| 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 | 52.1 | Low | 70.4 | Confident | 236 Ų | 236 | 62 Ų | 62 | 100% | 1.163 | 33% | 0.327 | S | S | * | . | 0 | 131.1 | 0 | -72.1 | 172.6 | -172.4 | 0 | 0 | 107.3 | |||||
| 2 | A | 59.6 | Low | 71.4 | Confident | 55 Ų | 55 | 59.6 Ų | 59.6 | 46% | 0.455 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -93.7 | 120.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | D302 | A2-D302 VanDerWaalsContact CB-OD1 3.24Å; A2-D302 WeakPolarHBondContact CB-OD1 3.34Å |
| 3 | G | 64.6 | Low | 72.3 | Confident | 20 Ų | 20 | 55 Ų | 55 | 21% | 0.206 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 133.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | L301 | G3-L301 PolarHBondContact O-N 3.22Å |
| 4 | R | 71.3 | Confident | 73.2 | Confident | 112 Ų | 112 | 52 Ų | 52 | 42% | 0.423 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 138.7 | 168 | -71.3 | -168.2 | -168.2 | 170.7 | 15.7 | 109.1 | E79 | R4-E79 IonicContact CZ-OE1 3.99Å; R4-E79 IonicContact CZ-OE2 3.14Å; R4-E79 IonicContact NH1-OE2 2.73Å; R4-E79 PolarHBondContact NH1-OE2 3.36Å; R4-E79 IonicContact NH2-OE1 3.31Å; R4-E79 PolarHBondContact NH2-OE1 2.84Å; R4-E79 IonicContact NH2-OE2 2.77Å; R4-E79 PolarHBondContact NH2-OE2 3.4Å |
| 5 | L | 69.8 | Low | 74 | Confident | 15 Ų | 15 | 54.5 Ų | 54.5 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -103.1 | 138.7 | 179.3 | -71.2 | 153.8 | 0 | 0 | 0 | 111.1 | D235 M238 V294 W299 L301 | L5-D235 WeakPolarHBondContact CA-OD1 3.4Å; L5-D235 WeakPolarHBondContact CD2-OD1 3.44Å; L5-M238 HydrophobicContact CD2-CB 3.92Å; L5-M238 HydrophobicContact CD2-CG 3.59Å; L5-V294 HydrophobicContact CD1-CG1 3.88Å; L5-W299 HydrophobicContact CB-CB 4.46Å; L5-W299 HydrophobicContact CB-CE3 4.32Å; L5-W299 WeakPolarHBondContact CB-O 3.32Å; L5-W299 PolarHBondContact N-O 3.23Å; L5-L301 HydrophobicContact CD1-CB 4.06Å; L5-L301 HydrophobicContact CD1-CD1 4.06Å |
| 6 | T | 73.8 | Confident | 74.7 | Confident | 58 Ų | 58 | 52.1 Ų | 52.1 | 36% | 0.356 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -82.8 | 137.8 | 167 | 50 | 0 | 0 | 0 | 0 | 110.4 | P9 D235 | T6-P9 WeakPolarHBondContact OG1-CD 3.25Å; T6-D235 WeakPolarHBondContact CB-OD2 3.4Å; T6-D235 VanDerWaalsContact CG2-OD2 3.27Å; T6-D235 WeakPolarHBondContact CG2-OD2 3.31Å; T6-D235 PolarHBondContact N-OD1 3.02Å; T6-D235 PolarHBondContact N-OD2 3.45Å; T6-D235 PolarHBondContact OG1-OD1 3.43Å; T6-D235 PolarHBondContact OG1-OD2 2.98Å |
| 7 | C | 71.5 | Confident | 75.5 | Confident | 23 Ų | 23 | 50 Ų | 50 | 16% | 0.155 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.8 | -35.7 | -173.9 | 174.4 | 0 | 0 | 0 | 0 | 113.5 | F11 W299 | C7-F11 VanDerWaalsContact O-CB 3.27Å; C7-F11 WeakPolarHBondContact O-CB 3.44Å; C7-F11 PolarHBondContact O-N 2.77Å; C7-W299 HydrophobicContact CB-CD2 4.26Å; C7-W299 HydrophobicContact CB-CE3 4.09Å; C7-W299 HydrophobicContact CB-CH2 3.58Å; C7-W299 HydrophobicContact CB-CZ2 3.73Å; C7-W299 HydrophobicContact CB-CZ3 3.79Å; C7-W299 WeakPolarHBondContact SG-CH2 3.45Å; C7-W299 WeakPolarHBondContact SG-CZ2 3.29Å |
| 8 | W | 73.9 | Confident | 76.2 | Confident | 41 Ų | 41 | 48.4 Ų | 48.4 | 16% | 0.155 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68 | -52.3 | -169 | -179.5 | -102.8 | 0 | 0 | 0 | 114.5 | L10 F11 R12 I58 V62 | W8-L10 PolarHBondContact O-N 3.23Å; W8-F11 HydrophobicContact CZ3-CD1 4.45Å; W8-F11 PolarHBondContact O-N 3.32Å; W8-R12 WeakPolarHBondContact O-CB 3.17Å; W8-R12 PolarHBondContact O-N 3.32Å; W8-I58 HydrophobicContact CZ2-CG2 3.93Å; W8-V62 HydrophobicContact CE3-CG1 3.95Å; W8-V62 HydrophobicContact CH2-CB 3.59Å; W8-V62 HydrophobicContact CH2-CG1 3.4Å; W8-V62 HydrophobicContact CH2-CG2 3.52Å; W8-V62 HydrophobicContact CZ2-CB 3.93Å; W8-V62 HydrophobicContact CZ2-CG1 4.2Å; W8-V62 HydrophobicContact CZ2-CG2 3.86Å; W8-V62 HydrophobicContact CZ3-CB 3.91Å; W8-V62 HydrophobicContact CZ3-CG1 3.24Å; W8-V62 HydrophobicContact CZ3-CG2 4.28Å |
| 9 | P | 76.4 | Confident | 76.8 | Confident | 31 Ų | 31 | 50.7 Ų | 50.7 | 20% | 0.201 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.5 | -41.3 | -177.7 | -20.7 | 34.6 | 0 | 0 | 0 | 112 | T6 R12 D13 | T6-P9 WeakPolarHBondContact OG1-CD 3.25Å; P9-R12 PolarHBondContact O-N 3.18Å; P9-D13 VanDerWaalsContact O-CG 3.27Å; P9-D13 PolarHBondContact O-N 3.13Å |
| 10 | L | 78.6 | Confident | 77.4 | Confident | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.5 | -44.9 | 178.8 | -171.1 | 72.9 | 0 | 0 | 0 | 111.6 | W8 R12 D13 C14 M238 V242 V294 W299 | W8-L10 PolarHBondContact O-N 3.23Å; L10-R12 PolarHBondContact O-N 2.96Å; L10-D13 PolarHBondContact O-N 3.25Å; L10-C14 VanDerWaalsContact O-CB 3.31Å; L10-C14 WeakPolarHBondContact O-CB 3.25Å; L10-C14 PolarHBondContact O-N 3.21Å; L10-C14 PolarHBondContact O-SG 3.48Å; L10-M238 HydrophobicContact CD1-CB 4.39Å; L10-M238 HydrophobicContact CD1-CE 4Å; L10-V242 HydrophobicContact CD1-CG2 4.22Å; L10-V294 HydrophobicContact CD2-CB 4.27Å; L10-V294 HydrophobicContact CD2-CG1 3.79Å; L10-V294 HydrophobicContact CD2-CG2 4.37Å; L10-W299 HydrophobicContact CB-CZ3 4.38Å; L10-W299 HydrophobicContact CD2-CZ3 3.79Å |
| 11 | F | 82.7 | Confident | 77.9 | Confident | 86 Ų | 86 | 46 Ų | 46 | 38% | 0.377 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.9 | -44.2 | 177.8 | 176.6 | -102.5 | 0 | 0 | 0 | 111.9 | C7 W8 L15 F291 | C7-F11 VanDerWaalsContact O-CB 3.27Å; C7-F11 WeakPolarHBondContact O-CB 3.44Å; C7-F11 PolarHBondContact O-N 2.77Å; W8-F11 HydrophobicContact CZ3-CD1 4.45Å; W8-F11 PolarHBondContact O-N 3.32Å; F11-L15 HydrophobicContact CE1-CD2 4.29Å; F11-L15 WeakPolarHBondContact O-CB 3.41Å; F11-L15 PolarHBondContact O-N 3.46Å; F11-F291 HydrophobicContact CB-CE2 4.25Å; F11-F291 AromaticContact CD2-CE2 3.92Å; F11-F291 HydrophobicContact CD2-CE2 3.92Å; F11-F291 AromaticContact CD2-CZ 3.87Å; F11-F291 HydrophobicContact CD2-CZ 3.87Å |
| 12 | R | 82.3 | Confident | 79.5 | Confident | 33 Ų | 33 | 37.2 Ų | 37.2 | 13% | 0.125 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.5 | -49.4 | 175.9 | 178.9 | -157.5 | 69 | -154.8 | 0.4 | 111.4 | W8 P9 L10 L15 A16 D55 | W8-R12 WeakPolarHBondContact O-CB 3.17Å; W8-R12 PolarHBondContact O-N 3.32Å; P9-R12 PolarHBondContact O-N 3.18Å; L10-R12 PolarHBondContact O-N 2.96Å; R12-L15 PolarHBondContact O-N 2.83Å; R12-A16 WeakPolarHBondContact O-CB 3.38Å; R12-A16 PolarHBondContact O-N 3.35Å; R12-D55 VanDerWaalsContact CD-OD1 3.29Å; R12-D55 WeakPolarHBondContact CD-OD1 3.28Å; R12-D55 IonicContact CZ-OD1 3.69Å; R12-D55 IonicContact NE-OD1 3.89Å; R12-D55 IonicContact NH1-OD1 2.72Å; R12-D55 PolarHBondContact NH1-OD1 2.96Å; R12-D55 IonicContact NH1-OD2 2.87Å; R12-D55 PolarHBondContact NH1-OD2 3.39Å |
| 13 | D | 83.3 | Confident | 80.8 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.7 | -40.3 | -176.5 | -65.5 | -19.7 | 0 | 0 | 0 | 111.5 | P9 L10 L15 A16 Y17 S239 V242 | P9-D13 VanDerWaalsContact O-CG 3.27Å; P9-D13 PolarHBondContact O-N 3.13Å; L10-D13 PolarHBondContact O-N 3.25Å; D13-L15 PolarHBondContact O-N 2.93Å; D13-A16 PolarHBondContact O-N 3.38Å; D13-Y17 WeakPolarHBondContact O-CB 3.47Å; D13-Y17 PolarHBondContact O-N 3.47Å; D13-S239 WeakPolarHBondContact OD2-CB 3.38Å; D13-S239 PolarHBondContact OD2-OG 3.4Å; D13-V242 HydrophobicContact CB-CB 4.1Å; D13-V242 HydrophobicContact CB-CG1 3.68Å |
| 14 | C | 84.9 | Confident | 81.9 | Confident | 13 Ų | 13 | 35.2 Ų | 35.2 | 9% | 0.088 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.1 | -37.9 | 172.8 | -69.6 | 0 | 0 | 0 | 0 | 112.5 | L10 Y17 G18 I287 F291 | L10-C14 VanDerWaalsContact O-CB 3.31Å; L10-C14 WeakPolarHBondContact O-CB 3.25Å; L10-C14 PolarHBondContact O-N 3.21Å; L10-C14 PolarHBondContact O-SG 3.48Å; C14-Y17 PolarHBondContact O-N 2.76Å; C14-G18 PolarHBondContact O-N 3.27Å; C14-I287 HydrophobicContact CB-CD1 4.38Å; C14-I287 HydrophobicContact CB-CG1 4.22Å; C14-F291 HydrophobicContact CB-CD2 4.34Å |
| 15 | L | 86.1 | Confident | 82.5 | Confident | 89 Ų | 89 | 32.2 Ų | 32.2 | 47% | 0.466 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -67 | -46.3 | 176.2 | -179.5 | 68.1 | 0 | 0 | 0 | 110.9 | F11 R12 D13 Y17 G18 I19 | F11-L15 HydrophobicContact CE1-CD2 4.29Å; F11-L15 WeakPolarHBondContact O-CB 3.41Å; F11-L15 PolarHBondContact O-N 3.46Å; R12-L15 PolarHBondContact O-N 2.83Å; D13-L15 PolarHBondContact O-N 2.93Å; L15-Y17 VanDerWaalsContact C-N 3.29Å; L15-Y17 PolarHBondContact O-N 3.34Å; L15-G18 PolarHBondContact O-N 2.91Å; L15-I19 HydrophobicContact CD1-CD1 4.31Å; L15-I19 HydrophobicContact CG-CD1 4.02Å; L15-I19 WeakPolarHBondContact O-CG1 3.14Å; L15-I19 PolarHBondContact O-N 3.5Å |
| 16 | A | 85.1 | Confident | 83.3 | Confident | 17 Ų | 17 | 33.9 Ų | 33.9 | 14% | 0.14 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60 | -41.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R12 D13 I19 S20 Y48 V246 | R12-A16 WeakPolarHBondContact O-CB 3.38Å; R12-A16 PolarHBondContact O-N 3.35Å; D13-A16 PolarHBondContact O-N 3.38Å; A16-I19 PolarHBondContact O-N 3.24Å; A16-S20 WeakPolarHBondContact O-CB 3.41Å; A16-S20 PolarHBondContact O-N 3.24Å; A16-S20 PolarHBondContact O-OG 3.15Å; A16-Y48 HydrophobicContact CB-CD2 3.7Å; A16-Y48 HydrophobicContact CB-CE2 3.6Å; A16-V246 HydrophobicContact CB-CG1 4.44Å |
| 17 | Y | 87.8 | Confident | 83.8 | Confident | 16 Ų | 16 | 32 Ų | 32 | 6% | 0.063 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.3 | -49.9 | 173.2 | -169.9 | -80.4 | 0 | 0 | 0 | 112 | D13 C14 L15 I19 S20 V21 N245 V246 I287 | D13-Y17 WeakPolarHBondContact O-CB 3.47Å; D13-Y17 PolarHBondContact O-N 3.47Å; C14-Y17 PolarHBondContact O-N 2.76Å; L15-Y17 VanDerWaalsContact C-N 3.29Å; L15-Y17 PolarHBondContact O-N 3.34Å; Y17-I19 VanDerWaalsContact C-N 3.33Å; Y17-I19 PolarHBondContact O-N 3.44Å; Y17-S20 PolarHBondContact O-N 2.94Å; Y17-S20 VanDerWaalsContact O-N 3.13Å; Y17-V21 HydrophobicContact CD1-CG2 3.77Å; Y17-V21 HydrophobicContact CE1-CG2 3.4Å; Y17-V21 WeakPolarHBondContact O-CG2 3.19Å; Y17-V21 PolarHBondContact O-N 3.04Å; Y17-N245 HydrophobicContact CD2-CB 4.18Å; Y17-N245 HydrophobicContact CE2-CB 3.62Å; Y17-V246 HydrophobicContact CD2-CG2 3.69Å; Y17-V246 HydrophobicContact CG-CG2 4.12Å; Y17-I287 HydrophobicContact CD1-CB 3.83Å; Y17-I287 HydrophobicContact CD1-CG1 3.86Å; Y17-I287 HydrophobicContact CD1-CG2 3.67Å; Y17-I287 HydrophobicContact CE1-CB 3.92Å; Y17-I287 HydrophobicContact CE1-CG1 4.4Å; Y17-I287 HydrophobicContact CE1-CG2 3.84Å; Y17-I287 HydrophobicContact CG-CG1 4.23Å |
| 18 | G | 87.9 | Confident | 84.4 | Confident | 22 Ų | 22 | 31 Ų | 31 | 23% | 0.227 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.1 | -42.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | C14 L15 A22 | C14-G18 PolarHBondContact O-N 3.27Å; L15-G18 PolarHBondContact O-N 2.91Å; G18-A22 VanDerWaalsContact O-CB 3.31Å; G18-A22 WeakPolarHBondContact O-CB 3.38Å; G18-A22 PolarHBondContact O-N 3Å |
| 19 | I | 87.8 | Confident | 84.7 | Confident | 92 Ų | 92 | 33 Ų | 33 | 47% | 0.472 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.5 | -43.7 | 174.9 | -67.7 | 167.1 | 0 | 0 | 0 | 110.8 | L15 A16 Y17 A22 A23 | L15-I19 HydrophobicContact CD1-CD1 4.31Å; L15-I19 HydrophobicContact CG-CD1 4.02Å; L15-I19 WeakPolarHBondContact O-CG1 3.14Å; L15-I19 PolarHBondContact O-N 3.5Å; A16-I19 PolarHBondContact O-N 3.24Å; Y17-I19 VanDerWaalsContact C-N 3.33Å; Y17-I19 PolarHBondContact O-N 3.44Å; I19-A22 PolarHBondContact O-N 2.96Å; I19-A23 WeakPolarHBondContact O-CB 3.39Å; I19-A23 PolarHBondContact O-N 3.49Å |
| 20 | S | 88 | Confident | 85 | Confident | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.2 | -44.6 | -179.3 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | A16 Y17 A23 V24 | A16-S20 WeakPolarHBondContact O-CB 3.41Å; A16-S20 PolarHBondContact O-N 3.24Å; A16-S20 PolarHBondContact O-OG 3.15Å; Y17-S20 PolarHBondContact O-N 2.94Å; Y17-S20 VanDerWaalsContact O-N 3.13Å; S20-A23 PolarHBondContact O-N 3.33Å; S20-V24 WeakPolarHBondContact O-CG2 3.39Å; S20-V24 PolarHBondContact O-N 2.86Å; S20-V24 VanDerWaalsContact O-N 3.09Å |
| 21 | V | 87.7 | Confident | 85.1 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.5 | -43.1 | 176.3 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | Y17 A23 V24 I25 L284 | Y17-V21 HydrophobicContact CD1-CG2 3.77Å; Y17-V21 HydrophobicContact CE1-CG2 3.4Å; Y17-V21 WeakPolarHBondContact O-CG2 3.19Å; Y17-V21 PolarHBondContact O-N 3.04Å; V21-A23 VanDerWaalsContact C-N 3.32Å; V21-A23 PolarHBondContact O-N 3.36Å; V21-V24 PolarHBondContact O-N 3.41Å; V21-I25 HydrophobicContact CG1-CD1 3.78Å; V21-I25 HydrophobicContact CG1-CG1 4.3Å; V21-I25 VanDerWaalsContact O-CG1 3.31Å; V21-I25 WeakPolarHBondContact O-CG1 3.4Å; V21-I25 PolarHBondContact O-N 3.41Å; V21-L284 HydrophobicContact CG1-CB 3.98Å; V21-L284 HydrophobicContact CG1-CD1 4.23Å |
| 22 | A | 87 | Confident | 85.2 | Confident | 51 Ų | 51 | 37.8 Ų | 37.8 | 42% | 0.421 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.7 | -39.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G18 I19 I25 G26 | G18-A22 VanDerWaalsContact O-CB 3.31Å; G18-A22 WeakPolarHBondContact O-CB 3.38Å; G18-A22 PolarHBondContact O-N 3Å; I19-A22 PolarHBondContact O-N 2.96Å; A22-I25 PolarHBondContact O-N 3.2Å; A22-G26 PolarHBondContact O-N 3.06Å |
| 23 | A | 87.1 | Confident | 85.4 | Confident | 30 Ų | 30 | 36.2 Ų | 36.2 | 25% | 0.248 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.4 | -44.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | I19 S20 V21 G26 I27 L41 | I19-A23 WeakPolarHBondContact O-CB 3.39Å; I19-A23 PolarHBondContact O-N 3.49Å; S20-A23 PolarHBondContact O-N 3.33Å; V21-A23 VanDerWaalsContact C-N 3.32Å; V21-A23 PolarHBondContact O-N 3.36Å; A23-G26 PolarHBondContact O-N 3.33Å; A23-I27 WeakPolarHBondContact O-CG1 3.42Å; A23-I27 PolarHBondContact O-N 3.16Å; A23-L41 HydrophobicContact CB-CD2 4.16Å |
| 24 | V | 86.1 | Confident | 85.6 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.8 | -40.1 | 178.6 | 174.7 | 0 | 0 | 0 | 0 | 112.1 | S20 V21 G26 I27 I28 L41 M249 W256 | S20-V24 WeakPolarHBondContact O-CG2 3.39Å; S20-V24 PolarHBondContact O-N 2.86Å; S20-V24 VanDerWaalsContact O-N 3.09Å; V21-V24 PolarHBondContact O-N 3.41Å; V24-G26 VanDerWaalsContact C-N 3.28Å; V24-G26 PolarHBondContact O-N 2.93Å; V24-I27 PolarHBondContact O-N 3.09Å; V24-I28 HydrophobicContact CG1-CD1 3.27Å; V24-I28 HydrophobicContact CG1-CG1 4.14Å; V24-I28 WeakPolarHBondContact O-CB 3.14Å; V24-I28 WeakPolarHBondContact O-CD1 3.04Å; V24-I28 WeakPolarHBondContact O-CG1 3.32Å; V24-I28 PolarHBondContact O-N 3.14Å; V24-L41 HydrophobicContact CG2-CD1 4.19Å; V24-L41 HydrophobicContact CG2-CD2 3.56Å; V24-M249 HydrophobicContact CB-CE 3.41Å; V24-M249 VanDerWaalsContact CB-CE 3.41Å; V24-M249 HydrophobicContact CG1-CE 3.23Å; V24-M249 HydrophobicContact CG2-CE 3.49Å; V24-M249 VanDerWaalsContact CG2-CE 3.49Å; V24-M249 HydrophobicContact CG2-CG 4.13Å; V24-W256 HydrophobicContact CG1-CH2 4.41Å |
