB 3.43Å; F272-Y276 PolarHBondContact O-N 3.41Å; E274-Y276 PolarHBondContact O-N 3.23Å; Y276-S278 PolarHBondContact O-N 3.27Å; Y276-K279 PolarHBondContact O-N 3.48Å; Y276-M280 HydrophobicContact CD1-CB 4.08Å; Y276-M280 HydrophobicContact CD1-CG 4.08Å; Y276-M280 HydrophobicContact CD2-CG 3.94Å; Y276-M280 HydrophobicContact CE1-CB 3.75Å; Y276-M280 HydrophobicContact CE1-CG 3.79Å; Y276-M280 HydrophobicContact CE2-CG 3.67Å; Y276-M280 HydrophobicContact CG-CG 4.15Å; Y276-M280 VanDerWaalsContact O-CB 3.3Å; Y276-M280 WeakPolarHBondContact O-CB 3.34Å; Y276-M280 PolarHBondContact O-N 3.37Å; Y276-F287 VanDerWaalsContact OH-CD2 3.25Å; Y276-F287 WeakPolarHBondContact OH-CD2 3.4Å |
| 277 | K | 97.4 | Very high | 97.6 | Very high | 172 Ų | 172 | 73.6 Ų | 73.6 | 75% | 0.748 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -60.5 | -35.5 | 176.4 | -177 | -179.9 | 178.2 | -177.1 | 0 | 112 | D273 E274 D275 | D273-K277 VanDerWaalsContact O-CB 3.31Å; D273-K277 WeakPolarHBondContact O-CB 3.07Å; D273-K277 PolarHBondContact O-N 3.1Å; E274-K277 PolarHBondContact O-N 3.26Å; D275-K277 PolarHBondContact O-N 3.23Å |
| 278 | S | 96.9 | Very high | 97.6 | Very high | 67 Ų | 67 | 74.2 Ų | 74.2 | 47% | 0.469 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -72.4 | -34.9 | 179.2 | 84.2 | 0 | 0 | 0 | 0 | 113 | E274 D275 Y276 K281 | E274-S278 PolarHBondContact O-N 3.17Å; E274-S278 VanDerWaalsContact O-N 3.11Å; D275-S278 WeakPolarHBondContact O-CB 3.34Å; D275-S278 PolarHBondContact O-N 3.41Å; D275-S278 VanDerWaalsContact O-N 3.07Å; D275-S278 PolarHBondContact O-OG 3.34Å; Y276-S278 PolarHBondContact O-N 3.27Å; S278-K281 WeakPolarHBondContact O-CE 3.14Å |
| 279 | K | 97.4 | Very high | 97.5 | Very high | 79 Ų | 79 | 75.5 Ų | 75.5 | 34% | 0.343 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -92 | -37.4 | -175.6 | -69.1 | 178.9 | -176.2 | 153 | 0 | 113.3 | L160 Y170 D275 Y276 K281 | L160-K279 PolarHBondContact O-NZ 2.78Å; Y170-K279 HydrophobicContact CD1-CB 3.69Å; Y170-K279 HydrophobicContact CD1-CD 4.04Å; Y170-K279 HydrophobicContact CD2-CD 3.53Å; Y170-K279 HydrophobicContact CE1-CB 4.16Å; Y170-K279 HydrophobicContact CE1-CD 4.12Å; Y170-K279 HydrophobicContact CE2-CD 3.65Å; Y170-K279 HydrophobicContact CG-CB 3.91Å; Y170-K279 HydrophobicContact CG-CD 3.75Å; Y170-K279 HydrophobicContact CG-CG 4.46Å; D275-K279 PolarHBondContact O-N 3.42Å; D275-K279 WeakPolarHBondContact OD1-CE 3.48Å; D275-K279 IonicContact OD1-NZ 3.38Å; D275-K279 PolarHBondContact OD1-NZ 2.82Å; D275-K279 WeakPolarHBondContact OD2-CD 3.46Å; D275-K279 WeakPolarHBondContact OD2-CE 3.35Å; D275-K279 IonicContact OD2-NZ 2.69Å; D275-K279 PolarHBondContact OD2-NZ 2.89Å; Y276-K279 PolarHBondContact O-N 3.48Å; K279-K281 PolarHBondContact O-N 2.83Å; K279-K281 VanDerWaalsContact O-N 3.15Å |