| 25 | I | 85.5 | Confident | 85.7 | Confident | 50 Ų | 50 | 45.5 Ų | 45.5 | 26% | 0.256 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -57.6 | -44.5 | 172.6 | -69.9 | 167.9 | 0 | 0 | 0 | 110.6 | V21 A22 I27 I28 S29 S280 L284 | V21-I25 HydrophobicContact CG1-CD1 3.78Å; V21-I25 HydrophobicContact CG1-CG1 4.3Å; V21-I25 VanDerWaalsContact O-CG1 3.31Å; V21-I25 WeakPolarHBondContact O-CG1 3.4Å; V21-I25 PolarHBondContact O-N 3.41Å; A22-I25 PolarHBondContact O-N 3.2Å; I25-I27 VanDerWaalsContact C-N 3.34Å; I25-I27 PolarHBondContact O-N 3.27Å; I25-I28 PolarHBondContact O-N 2.83Å; I25-S29 PolarHBondContact O-N 3.45Å; I25-S29 VanDerWaalsContact O-N 3.14Å; I25-S280 WeakPolarHBondContact CG1-OG 3.41Å; I25-L284 HydrophobicContact CD1-CD1 4.49Å |
| 26 | G | 84.9 | Confident | 85.8 | Confident | 50 Ų | 50 | 46.9 Ų | 46.9 | 52% | 0.515 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.8 | -43 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A22 A23 V24 | A22-G26 PolarHBondContact O-N 3.06Å; A23-G26 PolarHBondContact O-N 3.33Å; V24-G26 VanDerWaalsContact C-N 3.28Å; V24-G26 PolarHBondContact O-N 2.93Å |
| 27 | I | 85.3 | Confident | 86 | Confident | 17 Ų | 17 | 47.3 Ų | 47.3 | 9% | 0.087 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -72.6 | -32 | -179.3 | -69.9 | 167.6 | 0 | 0 | 0 | 112.6 | A23 V24 I25 S29 V33 E37 L41 W256 | A23-I27 WeakPolarHBondContact O-CG1 3.42Å; A23-I27 PolarHBondContact O-N 3.16Å; V24-I27 PolarHBondContact O-N 3.09Å; I25-I27 VanDerWaalsContact C-N 3.34Å; I25-I27 PolarHBondContact O-N 3.27Å; I27-S29 VanDerWaalsContact C-N 3.34Å; I27-V33 HydrophobicContact CG2-CG1 4.06Å; I27-V33 HydrophobicContact CG2-CG2 4.03Å; I27-E37 HydrophobicContact CD1-CB 4.27Å; I27-E37 WeakPolarHBondContact CD1-O 3.27Å; I27-E37 HydrophobicContact CG1-CB 4.08Å; I27-E37 HydrophobicContact CG1-CG 4.19Å; I27-E37 HydrophobicContact CG2-CB 3.87Å; I27-E37 HydrophobicContact CG2-CG 4.39Å; I27-L41 HydrophobicContact CD1-CD1 3.74Å; I27-L41 HydrophobicContact CD1-CD2 3.74Å; I27-L41 HydrophobicContact CD1-CG 3.42Å; I27-L41 VanDerWaalsContact CD1-CG 3.42Å; I27-W256 HydrophobicContact CG2-CZ3 4.23Å |
| 28 | I | 83.2 | Confident | 86 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -82.5 | -15.9 | 179.9 | -66.7 | 161.7 | 0 | 0 | 0 | 111.7 | V24 I25 D30 N31 W256 V271 L276 | V24-I28 HydrophobicContact CG1-CD1 3.27Å; V24-I28 HydrophobicContact CG1-CG1 4.14Å; V24-I28 WeakPolarHBondContact O-CB 3.14Å; V24-I28 WeakPolarHBondContact O-CD1 3.04Å; V24-I28 WeakPolarHBondContact O-CG1 3.32Å; V24-I28 PolarHBondContact O-N 3.14Å; I25-I28 PolarHBondContact O-N 2.83Å; I28-D30 PolarHBondContact O-N 2.7Å; I28-D30 VanDerWaalsContact O-N 3.09Å; I28-N31 PolarHBondContact O-N 2.87Å; I28-W256 HydrophobicContact CD1-CH2 4.01Å; I28-W256 HydrophobicContact CG1-CH2 3.91Å; I28-V271 HydrophobicContact CG2-CG1 4.45Å; I28-L276 HydrophobicContact CD1-CD2 3.53Å; I28-L276 HydrophobicContact CD1-CG 4.01Å; I28-L276 HydrophobicContact CG1-CD2 4.1Å; I28-L276 HydrophobicContact CG2-CB 4.26Å; I28-L276 HydrophobicContact CG2-CD2 3.92Å; I28-L276 HydrophobicContact CG2-CG 4.41Å |
| 29 | S | 81.4 | Confident | 86.1 | Confident | 81 Ų | 81 | 46.9 Ų | 46.9 | 57% | 0.566 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -25.3 | -169.7 | -174.5 | 0 | 0 | 0 | 0 | 114.6 | I25 I27 | I25-S29 PolarHBondContact O-N 3.45Å; I25-S29 VanDerWaalsContact O-N 3.14Å; I27-S29 VanDerWaalsContact C-N 3.34Å |
| 30 | D | 83.1 | Confident | 86.1 | Confident | 72 Ų | 72 | 45.6 Ų | 45.6 | 39% | 0.385 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 5.6 | -178.8 | 64.7 | -5.4 | 0 | 0 | 0 | 113.5 | I28 K32 | I28-D30 PolarHBondContact O-N 2.7Å; I28-D30 VanDerWaalsContact O-N 3.09Å; D30-K32 PolarHBondContact O-N 3.33Å; D30-K32 PolarHBondContact OD1-N 3.13Å |
| 31 | N | 80.9 | Confident | 86.1 | Confident | 61 Ų | 61 | 45.5 Ų | 45.5 | 33% | 0.326 | 25% | 0.254 | S | S | . | . | S | Bend | trans | 61.3 | 7.9 | -174.6 | -57.8 | -88.5 | 0 | 0 | 0 | 114.7 | I28 E270 V271 S273 | I28-N31 PolarHBondContact O-N 2.87Å; N31-E270 CarbonylContact O-C 3.6Å; N31-E270 VanDerWaalsContact O-CA 3.31Å; N31-E270 WeakPolarHBondContact O-CA 3.23Å; N31-V271 WeakPolarHBondContact CA-O 3.42Å; N31-V271 WeakPolarHBondContact CB-O 3.21Å; N31-V271 PolarHBondContact O-N 3.23Å; N31-V271 PolarHBondContact OD1-O 3.39Å; N31-V271 VanDerWaalsContact OD1-O 3.06Å; N31-S273 PolarHBondContact ND2-OG 3.05Å; N31-S273 WeakPolarHBondContact OD1-CB 3.44Å; N31-S273 PolarHBondContact OD1-N 2.92Å; N31-S273 PolarHBondContact OD1-OG 3.42Å |
| 32 | K | 84.3 | Confident | 86.2 | Confident | 90 Ų | 90 | 47.8 Ų | 47.8 | 39% | 0.391 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 103.2 | -168.1 | -74.1 | -175.6 | 179.4 | -178.1 | 0 | 110.2 | D30 F34 P268 | D30-K32 PolarHBondContact O-N 3.33Å; D30-K32 PolarHBondContact OD1-N 3.13Å; K32-F34 HydrophobicContact CB-CE2 4.18Å; K32-P268 HydrophobicContact CB-CB 3.9Å; K32-P268 HydrophobicContact CB-CG 4.37Å; K32-P268 HydrophobicContact CD-CB 4.49Å; K32-P268 HydrophobicContact CD-CG 4.06Å; K32-P268 HydrophobicContact CG-CB 4.24Å; K32-P268 HydrophobicContact CG-CG 4.24Å |
| 33 | V | 85.4 | Confident | 86.4 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 116.3 | 179 | -174.4 | 0 | 0 | 0 | 0 | 110 | I27 E37 A38 W256 V269 V271 | I27-V33 HydrophobicContact CG2-CG1 4.06Å; I27-V33 HydrophobicContact CG2-CG2 4.03Å; V33-E37 WeakPolarHBondContact CA-OE2 3.49Å; V33-E37 HydrophobicContact CG1-CB 4.47Å; V33-A38 HydrophobicContact CG1-CB 4.41Å; V33-W256 HydrophobicContact CG1-CB 4.32Å; V33-W256 HydrophobicContact CG1-CD2 4.21Å; V33-W256 HydrophobicContact CG1-CE3 3.88Å; V33-W256 HydrophobicContact CG1-CG 4.43Å; V33-W256 HydrophobicContact CG2-CE3 4.3Å; V33-W256 HydrophobicContact CG2-CZ3 4.33Å; V33-V269 PolarHBondContact N-O 3.23Å; V33-V269 PolarHBondContact O-N 2.91Å; V33-V269 VanDerWaalsContact O-N 3.16Å; V33-V271 HydrophobicContact CG2-CG2 3.84Å |
| 34 | F | 87.6 | Confident | 86.4 | Confident | 73 Ų | 73 | 51 Ų | 51 | 32% | 0.32 | 27% | 0.272 | S | S | . | . | trans | -91.4 | 163.1 | 171.9 | -65.2 | -86.7 | 0 | 0 | 0 | 112.2 | K32 Y36 E37 A38 P268 | K32-F34 HydrophobicContact CB-CE2 4.18Å; F34-Y36 VanDerWaalsContact C-N 3.28Å; F34-Y36 HydrophobicContact CB-CD1 3.73Å; F34-Y36 HydrophobicContact CB-CE1 3.3Å; F34-Y36 HydrophobicContact CB-CE2 4.39Å; F34-Y36 HydrophobicContact CB-CG 4.43Å; F34-Y36 HydrophobicContact CD1-CE1 4.24Å; F34-Y36 HydrophobicContact CD2-CE1 4.15Å; F34-Y36 AromaticContact CD2-CZ 3.91Å; F34-Y36 VanDerWaalsContact CD2-OH 3.23Å; F34-Y36 WeakPolarHBondContact CD2-OH 3.26Å; F34-Y36 AromaticContact CG-CE1 3.66Å; F34-Y36 HydrophobicContact CG-CE1 3.66Å; F34-Y36 AromaticContact CG-CZ 3.89Å; F34-Y36 PolarHBondContact O-N 3.44Å; F34-E37 PolarHBondContact N-OE2 3.21Å; F34-E37 WeakPolarHBondContact O-CB 3.43Å; F34-E37 PolarHBondContact O-N 3.49Å; F34-A38 PolarHBondContact O-N 2.96Å; F34-A38 VanDerWaalsContact O-N 3.09Å; F34-P268 HydrophobicContact CD1-CB 4.25Å; F34-P268 HydrophobicContact CE1-CB 4Å; F34-P268 HydrophobicContact CE1-CG 4.3Å; F34-P268 HydrophobicContact CZ-CB 4.16Å; F34-P268 HydrophobicContact CZ-CG 4.4Å | ||
| 35 | W | 88.4 | Confident | 86.4 | Confident | 136 Ų | 136 | 53.4 Ų | 53.4 | 52% | 0.515 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.4 | -33.9 | -178.9 | 73.6 | -90.9 | 0 | 0 | 0 | 113.4 | A39 F257 T260 | W35-A39 VanDerWaalsContact O-CB 3.29Å; W35-A39 WeakPolarHBondContact O-CB 3.26Å; W35-A39 PolarHBondContact O-N 3.28Å; W35-F257 HydrophobicContact CE3-CE2 4.5Å; W35-T260 VanDerWaalsContact CA-OG1 3.31Å; W35-T260 WeakPolarHBondContact CA-OG1 3.22Å |
| 36 | Y | 88.3 | Confident | 86.5 | Confident | 117 Ų | 117 | 52.5 Ų | 52.5 | 46% | 0.459 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -73.8 | -30.4 | 179.6 | 63.2 | -99.2 | 0 | 0 | 0 | 112 | F34 C40 | F34-Y36 VanDerWaalsContact C-N 3.28Å; F34-Y36 HydrophobicContact CB-CD1 3.73Å; F34-Y36 HydrophobicContact CB-CE1 3.3Å; F34-Y36 HydrophobicContact CB-CE2 4.39Å; F34-Y36 HydrophobicContact CB-CG 4.43Å; F34-Y36 HydrophobicContact CD1-CE1 4.24Å; F34-Y36 HydrophobicContact CD2-CE1 4.15Å; F34-Y36 AromaticContact CD2-CZ 3.91Å; F34-Y36 VanDerWaalsContact CD2-OH 3.23Å; F34-Y36 WeakPolarHBondContact CD2-OH 3.26Å; F34-Y36 AromaticContact CG-CE1 3.66Å; F34-Y36 HydrophobicContact CG-CE1 3.66Å; F34-Y36 AromaticContact CG-CZ 3.89Å; F34-Y36 PolarHBondContact O-N 3.44Å; Y36-C40 WeakPolarHBondContact O-CB 3.41Å; Y36-C40 PolarHBondContact O-N 2.86Å |
| 37 | E | 88.6 | Confident | 86.6 | Confident | 26 Ų | 26 | 53.9 Ų | 53.9 | 12% | 0.121 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69.8 | -44.7 | 172.6 | -80.4 | 147.6 | -161.4 | 0 | 0 | 110.9 | I27 V33 F34 A39 C40 L41 | I27-E37 HydrophobicContact CD1-CB 4.27Å; I27-E37 WeakPolarHBondContact CD1-O 3.27Å; I27-E37 HydrophobicContact CG1-CB 4.08Å; I27-E37 HydrophobicContact CG1-CG 4.19Å; I27-E37 HydrophobicContact CG2-CB 3.87Å; I27-E37 HydrophobicContact CG2-CG 4.39Å; V33-E37 WeakPolarHBondContact CA-OE2 3.49Å; V33-E37 HydrophobicContact CG1-CB 4.47Å; F34-E37 PolarHBondContact N-OE2 3.21Å; F34-E37 WeakPolarHBondContact O-CB 3.43Å; F34-E37 PolarHBondContact O-N 3.49Å; E37-A39 VanDerWaalsContact C-N 3.32Å; E37-A39 PolarHBondContact O-N 2.84Å; E37-C40 VanDerWaalsContact O-CB 3.26Å; E37-C40 WeakPolarHBondContact O-CB 3.07Å; E37-C40 PolarHBondContact O-N 3.09Å; E37-C40 VanDerWaalsContact O-N 3.12Å; E37-L41 PolarHBondContact O-N 3.41Å; E37-L41 VanDerWaalsContact O-N 3.16Å |
| 38 | A | 87.3 | Confident | 86.6 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.6 | -39.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V33 F34 C40 L41 L42 W256 F257 | V33-A38 HydrophobicContact CG1-CB 4.41Å; F34-A38 PolarHBondContact O-N 2.96Å; F34-A38 VanDerWaalsContact O-N 3.09Å; A38-C40 VanDerWaalsContact C-N 3.31Å; A38-C40 PolarHBondContact O-N 2.93Å; A38-L41 PolarHBondContact O-N 3.12Å; A38-L42 PolarHBondContact O-N 3.07Å; A38-W256 HydrophobicContact CB-CB 3.9Å; A38-F257 HydrophobicContact CB-CB 3.86Å; A38-F257 HydrophobicContact CB-CD2 4.46Å |
| 39 | A | 89.4 | Confident | 86.6 | Confident | 29 Ų | 29 | 57.6 Ų | 57.6 | 24% | 0.24 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.8 | -33.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | W35 E37 L42 L43 F257 | W35-A39 VanDerWaalsContact O-CB 3.29Å; W35-A39 WeakPolarHBondContact O-CB 3.26Å; W35-A39 PolarHBondContact O-N 3.28Å; E37-A39 VanDerWaalsContact C-N 3.32Å; E37-A39 PolarHBondContact O-N 2.84Å; A39-L42 PolarHBondContact O-N 3.41Å; A39-L43 PolarHBondContact O-N 3.29Å; A39-F257 HydrophobicContact CB-CD2 3.99Å; A39-F257 HydrophobicContact CB-CE2 3.91Å |
| 40 | C | 89.4 | Confident | 86.7 | Confident | 66 Ų | 66 | 57.4 Ų | 57.4 | 45% | 0.446 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 174.3 | -170.9 | 0 | 0 | 0 | 0 | 111.3 | Y36 E37 A38 L42 L43 V44 | Y36-C40 WeakPolarHBondContact O-CB 3.41Å; Y36-C40 PolarHBondContact O-N 2.86Å; E37-C40 VanDerWaalsContact O-CB 3.26Å; E37-C40 WeakPolarHBondContact O-CB 3.07Å; E37-C40 PolarHBondContact O-N 3.09Å; E37-C40 VanDerWaalsContact O-N 3.12Å; A38-C40 VanDerWaalsContact C-N 3.31Å; A38-C40 PolarHBondContact O-N 2.93Å; C40-L42 VanDerWaalsContact C-N 3.34Å; C40-L42 PolarHBondContact O-N 2.74Å; C40-L43 WeakPolarHBondContact O-CB 3.49Å; C40-L43 PolarHBondContact O-N 2.89Å; C40-L43 VanDerWaalsContact O-N 3.13Å; C40-V44 WeakPolarHBondContact O-CG2 3.48Å; C40-V44 PolarHBondContact O-N 2.89Å |
| 41 | L | 87.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 174.2 | -71.9 | 170.8 | 0 | 0 | 0 | 112.3 | A23 V24 I27 E37 A38 L43 V44 Y45 W256 | A23-L41 HydrophobicContact CB-CD2 4.16Å; V24-L41 HydrophobicContact CG2-CD1 4.19Å; V24-L41 HydrophobicContact CG2-CD2 3.56Å; I27-L41 HydrophobicContact CD1-CD1 3.74Å; I27-L41 HydrophobicContact CD1-CD2 3.74Å; I27-L41 HydrophobicContact CD1-CG 3.42Å; I27-L41 VanDerWaalsContact CD1-CG 3.42Å; E37-L41 PolarHBondContact O-N 3.41Å; E37-L41 VanDerWaalsContact O-N 3.16Å; A38-L41 PolarHBondContact O-N 3.12Å; L41-L43 VanDerWaalsContact C-N 3.31Å; L41-L43 PolarHBondContact O-N 2.88Å; L41-V44 PolarHBondContact O-N 3Å; L41-Y45 PolarHBondContact O-N 3.42Å; L41-W256 HydrophobicContact CD1-CE3 3.91Å; L41-W256 HydrophobicContact CD1-CZ3 3.82Å |
| 42 | L | 89.6 | Confident | 86.3 | Confident | 48 Ų | 48 | 57.8 Ų | 57.8 | 25% | 0.251 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65 | -34.3 | 174.7 | -66.3 | 178.1 | 0 | 0 | 0 | 112.5 | A38 A39 C40 Y45 G46 L254 F257 | A38-L42 PolarHBondContact O-N 3.07Å; A39-L42 PolarHBondContact O-N 3.41Å; C40-L42 VanDerWaalsContact C-N 3.34Å; C40-L42 PolarHBondContact O-N 2.74Å; L42-Y45 WeakPolarHBondContact O-CB 3.32Å; L42-Y45 PolarHBondContact O-N 3.07Å; L42-G46 PolarHBondContact O-N 2.86Å; L42-L254 HydrophobicContact CD2-CB 4.02Å; L42-F257 HydrophobicContact CD1-CB 3.79Å; L42-F257 HydrophobicContact CD1-CD1 3.81Å; L42-F257 HydrophobicContact CD1-CD2 4.24Å; L42-F257 HydrophobicContact CD1-CE1 4.48Å; L42-F257 HydrophobicContact CD1-CG 3.67Å |
| 43 | L | 90.2 | Very high | 86 | Confident | 114 Ų | 114 | 57.9 Ų | 57.9 | 60% | 0.597 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -66.4 | -47.6 | 174.1 | -171.1 | 163.5 | 0 | 0 | 0 | 110.7 | A39 C40 L41 Y45 G46 V47 | A39-L43 PolarHBondContact O-N 3.29Å; C40-L43 WeakPolarHBondContact O-CB 3.49Å; C40-L43 PolarHBondContact O-N 2.89Å; C40-L43 VanDerWaalsContact O-N 3.13Å; L41-L43 VanDerWaalsContact C-N 3.31Å; L41-L43 PolarHBondContact O-N 2.88Å; L43-Y45 PolarHBondContact O-N 3.38Å; L43-G46 PolarHBondContact O-N 2.73Å; L43-V47 HydrophobicContact CD2-CG2 3.76Å; L43-V47 WeakPolarHBondContact O-CG2 3.3Å; L43-V47 PolarHBondContact O-N 2.95Å |
| 44 | V | 88 | Confident | 85.7 | Confident | 34 Ų | 34 | 63.4 Ų | 63.4 | 21% | 0.206 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -56.7 | -39.6 | 175.4 | 175.2 | 0 | 0 | 0 | 0 | 110.3 | C40 L41 V47 Y48 L250 | C40-V44 WeakPolarHBondContact O-CG2 3.48Å; C40-V44 PolarHBondContact O-N 2.89Å; L41-V44 PolarHBondContact O-N 3Å; V44-V47 PolarHBondContact O-N 2.95Å; V44-Y48 WeakPolarHBondContact O-CB 3.46Å; V44-Y48 PolarHBondContact O-N 3.25Å; V44-L250 HydrophobicContact CB-CD2 4.12Å; V44-L250 HydrophobicContact CG1-CD2 3.75Å |
| 45 | Y | 86.9 | Confident | 85.1 | Confident | 54 Ų | 54 | 61.4 Ų | 61.4 | 21% | 0.212 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.9 | -46.9 | 172.8 | -174.3 | -117.7 | 0 | 0 | 0 | 113.5 | L41 L42 L43 V47 Y48 I49 F247 L250 | L41-Y45 PolarHBondContact O-N 3.42Å; L42-Y45 WeakPolarHBondContact O-CB 3.32Å; L42-Y45 PolarHBondContact O-N 3.07Å; L43-Y45 PolarHBondContact O-N 3.38Å; Y45-V47 VanDerWaalsContact C-N 3.33Å; Y45-V47 PolarHBondContact O-N 3.13Å; Y45-Y48 WeakPolarHBondContact O-CB 3.31Å; Y45-Y48 PolarHBondContact O-N 2.91Å; Y45-I49 HydrophobicContact CD1-CD1 3.99Å; Y45-I49 HydrophobicContact CE1-CD1 3.42Å; Y45-I49 VanDerWaalsContact CE1-CD1 3.42Å; Y45-I49 HydrophobicContact CE1-CG1 4.29Å; Y45-I49 HydrophobicContact CE2-CD1 4.26Å; Y45-I49 HydrophobicContact CE2-CG1 4.28Å; Y45-I49 PolarHBondContact O-N 3.12Å; Y45-F247 AromaticContact CE2-CD2 3.6Å; Y45-F247 HydrophobicContact CE2-CD2 3.6Å; Y45-F247 HydrophobicContact CE2-CE2 4.12Å; Y45-F247 AromaticContact CZ-CD2 3.65Å; Y45-F247 AromaticContact CZ-CE2 3.7Å; Y45-F247 WeakPolarHBondContact OH-CD2 3.46Å; Y45-F247 WeakPolarHBondContact OH-CE2 3.49Å; Y45-L250 HydrophobicContact CD2-CB 3.51Å; Y45-L250 HydrophobicContact CD2-CD1 3.72Å; Y45-L250 HydrophobicContact CD2-CG 4.21Å; Y45-L250 HydrophobicContact CE2-CB 4.45Å; Y45-L250 HydrophobicContact CG-CB 4Å |
| 46 | G | 87.6 | Confident | 83.8 | Confident | 31 Ų | 31 | 59.3 Ų | 59.3 | 32% | 0.32 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.3 | -43.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L42 L43 Y48 I49 V50 | L42-G46 PolarHBondContact O-N 2.86Å; L43-G46 PolarHBondContact O-N 2.73Å; G46-Y48 VanDerWaalsContact C-N 3.34Å; G46-Y48 PolarHBondContact O-N 3.33Å; G46-I49 PolarHBondContact O-N 3.36Å; G46-V50 VanDerWaalsContact O-CG2 3.29Å; G46-V50 WeakPolarHBondContact O-CG2 3.41Å; G46-V50 PolarHBondContact O-N 3.43Å |
| 47 | V | 86.6 | Confident | 82.9 | Confident | 79 Ų | 79 | 62.6 Ų | 62.6 | 48% | 0.479 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 175.2 | 173.1 | 0 | 0 | 0 | 0 | 111 | L43 V44 Y45 V50 V51 | L43-V47 HydrophobicContact CD2-CG2 3.76Å; L43-V47 WeakPolarHBondContact O-CG2 3.3Å; L43-V47 PolarHBondContact O-N 2.95Å; V44-V47 PolarHBondContact O-N 2.95Å; Y45-V47 VanDerWaalsContact C-N 3.33Å; Y45-V47 PolarHBondContact O-N 3.13Å; V47-V50 WeakPolarHBondContact O-CB 3.33Å; V47-V50 PolarHBondContact O-N 3.09Å; V47-V51 HydrophobicContact CG1-CG2 4.34Å; V47-V51 VanDerWaalsContact O-CG2 3.31Å; V47-V51 WeakPolarHBondContact O-CG2 3.47Å; V47-V51 PolarHBondContact O-N 3.11Å |
| 48 | Y | 84.4 | Confident | 82 | Confident | 30 Ų | 30 | 64 Ų | 64 | 12% | 0.118 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.1 | -46.2 | 175.8 | 173.8 | -108.5 | 0 | 0 | 0 | 112.1 | A16 V44 Y45 G46 V50 V51 L52 V246 L250 | A16-Y48 HydrophobicContact CB-CD2 3.7Å; A16-Y48 HydrophobicContact CB-CE2 3.6Å; V44-Y48 WeakPolarHBondContact O-CB 3.46Å; V44-Y48 PolarHBondContact O-N 3.25Å; Y45-Y48 WeakPolarHBondContact O-CB 3.31Å; Y45-Y48 PolarHBondContact O-N 2.91Å; G46-Y48 VanDerWaalsContact C-N 3.34Å; G46-Y48 PolarHBondContact O-N 3.33Å; Y48-V50 VanDerWaalsContact C-N 3.32Å; Y48-V50 PolarHBondContact O-N 3.41Å; Y48-V51 PolarHBondContact O-N 2.91Å; Y48-L52 HydrophobicContact CE1-CD1 4.29Å; Y48-L52 WeakPolarHBondContact O-CB 3.34Å; Y48-L52 PolarHBondContact O-N 3.27Å; Y48-V246 HydrophobicContact CD1-CG1 4.24Å; Y48-V246 HydrophobicContact CD2-CG1 4.23Å; Y48-V246 HydrophobicContact CE1-CG1 3.99Å; Y48-V246 HydrophobicContact CE2-CG1 3.98Å; Y48-V246 HydrophobicContact CG-CG1 4.35Å; Y48-L250 HydrophobicContact CD1-CD1 4.25Å; Y48-L250 HydrophobicContact CG-CD1 4.29Å |
| 49 | I | 83.3 | Confident | 81 | Confident | 69 Ų | 69 | 65.3 Ų | 65.3 | 35% | 0.354 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.6 | -46 | 174.4 | -67.3 | 166.8 | 0 | 0 | 0 | 110.5 | Y45 G46 V51 L52 C53 | Y45-I49 HydrophobicContact CD1-CD1 3.99Å; Y45-I49 HydrophobicContact CE1-CD1 3.42Å; Y45-I49 VanDerWaalsContact CE1-CD1 3.42Å; Y45-I49 HydrophobicContact CE1-CG1 4.29Å; Y45-I49 HydrophobicContact CE2-CD1 4.26Å; Y45-I49 HydrophobicContact CE2-CG1 4.28Å; Y45-I49 PolarHBondContact O-N 3.12Å; G46-I49 PolarHBondContact O-N 3.36Å; I49-V51 VanDerWaalsContact C-N 3.35Å; I49-V51 PolarHBondContact O-N 2.88Å; I49-L52 WeakPolarHBondContact O-CB 3.4Å; I49-L52 PolarHBondContact O-N 2.75Å; I49-L52 VanDerWaalsContact O-N 3.15Å; I49-C53 PolarHBondContact O-N 2.94Å; I49-C53 PolarHBondContact O-SG 3.44Å; I49-C53 VanDerWaalsContact O-SG 3.33Å |
| 50 | V | 84.5 | Confident | 79.9 | Confident | 77 Ų | 77 | 69.7 Ų | 69.7 | 47% | 0.467 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.3 | -47.2 | 178.8 | 168.4 | 0 | 0 | 0 | 0 | 110.6 | G46 V47 Y48 L52 C53 F54 | G46-V50 VanDerWaalsContact O-CG2 3.29Å; G46-V50 WeakPolarHBondContact O-CG2 3.41Å; G46-V50 PolarHBondContact O-N 3.43Å; V47-V50 WeakPolarHBondContact O-CB 3.33Å; V47-V50 PolarHBondContact O-N 3.09Å; Y48-V50 VanDerWaalsContact C-N 3.32Å; Y48-V50 PolarHBondContact O-N 3.41Å; V50-L52 VanDerWaalsContact C-N 3.27Å; V50-L52 PolarHBondContact O-N 3.02Å; V50-C53 PolarHBondContact O-N 3.28Å; V50-F54 HydrophobicContact CG1-CD2 3.72Å; V50-F54 HydrophobicContact CG1-CE2 3.81Å; V50-F54 WeakPolarHBondContact O-CD2 3.4Å; V50-F54 PolarHBondContact O-N 2.94Å |
| 51 | V | 79.9 | Confident | 78.8 | Confident | 55 Ų | 55 | 72.8 Ų | 72.8 | 33% | 0.333 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.2 | -41.4 | 176 | 169.2 | 0 | 0 | 0 | 0 | 111 | V47 Y48 I49 F54 D55 I58 | V47-V51 HydrophobicContact CG1-CG2 4.34Å; V47-V51 VanDerWaalsContact O-CG2 3.31Å; V47-V51 WeakPolarHBondContact O-CG2 3.47Å; V47-V51 PolarHBondContact O-N 3.11Å; Y48-V51 PolarHBondContact O-N 2.91Å; I49-V51 VanDerWaalsContact C-N 3.35Å; I49-V51 PolarHBondContact O-N 2.88Å; V51-F54 CarbonylContact O-C 3.53Å; V51-F54 PolarHBondContact O-N 3.31Å; V51-D55 PolarHBondContact O-N 3.28Å; V51-I58 HydrophobicContact CG1-CD1 4.13Å |
| 52 | L | 76 | Confident | 77.8 | Confident | 85 Ų | 85 | 74.1 Ų | 74.1 | 45% | 0.445 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67.9 | -39.6 | 178.1 | -164.8 | 145.9 | 0 | 0 | 0 | 112.1 | Y48 I49 V50 F54 D55 | Y48-L52 HydrophobicContact CE1-CD1 4.29Å; Y48-L52 WeakPolarHBondContact O-CB 3.34Å; Y48-L52 PolarHBondContact O-N 3.27Å; I49-L52 WeakPolarHBondContact O-CB 3.4Å; I49-L52 PolarHBondContact O-N 2.75Å; I49-L52 VanDerWaalsContact O-N 3.15Å; V50-L52 VanDerWaalsContact C-N 3.27Å; V50-L52 PolarHBondContact O-N 3.02Å; L52-F54 VanDerWaalsContact C-N 3.29Å; L52-F54 PolarHBondContact O-N 3.42Å; L52-D55 VanDerWaalsContact O-CB 3.27Å; L52-D55 WeakPolarHBondContact O-CB 3.36Å; L52-D55 PolarHBondContact O-N 2.9Å |
| 53 | C | 77.8 | Confident | 76.6 | Confident | 92 Ų | 92 | 75.9 Ų | 75.9 | 62% | 0.622 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -63.2 | -34.9 | 174.4 | -71 | 0 | 0 | 0 | 0 | 112.6 | I49 V50 | I49-C53 PolarHBondContact O-N 2.94Å; I49-C53 PolarHBondContact O-SG 3.44Å; I49-C53 VanDerWaalsContact O-SG 3.33Å; V50-C53 PolarHBondContact O-N 3.28Å |
| 54 | F | 78.5 | Confident | 75.2 | Confident | 117 Ų | 117 | 80.8 Ų | 80.8 | 51% | 0.513 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 5.7 | 178.9 | -69.3 | -67.6 | 0 | 0 | 0 | 113.8 | V50 V51 L52 L56 R57 I58 | V50-F54 HydrophobicContact CG1-CD2 3.72Å; V50-F54 HydrophobicContact CG1-CE2 3.81Å; V50-F54 WeakPolarHBondContact O-CD2 3.4Å; V50-F54 PolarHBondContact O-N 2.94Å; V51-F54 CarbonylContact O-C 3.53Å; V51-F54 PolarHBondContact O-N 3.31Å; L52-F54 VanDerWaalsContact C-N 3.29Å; L52-F54 PolarHBondContact O-N 3.42Å; F54-L56 PolarHBondContact O-N 3.47Å; F54-L56 VanDerWaalsContact O-N 3.12Å; F54-R57 WeakPolarHBondContact O-CB 3.18Å; F54-R57 PolarHBondContact O-N 3.23Å; F54-I58 HydrophobicContact CB-CD1 3.99Å; F54-I58 HydrophobicContact CB-CG1 4.29Å; F54-I58 WeakPolarHBondContact O-CG1 3.49Å; F54-I58 PolarHBondContact O-N 3.08Å |
| 55 | D | 74.1 | Confident | 74.1 | Confident | 30 Ų | 30 | 86.6 Ų | 86.6 | 16% | 0.16 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -53.9 | -39.1 | -173.1 | -179.8 | 66.1 | 0 | 0 | 0 | 113.3 | R12 V51 L52 R57 I58 S59 | R12-D55 VanDerWaalsContact CD-OD1 3.29Å; R12-D55 WeakPolarHBondContact CD-OD1 3.28Å; R12-D55 IonicContact CZ-OD1 3.69Å; R12-D55 IonicContact NE-OD1 3.89Å; R12-D55 IonicContact NH1-OD1 2.72Å; R12-D55 PolarHBondContact NH1-OD1 2.96Å; R12-D55 IonicContact NH1-OD2 2.87Å; R12-D55 PolarHBondContact NH1-OD2 3.39Å; V51-D55 PolarHBondContact O-N 3.28Å; L52-D55 VanDerWaalsContact O-CB 3.27Å; L52-D55 WeakPolarHBondContact O-CB 3.36Å; L52-D55 PolarHBondContact O-N 2.9Å; D55-R57 VanDerWaalsContact C-N 3.31Å; D55-R57 PolarHBondContact O-N 2.95Å; D55-I58 PolarHBondContact O-N 3.48Å; D55-S59 VanDerWaalsContact O-CB 3.24Å; D55-S59 WeakPolarHBondContact O-CB 3.33Å; D55-S59 PolarHBondContact O-N 3.47Å |
| 56 | L | 62.8 | Low | 72.7 | Confident | 92 Ų | 92 | 87.7 Ų | 87.7 | 48% | 0.482 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -59.5 | -41.5 | 177.3 | -65.8 | 174.5 | 0 | 0 | 0 | 112.1 | F54 E60 | F54-L56 PolarHBondContact O-N 3.47Å; F54-L56 VanDerWaalsContact O-N 3.12Å; L56-E60 PolarHBondContact O-N 2.96Å |
| 57 | R | 68.1 | Low | 71.1 | Confident | 187 Ų | 187 | 91 Ų | 91 | 71% | 0.706 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -74.1 | -37.9 | 178.8 | -68.9 | -83.9 | -106.4 | -160.4 | -8.5 | 111.4 | F54 D55 F61 | F54-R57 WeakPolarHBondContact O-CB 3.18Å; F54-R57 PolarHBondContact O-N 3.23Å; D55-R57 VanDerWaalsContact C-N 3.31Å; D55-R57 PolarHBondContact O-N 2.95Å; R57-F61 WeakPolarHBondContact O-CB 3.32Å; R57-F61 PolarHBondContact O-N 2.71Å; R57-F61 VanDerWaalsContact O-N 3.09Å |
| 58 | I | 69.4 | Low | 69.3 | Low | 54 Ų | 54 | 92.9 Ų | 92.9 | 28% | 0.277 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.8 | -42.8 | 179.4 | -61.2 | 167.3 | 0 | 0 | 0 | 110 | W8 V51 F54 D55 E60 F61 V62 | W8-I58 HydrophobicContact CZ2-CG2 3.93Å; V51-I58 HydrophobicContact CG1-CD1 4.13Å; F54-I58 HydrophobicContact CB-CD1 3.99Å; F54-I58 HydrophobicContact CB-CG1 4.29Å; F54-I58 WeakPolarHBondContact O-CG1 3.49Å; F54-I58 PolarHBondContact O-N 3.08Å; D55-I58 PolarHBondContact O-N 3.48Å; I58-E60 PolarHBondContact O-N 3.39Å; I58-F61 PolarHBondContact O-N 3.27Å; I58-V62 HydrophobicContact CG2-CG2 4.03Å; I58-V62 WeakPolarHBondContact O-CB 3.48Å; I58-V62 VanDerWaalsContact O-CG2 3.25Å; I58-V62 WeakPolarHBondContact O-CG2 3.49Å; I58-V62 PolarHBondContact O-N 3.29Å |
| 59 | S | 66.6 | Low | 67.3 | Low | 28 Ų | 28 | 96.7 Ų | 96.7 | 20% | 0.196 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -57.5 | -48.9 | 177 | -176.3 | 0 | 0 | 0 | 0 | 111.5 | D55 F61 V62 L63 | D55-S59 VanDerWaalsContact O-CB 3.24Å; D55-S59 WeakPolarHBondContact O-CB 3.33Å; D55-S59 PolarHBondContact O-N 3.47Å; S59-F61 PolarHBondContact O-N 2.9Å; S59-V62 PolarHBondContact O-N 2.67Å; S59-L63 VanDerWaalsContact O-CB 3.26Å; S59-L63 WeakPolarHBondContact O-CB 3.19Å; S59-L63 WeakPolarHBondContact O-CD1 3.48Å; S59-L63 VanDerWaalsContact O-CG 3.29Å; S59-L63 WeakPolarHBondContact O-CG 3.05Å; S59-L63 PolarHBondContact O-N 2.91Å |
| 60 | E | 66.6 | Low | 65.5 | Low | 122 Ų | 122 | 95.8 Ų | 95.8 | 57% | 0.57 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.8 | -40.6 | 176.4 | -73.7 | -176.7 | 176.9 | 0 | 0 | 113 | L56 I58 R64 | L56-E60 PolarHBondContact O-N 2.96Å; I58-E60 PolarHBondContact O-N 3.39Å; E60-R64 WeakPolarHBondContact O-CB 3.37Å; E60-R64 WeakPolarHBondContact O-CG 3.38Å; E60-R64 PolarHBondContact O-N 3.11Å; E60-R64 VanDerWaalsContact O-N 3.13Å |
| 61 | F | 65.6 | Low | 63.6 | Low | 131 Ų | 131 | 99 Ų | 99 | 58% | 0.575 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.4 | -41.7 | 179 | -173.4 | -97.4 | 0 | 0 | 0 | 112 | R57 I58 S59 R64 K65 | R57-F61 WeakPolarHBondContact O-CB 3.32Å; R57-F61 PolarHBondContact O-N 2.71Å; R57-F61 VanDerWaalsContact O-N 3.09Å; I58-F61 PolarHBondContact O-N 3.27Å; S59-F61 PolarHBondContact O-N 2.9Å; F61-R64 PolarHBondContact O-N 3.47Å; F61-K65 HydrophobicContact CE1-CD 3.98Å; F61-K65 HydrophobicContact CZ-CD 4.26Å; F61-K65 WeakPolarHBondContact O-CB 3.06Å; F61-K65 PolarHBondContact O-N 3.31Å; F61-K65 VanDerWaalsContact O-N 3.12Å |
| 62 | V | 66.9 | Low | 62 | Low | 27 Ų | 27 | 98.4 Ų | 98.4 | 16% | 0.164 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -74.5 | -40 | -179.5 | 178.6 | 0 | 0 | 0 | 0 | 110.9 | W8 I58 S59 R64 K65 L66 | W8-V62 HydrophobicContact CE3-CG1 3.95Å; W8-V62 HydrophobicContact CH2-CB 3.59Å; W8-V62 HydrophobicContact CH2-CG1 3.4Å; W8-V62 HydrophobicContact CH2-CG2 3.52Å; W8-V62 HydrophobicContact CZ2-CB 3.93Å; W8-V62 HydrophobicContact CZ2-CG1 4.2Å; W8-V62 HydrophobicContact CZ2-CG2 3.86Å; W8-V62 HydrophobicContact CZ3-CB 3.91Å; W8-V62 HydrophobicContact CZ3-CG1 3.24Å; W8-V62 HydrophobicContact CZ3-CG2 4.28Å; I58-V62 HydrophobicContact CG2-CG2 4.03Å; I58-V62 WeakPolarHBondContact O-CB 3.48Å; I58-V62 VanDerWaalsContact O-CG2 3.25Å; I58-V62 WeakPolarHBondContact O-CG2 3.49Å; I58-V62 PolarHBondContact O-N 3.29Å; S59-V62 PolarHBondContact O-N 2.67Å; V62-R64 PolarHBondContact O-N 3.46Å; V62-K65 PolarHBondContact O-N 3.42Å; V62-L66 HydrophobicContact CG1-CB 4.09Å; V62-L66 HydrophobicContact CG1-CD1 4.37Å; V62-L66 HydrophobicContact CG1-CD2 4.34Å; V62-L66 VanDerWaalsContact O-CB 3.26Å; V62-L66 WeakPolarHBondContact O-CB 3.45Å; V62-L66 PolarHBondContact O-N 2.75Å |
| 63 | L | 63.9 | Low | 60.6 | Low | 86 Ų | 86 | 96.8 Ų | 96.8 | 45% | 0.45 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.1 | -35.7 | 171.2 | -79.7 | 161.2 | 0 | 0 | 0 | 112.3 | S59 L73 | S59-L63 VanDerWaalsContact O-CB 3.26Å; S59-L63 WeakPolarHBondContact O-CB 3.19Å; S59-L63 WeakPolarHBondContact O-CD1 3.48Å; S59-L63 VanDerWaalsContact O-CG 3.29Å; S59-L63 WeakPolarHBondContact O-CG 3.05Å; S59-L63 PolarHBondContact O-N 2.91Å; L63-L73 HydrophobicContact CD2-CD1 4.26Å; L63-L73 HydrophobicContact CD2-CD2 3.73Å; L63-L73 HydrophobicContact CD2-CG 3.85Å |
| 64 | R | 62.3 | Low | 58.6 | Low | 216 Ų | 216 | 95.2 Ų | 95.2 | 82% | 0.815 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -72.8 | -31.6 | 175 | -80.9 | -178.8 | 175.5 | -177.3 | 1.5 | 114 | E60 F61 V62 | E60-R64 WeakPolarHBondContact O-CB 3.37Å; E60-R64 WeakPolarHBondContact O-CG 3.38Å; E60-R64 PolarHBondContact O-N 3.11Å; E60-R64 VanDerWaalsContact O-N 3.13Å; F61-R64 PolarHBondContact O-N 3.47Å; V62-R64 PolarHBondContact O-N 3.46Å |
| 65 | K | 63.9 | Low | 56.6 | Low | 156 Ų | 156 | 93.8 Ų | 93.8 | 68% | 0.678 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -97.1 | -27.3 | -172.3 | -156.6 | 170.9 | -175.3 | -173.7 | 0 | 113.5 | F61 V62 S67 | F61-K65 HydrophobicContact CE1-CD 3.98Å; F61-K65 HydrophobicContact CZ-CD 4.26Å; F61-K65 WeakPolarHBondContact O-CB 3.06Å; F61-K65 PolarHBondContact O-N 3.31Å; F61-K65 VanDerWaalsContact O-N 3.12Å; V62-K65 PolarHBondContact O-N 3.42Å; K65-S67 VanDerWaalsContact C-N 3.35Å; K65-S67 PolarHBondContact O-N 2.83Å |