| 280 | M | 97.5 | Very high | 97.4 | Very high | 30 Ų | 30 | 79.2 Ų | 79.2 | 15% | 0.148 | 39% | 0.387 | C | S | . | . | trans | -90.5 | 75.5 | -178 | -62.8 | -60.7 | -69.3 | 0 | 0 | 111.5 | W169 Y170 V173 Y276 L285 F287 | W169-M280 HydrophobicContact CH2-CE 4.24Å; W169-M280 HydrophobicContact CH2-SD 4.48Å; W169-M280 HydrophobicContact CZ3-CE 4.19Å; W169-M280 HydrophobicContact CZ3-CG 4.23Å; W169-M280 HydrophobicContact CZ3-SD 3.85Å; Y170-M280 HydrophobicContact CD1-CG 3.84Å; Y170-M280 HydrophobicContact CD1-SD 3.9Å; Y170-M280 HydrophobicContact CE1-CG 4.43Å; V173-M280 HydrophobicContact CG2-CE 4.01Å; V173-M280 HydrophobicContact CG2-SD 4.4Å; Y276-M280 HydrophobicContact CD1-CB 4.08Å; Y276-M280 HydrophobicContact CD1-CG 4.08Å; Y276-M280 HydrophobicContact CD2-CG 3.94Å; Y276-M280 HydrophobicContact CE1-CB 3.75Å; Y276-M280 HydrophobicContact CE1-CG 3.79Å; Y276-M280 HydrophobicContact CE2-CG 3.67Å; Y276-M280 HydrophobicContact CG-CG 4.15Å; Y276-M280 VanDerWaalsContact O-CB 3.3Å; Y276-M280 WeakPolarHBondContact O-CB 3.34Å; Y276-M280 PolarHBondContact O-N 3.37Å; M280-L285 HydrophobicContact CE-CD2 3.59Å; M280-L285 HydrophobicContact CE-CG 4.03Å; M280-F287 HydrophobicContact CE-CD2 4.4Å; M280-F287 HydrophobicContact CE-CE2 3.87Å | ||
| 281 | K | 93.8 | Very high | 97.1 | Very high | 175 Ų | 175 | 79.7 Ų | 79.7 | 76% | 0.761 | 39% | 0.392 | S | S | * | . | trans | -85.6 | -17.1 | -175 | -60 | -175.1 | -175.8 | 179.6 | 0 | 114.9 | S278 K279 P283 | S278-K281 WeakPolarHBondContact O-CE 3.14Å; K279-K281 PolarHBondContact O-N 2.83Å; K279-K281 VanDerWaalsContact O-N 3.15Å; K281-P283 VanDerWaalsContact O-CD 3.26Å; K281-P283 WeakPolarHBondContact O-CD 3.2Å | ||
| 282 | D | 95.9 | Very high | 97 | Very high | 54 Ų | 54 | 81.5 Ų | 81.5 | 29% | 0.289 | 39% | 0.393 | S | S | . | . | trans | -78.6 | 110.1 | 178.6 | -175.4 | -18.1 | 0 | 0 | 0 | 109.8 | W177 T284 L285 | W177-D282 VanDerWaalsContact CD1-OD2 3.27Å; W177-D282 PolarHBondContact NE1-OD2 3.09Å; D282-T284 VanDerWaalsContact CG-OG1 3.31Å; D282-T284 PolarHBondContact O-N 3.12Å; D282-T284 VanDerWaalsContact O-N 3.17Å; D282-T284 WeakPolarHBondContact OD1-CB 3.38Å; D282-T284 PolarHBondContact OD1-N 3.32Å; D282-T284 PolarHBondContact OD1-OG1 2.94Å; D282-T284 PolarHBondContact OD2-OG1 3.48Å; D282-L285 PolarHBondContact O-N 3.16Å | ||