| 66 | L | 57.4 | Low | 54.9 | Low | 77 Ų | 77 | 94.8 Ų | 94.8 | 40% | 0.403 | 53% | 0.527 | S | S | . | . | trans | -94.9 | 27.6 | -175.6 | -131.6 | 81.9 | 0 | 0 | 0 | 113.3 | V62 | V62-L66 HydrophobicContact CG1-CB 4.09Å; V62-L66 HydrophobicContact CG1-CD1 4.37Å; V62-L66 HydrophobicContact CG1-CD2 4.34Å; V62-L66 VanDerWaalsContact O-CB 3.26Å; V62-L66 WeakPolarHBondContact O-CB 3.45Å; V62-L66 PolarHBondContact O-N 2.75Å | ||
| 67 | S | 53.8 | Low | 53.5 | Low | 102 Ų | 102 | 95.7 Ų | 95.7 | 71% | 0.713 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -14.1 | -174.9 | 85.9 | 0 | 0 | 0 | 0 | 117.3 | K65 | K65-S67 VanDerWaalsContact C-N 3.35Å; K65-S67 PolarHBondContact O-N 2.83Å |
| 68 | P | 49.2 | Very low | 51.7 | Low | 118 Ų | 118 | 90.8 Ų | 90.8 | 77% | 0.766 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | -4.1 | -179 | 34.9 | -28.9 | 0 | 0 | 0 | 116.4 | ||
| 69 | C | 42.5 | Very low | 50 | Low | 109 Ų | 109 | 94.5 Ų | 94.5 | 74% | 0.736 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -122.6 | 3.6 | -166.6 | -148.8 | 0 | 0 | 0 | 0 | 117.3 | ||
| 70 | C | 45.4 | Very low | 48.2 | Very low | 51 Ų | 51 | 103 Ų | 103 | 35% | 0.345 | 59% | 0.59 | S | S | . | * | trans | -135.6 | 97.1 | -179 | -77.6 | 0 | 0 | 0 | 0 | 112.2 | C72 L73 | C70-C72 PolarHBondContact O-N 2.83Å; C70-C72 VanDerWaalsContact O-N 3.08Å; C70-L73 HydrophobicContact CB-CB 4.17Å; C70-L73 WeakPolarHBondContact O-CB 3.44Å; C70-L73 PolarHBondContact O-N 3.03Å | ||
| 71 | T | 44.2 | Very low | 46.3 | Very low | 145 Ų | 145 | 108.1 Ų | 108.1 | 89% | 0.89 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | -15.6 | 171.1 | -26.4 | 0 | 0 | 0 | 0 | 112.7 | ||
| 72 | C | 46.8 | Very low | 44.5 | Very low | 41 Ų | 41 | 110.4 Ų | 110.4 | 28% | 0.277 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.3 | -14.5 | 174.3 | 42.1 | 0 | 0 | 0 | 0 | 114.5 | C70 | C70-C72 PolarHBondContact O-N 2.83Å; C70-C72 VanDerWaalsContact O-N 3.08Å |
| 73 | L | 46.1 | Very low | 42.6 | Very low | 51 Ų | 51 | 115.2 Ų | 115.2 | 27% | 0.267 | 65% | 0.646 | S | S | . | * | S | Bend | trans | -82.6 | -19.4 | -177.7 | -148 | 70 | 0 | 0 | 0 | 113 | L63 C70 | L63-L73 HydrophobicContact CD2-CD1 4.26Å; L63-L73 HydrophobicContact CD2-CD2 3.73Å; L63-L73 HydrophobicContact CD2-CG 3.85Å; C70-L73 HydrophobicContact CB-CB 4.17Å; C70-L73 WeakPolarHBondContact O-CB 3.44Å; C70-L73 PolarHBondContact O-N 3.03Å |
| 74 | G | 37.6 | Very low | 40.7 | Very low | 60 Ų | 60 | 120 Ų | 120 | 62% | 0.619 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -95.1 | -11 | -174 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 75 | S | 35.9 | Very low | 39 | Very low | 86 Ų | 86 | 115 Ų | 115 | 60% | 0.601 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -100.4 | -2.4 | -169 | -147 | 0 | 0 | 0 | 0 | 115.1 | ||
| 76 | G | 37.2 | Very low | 37.3 | Very low | 52 Ų | 52 | 116 Ų | 116 | 54% | 0.536 | 67% | 0.673 | S | S | . | * | S | Bend | trans | -97.7 | -19.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 77 | S | 33.5 | Very low | 35.9 | Very low | 110 Ų | 110 | 121.2 Ų | 121.2 | 77% | 0.769 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -100.9 | -6.6 | -171.6 | -147.7 | 0 | 0 | 0 | 0 | 114.2 | ||
| 78 | A | 31.6 | Very low | 34.6 | Very low | 85 Ų | 85 | 119.8 Ų | 119.8 | 70% | 0.702 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -86.7 | -12.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 79 | E | 34.1 | Very low | 33.4 | Very low | 132 Ų | 132 | 126.2 Ų | 126.2 | 62% | 0.617 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.1 | 42.9 | -176.7 | -151.8 | 172.1 | 142 | 0 | 0 | 111.7 | R4 | R4-E79 IonicContact CZ-OE1 3.99Å; R4-E79 IonicContact CZ-OE2 3.14Å; R4-E79 IonicContact NH1-OE2 2.73Å; R4-E79 PolarHBondContact NH1-OE2 3.36Å; R4-E79 IonicContact NH2-OE1 3.31Å; R4-E79 PolarHBondContact NH2-OE1 2.84Å; R4-E79 IonicContact NH2-OE2 2.77Å; R4-E79 PolarHBondContact NH2-OE2 3.4Å |
| 80 | K | 28.9 | Very low | 32.5 | Very low | 205 Ų | 205 | 128.4 Ų | 128.4 | 89% | 0.891 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.1 | 28.3 | 159.1 | -136.1 | 177.3 | -171.3 | 179.2 | 0 | 112.4 | ||
| 81 | R | 25.1 | Very low | 31.7 | Very low | 230 Ų | 230 | 133.4 Ų | 133.4 | 87% | 0.868 | 74% | 0.737 | S | S | * | * | trans | -122.1 | 37.4 | 171.8 | -142.1 | -178.8 | -165 | -168.1 | 4.3 | 110.8 | T83 | R81-T83 PolarHBondContact O-N 2.95Š| ||
| 82 | E | 27.4 | Very low | 30.7 | Very low | 180 Ų | 180 | 132.7 Ų | 132.7 | 84% | 0.841 | 73% | 0.732 | S | S | * | * | trans | -84.5 | 101.9 | 152.9 | -74.6 | -167 | 158.1 | 0 | 0 | 107 | Q84 | E82-Q84 PolarHBondContact O-N 3.31Š| ||
| 83 | T | 27.4 | Very low | 29.7 | Very low | 127 Ų | 127 | 136 Ų | 136 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | trans | -20.4 | 104 | 140.7 | 30.9 | 0 | 0 | 0 | 0 | 111.3 | R81 P85 | R81-T83 PolarHBondContact O-N 2.95Å; T83-P85 WeakPolarHBondContact O-CD 3.24Å | ||
| 84 | Q | 24 | Very low | 28.7 | Very low | 186 Ų | 186 | 141.6 Ų | 141.6 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | trans | -61.8 | 114.3 | 147.1 | -88.8 | 180 | -19.3 | 0 | 0 | 105.7 | E82 L86 | E82-Q84 PolarHBondContact O-N 3.31Å; Q84-L86 PolarHBondContact O-N 3.47Å | ||
| 85 | P | 26.5 | Very low | 28 | Very low | 113 Ų | 113 | 150 Ų | 150 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | trans | -63.1 | 127.3 | 159.5 | -4.1 | 22.1 | 0 | 0 | 0 | 105.6 | T83 M87 | T83-P85 WeakPolarHBondContact O-CD 3.24Å; P85-M87 PolarHBondContact O-N 2.98Å | ||
| 86 | L | 28.3 | Very low | 27.6 | Very low | 175 Ų | 175 | 153 Ų | 153 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | trans | -35.6 | 101.9 | 166.3 | -83.9 | 139.6 | 0 | 0 | 0 | 110.5 | Q84 G88 | Q84-L86 PolarHBondContact O-N 3.47Å; L86-G88 PolarHBondContact O-N 3.25Å; L86-G88 VanDerWaalsContact O-N 3.16Å | ||
| 87 | M | 28.7 | Very low | 27 | Very low | 188 Ų | 188 | 162.1 Ų | 162.1 | 93% | 0.926 | 83% | 0.83 | S | S | * | * | trans | -72.6 | 107.7 | 163.1 | -141.5 | -178.9 | -173.4 | 0 | 0 | 105.2 | P85 W89 | P85-M87 PolarHBondContact O-N 2.98Å; M87-W89 PolarHBondContact O-N 3.47Å | ||
| 88 | G | 25.2 | Very low | 26.6 | Very low | 72 Ų | 72 | 160.1 Ų | 160.1 | 74% | 0.742 | 83% | 0.827 | S | S | * | * | trans | -53.6 | 112.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | L86 N90 | L86-G88 PolarHBondContact O-N 3.25Å; L86-G88 VanDerWaalsContact O-N 3.16Å; G88-N90 PolarHBondContact O-N 2.95Å; G88-N90 VanDerWaalsContact O-N 3.13Å | ||
| 89 | W | 23.9 | Very low | 26.3 | Very low | 253 Ų | 253 | 167.9 Ų | 167.9 | 96% | 0.958 | 84% | 0.838 | S | S | * | * | trans | -76.9 | 99.4 | 170.8 | -148.5 | 33.7 | 0 | 0 | 0 | 106.7 | M87 D91 | M87-W89 PolarHBondContact O-N 3.47Å; W89-D91 PolarHBondContact O-N 2.86Å | ||
| 90 | N | 25.1 | Very low | 25.8 | Very low | 155 Ų | 155 | 166.7 Ų | 166.7 | 83% | 0.829 | 85% | 0.845 | S | S | * | * | trans | -66.5 | 121.1 | 176 | -127.2 | 1.1 | 0 | 0 | 0 | 108.2 | G88 T92 | G88-N90 PolarHBondContact O-N 2.95Å; G88-N90 VanDerWaalsContact O-N 3.13Å; N90-T92 PolarHBondContact O-N 3.32Å | ||
| 91 | D | 27.4 | Very low | 25.8 | Very low | 156 Ų | 156 | 168.1 Ų | 168.1 | 83% | 0.834 | 85% | 0.845 | S | S | * | * | trans | -54 | 116.1 | 172.4 | -82.1 | -52.6 | 0 | 0 | 0 | 110.8 | W89 | W89-D91 PolarHBondContact O-N 2.86Š| ||
| 92 | T | 24.7 | Very low | 25.9 | Very low | 130 Ų | 130 | 163.5 Ų | 163.5 | 80% | 0.798 | 84% | 0.842 | S | S | * | * | trans | -163 | 116.3 | 144.2 | 5.1 | 0 | 0 | 0 | 0 | 112 | N90 | N90-T92 PolarHBondContact O-N 3.32Š| ||
| 93 | S | 24.8 | Very low | 25.8 | Very low | 111 Ų | 111 | 162.6 Ų | 162.6 | 78% | 0.776 | 84% | 0.843 | S | S | * | * | trans | 70.7 | 126 | 166.2 | 78.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 94 | L | 25.4 | Very low | 26 | Very low | 167 Ų | 167 | 162 Ų | 162 | 87% | 0.874 | 85% | 0.845 | S | S | * | * | cis | -159.3 | 138.7 | 33.1 | -128.5 | 141.7 | 0 | 0 | 0 | 109.8 | ||||
| 95 | R | 23.4 | Very low | 26.2 | Very low | 236 Ų | 236 | 156.5 Ų | 156.5 | 89% | 0.891 | 84% | 0.838 | S | S | * | * | trans | -56.4 | 130.5 | 178 | -66.5 | 168.6 | 172.6 | 172.8 | -2.3 | 112.5 | ||||
| 96 | V | 27.4 | Very low | 26.5 | Very low | 149 Ų | 149 | 158.8 Ų | 158.8 | 90% | 0.903 | 84% | 0.842 | S | S | * | * | trans | -132.9 | 129.1 | 137.9 | 178.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 97 | R | 24.5 | Very low | 26.4 | Very low | 244 Ų | 244 | 158.9 Ų | 158.9 | 92% | 0.921 | 84% | 0.835 | S | S | * | * | trans | -101.5 | 127 | -165.9 | 175.3 | 162.2 | -179.8 | 143 | -2.2 | 110.9 | ||||
| 98 | G | 24.7 | Very low | 26.5 | Very low | 68 Ų | 68 | 158.1 Ų | 158.1 | 70% | 0.701 | 83% | 0.829 | S | S | * | * | 95 | 112.4 | 127.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 99 | R | 24.7 | Very low | 26.6 | Very low | 248 Ų | 248 | 160.3 Ų | 160.3 | 94% | 0.936 | 82% | 0.824 | S | S | * | * | 179.9 | 107.6 | 113.6 | -110 | 173.7 | 163.7 | 159.3 | -5.5 | 110.1 | |||||
| 100 | S | 23.2 | Very low | 27 | Very low | 108 Ų | 108 | 155.2 Ų | 155.2 | 76% | 0.755 | 82% | 0.816 | S | S | * | * | 55.3 | 100.2 | 106.9 | -163 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 101 | R | 29.2 | Very low | 27.2 | Very low | 234 Ų | 234 | 150.5 Ų | 150.5 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | 57.3 | 105.8 | 90.2 | -102.3 | -172.9 | 175.6 | 160.8 | -0.2 | 115.2 | |||||
| 102 | T | 28.5 | Very low | 27.4 | Very low | 134 Ų | 134 | 145.2 Ų | 145.2 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | -177 | 107.9 | 127.6 | 45.3 | 0 | 0 | 0 | 0 | 106.6 | |||||
| 103 | D | 25.7 | Very low | 27.7 | Very low | 160 Ų | 160 | 147.3 Ų | 147.3 | 86% | 0.856 | 77% | 0.771 | S | S | * | * | 77.3 | 101.9 | 82.3 | -151.7 | 20.8 | 0 | 0 | 0 | 113.5 | |||||
| 104 | S | 31.7 | Very low | 27.8 | Very low | 116 Ų | 116 | 145.6 Ų | 145.6 | 81% | 0.811 | 76% | 0.759 | S | S | * | * | trans | 165 | 119.6 | 143 | 58 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 105 | G | 28 | Very low | 28.2 | Very low | 70 Ų | 70 | 143.3 Ų | 143.3 | 72% | 0.722 | 74% | 0.744 | S | S | * | * | trans | -86.2 | -161.3 | -166.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 106 | I | 31.3 | Very low | 28.7 | Very low | 161 Ų | 161 | 137.8 Ų | 137.8 | 83% | 0.826 | 73% | 0.731 | S | S | * | * | trans | 74.2 | 86.6 | 166.8 | -52.4 | 171.1 | 0 | 0 | 0 | 113.5 | ||||
| 107 | F | 27.2 | Very low | 28.8 | Very low | 176 Ų | 176 | 133.7 Ų | 133.7 | 77% | 0.772 | 71% | 0.71 | S | S | * | * | -176.5 | 96.6 | 127.4 | -112.2 | -86.4 | 0 | 0 | 0 | 106.9 | D109 | F107-D109 PolarHBondContact O-N 3.23Š| |||
| 108 | Q | 30.7 | Very low | 29.4 | Very low | 173 Ų | 173 | 126.6 Ų | 126.6 | 81% | 0.808 | 69% | 0.689 | S | S | * | * | trans | -92.6 | 84.3 | 168.4 | -169.6 | 159.3 | 5.4 | 0 | 0 | 106.6 | D110 | Q108-D110 PolarHBondContact O-N 3.25Š| ||
| 109 | D | 26.6 | Very low | 30 | Very low | 117 Ų | 117 | 125.9 Ų | 125.9 | 63% | 0.626 | 67% | 0.674 | S | S | * | * | trans | -91.4 | 87.8 | 168.1 | -106.8 | -21.2 | 0 | 0 | 0 | 108.1 | F107 S111 | F107-D109 PolarHBondContact O-N 3.23Å; D109-S111 PolarHBondContact O-N 2.99Å | ||
| 110 | D | 32.5 | Very low | 30.5 | Very low | 147 Ų | 147 | 120 Ų | 120 | 79% | 0.786 | 66% | 0.66 | S | S | * | * | trans | -69.2 | 72.7 | 156.9 | -79.7 | -45.1 | 0 | 0 | 0 | 107.9 | Q108 | Q108-D110 PolarHBondContact O-N 3.25Š| ||
| 111 | S | 29.1 | Very low | 31 | Very low | 56 Ų | 56 | 120.5 Ų | 120.5 | 39% | 0.392 | 65% | 0.65 | S | S | . | * | trans | -109.1 | 143.2 | 175.9 | 63.4 | 0 | 0 | 0 | 0 | 109.3 | D109 Y113 | D109-S111 PolarHBondContact O-N 2.99Å; S111-Y113 PolarHBondContact O-N 3.45Å | ||
| 112 | G | 31.3 | Very low | 31.2 | Very low | 44 Ų | 44 | 109.8 Ų | 109.8 | 45% | 0.454 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -52.8 | 19.1 | -164.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | S114 | G112-S114 VanDerWaalsContact C-N 3.27Š|
| 113 | Y | 31.1 | Very low | 31.5 | Very low | 175 Ų | 175 | 109 Ų | 109 | 69% | 0.686 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.1 | -24.4 | 165.1 | -77.3 | -82.7 | 0 | 0 | 0 | 113.1 | S111 H115 L116 S117 | S111-Y113 PolarHBondContact O-N 3.45Å; Y113-H115 VanDerWaalsContact C-N 3.3Å; Y113-H115 PolarHBondContact O-N 3.33Å; Y113-L116 PolarHBondContact O-N 3.47Å; Y113-S117 WeakPolarHBondContact O-CA 3.1Å; Y113-S117 WeakPolarHBondContact O-CB 3.43Å; Y113-S117 PolarHBondContact O-N 3.25Å; Y113-S117 PolarHBondContact O-OG 2.89Å |
| 114 | S | 28.7 | Very low | 31.8 | Very low | 74 Ų | 74 | 106.3 Ų | 106.3 | 52% | 0.517 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -60.8 | -38 | 177.9 | 52.4 | 0 | 0 | 0 | 0 | 112.1 | G112 S117 L118 | G112-S114 VanDerWaalsContact C-N 3.27Å; S114-S117 VanDerWaalsContact CA-OG 3.29Å; S114-S117 WeakPolarHBondContact CA-OG 3.29Å; S114-S117 PolarHBondContact O-OG 3.41Å; S114-L118 WeakPolarHBondContact O-CB 3.26Å; S114-L118 PolarHBondContact O-N 2.9Å |
| 115 | H | 32.2 | Very low | 31.8 | Very low | 119 Ų | 119 | 107.6 Ų | 107.6 | 55% | 0.551 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -74.1 | -40.6 | 178.2 | -119.7 | -101.2 | 0 | 0 | 0 | 113.5 | Y113 S117 L118 S119 | Y113-H115 VanDerWaalsContact C-N 3.3Å; Y113-H115 PolarHBondContact O-N 3.33Å; H115-S117 VanDerWaalsContact C-N 3.33Å; H115-L118 PolarHBondContact O-N 3.45Å; H115-S119 PolarHBondContact O-N 3.23Å |
| 116 | L | 33.8 | Very low | 32 | Very low | 120 Ų | 120 | 106.6 Ų | 106.6 | 63% | 0.628 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66.8 | -38.9 | 173.5 | -165.1 | 74.3 | 0 | 0 | 0 | 110.6 | Y113 L118 S119 L120 | Y113-L116 PolarHBondContact O-N 3.47Å; L116-L118 VanDerWaalsContact C-N 3.34Å; L116-S119 PolarHBondContact O-N 3.06Å; L116-L120 VanDerWaalsContact O-CB 3.26Å; L116-L120 WeakPolarHBondContact O-CB 3.17Å; L116-L120 PolarHBondContact O-N 3.24Å |
| 117 | S | 29.7 | Very low | 32 | Very low | 64 Ų | 64 | 104.1 Ų | 104.1 | 45% | 0.448 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.4 | -28.9 | 174.9 | 77.1 | 0 | 0 | 0 | 0 | 112.3 | Y113 S114 H115 L120 H121 | Y113-S117 WeakPolarHBondContact O-CA 3.1Å; Y113-S117 WeakPolarHBondContact O-CB 3.43Å; Y113-S117 PolarHBondContact O-N 3.25Å; Y113-S117 PolarHBondContact O-OG 2.89Å; S114-S117 VanDerWaalsContact CA-OG 3.29Å; S114-S117 WeakPolarHBondContact CA-OG 3.29Å; S114-S117 PolarHBondContact O-OG 3.41Å; H115-S117 VanDerWaalsContact C-N 3.33Å; S117-L120 CarbonylContact O-C 3.6Å; S117-L120 PolarHBondContact O-N 3.44Å; S117-H121 WeakPolarHBondContact O-CA 3.08Å; S117-H121 WeakPolarHBondContact O-CB 3.47Å; S117-H121 PolarHBondContact O-N 3.39Å |
| 118 | L | 38.7 | Very low | 32.3 | Very low | 94 Ų | 94 | 102.5 Ų | 102.5 | 49% | 0.492 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -81.3 | -29.7 | 176.8 | -160.6 | 147.1 | 0 | 0 | 0 | 111.7 | S114 H115 L116 G122 | S114-L118 WeakPolarHBondContact O-CB 3.26Å; S114-L118 PolarHBondContact O-N 2.9Å; H115-L118 PolarHBondContact O-N 3.45Å; L116-L118 VanDerWaalsContact C-N 3.34Å; L118-G122 PolarHBondContact O-N 3.49Å |