| 283 | P | 93.7 | Very high | 96.9 | Very high | 90 Ų | 90 | 85.6 Ų | 85.6 | 58% | 0.584 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -9 | -175.9 | 32.8 | -37.2 | 0 | 0 | 0 | 113.3 | K281 R286 | K281-P283 VanDerWaalsContact O-CD 3.26Å; K281-P283 WeakPolarHBondContact O-CD 3.2Å; P283-R286 PolarHBondContact O-NE 3.28Å |
| 284 | T | 97.1 | Very high | 96.8 | Very high | 77 Ų | 77 | 86.6 Ų | 86.6 | 47% | 0.472 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -17.9 | 179.3 | 71.8 | 0 | 0 | 0 | 0 | 112.9 | W177 D282 | W177-T284 WeakPolarHBondContact CZ2-O 3.09Å; W177-T284 PolarHBondContact NE1-OG1 3.01Å; D282-T284 VanDerWaalsContact CG-OG1 3.31Å; D282-T284 PolarHBondContact O-N 3.12Å; D282-T284 VanDerWaalsContact O-N 3.17Å; D282-T284 WeakPolarHBondContact OD1-CB 3.38Å; D282-T284 PolarHBondContact OD1-N 3.32Å; D282-T284 PolarHBondContact OD1-OG1 2.94Å; D282-T284 PolarHBondContact OD2-OG1 3.48Å |
| 285 | L | 97.9 | Very high | 96.8 | Very high | 7 Ų | 7 | 82.9 Ų | 82.9 | 4% | 0.037 | 40% | 0.399 | C | S | . | . | trans | -96.7 | 101.2 | 173.7 | 179.3 | 56.7 | 0 | 0 | 0 | 109.5 | V173 W177 Y188 F190 M280 D282 F287 | V173-L285 HydrophobicContact CG2-CD2 4.21Å; W177-L285 HydrophobicContact CB-CD1 4.28Å; W177-L285 HydrophobicContact CB-CD2 3.77Å; W177-L285 HydrophobicContact CB-CG 4.46Å; W177-L285 HydrophobicContact CD2-CB 4.17Å; W177-L285 HydrophobicContact CD2-CD1 3.86Å; W177-L285 HydrophobicContact CD2-CG 4.43Å; W177-L285 HydrophobicContact CE3-CD1 3.95Å; W177-L285 HydrophobicContact CG-CB 3.98Å; W177-L285 HydrophobicContact CG-CD1 4.02Å; W177-L285 HydrophobicContact CG-CD2 3.96Å; W177-L285 HydrophobicContact CG-CG 4.2Å; Y188-L285 HydrophobicContact CE1-CD1 4.05Å; F190-L285 HydrophobicContact CE1-CD1 3.78Å; F190-L285 HydrophobicContact CZ-CD1 3.81Å; M280-L285 HydrophobicContact CE-CD2 3.59Å; M280-L285 HydrophobicContact CE-CG 4.03Å; D282-L285 PolarHBondContact O-N 3.16Å; L285-F287 HydrophobicContact CD1-CD2 4.49Å; L285-F287 HydrophobicContact CD1-CE2 3.7Å; L285-F287 HydrophobicContact CD1-CZ 3.95Å; L285-F287 HydrophobicContact CD2-CE2 3.97Å; L285-F287 HydrophobicContact CD2-CZ 4.48Å; L285-F287 HydrophobicContact CG-CD2 4.36Å; L285-F287 HydrophobicContact CG-CE2 3.61Å; L285-F287 HydrophobicContact CG-CZ 4.3Å | ||
| 286 | R | 97.2 | Very high | 96.6 | Very high | 189 Ų | 189 | 86 Ų | 86 | 71% | 0.713 | 41% | 0.413 | S | S | * | . | trans | -120 | 134 | -176.1 | -61.7 | -174.8 | -177.1 | -165.1 | -1.1 | 110.8 | F190 P283 | F190-R286 WeakPolarHBondContact CE1-O 3.43Å; P283-R286 PolarHBondContact O-NE 3.28Å | ||
| 287 | F | 98.6 | Very high | 96.5 | Very high | 29 Ų | 29 | 88.5 Ų | 88.5 | 13% | 0.127 | 43% | 0.428 | C | S | . | . | trans | -112.8 | 145.5 | 177.4 | -69.1 | -92.2 | 0 | 0 | 0 | 109.8 | A126 N128 W169 V173 F190 Y276 M280 L285 | A126-F287 HydrophobicContact CB-CE1 3.46Å; A126-F287 VanDerWaalsContact CB-CE1 3.46Å; A126-F287 HydrophobicContact CB-CZ 3.79Å; N128-F287 HydrophobicContact CB-CB 4.05Å; N128-F287 HydrophobicContact CB-CD1 4.42Å; W169-F287 AromaticContact CH2-CD2 3.9Å; W169-F287 HydrophobicContact CH2-CD2 3.9Å; W169-F287 HydrophobicContact CH2-CE1 4.41Å; W169-F287 AromaticContact CH2-CE2 3.61Å; W169-F287 HydrophobicContact CH2-CE2 3.61Å; W169-F287 HydrophobicContact CH2-CG 4.39Å; W169-F287 AromaticContact CH2-CZ 3.9Å; W169-F287 HydrophobicContact CH2-CZ 3.9Å; W169-F287 HydrophobicContact CZ2-CD1 4.27Å; W169-F287 HydrophobicContact CZ2-CD2 4.29Å; W169-F287 AromaticContact CZ2-CE1 3.87Å; W169-F287 HydrophobicContact CZ2-CE1 3.87Å; W169-F287 AromaticContact CZ2-CE2 3.88Å; W169-F287 HydrophobicContact CZ2-CE2 3.88Å; W169-F287 HydrophobicContact CZ2-CG 4.44Å; W169-F287 AromaticContact CZ2-CZ 3.66Å; W169-F287 HydrophobicContact CZ2-CZ 3.66Å; V173-F287 HydrophobicContact CB-CZ 3.98Å; V173-F287 HydrophobicContact CG1-CZ 4.17Å; V173-F287 HydrophobicContact CG2-CE2 4.13Å; V173-F287 HydrophobicContact CG2-CZ 3.96Å; F190-F287 AromaticContact CD1-CD1 3.94Å; F190-F287 HydrophobicContact CD1-CD1 3.94Å; F190-F287 AromaticContact CD1-CE1 3.91Å; F190-F287 HydrophobicContact CD1-CE1 3.91Å; F190-F287 HydrophobicContact CE1-CD1 4.12Å; F190-F287 AromaticContact CE1-CE1 3.93Å; F190-F287 HydrophobicContact CE1-CE1 3.93Å; F190-F287 HydrophobicContact CE1-CZ 4.19Å; Y276-F287 VanDerWaalsContact OH-CD2 3.25Å; Y276-F287 WeakPolarHBondContact OH-CD2 3.4Å; M280-F287 HydrophobicContact CE-CD2 4.4Å; M280-F287 HydrophobicContact CE-CE2 3.87Å; L285-F287 HydrophobicContact CD1-CD2 4.49Å; L285-F287 HydrophobicContact CD1-CE2 3.7Å; L285-F287 HydrophobicContact CD1-CZ 3.95Å; L285-F287 HydrophobicContact CD2-CE2 3.97Å; L285-F287 HydrophobicContact CD2-CZ 4.48Å; L285-F287 HydrophobicContact CG-CD2 4.36Å; L285-F287 HydrophobicContact CG-CE2 3.61Å; L285-F287 HydrophobicContact CG-CZ 4.3Å | ||