| 119 | S | 35.8 | Very low | 32.5 | Very low | 54 Ų | 54 | 102.9 Ų | 102.9 | 38% | 0.378 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.9 | -39.1 | 164.2 | -169.2 | 0 | 0 | 0 | 0 | 111.3 | H115 L116 L123 | H115-S119 PolarHBondContact O-N 3.23Å; L116-S119 PolarHBondContact O-N 3.06Å; S119-L123 PolarHBondContact O-N 3.1Å; S119-L123 VanDerWaalsContact O-N 3.11Å |
| 120 | L | 36.2 | Very low | 33.2 | Very low | 123 Ų | 123 | 104.2 Ų | 104.2 | 64% | 0.644 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -72.1 | -32.8 | 174 | -153 | 89.9 | 0 | 0 | 0 | 112.9 | L116 S117 L123 N124 | L116-L120 VanDerWaalsContact O-CB 3.26Å; L116-L120 WeakPolarHBondContact O-CB 3.17Å; L116-L120 PolarHBondContact O-N 3.24Å; S117-L120 CarbonylContact O-C 3.6Å; S117-L120 PolarHBondContact O-N 3.44Å; L120-L123 CarbonylContact O-C 3.49Å; L120-L123 WeakPolarHBondContact O-CB 3.42Å; L120-L123 PolarHBondContact O-N 3.49Å; L120-N124 WeakPolarHBondContact O-CB 3.38Å; L120-N124 PolarHBondContact O-N 3.27Å |
| 121 | H | 33 | Very low | 33.4 | Very low | 119 Ų | 119 | 104.7 Ų | 104.7 | 55% | 0.551 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -79.7 | -33.2 | 178.8 | -150.3 | 67.6 | 0 | 0 | 0 | 110.9 | S117 L123 N124 E125 | S117-H121 WeakPolarHBondContact O-CA 3.08Å; S117-H121 WeakPolarHBondContact O-CB 3.47Å; S117-H121 PolarHBondContact O-N 3.39Å; H121-L123 VanDerWaalsContact C-N 3.3Å; H121-N124 CarbonylContact O-C 3.58Å; H121-N124 PolarHBondContact O-N 3.45Å; H121-N124 VanDerWaalsContact O-N 3.09Å; H121-E125 PolarHBondContact O-N 2.99Å |
| 122 | G | 32.9 | Very low | 34.3 | Very low | 10 Ų | 10 | 105.7 Ų | 105.7 | 10% | 0.103 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -62.4 | -36.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L118 N124 I126 | L118-G122 PolarHBondContact O-N 3.49Å; G122-N124 VanDerWaalsContact C-N 3.34Å; G122-I126 VanDerWaalsContact O-CD1 3.28Å; G122-I126 WeakPolarHBondContact O-CD1 3.4Å; G122-I126 WeakPolarHBondContact O-CG1 3.24Å; G122-I126 PolarHBondContact O-N 3.06Å |
| 123 | L | 34.5 | Very low | 35.4 | Very low | 117 Ų | 117 | 107.3 Ų | 107.3 | 61% | 0.613 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -72.1 | -24.1 | 169.4 | -90.9 | 157.9 | 0 | 0 | 0 | 114 | S119 L120 H121 | S119-L123 PolarHBondContact O-N 3.1Å; S119-L123 VanDerWaalsContact O-N 3.11Å; L120-L123 CarbonylContact O-C 3.49Å; L120-L123 WeakPolarHBondContact O-CB 3.42Å; L120-L123 PolarHBondContact O-N 3.49Å; H121-L123 VanDerWaalsContact C-N 3.3Å |
| 124 | N | 32.5 | Very low | 36.8 | Very low | 104 Ų | 104 | 103.2 Ų | 103.2 | 56% | 0.556 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -87.7 | -20.4 | 179.4 | -152.8 | 56.1 | 0 | 0 | 0 | 112.6 | L120 H121 G122 | L120-N124 WeakPolarHBondContact O-CB 3.38Å; L120-N124 PolarHBondContact O-N 3.27Å; H121-N124 CarbonylContact O-C 3.58Å; H121-N124 PolarHBondContact O-N 3.45Å; H121-N124 VanDerWaalsContact O-N 3.09Å; G122-N124 VanDerWaalsContact C-N 3.34Å |
| 125 | E | 32.2 | Very low | 38.3 | Very low | 143 Ų | 143 | 100.9 Ų | 100.9 | 67% | 0.668 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -82.6 | -23.2 | 167.2 | -88 | -172.7 | 137.9 | 0 | 0 | 112.6 | H121 T127 | H121-E125 PolarHBondContact O-N 2.99Å; E125-T127 PolarHBondContact O-N 3.37Å |
| 126 | I | 33.1 | Very low | 40 | Very low | 49 Ų | 49 | 98.6 Ų | 98.6 | 25% | 0.251 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 91.1 | 169.7 | -58.4 | 161.6 | 0 | 0 | 0 | 108 | G122 M227 E231 | G122-I126 VanDerWaalsContact O-CD1 3.28Å; G122-I126 WeakPolarHBondContact O-CD1 3.4Å; G122-I126 WeakPolarHBondContact O-CG1 3.24Å; G122-I126 PolarHBondContact O-N 3.06Å; I126-M227 HydrophobicContact CG2-SD 4.21Å; I126-E231 WeakPolarHBondContact CG1-OE1 3.44Å |
| 127 | T | 31.4 | Very low | 41.9 | Very low | 109 Ų | 109 | 94 Ų | 94 | 67% | 0.669 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.9 | 41.7 | 166.4 | -26 | 0 | 0 | 0 | 0 | 117.8 | E125 | E125-T127 PolarHBondContact O-N 3.37Š|
| 128 | E | 33.1 | Very low | 43.8 | Very low | 142 Ų | 142 | 98.3 Ų | 98.3 | 66% | 0.664 | 51% | 0.505 | S | S | * | . | trans | -85 | 14.5 | 150.2 | -93.9 | -105.1 | 142.2 | 0 | 0 | 111.9 | Q130 | E128-Q130 PolarHBondContact O-N 2.93Š| ||
| 129 | E | 34.1 | Very low | 45.6 | Very low | 180 Ų | 180 | 96.1 Ų | 96.1 | 84% | 0.841 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -89.9 | 87.4 | 160 | -145.3 | 178.3 | -166.6 | 0 | 0 | 109.6 | ||
| 130 | Q | 41.7 | Very low | 47.6 | Very low | 145 Ų | 145 | 99.2 Ų | 99.2 | 68% | 0.678 | 51% | 0.51 | S | S | * | . | trans | -28.4 | 126 | 170.1 | -136.5 | 97 | -87.5 | 0 | 0 | 115 | E128 | E128-Q130 PolarHBondContact O-N 2.93Š| ||
| 131 | R | 36.9 | Very low | 49.6 | Very low | 158 Ų | 158 | 98.3 Ų | 98.3 | 60% | 0.596 | 51% | 0.51 | S | S | * | . | trans | -146.2 | 126 | 137.9 | -103.5 | 178.1 | -166.7 | -163.9 | 5.1 | 106.7 | V133 A135 E138 | R131-V133 PolarHBondContact O-N 3.47Å; R131-A135 HydrophobicContact CB-CB 3.44Å; R131-A135 VanDerWaalsContact CB-CB 3.44Å; R131-A135 HydrophobicContact CG-CB 3.34Å; R131-E138 IonicContact NH2-OE1 3.18Å; R131-E138 PolarHBondContact NH2-OE1 3.48Å | ||
| 132 | S | 46.8 | Very low | 51.5 | Low | 77 Ų | 77 | 99.1 Ų | 99.1 | 54% | 0.538 | 51% | 0.512 | S | S | . | . | trans | -38.7 | 143 | 168.2 | 49 | 0 | 0 | 0 | 0 | 109.7 | F134 A135 | S132-F134 CarbonylContact O-C 3.56Å; S132-F134 PolarHBondContact O-N 2.93Å; S132-A135 WeakPolarHBondContact O-CB 3.49Å; S132-A135 PolarHBondContact O-N 2.65Å; S132-A135 PolarHBondContact OG-N 2.9Å | ||
| 133 | V | 55.8 | Low | 53.6 | Low | 77 Ų | 77 | 104.1 Ų | 104.1 | 47% | 0.467 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.5 | -26.3 | 171.5 | 177.3 | 0 | 0 | 0 | 0 | 111.8 | R131 I153 F157 | R131-V133 PolarHBondContact O-N 3.47Å; V133-I153 HydrophobicContact CG1-CG2 3.11Å; V133-F157 HydrophobicContact CG2-CD2 4.47Å |
| 134 | F | 60.5 | Low | 55.8 | Low | 90 Ų | 90 | 104.3 Ų | 104.3 | 40% | 0.395 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 14.5 | 178.6 | -58.1 | -74.5 | 0 | 0 | 0 | 117 | S132 V136 W146 L150 I154 | S132-F134 CarbonylContact O-C 3.56Å; S132-F134 PolarHBondContact O-N 2.93Å; F134-V136 PolarHBondContact O-N 3.46Å; F134-W146 HydrophobicContact CB-CZ2 4.45Å; F134-L150 HydrophobicContact CD1-CD2 4Å; F134-L150 HydrophobicContact CE1-CD2 4.06Å; F134-I154 HydrophobicContact CE1-CG1 3.93Å; F134-I154 HydrophobicContact CZ-CG1 4.28Å |
| 135 | A | 59.3 | Low | 57.8 | Low | 25 Ų | 25 | 104.2 Ų | 104.2 | 21% | 0.207 | 53% | 0.526 | C | S | . | . | P | Polyproline II helix | trans | -76 | 119.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111 | R131 S132 P137 | R131-A135 HydrophobicContact CB-CB 3.44Å; R131-A135 VanDerWaalsContact CB-CB 3.44Å; R131-A135 HydrophobicContact CG-CB 3.34Å; S132-A135 WeakPolarHBondContact O-CB 3.49Å; S132-A135 PolarHBondContact O-N 2.65Å; S132-A135 PolarHBondContact OG-N 2.9Å; A135-P137 WeakPolarHBondContact O-CD 3.4Å |
| 136 | V | 68.3 | Low | 60 | Low | 70 Ų | 70 | 99.8 Ų | 99.8 | 42% | 0.424 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 124.5 | -177.4 | -177.7 | 0 | 0 | 0 | 0 | 110.1 | F134 R143 W146 | F134-V136 PolarHBondContact O-N 3.46Å; V136-R143 HydrophobicContact CG1-CG 4.23Å; V136-W146 HydrophobicContact CG2-CH2 3.99Å; V136-W146 HydrophobicContact CG2-CZ3 4.09Å |
| 137 | P | 72.9 | Confident | 62.4 | Low | 23 Ų | 23 | 101.4 Ų | 101.4 | 15% | 0.149 | 52% | 0.516 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 149.8 | 174.7 | 28.3 | -32.8 | 0 | 0 | 0 | 111.8 | A135 K142 W146 | A135-P137 WeakPolarHBondContact O-CD 3.4Å; P137-K142 HydrophobicContact CB-CB 3.73Å; P137-K142 HydrophobicContact CB-CD 4.47Å; P137-K142 HydrophobicContact CG-CB 3.76Å; P137-K142 WeakPolarHBondContact CG-O 3.45Å; P137-W146 HydrophobicContact CG-CB 3.96Å; P137-W146 HydrophobicContact CG-CG 4.33Å |
| 138 | E | 70.3 | Confident | 64.8 | Low | 155 Ų | 155 | 102.6 Ų | 102.6 | 72% | 0.724 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -78.8 | -25.3 | -172 | -73.4 | 168.3 | -147.3 | 0 | 0 | 114.1 | R131 | R131-E138 IonicContact NH2-OE1 3.18Å; R131-E138 PolarHBondContact NH2-OE1 3.48Å |
| 139 | S | 76.4 | Confident | 67.1 | Low | 48 Ų | 48 | 98 Ų | 98 | 34% | 0.336 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -88.9 | 138 | 179.4 | 59.9 | 0 | 0 | 0 | 0 | 112.7 | V141 K142 R143 | S139-V141 PolarHBondContact O-N 3.43Å; S139-K142 PolarHBondContact O-N 3.44Å; S139-K142 VanDerWaalsContact O-N 3.09Å; S139-K142 WeakPolarHBondContact OG-CB 3.47Å; S139-K142 WeakPolarHBondContact OG-CD 3.38Å; S139-K142 WeakPolarHBondContact OG-CG 3.42Å; S139-R143 PolarHBondContact O-N 2.96Å |
| 140 | D | 78.4 | Confident | 69.3 | Low | 119 Ų | 119 | 91 Ų | 91 | 64% | 0.636 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -56.2 | -42.3 | -175 | -62.2 | -42.9 | 0 | 0 | 0 | 113.9 | R143 I144 | D140-R143 WeakPolarHBondContact O-CB 3.18Å; D140-R143 PolarHBondContact O-N 2.86Å; D140-I144 WeakPolarHBondContact O-CG1 3.4Å; D140-I144 PolarHBondContact O-N 3.47Å |
| 141 | V | 77.3 | Confident | 71.4 | Confident | 105 Ų | 105 | 88 Ų | 88 | 64% | 0.636 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65.2 | -43.4 | 177.9 | 179.7 | 0 | 0 | 0 | 0 | 111.7 | S139 R143 I144 L145 | S139-V141 PolarHBondContact O-N 3.43Å; V141-R143 VanDerWaalsContact C-N 3.26Å; V141-R143 PolarHBondContact O-N 3.45Å; V141-I144 PolarHBondContact O-N 2.91Å; V141-L145 HydrophobicContact CG1-CD1 4.23Å; V141-L145 WeakPolarHBondContact O-CG 3.32Å; V141-L145 PolarHBondContact O-N 3.43Å |
| 142 | K | 73.3 | Confident | 73.6 | Confident | 136 Ų | 136 | 83.5 Ų | 83.5 | 59% | 0.591 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -67 | -30.8 | 176.1 | -62.8 | -179.4 | -166.8 | 176.1 | 0 | 111.3 | P137 S139 W146 | P137-K142 HydrophobicContact CB-CB 3.73Å; P137-K142 HydrophobicContact CB-CD 4.47Å; P137-K142 HydrophobicContact CG-CB 3.76Å; P137-K142 WeakPolarHBondContact CG-O 3.45Å; S139-K142 PolarHBondContact O-N 3.44Å; S139-K142 VanDerWaalsContact O-N 3.09Å; S139-K142 WeakPolarHBondContact OG-CB 3.47Å; S139-K142 WeakPolarHBondContact OG-CD 3.38Å; S139-K142 WeakPolarHBondContact OG-CG 3.42Å; K142-W146 WeakPolarHBondContact O-CB 3.3Å; K142-W146 PolarHBondContact O-N 3.33Å |
| 143 | R | 76.5 | Confident | 75.1 | Confident | 114 Ų | 114 | 81.9 Ų | 81.9 | 43% | 0.43 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.6 | -43.7 | 176 | -170.6 | 179.8 | -70 | -177.5 | -0.6 | 111.2 | V136 S139 D140 V141 W146 V147 | V136-R143 HydrophobicContact CG1-CG 4.23Å; S139-R143 PolarHBondContact O-N 2.96Å; D140-R143 WeakPolarHBondContact O-CB 3.18Å; D140-R143 PolarHBondContact O-N 2.86Å; V141-R143 VanDerWaalsContact C-N 3.26Å; V141-R143 PolarHBondContact O-N 3.45Å; R143-W146 PolarHBondContact O-N 2.95Å; R143-V147 WeakPolarHBondContact O-CG2 3.5Å; R143-V147 PolarHBondContact O-N 2.96Å |
| 144 | I | 81 | Confident | 76.3 | Confident | 122 Ų | 122 | 81.7 Ų | 81.7 | 63% | 0.626 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -62 | -48 | 175.3 | -64.9 | 163.8 | 0 | 0 | 0 | 110.8 | D140 V141 W146 V147 L148 | D140-I144 WeakPolarHBondContact O-CG1 3.4Å; D140-I144 PolarHBondContact O-N 3.47Å; V141-I144 PolarHBondContact O-N 2.91Å; I144-W146 VanDerWaalsContact C-N 3.31Å; I144-W146 PolarHBondContact O-N 3.39Å; I144-V147 PolarHBondContact O-N 3.21Å; I144-L148 PolarHBondContact O-N 3.46Å |
| 145 | L | 74.7 | Confident | 77.4 | Confident | 101 Ų | 101 | 80.9 Ų | 80.9 | 53% | 0.529 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.2 | -35.7 | 176.9 | -71.7 | 172.1 | 0 | 0 | 0 | 112.7 | V141 L148 S149 | V141-L145 HydrophobicContact CG1-CD1 4.23Å; V141-L145 WeakPolarHBondContact O-CG 3.32Å; V141-L145 PolarHBondContact O-N 3.43Å; L145-L148 PolarHBondContact O-N 3.34Å; L145-S149 WeakPolarHBondContact O-CB 3.27Å; L145-S149 PolarHBondContact O-N 2.91Å; L145-S149 PolarHBondContact O-OG 2.92Å |
| 146 | W | 78.7 | Confident | 78.5 | Confident | 50 Ų | 50 | 81.7 Ų | 81.7 | 19% | 0.189 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -66.3 | -42.1 | 174.8 | -179.5 | 81.7 | 0 | 0 | 0 | 111.7 | F134 V136 P137 K142 R143 I144 L148 S149 L150 | F134-W146 HydrophobicContact CB-CZ2 4.45Å; V136-W146 HydrophobicContact CG2-CH2 3.99Å; V136-W146 HydrophobicContact CG2-CZ3 4.09Å; P137-W146 HydrophobicContact CG-CB 3.96Å; P137-W146 HydrophobicContact CG-CG 4.33Å; K142-W146 WeakPolarHBondContact O-CB 3.3Å; K142-W146 PolarHBondContact O-N 3.33Å; R143-W146 PolarHBondContact O-N 2.95Å; I144-W146 VanDerWaalsContact C-N 3.31Å; I144-W146 PolarHBondContact O-N 3.39Å; W146-L148 PolarHBondContact O-N 3.42Å; W146-S149 WeakPolarHBondContact CA-OG 3.27Å; W146-S149 PolarHBondContact O-N 2.86Å; W146-S149 PolarHBondContact O-OG 3.34Å; W146-L150 HydrophobicContact CD2-CG 4.33Å; W146-L150 HydrophobicContact CE3-CD1 4.12Å; W146-L150 HydrophobicContact CE3-CG 4.31Å; W146-L150 HydrophobicContact CH2-CD1 3.78Å; W146-L150 HydrophobicContact CH2-CD2 4.08Å; W146-L150 HydrophobicContact CH2-CG 4.16Å; W146-L150 HydrophobicContact CZ2-CD1 4.28Å; W146-L150 HydrophobicContact CZ2-CD2 3.79Å; W146-L150 HydrophobicContact CZ2-CG 4.15Å; W146-L150 HydrophobicContact CZ3-CD1 3.68Å; W146-L150 HydrophobicContact CZ3-CG 4.24Å; W146-L150 WeakPolarHBondContact O-CG 3.27Å; W146-L150 PolarHBondContact O-N 3.08Å |
| 147 | V | 82.9 | Confident | 79.1 | Confident | 84 Ų | 84 | 82.7 Ų | 82.7 | 51% | 0.509 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.8 | -39.5 | 174.6 | 173.1 | 0 | 0 | 0 | 0 | 111.7 | R143 I144 S149 | R143-V147 WeakPolarHBondContact O-CG2 3.5Å; R143-V147 PolarHBondContact O-N 2.96Å; I144-V147 PolarHBondContact O-N 3.21Å; V147-S149 VanDerWaalsContact C-N 3.33Å; V147-S149 PolarHBondContact O-N 2.97Å |
| 148 | L | 82.2 | Confident | 79.5 | Confident | 133 Ų | 133 | 87.7 Ų | 87.7 | 70% | 0.696 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -65.1 | -37.2 | 176.8 | -169.2 | 79.8 | 0 | 0 | 0 | 112.2 | I144 L145 W146 P151 | I144-L148 PolarHBondContact O-N 3.46Å; L145-L148 PolarHBondContact O-N 3.34Å; W146-L148 PolarHBondContact O-N 3.42Å; L148-P151 WeakPolarHBondContact O-CD 3.48Å |
| 149 | S | 80.8 | Confident | 80.1 | Confident | 45 Ų | 45 | 82.8 Ų | 82.8 | 32% | 0.315 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -85.8 | -16.2 | -179 | 53 | 0 | 0 | 0 | 0 | 114.1 | L145 W146 V147 P151 V152 I153 | L145-S149 WeakPolarHBondContact O-CB 3.27Å; L145-S149 PolarHBondContact O-N 2.91Å; L145-S149 PolarHBondContact O-OG 2.92Å; W146-S149 WeakPolarHBondContact CA-OG 3.27Å; W146-S149 PolarHBondContact O-N 2.86Å; W146-S149 PolarHBondContact O-OG 3.34Å; V147-S149 VanDerWaalsContact C-N 3.33Å; V147-S149 PolarHBondContact O-N 2.97Å; S149-P151 VanDerWaalsContact C-CD 3.49Å; S149-V152 WeakPolarHBondContact O-CB 3.28Å; S149-V152 PolarHBondContact O-N 3.43Å; S149-V152 VanDerWaalsContact O-N 3.09Å; S149-I153 VanDerWaalsContact O-CG1 3.3Å; S149-I153 WeakPolarHBondContact O-CG1 3.41Å; S149-I153 PolarHBondContact O-N 3.09Å |
| 150 | L | 81.1 | Confident | 80.3 | Confident | 34 Ų | 34 | 82.7 Ų | 82.7 | 18% | 0.178 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -46.9 | -49.1 | 176.8 | -96.9 | -179.9 | 0 | 0 | 0 | 115.4 | F134 W146 V152 I153 I154 | F134-L150 HydrophobicContact CD1-CD2 4Å; F134-L150 HydrophobicContact CE1-CD2 4.06Å; W146-L150 HydrophobicContact CD2-CG 4.33Å; W146-L150 HydrophobicContact CE3-CD1 4.12Å; W146-L150 HydrophobicContact CE3-CG 4.31Å; W146-L150 HydrophobicContact CH2-CD1 3.78Å; W146-L150 HydrophobicContact CH2-CD2 4.08Å; W146-L150 HydrophobicContact CH2-CG 4.16Å; W146-L150 HydrophobicContact CZ2-CD1 4.28Å; W146-L150 HydrophobicContact CZ2-CD2 3.79Å; W146-L150 HydrophobicContact CZ2-CG 4.15Å; W146-L150 HydrophobicContact CZ3-CD1 3.68Å; W146-L150 HydrophobicContact CZ3-CG 4.24Å; W146-L150 WeakPolarHBondContact O-CG 3.27Å; W146-L150 PolarHBondContact O-N 3.08Å; L150-V152 VanDerWaalsContact C-N 3.27Å; L150-V152 PolarHBondContact O-N 3.44Å; L150-I153 PolarHBondContact O-N 3.16Å; L150-I154 HydrophobicContact CD2-CD1 4.33Å; L150-I154 WeakPolarHBondContact O-CB 3.43Å; L150-I154 VanDerWaalsContact O-CG1 3.25Å; L150-I154 WeakPolarHBondContact O-CG1 3.34Å; L150-I154 PolarHBondContact O-N 3.4Å |
| 151 | P | 84.9 | Confident | 80.2 | Confident | 83 Ų | 83 | 77.7 Ų | 77.7 | 54% | 0.539 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.3 | -39.6 | -179.4 | 21.9 | -33.5 | 0 | 0 | 0 | 112 | L148 S149 L155 | L148-P151 WeakPolarHBondContact O-CD 3.48Å; S149-P151 VanDerWaalsContact C-CD 3.49Å; P151-L155 VanDerWaalsContact O-CB 3.26Å; P151-L155 WeakPolarHBondContact O-CB 3.38Å; P151-L155 PolarHBondContact O-N 3.4Å |
| 152 | V | 82.8 | Confident | 80 | Confident | 63 Ų | 63 | 75.4 Ų | 75.4 | 38% | 0.382 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -68.7 | -44.8 | 177 | -178.8 | 0 | 0 | 0 | 0 | 110.5 | S149 L150 I154 L155 L156 F186 | S149-V152 WeakPolarHBondContact O-CB 3.28Å; S149-V152 PolarHBondContact O-N 3.43Å; S149-V152 VanDerWaalsContact O-N 3.09Å; L150-V152 VanDerWaalsContact C-N 3.27Å; L150-V152 PolarHBondContact O-N 3.44Å; V152-I154 PolarHBondContact O-N 3Å; V152-L155 PolarHBondContact O-N 2.94Å; V152-L156 HydrophobicContact CG1-CD1 3.95Å; V152-L156 HydrophobicContact CG1-CG 4.39Å; V152-L156 WeakPolarHBondContact O-CB 3.26Å; V152-L156 VanDerWaalsContact O-CG 3.32Å; V152-L156 WeakPolarHBondContact O-CG 3.28Å; V152-L156 PolarHBondContact O-N 3.1Å; V152-F186 HydrophobicContact CG1-CE1 4.19Å; V152-F186 HydrophobicContact CG1-CZ 3.79Å |
| 153 | I | 78.8 | Confident | 79.8 | Confident | 43 Ų | 43 | 71.1 Ų | 71.1 | 22% | 0.221 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.6 | -43.3 | 178.6 | -68.8 | 167.8 | 0 | 0 | 0 | 111.3 | V133 S149 L150 L156 F157 | V133-I153 HydrophobicContact CG1-CG2 3.11Å; S149-I153 VanDerWaalsContact O-CG1 3.3Å; S149-I153 WeakPolarHBondContact O-CG1 3.41Å; S149-I153 PolarHBondContact O-N 3.09Å; L150-I153 PolarHBondContact O-N 3.16Å; I153-L156 PolarHBondContact O-N 2.73Å; I153-F157 VanDerWaalsContact O-CB 3.25Å; I153-F157 WeakPolarHBondContact O-CB 3.3Å; I153-F157 PolarHBondContact O-N 2.91Å |
| 154 | I | 81.7 | Confident | 79.4 | Confident | 73 Ų | 73 | 74.3 Ų | 74.3 | 37% | 0.374 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.2 | -45.8 | 177.1 | -71.5 | 165.9 | 0 | 0 | 0 | 110.1 | F134 L150 V152 L156 F157 I158 | F134-I154 HydrophobicContact CE1-CG1 3.93Å; F134-I154 HydrophobicContact CZ-CG1 4.28Å; L150-I154 HydrophobicContact CD2-CD1 4.33Å; L150-I154 WeakPolarHBondContact O-CB 3.43Å; L150-I154 VanDerWaalsContact O-CG1 3.25Å; L150-I154 WeakPolarHBondContact O-CG1 3.34Å; L150-I154 PolarHBondContact O-N 3.4Å; V152-I154 PolarHBondContact O-N 3Å; I154-L156 VanDerWaalsContact C-N 3.35Å; I154-L156 PolarHBondContact O-N 3.04Å; I154-F157 PolarHBondContact O-N 2.76Å; I154-I158 HydrophobicContact CG2-CD1 3.78Å; I154-I158 VanDerWaalsContact O-CG1 3.29Å; I154-I158 WeakPolarHBondContact O-CG1 3.3Å; I154-I158 PolarHBondContact O-N 2.72Å |
| 155 | L | 83.8 | Confident | 78.9 | Confident | 73 Ų | 73 | 75.6 Ų | 75.6 | 38% | 0.382 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 178.8 | 169.2 | 155.1 | 0 | 0 | 0 | 111.7 | P151 V152 I158 T159 W182 | P151-L155 VanDerWaalsContact O-CB 3.26Å; P151-L155 WeakPolarHBondContact O-CB 3.38Å; P151-L155 PolarHBondContact O-N 3.4Å; V152-L155 PolarHBondContact O-N 2.94Å; L155-I158 PolarHBondContact O-N 3.35Å; L155-T159 WeakPolarHBondContact O-CB 3.47Å; L155-T159 VanDerWaalsContact O-CG2 3.32Å; L155-T159 WeakPolarHBondContact O-CG2 3.29Å; L155-T159 PolarHBondContact O-N 2.94Å; L155-T159 VanDerWaalsContact O-N 3.13Å; L155-T159 PolarHBondContact O-OG1 3.14Å; L155-W182 HydrophobicContact CD1-CH2 4.13Å; L155-W182 HydrophobicContact CD2-CD2 4.47Å; L155-W182 HydrophobicContact CD2-CE3 4.25Å; L155-W182 HydrophobicContact CD2-CH2 3.12Å; L155-W182 HydrophobicContact CD2-CZ2 3.34Å; L155-W182 HydrophobicContact CD2-CZ3 3.6Å; L155-W182 HydrophobicContact CG-CH2 4Å; L155-W182 HydrophobicContact CG-CZ2 4.17Å |
| 156 | L | 81.9 | Confident | 78.3 | Confident | 41 Ų | 41 | 82.4 Ų | 82.4 | 22% | 0.215 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -68.8 | -38.4 | 174.3 | -69.3 | 172.2 | 0 | 0 | 0 | 112.2 | V152 I153 I154 I158 T159 I160 W182 F186 | V152-L156 HydrophobicContact CG1-CD1 3.95Å; V152-L156 HydrophobicContact CG1-CG 4.39Å; V152-L156 WeakPolarHBondContact O-CB 3.26Å; V152-L156 VanDerWaalsContact O-CG 3.32Å; V152-L156 WeakPolarHBondContact O-CG 3.28Å; V152-L156 PolarHBondContact O-N 3.1Å; I153-L156 PolarHBondContact O-N 2.73Å; I154-L156 VanDerWaalsContact C-N 3.35Å; I154-L156 PolarHBondContact O-N 3.04Å; L156-I158 VanDerWaalsContact C-N 3.31Å; L156-I158 PolarHBondContact O-N 3.12Å; L156-T159 PolarHBondContact O-N 3.5Å; L156-T159 PolarHBondContact O-OG1 3.28Å; L156-I160 HydrophobicContact CB-CD1 4.23Å; L156-I160 HydrophobicContact CD2-CD1 3.8Å; L156-I160 VanDerWaalsContact O-CB 3.26Å; L156-I160 WeakPolarHBondContact O-CB 3.14Å; L156-I160 WeakPolarHBondContact O-CG1 3.11Å; L156-I160 PolarHBondContact O-N 2.73Å; L156-W182 HydrophobicContact CD2-CB 3.94Å; L156-W182 HydrophobicContact CD2-CD2 3.56Å; L156-W182 HydrophobicContact CD2-CE3 3.96Å; L156-W182 HydrophobicContact CD2-CG 3.52Å; L156-F186 HydrophobicContact CD1-CE2 4.03Å; L156-F186 HydrophobicContact CD1-CZ 4.17Å; L156-F186 HydrophobicContact CD2-CE2 3.77Å; L156-F186 HydrophobicContact CD2-CZ 4.02Å; L156-F186 HydrophobicContact CG-CE2 4.37Å; L156-F186 HydrophobicContact CG-CZ 4.34Å |
| 157 | F | 80.5 | Confident | 77.7 | Confident | 92 Ų | 92 | 87.6 Ų | 87.6 | 40% | 0.404 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.9 | -34.6 | 177.7 | -178.6 | -99 | 0 | 0 | 0 | 112.6 | V133 I153 I154 | V133-F157 HydrophobicContact CG2-CD2 4.47Å; I153-F157 VanDerWaalsContact O-CB 3.25Å; I153-F157 WeakPolarHBondContact O-CB 3.3Å; I153-F157 PolarHBondContact O-N 2.91Å; I154-F157 PolarHBondContact O-N 2.76Å |
| 158 | I | 81.3 | Confident | 76.9 | Confident | 128 Ų | 128 | 88.2 Ų | 88.2 | 66% | 0.656 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -73.6 | -36.9 | 176.8 | -70.8 | 169 | 0 | 0 | 0 | 111.1 | I154 L155 L156 | I154-I158 HydrophobicContact CG2-CD1 3.78Å; I154-I158 VanDerWaalsContact O-CG1 3.29Å; I154-I158 WeakPolarHBondContact O-CG1 3.3Å; I154-I158 PolarHBondContact O-N 2.72Å; L155-I158 PolarHBondContact O-N 3.35Å; L156-I158 VanDerWaalsContact C-N 3.31Å; L156-I158 PolarHBondContact O-N 3.12Å |
| 159 | T | 82.4 | Confident | 76.3 | Confident | 52 Ų | 52 | 89.4 Ų | 89.4 | 32% | 0.319 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -94.1 | -27.1 | -170.5 | 53.6 | 0 | 0 | 0 | 0 | 113.9 | L155 L156 P161 W182 | L155-T159 WeakPolarHBondContact O-CB 3.47Å; L155-T159 VanDerWaalsContact O-CG2 3.32Å; L155-T159 WeakPolarHBondContact O-CG2 3.29Å; L155-T159 PolarHBondContact O-N 2.94Å; L155-T159 VanDerWaalsContact O-N 3.13Å; L155-T159 PolarHBondContact O-OG1 3.14Å; L156-T159 PolarHBondContact O-N 3.5Å; L156-T159 PolarHBondContact O-OG1 3.28Å; T159-P161 WeakPolarHBondContact O-CD 3.31Å; T159-W182 HydrophobicContact CG2-CZ2 4.12Å; T159-W182 PolarHBondContact OG1-NE1 2.77Å |
| 160 | I | 81.3 | Confident | 76 | Confident | 45 Ų | 45 | 95.3 Ų | 95.3 | 23% | 0.231 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -98.3 | 113 | 179.8 | -57.3 | 176.8 | 0 | 0 | 0 | 109.3 | L156 D162 T175 | L156-I160 HydrophobicContact CB-CD1 4.23Å; L156-I160 HydrophobicContact CD2-CD1 3.8Å; L156-I160 VanDerWaalsContact O-CB 3.26Å; L156-I160 WeakPolarHBondContact O-CB 3.14Å; L156-I160 WeakPolarHBondContact O-CG1 3.11Å; L156-I160 PolarHBondContact O-N 2.73Å; I160-D162 PolarHBondContact O-N 3.31Å; I160-T175 HydrophobicContact CG2-CG2 3.8Å |
| 161 | P | 75.7 | Confident | 75.9 | Confident | 15 Ų | 15 | 99.9 Ų | 99.9 | 10% | 0.097 | 46% | 0.459 | C | S | . | . | trans | -70 | 129.4 | 179.4 | 17.4 | -19.6 | 0 | 0 | 0 | 112.6 | T159 C163 W168 I174 T175 | T159-P161 WeakPolarHBondContact O-CD 3.31Å; P161-C163 PolarHBondContact O-N 3.47Å; P161-W168 HydrophobicContact CB-CD2 3.76Å; P161-W168 HydrophobicContact CB-CE3 3.11Å; P161-W168 HydrophobicContact CB-CH2 3.84Å; P161-W168 HydrophobicContact CB-CZ2 4.41Å; P161-W168 HydrophobicContact CB-CZ3 3.17Å; P161-W168 HydrophobicContact CG-CE3 3.97Å; P161-W168 HydrophobicContact CG-CZ3 3.77Å; P161-I174 HydrophobicContact CG-CG2 4.19Å; P161-T175 WeakPolarHBondContact CG-OG1 3.48Å; P161-T175 WeakPolarHBondContact O-CB 3.26Å; P161-T175 WeakPolarHBondContact O-CG2 3.24Å; P161-T175 PolarHBondContact O-OG1 3.44Å | ||
| 162 | D | 74.7 | Confident | 75.7 | Confident | 56 Ų | 56 | 102.1 Ų | 102.1 | 30% | 0.299 | 46% | 0.46 | S | S | . | . | trans | -78.1 | 103.6 | -177 | -176.8 | 2.6 | 0 | 0 | 0 | 112.3 | I160 R164 R165 W168 | I160-D162 PolarHBondContact O-N 3.31Å; D162-R164 PolarHBondContact O-N 2.98Å; D162-R164 VanDerWaalsContact O-N 3.12Å; D162-R164 WeakPolarHBondContact OD1-CB 3.44Å; D162-R164 VanDerWaalsContact OD1-CG 3.27Å; D162-R164 WeakPolarHBondContact OD1-CG 3.02Å; D162-R164 PolarHBondContact OD1-N 3.39Å; D162-R165 PolarHBondContact O-N 2.92Å; D162-R165 IonicContact OD2-NE 3.95Å; D162-W168 WeakPolarHBondContact O-CB 3.37Å | ||
| 163 | C | 68.1 | Low | 75.8 | Confident | 46 Ų | 46 | 104.1 Ų | 104.1 | 31% | 0.311 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -17.1 | 176.3 | -70 | 0 | 0 | 0 | 0 | 114.5 | P161 R165 T175 | P161-C163 PolarHBondContact O-N 3.47Å; C163-R165 PolarHBondContact O-N 3.12Å; C163-T175 WeakPolarHBondContact SG-CB 3.4Å; C163-T175 PolarHBondContact SG-OG1 3.22Å |
| 164 | R | 67.6 | Low | 76.2 | Confident | 182 Ų | 182 | 105.3 Ų | 105.3 | 69% | 0.687 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -21.8 | 179.4 | -60.7 | 176.1 | 62.9 | -175.5 | 0.6 | 111.9 | D162 | D162-R164 PolarHBondContact O-N 2.98Å; D162-R164 VanDerWaalsContact O-N 3.12Å; D162-R164 WeakPolarHBondContact OD1-CB 3.44Å; D162-R164 VanDerWaalsContact OD1-CG 3.27Å; D162-R164 WeakPolarHBondContact OD1-CG 3.02Å; D162-R164 PolarHBondContact OD1-N 3.39Å |
| 165 | R | 70.7 | Confident | 76.4 | Confident | 148 Ų | 148 | 102.9 Ų | 102.9 | 56% | 0.558 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -80.1 | 135.1 | 179.1 | -63.5 | -176 | -179.1 | -129.5 | 0.9 | 110.3 | D162 C163 F167 W168 K169 | D162-R165 PolarHBondContact O-N 2.92Å; D162-R165 IonicContact OD2-NE 3.95Å; C163-R165 PolarHBondContact O-N 3.12Å; R165-F167 PolarHBondContact O-N 2.92Å; R165-W168 PolarHBondContact O-N 3.37Å; R165-K169 PolarHBondContact O-N 2.97Å |
| 166 | R | 62.6 | Low | 76.5 | Confident | 244 Ų | 244 | 105.5 Ų | 105.5 | 92% | 0.921 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -28.5 | -176.6 | -141.8 | 174.8 | -170.1 | 174 | 2.7 | 114 | ||
| 167 | F | 65.7 | Low | 76.8 | Confident | 160 Ų | 160 | 109.3 Ų | 109.3 | 70% | 0.702 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -36.6 | 177.7 | -168.9 | -95 | 0 | 0 | 0 | 113.7 | R165 | R165-F167 PolarHBondContact O-N 2.92Š|
| 168 | W | 66.7 | Low | 77.1 | Confident | 96 Ų | 96 | 109 Ų | 109 | 36% | 0.364 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -3.4 | -173.6 | -66.7 | 84.4 | 0 | 0 | 0 | 113.4 | P161 D162 R165 Q170 W171 | P161-W168 HydrophobicContact CB-CD2 3.76Å; P161-W168 HydrophobicContact CB-CE3 3.11Å; P161-W168 HydrophobicContact CB-CH2 3.84Å; P161-W168 HydrophobicContact CB-CZ2 4.41Å; P161-W168 HydrophobicContact CB-CZ3 3.17Å; P161-W168 HydrophobicContact CG-CE3 3.97Å; P161-W168 HydrophobicContact CG-CZ3 3.77Å; D162-W168 WeakPolarHBondContact O-CB 3.37Å; R165-W168 PolarHBondContact O-N 3.37Å; W168-Q170 PolarHBondContact O-N 3.49Å; W168-Q170 VanDerWaalsContact O-N 3.14Å; W168-W171 HydrophobicContact CE3-CB 4.25Å; W168-W171 PolarHBondContact O-N 3.2Å |
| 169 | K | 69.8 | Low | 77.5 | Confident | 158 Ų | 158 | 104.6 Ų | 104.6 | 69% | 0.687 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -54.8 | -33 | 178.2 | -172.2 | 175.7 | -179.4 | 178.6 | 0 | 113.5 | R165 W171 | R165-K169 PolarHBondContact O-N 2.97Å; K169-W171 VanDerWaalsContact C-N 3.33Å |
| 170 | Q | 74.3 | Confident | 77.7 | Confident | 170 Ų | 170 | 104.2 Ų | 104.2 | 79% | 0.794 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -78.9 | -16.6 | 177.7 | -71.5 | 175.7 | -24.8 | 0 | 0 | 113.3 | W168 | W168-Q170 PolarHBondContact O-N 3.49Å; W168-Q170 VanDerWaalsContact O-N 3.14Å |
| 171 | W | 77.7 | Confident | 78.2 | Confident | 130 Ų | 130 | 106.1 Ų | 106.1 | 49% | 0.492 | 48% | 0.482 | S | S | . | . | G | 310 helix | trans | -101.2 | 25.6 | -173.5 | -66.3 | 65.2 | 0 | 0 | 0 | 112 | W168 K169 M173 I174 T175 | W168-W171 HydrophobicContact CE3-CB 4.25Å; W168-W171 PolarHBondContact O-N 3.2Å; K169-W171 VanDerWaalsContact C-N 3.33Å; W171-M173 PolarHBondContact O-N 3.36Å; W171-M173 VanDerWaalsContact O-N 3.13Å; W171-I174 HydrophobicContact CE3-CD1 3.32Å; W171-I174 HydrophobicContact CE3-CG1 3.88Å; W171-I174 HydrophobicContact CZ3-CD1 3.55Å; W171-I174 WeakPolarHBondContact O-CB 3.46Å; W171-I174 PolarHBondContact O-N 2.75Å; W171-T175 PolarHBondContact O-N 3.44Å |
| 172 | F | 81.6 | Confident | 78.8 | Confident | 130 Ų | 130 | 108.2 Ų | 108.2 | 57% | 0.57 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -57.4 | -33.7 | -174.3 | 84.2 | -90.5 | 0 | 0 | 0 | 112.9 | I174 T175 F176 | F172-I174 VanDerWaalsContact C-N 3.3Å; F172-I174 PolarHBondContact O-N 3.02Å; F172-T175 PolarHBondContact O-N 2.63Å; F172-F176 PolarHBondContact O-N 3.17Å |