| 288 | R | 98.6 | Very high | 96.5 | Very high | 77 Ų | 77 | 82.5 Ų | 82.5 | 29% | 0.291 | 41% | 0.405 | S | S | . | . | trans | -99.9 | 138.5 | 172.2 | -58.5 | -174.3 | -72.7 | 164.2 | -9.2 | 108.7 | N128 E192 D193 E196 | N128-R288 VanDerWaalsContact CB-O 3.25Å; N128-R288 WeakPolarHBondContact CB-O 3.31Å; N128-R288 PolarHBondContact ND2-O 3.05Å; E192-R288 HydrophobicContact CB-CB 4.31Å; E192-R288 HydrophobicContact CG-CB 4.2Å; E192-R288 VanDerWaalsContact CG-O 3.31Å; E192-R288 WeakPolarHBondContact CG-O 3.46Å; D193-R288 IonicContact OD1-CZ 3.08Å; D193-R288 IonicContact OD1-NE 2.75Å; D193-R288 IonicContact OD1-NH2 3.73Å; D193-R288 PolarHBondContact OD1-NH2 3.25Å; E196-R288 IonicContact OE1-CZ 3.86Å; E196-R288 IonicContact OE1-NH1 3.59Å; E196-R288 PolarHBondContact OE1-NH1 2.97Å; E196-R288 IonicContact OE1-NH2 2.93Å; E196-R288 IonicContact OE2-CZ 3.99Å; E196-R288 IonicContact OE2-NH1 3.88Å; E196-R288 PolarHBondContact OE2-NH1 2.96Å; E196-R288 IonicContact OE2-NH2 3.64Å; E196-R288 PolarHBondContact OE2-NH2 2.84Å | ||
| 289 | T | 98.1 | Very high | 96.4 | Very high | 46 Ų | 46 | 83.7 Ų | 83.7 | 28% | 0.282 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -103.8 | 2.4 | 178.6 | 52.2 | 0 | 0 | 0 | 0 | 112.6 | N128 K130 G258 W260 | N128-T289 HydrophobicContact CB-CG2 4.23Å; K130-T289 HydrophobicContact CD-CG2 4.21Å; G258-T289 WeakPolarHBondContact CA-O 3.26Å; W260-T289 PolarHBondContact NE1-O 3.41Å |
| 290 | E | 95.8 | Very high | 96.4 | Very high | 113 Ų | 113 | 84.1 Ų | 84.1 | 53% | 0.528 | 41% | 0.405 | S | S | . | . | trans | -159.3 | 156.8 | 178.6 | 60.5 | -167.5 | 167.8 | 0 | 0 | 108.9 | K261 | K261-E290 IonicContact NZ-OE2 2.89Å; K261-E290 PolarHBondContact NZ-OE2 3.13Å | ||
| 291 | I | 92.3 | Very high | 96.3 | Very high | 122 Ų | 122 | 89 Ų | 89 | 63% | 0.626 | 43% | 0.428 | S | S | * | . | trans | -134.2 | 0 | 173.6 | 62.5 | -179.9 | 0 | 0 | 0 | 108.9 | E192 A195 E196 V257 | E192-I291 HydrophobicContact CB-CG2 4.27Å; A195-I291 HydrophobicContact CB-CD1 3.84Å; E196-I291 HydrophobicContact CB-CD1 4.42Å; E196-I291 HydrophobicContact CB-CG2 4.41Å; V257-I291 HydrophobicContact CB-CD1 4.22Å; V257-I291 HydrophobicContact CB-CG1 4.11Å; V257-I291 HydrophobicContact CB-CG2 4.32Å; V257-I291 HydrophobicContact CG1-CG2 4.29Å; V257-I291 HydrophobicContact CG2-CD1 3.92Å; V257-I291 HydrophobicContact CG2-CG1 4.32Å; V257-I291 HydrophobicContact CG2-CG2 4.23Å |
Retrieved 291 of 291 residues in 167.2 ms
(Link to these results)