| 173 | M | 85.8 | Confident | 79.4 | Confident | 105 Ų | 105 | 110.7 Ų | 110.7 | 52% | 0.517 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.5 | -36.9 | 177.4 | -68.4 | -175.5 | 65.4 | 0 | 0 | 111.7 | W171 F176 F177 | W171-M173 PolarHBondContact O-N 3.36Å; W171-M173 VanDerWaalsContact O-N 3.13Å; M173-F176 WeakPolarHBondContact O-CB 3.37Å; M173-F176 PolarHBondContact O-N 3.11Å; M173-F177 HydrophobicContact CB-CE2 4.4Å; M173-F177 HydrophobicContact CE-CE2 3.96Å; M173-F177 WeakPolarHBondContact O-CD2 3.49Å; M173-F177 PolarHBondContact O-N 3.02Å |
| 174 | I | 86.2 | Confident | 80.4 | Confident | 68 Ų | 68 | 111.9 Ų | 111.9 | 35% | 0.349 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.1 | -44.2 | 178.4 | -55.3 | -141.5 | 0 | 0 | 0 | 109.9 | P161 W171 F172 F176 F177 M178 | P161-I174 HydrophobicContact CG-CG2 4.19Å; W171-I174 HydrophobicContact CE3-CD1 3.32Å; W171-I174 HydrophobicContact CE3-CG1 3.88Å; W171-I174 HydrophobicContact CZ3-CD1 3.55Å; W171-I174 WeakPolarHBondContact O-CB 3.46Å; W171-I174 PolarHBondContact O-N 2.75Å; F172-I174 VanDerWaalsContact C-N 3.3Å; F172-I174 PolarHBondContact O-N 3.02Å; I174-F176 VanDerWaalsContact C-N 3.29Å; I174-F176 PolarHBondContact O-N 3.16Å; I174-F177 PolarHBondContact O-N 3.34Å; I174-M178 HydrophobicContact CG2-CG 4.19Å; I174-M178 WeakPolarHBondContact O-CB 3.42Å; I174-M178 VanDerWaalsContact O-CG 3.31Å; I174-M178 WeakPolarHBondContact O-CG 3.44Å; I174-M178 PolarHBondContact O-N 3.48Å |
| 175 | T | 85.2 | Confident | 81.5 | Confident | 21 Ų | 21 | 105.2 Ų | 105.2 | 13% | 0.129 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -59.3 | -42.6 | 174.6 | -54.8 | 0 | 0 | 0 | 0 | 111.5 | I160 P161 C163 W171 F172 S179 | I160-T175 HydrophobicContact CG2-CG2 3.8Å; P161-T175 WeakPolarHBondContact CG-OG1 3.48Å; P161-T175 WeakPolarHBondContact O-CB 3.26Å; P161-T175 WeakPolarHBondContact O-CG2 3.24Å; P161-T175 PolarHBondContact O-OG1 3.44Å; C163-T175 WeakPolarHBondContact SG-CB 3.4Å; C163-T175 PolarHBondContact SG-OG1 3.22Å; W171-T175 PolarHBondContact O-N 3.44Å; F172-T175 PolarHBondContact O-N 2.63Å; T175-S179 WeakPolarHBondContact O-CB 3.42Å; T175-S179 PolarHBondContact O-N 2.83Å; T175-S179 PolarHBondContact O-OG 3.47Å |
| 176 | F | 86.1 | Confident | 82.4 | Confident | 129 Ų | 129 | 102.4 Ų | 102.4 | 57% | 0.566 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.6 | -53.9 | 176.5 | 178.1 | -98.2 | 0 | 0 | 0 | 111.6 | F172 M173 I174 M178 S179 A180 | F172-F176 PolarHBondContact O-N 3.17Å; M173-F176 WeakPolarHBondContact O-CB 3.37Å; M173-F176 PolarHBondContact O-N 3.11Å; I174-F176 VanDerWaalsContact C-N 3.29Å; I174-F176 PolarHBondContact O-N 3.16Å; F176-M178 PolarHBondContact O-N 3.42Å; F176-S179 PolarHBondContact O-N 3.22Å; F176-S179 PolarHBondContact O-OG 3.47Å; F176-A180 PolarHBondContact O-N 3.03Å |
| 177 | F | 88.4 | Confident | 83.6 | Confident | 121 Ų | 121 | 94.3 Ų | 94.3 | 53% | 0.531 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.4 | -41 | 179.6 | -73.4 | -63.4 | 0 | 0 | 0 | 112.7 | M173 I174 S179 A180 V181 | M173-F177 HydrophobicContact CB-CE2 4.4Å; M173-F177 HydrophobicContact CE-CE2 3.96Å; M173-F177 WeakPolarHBondContact O-CD2 3.49Å; M173-F177 PolarHBondContact O-N 3.02Å; I174-F177 PolarHBondContact O-N 3.34Å; F177-S179 VanDerWaalsContact C-N 3.35Å; F177-S179 PolarHBondContact O-N 3.06Å; F177-A180 PolarHBondContact O-N 3.04Å; F177-V181 WeakPolarHBondContact O-CG2 3.43Å; F177-V181 PolarHBondContact O-N 2.93Å |
| 178 | M | 87.9 | Confident | 84.9 | Confident | 84 Ų | 84 | 94.6 Ų | 94.6 | 41% | 0.414 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.1 | -40 | 176.8 | -74.4 | -63.1 | 178.6 | 0 | 0 | 111.9 | I174 F176 A180 V181 W182 | I174-M178 HydrophobicContact CG2-CG 4.19Å; I174-M178 WeakPolarHBondContact O-CB 3.42Å; I174-M178 VanDerWaalsContact O-CG 3.31Å; I174-M178 WeakPolarHBondContact O-CG 3.44Å; I174-M178 PolarHBondContact O-N 3.48Å; F176-M178 PolarHBondContact O-N 3.42Å; M178-A180 VanDerWaalsContact C-N 3.35Å; M178-V181 PolarHBondContact O-N 3.06Å; M178-W182 PolarHBondContact O-N 3.49Å; M178-W182 VanDerWaalsContact O-N 3.08Å |
| 179 | S | 88.6 | Confident | 86.1 | Confident | 36 Ų | 36 | 93.4 Ų | 93.4 | 25% | 0.252 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 174.1 | 71.7 | 0 | 0 | 0 | 0 | 111.9 | T175 F176 F177 V181 W182 I183 | T175-S179 WeakPolarHBondContact O-CB 3.42Å; T175-S179 PolarHBondContact O-N 2.83Å; T175-S179 PolarHBondContact O-OG 3.47Å; F176-S179 PolarHBondContact O-N 3.22Å; F176-S179 PolarHBondContact O-OG 3.47Å; F177-S179 VanDerWaalsContact C-N 3.35Å; F177-S179 PolarHBondContact O-N 3.06Å; S179-V181 PolarHBondContact O-N 3.16Å; S179-W182 PolarHBondContact O-N 3.32Å; S179-I183 VanDerWaalsContact O-CG1 3.24Å; S179-I183 WeakPolarHBondContact O-CG1 3.27Å; S179-I183 PolarHBondContact O-N 3.37Å |
| 180 | A | 87.8 | Confident | 87.1 | Confident | 44 Ų | 44 | 89.6 Ų | 89.6 | 36% | 0.364 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F176 F177 M178 I183 S184 | F176-A180 PolarHBondContact O-N 3.03Å; F177-A180 PolarHBondContact O-N 3.04Å; M178-A180 VanDerWaalsContact C-N 3.35Å; A180-I183 PolarHBondContact O-N 3.25Å; A180-S184 WeakPolarHBondContact O-CB 3.47Å; A180-S184 PolarHBondContact O-N 3.07Å; A180-S184 PolarHBondContact O-OG 2.97Å |
| 181 | V | 90.3 | Very high | 87.9 | Confident | 86 Ų | 86 | 84.3 Ų | 84.3 | 52% | 0.521 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.8 | -41 | 175.1 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | F177 M178 S179 S184 A185 | F177-V181 WeakPolarHBondContact O-CG2 3.43Å; F177-V181 PolarHBondContact O-N 2.93Å; M178-V181 PolarHBondContact O-N 3.06Å; S179-V181 PolarHBondContact O-N 3.16Å; V181-S184 PolarHBondContact O-N 3.05Å; V181-S184 PolarHBondContact O-OG 3.47Å; V181-A185 WeakPolarHBondContact O-CB 3.32Å; V181-A185 PolarHBondContact O-N 3Å |
| 182 | W | 88.1 | Confident | 88.6 | Confident | 58 Ų | 58 | 84.5 Ų | 84.5 | 22% | 0.22 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -68.6 | -42.2 | 176.5 | -85.7 | 111.1 | 0 | 0 | 0 | 112.7 | L155 L156 T159 M178 S179 S184 A185 F186 | L155-W182 HydrophobicContact CD1-CH2 4.13Å; L155-W182 HydrophobicContact CD2-CD2 4.47Å; L155-W182 HydrophobicContact CD2-CE3 4.25Å; L155-W182 HydrophobicContact CD2-CH2 3.12Å; L155-W182 HydrophobicContact CD2-CZ2 3.34Å; L155-W182 HydrophobicContact CD2-CZ3 3.6Å; L155-W182 HydrophobicContact CG-CH2 4Å; L155-W182 HydrophobicContact CG-CZ2 4.17Å; L156-W182 HydrophobicContact CD2-CB 3.94Å; L156-W182 HydrophobicContact CD2-CD2 3.56Å; L156-W182 HydrophobicContact CD2-CE3 3.96Å; L156-W182 HydrophobicContact CD2-CG 3.52Å; T159-W182 HydrophobicContact CG2-CZ2 4.12Å; T159-W182 PolarHBondContact OG1-NE1 2.77Å; M178-W182 PolarHBondContact O-N 3.49Å; M178-W182 VanDerWaalsContact O-N 3.08Å; S179-W182 PolarHBondContact O-N 3.32Å; W182-S184 VanDerWaalsContact C-N 3.32Å; W182-S184 PolarHBondContact O-N 2.75Å; W182-A185 PolarHBondContact O-N 2.79Å; W182-F186 HydrophobicContact CB-CE2 4.24Å; W182-F186 HydrophobicContact CD2-CE2 4.47Å; W182-F186 HydrophobicContact CE3-CD2 4.47Å; W182-F186 HydrophobicContact CE3-CE1 4.25Å; W182-F186 AromaticContact CE3-CE2 3.8Å; W182-F186 HydrophobicContact CE3-CE2 3.8Å; W182-F186 AromaticContact CE3-CZ 3.66Å; W182-F186 HydrophobicContact CE3-CZ 3.66Å; W182-F186 HydrophobicContact CZ3-CE1 4.39Å; W182-F186 HydrophobicContact CZ3-CZ 4.08Å; W182-F186 WeakPolarHBondContact O-CD2 3.48Å; W182-F186 WeakPolarHBondContact O-CG 3.46Å; W182-F186 PolarHBondContact O-N 2.97Å |
| 183 | I | 88.4 | Confident | 89.1 | Confident | 108 Ų | 108 | 82.5 Ų | 82.5 | 55% | 0.554 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -58.4 | -47.5 | 174.5 | -68.6 | 164.4 | 0 | 0 | 0 | 109.5 | S179 A180 A185 F186 T187 | S179-I183 VanDerWaalsContact O-CG1 3.24Å; S179-I183 WeakPolarHBondContact O-CG1 3.27Å; S179-I183 PolarHBondContact O-N 3.37Å; A180-I183 PolarHBondContact O-N 3.25Å; I183-A185 PolarHBondContact O-N 3.31Å; I183-F186 PolarHBondContact O-N 3.22Å; I183-T187 WeakPolarHBondContact O-CB 3.1Å; I183-T187 PolarHBondContact O-N 3.41Å; I183-T187 PolarHBondContact O-OG1 2.81Å |
| 184 | S | 88.6 | Confident | 89.4 | Confident | 72 Ų | 72 | 78.5 Ų | 78.5 | 50% | 0.503 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 179 | 70.6 | 0 | 0 | 0 | 0 | 112.8 | A180 V181 W182 T187 Y188 | A180-S184 WeakPolarHBondContact O-CB 3.47Å; A180-S184 PolarHBondContact O-N 3.07Å; A180-S184 PolarHBondContact O-OG 2.97Å; V181-S184 PolarHBondContact O-N 3.05Å; V181-S184 PolarHBondContact O-OG 3.47Å; W182-S184 VanDerWaalsContact C-N 3.32Å; W182-S184 PolarHBondContact O-N 2.75Å; S184-T187 PolarHBondContact O-N 2.88Å; S184-Y188 WeakPolarHBondContact O-CB 3.37Å; S184-Y188 PolarHBondContact O-N 3.43Å |
| 185 | A | 90.9 | Very high | 89.6 | Confident | 42 Ų | 42 | 77.4 Ų | 77.4 | 35% | 0.347 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V181 W182 I183 Y188 V189 | V181-A185 WeakPolarHBondContact O-CB 3.32Å; V181-A185 PolarHBondContact O-N 3Å; W182-A185 PolarHBondContact O-N 2.79Å; I183-A185 PolarHBondContact O-N 3.31Å; A185-Y188 PolarHBondContact O-N 3.28Å; A185-V189 WeakPolarHBondContact O-CG2 3.44Å; A185-V189 PolarHBondContact O-N 2.96Å; A185-V189 VanDerWaalsContact O-N 3.11Å |
| 186 | F | 88.8 | Confident | 90 | Very high | 88 Ų | 88 | 79.1 Ų | 79.1 | 39% | 0.386 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.7 | -40.6 | 176.8 | -69.4 | -50.5 | 0 | 0 | 0 | 112.3 | V152 L156 W182 I183 Y188 V189 L190 | V152-F186 HydrophobicContact CG1-CE1 4.19Å; V152-F186 HydrophobicContact CG1-CZ 3.79Å; L156-F186 HydrophobicContact CD1-CE2 4.03Å; L156-F186 HydrophobicContact CD1-CZ 4.17Å; L156-F186 HydrophobicContact CD2-CE2 3.77Å; L156-F186 HydrophobicContact CD2-CZ 4.02Å; L156-F186 HydrophobicContact CG-CE2 4.37Å; L156-F186 HydrophobicContact CG-CZ 4.34Å; W182-F186 HydrophobicContact CB-CE2 4.24Å; W182-F186 HydrophobicContact CD2-CE2 4.47Å; W182-F186 HydrophobicContact CE3-CD2 4.47Å; W182-F186 HydrophobicContact CE3-CE1 4.25Å; W182-F186 AromaticContact CE3-CE2 3.8Å; W182-F186 HydrophobicContact CE3-CE2 3.8Å; W182-F186 AromaticContact CE3-CZ 3.66Å; W182-F186 HydrophobicContact CE3-CZ 3.66Å; W182-F186 HydrophobicContact CZ3-CE1 4.39Å; W182-F186 HydrophobicContact CZ3-CZ 4.08Å; W182-F186 WeakPolarHBondContact O-CD2 3.48Å; W182-F186 WeakPolarHBondContact O-CG 3.46Å; W182-F186 PolarHBondContact O-N 2.97Å; I183-F186 PolarHBondContact O-N 3.22Å; F186-Y188 VanDerWaalsContact C-N 3.32Å; F186-Y188 PolarHBondContact O-N 3.35Å; F186-V189 PolarHBondContact O-N 3.34Å; F186-L190 VanDerWaalsContact O-CB 3.27Å; F186-L190 WeakPolarHBondContact O-CB 3.4Å; F186-L190 PolarHBondContact O-N 3.16Å |
| 187 | T | 89.5 | Confident | 90.3 | Very high | 75 Ų | 75 | 75.9 Ų | 75.9 | 46% | 0.46 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 175.5 | -59.8 | 0 | 0 | 0 | 0 | 111.2 | I183 S184 L190 V191 | I183-T187 WeakPolarHBondContact O-CB 3.1Å; I183-T187 PolarHBondContact O-N 3.41Å; I183-T187 PolarHBondContact O-OG1 2.81Å; S184-T187 PolarHBondContact O-N 2.88Å; T187-L190 PolarHBondContact O-N 3.37Å; T187-V191 HydrophobicContact CG2-CG2 4.41Å; T187-V191 VanDerWaalsContact O-CG2 3.32Å; T187-V191 WeakPolarHBondContact O-CG2 3.5Å; T187-V191 PolarHBondContact O-N 2.73Å |
| 188 | Y | 91.6 | Very high | 90.4 | Very high | 165 Ų | 165 | 70.1 Ų | 70.1 | 65% | 0.647 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -61 | -48.7 | 175.4 | 176.6 | -98.2 | 0 | 0 | 0 | 112.1 | S184 A185 F186 L190 V191 W192 | S184-Y188 WeakPolarHBondContact O-CB 3.37Å; S184-Y188 PolarHBondContact O-N 3.43Å; A185-Y188 PolarHBondContact O-N 3.28Å; F186-Y188 VanDerWaalsContact C-N 3.32Å; F186-Y188 PolarHBondContact O-N 3.35Å; Y188-L190 VanDerWaalsContact C-N 3.3Å; Y188-L190 PolarHBondContact O-N 3.12Å; Y188-V191 PolarHBondContact O-N 2.85Å; Y188-W192 WeakPolarHBondContact O-CB 3.39Å; Y188-W192 PolarHBondContact O-N 3.32Å |
| 189 | V | 91.8 | Very high | 90.5 | Very high | 71 Ų | 71 | 73.2 Ų | 73.2 | 43% | 0.43 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.2 | -40.3 | 177.2 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | A185 F186 W192 M193 | A185-V189 WeakPolarHBondContact O-CG2 3.44Å; A185-V189 PolarHBondContact O-N 2.96Å; A185-V189 VanDerWaalsContact O-N 3.11Å; F186-V189 PolarHBondContact O-N 3.34Å; V189-W192 PolarHBondContact O-N 3.26Å; V189-M193 HydrophobicContact CG1-CG 4.2Å; V189-M193 WeakPolarHBondContact O-CB 3.27Å; V189-M193 WeakPolarHBondContact O-CG 3.44Å; V189-M193 PolarHBondContact O-N 3.05Å |
| 190 | L | 90.6 | Very high | 90.7 | Very high | 79 Ų | 79 | 76.6 Ų | 76.6 | 41% | 0.414 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.5 | -51 | 178 | -171.7 | 163.1 | 0 | 0 | 0 | 110.9 | F186 T187 Y188 W192 M193 V194 L213 | F186-L190 VanDerWaalsContact O-CB 3.27Å; F186-L190 WeakPolarHBondContact O-CB 3.4Å; F186-L190 PolarHBondContact O-N 3.16Å; T187-L190 PolarHBondContact O-N 3.37Å; Y188-L190 VanDerWaalsContact C-N 3.3Å; Y188-L190 PolarHBondContact O-N 3.12Å; L190-W192 VanDerWaalsContact C-N 3.35Å; L190-W192 PolarHBondContact O-N 2.92Å; L190-M193 PolarHBondContact O-N 3.21Å; L190-V194 HydrophobicContact CD2-CG2 4.01Å; L190-V194 WeakPolarHBondContact O-CB 3.32Å; L190-V194 VanDerWaalsContact O-CG2 3.27Å; L190-V194 WeakPolarHBondContact O-CG2 3.35Å; L190-V194 PolarHBondContact O-N 3.19Å; L190-L213 HydrophobicContact CD2-CD1 3.18Å; L190-L213 HydrophobicContact CD2-CG 4.15Å |
| 191 | V | 91.8 | Very high | 90.8 | Very high | 58 Ų | 58 | 79.5 Ų | 79.5 | 35% | 0.352 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.6 | -47 | 177.9 | 173.4 | 0 | 0 | 0 | 0 | 110.5 | T187 Y188 M193 V194 T195 L213 | T187-V191 HydrophobicContact CG2-CG2 4.41Å; T187-V191 VanDerWaalsContact O-CG2 3.32Å; T187-V191 WeakPolarHBondContact O-CG2 3.5Å; T187-V191 PolarHBondContact O-N 2.73Å; Y188-V191 PolarHBondContact O-N 2.85Å; V191-M193 PolarHBondContact O-N 2.88Å; V191-V194 PolarHBondContact O-N 3.24Å; V191-T195 HydrophobicContact CG1-CG2 4.47Å; V191-T195 WeakPolarHBondContact O-CG2 3.32Å; V191-T195 PolarHBondContact O-N 3.23Å; V191-T195 PolarHBondContact O-OG1 3.36Å; V191-L213 HydrophobicContact CG2-CD1 4.01Å; V191-L213 HydrophobicContact CG2-CD2 4.13Å |
| 192 | W | 92.6 | Very high | 90.6 | Very high | 134 Ų | 134 | 80.2 Ų | 80.2 | 51% | 0.508 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 179.4 | 177.9 | 43.5 | 0 | 0 | 0 | 113 | Y188 V189 L190 T195 V196 | Y188-W192 WeakPolarHBondContact O-CB 3.39Å; Y188-W192 PolarHBondContact O-N 3.32Å; V189-W192 PolarHBondContact O-N 3.26Å; L190-W192 VanDerWaalsContact C-N 3.35Å; L190-W192 PolarHBondContact O-N 2.92Å; W192-T195 PolarHBondContact O-OG1 3.41Å; W192-V196 VanDerWaalsContact O-CG2 3.27Å; W192-V196 WeakPolarHBondContact O-CG2 3.16Å; W192-V196 PolarHBondContact O-N 2.95Å; W192-V196 VanDerWaalsContact O-N 3.09Å |
| 193 | M | 92.4 | Very high | 90.5 | Very high | 88 Ų | 88 | 80 Ų | 80 | 43% | 0.433 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -67.2 | -38.7 | 176.8 | -70.1 | -70.8 | 139.9 | 0 | 0 | 111.8 | V189 L190 V191 V196 V197 | V189-M193 HydrophobicContact CG1-CG 4.2Å; V189-M193 WeakPolarHBondContact O-CB 3.27Å; V189-M193 WeakPolarHBondContact O-CG 3.44Å; V189-M193 PolarHBondContact O-N 3.05Å; L190-M193 PolarHBondContact O-N 3.21Å; V191-M193 PolarHBondContact O-N 2.88Å; M193-V196 PolarHBondContact O-N 3.33Å; M193-V197 WeakPolarHBondContact O-CB 3.42Å; M193-V197 VanDerWaalsContact O-CG2 3.3Å; M193-V197 WeakPolarHBondContact O-CG2 3.02Å; M193-V197 PolarHBondContact O-N 2.98Å |
| 194 | V | 92.1 | Very high | 90.3 | Very high | 21 Ų | 21 | 76.4 Ų | 76.4 | 13% | 0.127 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 178.2 | 165.9 | 0 | 0 | 0 | 0 | 111.4 | L190 V191 V197 G198 M208 L213 | L190-V194 HydrophobicContact CD2-CG2 4.01Å; L190-V194 WeakPolarHBondContact O-CB 3.32Å; L190-V194 VanDerWaalsContact O-CG2 3.27Å; L190-V194 WeakPolarHBondContact O-CG2 3.35Å; L190-V194 PolarHBondContact O-N 3.19Å; V191-V194 PolarHBondContact O-N 3.24Å; V194-V197 PolarHBondContact O-N 3.45Å; V194-G198 PolarHBondContact O-N 2.85Å; V194-M208 HydrophobicContact CG1-CB 3.8Å; V194-M208 HydrophobicContact CG1-CE 4.09Å; V194-L213 HydrophobicContact CB-CD1 4.16Å; V194-L213 HydrophobicContact CG1-CD1 4.11Å; V194-L213 HydrophobicContact CG2-CD1 4.04Å |
| 195 | T | 90.6 | Very high | 90.2 | Very high | 45 Ų | 45 | 77.4 Ų | 77.4 | 28% | 0.276 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67.6 | -43.3 | 176.5 | 57 | 0 | 0 | 0 | 0 | 111.6 | V191 W192 V197 G198 E199 | V191-T195 HydrophobicContact CG1-CG2 4.47Å; V191-T195 WeakPolarHBondContact O-CG2 3.32Å; V191-T195 PolarHBondContact O-N 3.23Å; V191-T195 PolarHBondContact O-OG1 3.36Å; W192-T195 PolarHBondContact O-OG1 3.41Å; T195-V197 VanDerWaalsContact C-N 3.32Å; T195-V197 PolarHBondContact O-N 2.84Å; T195-G198 PolarHBondContact O-N 3.15Å; T195-G198 VanDerWaalsContact O-N 3.12Å; T195-E199 PolarHBondContact O-N 2.92Å |
| 196 | V | 93.2 | Very high | 89.8 | Confident | 57 Ų | 57 | 78.2 Ų | 78.2 | 35% | 0.345 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60 | -43.1 | 176.2 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | W192 M193 E199 T200 | W192-V196 VanDerWaalsContact O-CG2 3.27Å; W192-V196 WeakPolarHBondContact O-CG2 3.16Å; W192-V196 PolarHBondContact O-N 2.95Å; W192-V196 VanDerWaalsContact O-N 3.09Å; M193-V196 PolarHBondContact O-N 3.33Å; V196-E199 PolarHBondContact O-N 3.4Å; V196-T200 WeakPolarHBondContact O-CG2 3.27Å; V196-T200 PolarHBondContact O-N 3.22Å; V196-T200 PolarHBondContact O-OG1 3.12Å |
| 197 | V | 92.4 | Very high | 89.6 | Confident | 62 Ų | 62 | 74.5 Ų | 74.5 | 38% | 0.376 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 175.9 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | M193 V194 T195 T200 L201 M208 | M193-V197 WeakPolarHBondContact O-CB 3.42Å; M193-V197 VanDerWaalsContact O-CG2 3.3Å; M193-V197 WeakPolarHBondContact O-CG2 3.02Å; M193-V197 PolarHBondContact O-N 2.98Å; V194-V197 PolarHBondContact O-N 3.45Å; T195-V197 VanDerWaalsContact C-N 3.32Å; T195-V197 PolarHBondContact O-N 2.84Å; V197-T200 WeakPolarHBondContact CA-OG1 3.47Å; V197-T200 PolarHBondContact O-N 2.92Å; V197-T200 PolarHBondContact O-OG1 2.99Å; V197-L201 HydrophobicContact CG1-CD1 3.71Å; V197-L201 HydrophobicContact CG1-CG 4.28Å; V197-L201 WeakPolarHBondContact O-CB 3.5Å; V197-L201 WeakPolarHBondContact O-CG 3.45Å; V197-L201 PolarHBondContact O-N 3.17Å; V197-M208 HydrophobicContact CB-CE 4.34Å; V197-M208 HydrophobicContact CG1-CE 4.02Å |
| 198 | G | 90.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -56.5 | -49.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V194 T195 T200 L201 D202 I203 | V194-G198 PolarHBondContact O-N 2.85Å; T195-G198 PolarHBondContact O-N 3.15Å; T195-G198 VanDerWaalsContact O-N 3.12Å; G198-T200 VanDerWaalsContact C-N 3.34Å; G198-T200 PolarHBondContact O-N 3.35Å; G198-L201 PolarHBondContact O-N 3.37Å; G198-D202 PolarHBondContact O-N 3.26Å; G198-I203 PolarHBondContact O-N 3.02Å |
| 199 | E | 90.4 | Very high | 89.4 | Confident | 149 Ų | 149 | 64.8 Ų | 64.8 | 70% | 0.696 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -60.4 | -40.6 | 175.6 | -70.7 | -178.8 | 174.4 | 0 | 0 | 112.2 | T195 V196 L201 D202 | T195-E199 PolarHBondContact O-N 2.92Å; V196-E199 PolarHBondContact O-N 3.4Å; E199-L201 VanDerWaalsContact C-N 3.32Å; E199-L201 PolarHBondContact O-N 3.34Å; E199-D202 PolarHBondContact O-N 3.03Å |
| 200 | T | 92.4 | Very high | 89.1 | Confident | 106 Ų | 106 | 64.3 Ų | 64.3 | 65% | 0.65 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -70.1 | -26.7 | 178.6 | 59.3 | 0 | 0 | 0 | 0 | 114.2 | V196 V197 G198 | V196-T200 WeakPolarHBondContact O-CG2 3.27Å; V196-T200 PolarHBondContact O-N 3.22Å; V196-T200 PolarHBondContact O-OG1 3.12Å; V197-T200 WeakPolarHBondContact CA-OG1 3.47Å; V197-T200 PolarHBondContact O-N 2.92Å; V197-T200 PolarHBondContact O-OG1 2.99Å; G198-T200 VanDerWaalsContact C-N 3.34Å; G198-T200 PolarHBondContact O-N 3.35Å |
| 201 | L | 89.6 | Confident | 89 | Confident | 106 Ų | 106 | 62.7 Ų | 62.7 | 56% | 0.555 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -97.8 | -0.6 | -179 | -66.2 | 178.5 | 0 | 0 | 0 | 113.1 | V197 G198 E199 I203 | V197-L201 HydrophobicContact CG1-CD1 3.71Å; V197-L201 HydrophobicContact CG1-CG 4.28Å; V197-L201 WeakPolarHBondContact O-CB 3.5Å; V197-L201 WeakPolarHBondContact O-CG 3.45Å; V197-L201 PolarHBondContact O-N 3.17Å; G198-L201 PolarHBondContact O-N 3.37Å; E199-L201 VanDerWaalsContact C-N 3.32Å; E199-L201 PolarHBondContact O-N 3.34Å; L201-I203 VanDerWaalsContact C-N 3.25Å; L201-I203 HydrophobicContact CB-CD1 3.82Å; L201-I203 HydrophobicContact CB-CG1 3.91Å; L201-I203 HydrophobicContact CD1-CD1 4.15Å; L201-I203 PolarHBondContact O-N 3.45Å |
| 202 | D | 87.6 | Confident | 88.9 | Confident | 100 Ų | 100 | 64.5 Ų | 64.5 | 54% | 0.535 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 39.7 | -174.1 | -160.2 | 28.7 | 0 | 0 | 0 | 113 | G198 E199 L335 | G198-D202 PolarHBondContact O-N 3.26Å; E199-D202 PolarHBondContact O-N 3.03Å; D202-L335 VanDerWaalsContact OD1-CD2 3.25Å; D202-L335 WeakPolarHBondContact OD1-CD2 3.23Å |
| 203 | I | 85.9 | Confident | 88.7 | Confident | 54 Ų | 54 | 60.5 Ų | 60.5 | 28% | 0.277 | 34% | 0.337 | S | S | . | . | trans | -107.4 | 128.9 | 178.7 | -60.2 | 174.9 | 0 | 0 | 0 | 108.5 | G198 L201 V207 M208 | G198-I203 PolarHBondContact O-N 3.02Å; L201-I203 VanDerWaalsContact C-N 3.25Å; L201-I203 HydrophobicContact CB-CD1 3.82Å; L201-I203 HydrophobicContact CB-CG1 3.91Å; L201-I203 HydrophobicContact CD1-CD1 4.15Å; L201-I203 PolarHBondContact O-N 3.45Å; I203-V207 HydrophobicContact CG2-CB 3.8Å; I203-V207 HydrophobicContact CG2-CG1 3.78Å; I203-M208 HydrophobicContact CB-CG 4.33Å; I203-M208 HydrophobicContact CB-SD 4.24Å; I203-M208 HydrophobicContact CD1-SD 4.38Å; I203-M208 HydrophobicContact CG2-CG 3.94Å; I203-M208 HydrophobicContact CG2-SD 3.94Å | ||
| 204 | P | 84.4 | Confident | 88.5 | Confident | 33 Ų | 33 | 58.1 Ų | 58.1 | 21% | 0.214 | 33% | 0.332 | C | S | . | . | trans | -56.6 | 141.7 | 178.8 | -23.6 | 32.1 | 0 | 0 | 0 | 113.1 | T206 V207 M208 M325 | P204-T206 PolarHBondContact O-N 2.92Å; P204-T206 VanDerWaalsContact O-N 3.14Å; P204-V207 HydrophobicContact CB-CG2 4.34Å; P204-V207 HydrophobicContact CG-CG2 4.42Å; P204-V207 WeakPolarHBondContact O-CB 3.37Å; P204-V207 PolarHBondContact O-N 3.43Å; P204-M208 PolarHBondContact O-N 3.11Å; P204-M325 VanDerWaalsContact CD-SD 3.59Å; P204-M325 HydrophobicContact CG-SD 4.08Å | ||
| 205 | D | 84.7 | Confident | 88.2 | Confident | 93 Ų | 93 | 59.2 Ų | 59.2 | 50% | 0.497 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -54.8 | -35.4 | 178.7 | -69.6 | -26.5 | 0 | 0 | 0 | 112.8 | V207 M208 G209 | D205-V207 VanDerWaalsContact C-N 3.31Å; D205-V207 PolarHBondContact O-N 3.3Å; D205-M208 PolarHBondContact O-N 2.96Å; D205-G209 PolarHBondContact O-N 3.42Å |
| 206 | T | 82.8 | Confident | 88 | Confident | 59 Ų | 59 | 58.7 Ų | 58.7 | 36% | 0.362 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.1 | -43.2 | 175.5 | -42.6 | 0 | 0 | 0 | 0 | 111.5 | P204 G209 L210 I279 E324 | P204-T206 PolarHBondContact O-N 2.92Å; P204-T206 VanDerWaalsContact O-N 3.14Å; T206-G209 PolarHBondContact O-N 3.2Å; T206-L210 HydrophobicContact CG2-CD1 4.04Å; T206-L210 HydrophobicContact CG2-CG 4.5Å; T206-L210 WeakPolarHBondContact O-CB 3.39Å; T206-L210 WeakPolarHBondContact O-CG 3.45Å; T206-L210 PolarHBondContact O-N 2.87Å; T206-I279 HydrophobicContact CG2-CD1 4.09Å; T206-E324 VanDerWaalsContact CB-OE1 3.22Å; T206-E324 WeakPolarHBondContact CB-OE1 3.14Å; T206-E324 HydrophobicContact CG2-CG 4.22Å; T206-E324 WeakPolarHBondContact CG2-OE1 3.31Å; T206-E324 PolarHBondContact OG1-OE1 3.46Å |
| 207 | V | 85.8 | Confident | 87.6 | Confident | 9 Ų | 9 | 59.7 Ų | 59.7 | 6% | 0.055 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -69.7 | -41.5 | -179.5 | 176.6 | 0 | 0 | 0 | 0 | 110.6 | I203 P204 D205 G209 L210 T211 I321 E324 M325 | I203-V207 HydrophobicContact CG2-CB 3.8Å; I203-V207 HydrophobicContact CG2-CG1 3.78Å; P204-V207 HydrophobicContact CB-CG2 4.34Å; P204-V207 HydrophobicContact CG-CG2 4.42Å; P204-V207 WeakPolarHBondContact O-CB 3.37Å; P204-V207 PolarHBondContact O-N 3.43Å; D205-V207 VanDerWaalsContact C-N 3.31Å; D205-V207 PolarHBondContact O-N 3.3Å; V207-G209 VanDerWaalsContact C-N 3.31Å; V207-G209 PolarHBondContact O-N 3.47Å; V207-L210 PolarHBondContact O-N 2.72Å; V207-T211 HydrophobicContact CG1-CG2 4.49Å; V207-T211 WeakPolarHBondContact O-CB 3.29Å; V207-T211 WeakPolarHBondContact O-CG2 3.24Å; V207-T211 PolarHBondContact O-N 3.35Å; V207-T211 VanDerWaalsContact O-N 3.08Å; V207-T211 PolarHBondContact O-OG1 3.18Å; V207-I321 HydrophobicContact CG1-CG1 4.33Å; V207-I321 HydrophobicContact CG1-CG2 3.93Å; V207-E324 HydrophobicContact CG2-CB 3.89Å; V207-E324 HydrophobicContact CG2-CG 3.68Å; V207-M325 HydrophobicContact CG2-CG 4.48Å; V207-M325 HydrophobicContact CG2-SD 4.21Å |
| 208 | M | 88.5 | Confident | 87.3 | Confident | 9 Ų | 9 | 58.8 Ų | 58.8 | 4% | 0.044 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.1 | -38.4 | 175.9 | -67.2 | -60.7 | -74.6 | 0 | 0 | 111.8 | V194 V197 I203 P204 D205 L212 L213 | V194-M208 HydrophobicContact CG1-CB 3.8Å; V194-M208 HydrophobicContact CG1-CE 4.09Å; V197-M208 HydrophobicContact CB-CE 4.34Å; V197-M208 HydrophobicContact CG1-CE 4.02Å; I203-M208 HydrophobicContact CB-CG 4.33Å; I203-M208 HydrophobicContact CB-SD 4.24Å; I203-M208 HydrophobicContact CD1-SD 4.38Å; I203-M208 HydrophobicContact CG2-CG 3.94Å; I203-M208 HydrophobicContact CG2-SD 3.94Å; P204-M208 PolarHBondContact O-N 3.11Å; D205-M208 PolarHBondContact O-N 2.96Å; M208-L212 HydrophobicContact CE-CD1 3.45Å; M208-L212 VanDerWaalsContact CE-CD1 3.45Å; M208-L212 HydrophobicContact CE-CG 4.36Å; M208-L212 PolarHBondContact O-N 3.47Å; M208-L212 HydrophobicContact SD-CD1 4.4Å; M208-L213 PolarHBondContact O-N 3.25Å |
| 209 | G | 88.1 | Confident | 87 | Confident | 27 Ų | 27 | 63.6 Ų | 63.6 | 28% | 0.278 | 37% | 0.374 | S | S | . | . | I | π-helix | trans | -62.7 | -50.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D205 T206 V207 T211 L213 A214 | D205-G209 PolarHBondContact O-N 3.42Å; T206-G209 PolarHBondContact O-N 3.2Å; V207-G209 VanDerWaalsContact C-N 3.31Å; V207-G209 PolarHBondContact O-N 3.47Å; G209-T211 PolarHBondContact O-N 2.78Å; G209-L213 WeakPolarHBondContact O-CB 3.46Å; G209-A214 PolarHBondContact O-N 3.04Å |
| 210 | L | 85 | Confident | 86.7 | Confident | 61 Ų | 61 | 60.1 Ų | 60.1 | 32% | 0.319 | 36% | 0.364 | S | S | . | . | I | π-helix | trans | -65.4 | -20.6 | -179.7 | -72.2 | 168.6 | 0 | 0 | 0 | 113.9 | T206 V207 A214 I279 | T206-L210 HydrophobicContact CG2-CD1 4.04Å; T206-L210 HydrophobicContact CG2-CG 4.5Å; T206-L210 WeakPolarHBondContact O-CB 3.39Å; T206-L210 WeakPolarHBondContact O-CG 3.45Å; T206-L210 PolarHBondContact O-N 2.87Å; V207-L210 PolarHBondContact O-N 2.72Å; L210-A214 WeakPolarHBondContact O-CB 3.39Å; L210-I279 HydrophobicContact CD1-CD1 3.93Å; L210-I279 HydrophobicContact CD1-CG1 4.45Å; L210-I279 HydrophobicContact CD2-CG2 4.23Å |
| 211 | T | 89.3 | Confident | 86.2 | Confident | 46 Ų | 46 | 58.2 Ų | 58.2 | 28% | 0.282 | 35% | 0.35 | S | S | . | . | I | π-helix | trans | -110.2 | -76.6 | -174.6 | 56.1 | 0 | 0 | 0 | 0 | 112.4 | V207 G209 A215 I321 | V207-T211 HydrophobicContact CG1-CG2 4.49Å; V207-T211 WeakPolarHBondContact O-CB 3.29Å; V207-T211 WeakPolarHBondContact O-CG2 3.24Å; V207-T211 PolarHBondContact O-N 3.35Å; V207-T211 VanDerWaalsContact O-N 3.08Å; V207-T211 PolarHBondContact O-OG1 3.18Å; G209-T211 PolarHBondContact O-N 2.78Å; T211-A215 WeakPolarHBondContact O-CB 3.49Å; T211-A215 PolarHBondContact O-N 3.39Å; T211-I321 HydrophobicContact CG2-CD1 3.55Å; T211-I321 HydrophobicContact CG2-CG1 4.12Å |
| 212 | L | 88.5 | Confident | 85.8 | Confident | 96 Ų | 96 | 56.6 Ų | 56.6 | 50% | 0.503 | 35% | 0.345 | S | S | . | . | I | π-helix | trans | -69.7 | -44.2 | -173.1 | -67.3 | -174 | 0 | 0 | 0 | 112 | M208 G216 | M208-L212 HydrophobicContact CE-CD1 3.45Å; M208-L212 VanDerWaalsContact CE-CD1 3.45Å; M208-L212 HydrophobicContact CE-CG 4.36Å; M208-L212 PolarHBondContact O-N 3.47Å; M208-L212 HydrophobicContact SD-CD1 4.4Å; L212-G216 PolarHBondContact O-N 3.44Å |
| 213 | L | 88.7 | Confident | 85.6 | Confident | 49 Ų | 49 | 55.3 Ų | 55.3 | 26% | 0.257 | 34% | 0.34 | S | S | . | . | I | π-helix | trans | -67.7 | -49.3 | -178.8 | -138.9 | 82 | 0 | 0 | 0 | 110.7 | L190 V191 V194 M208 G209 A215 G216 T217 | L190-L213 HydrophobicContact CD2-CD1 3.18Å; L190-L213 HydrophobicContact CD2-CG 4.15Å; V191-L213 HydrophobicContact CG2-CD1 4.01Å; V191-L213 HydrophobicContact CG2-CD2 4.13Å; V194-L213 HydrophobicContact CB-CD1 4.16Å; V194-L213 HydrophobicContact CG1-CD1 4.11Å; V194-L213 HydrophobicContact CG2-CD1 4.04Å; M208-L213 PolarHBondContact O-N 3.25Å; G209-L213 WeakPolarHBondContact O-CB 3.46Å; L213-A215 PolarHBondContact O-N 3.39Å; L213-G216 PolarHBondContact O-N 3.4Å; L213-T217 PolarHBondContact O-N 3.14Å; L213-T217 VanDerWaalsContact O-N 3.08Å; L213-T217 PolarHBondContact O-OG1 3Å |
| 214 | A | 87.7 | Confident | 85.5 | Confident | 39 Ų | 39 | 54.8 Ų | 54.8 | 32% | 0.322 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.4 | -43.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G209 L210 T217 S218 | G209-A214 PolarHBondContact O-N 3.04Å; L210-A214 WeakPolarHBondContact O-CB 3.39Å; A214-T217 PolarHBondContact O-OG1 2.93Å; A214-S218 WeakPolarHBondContact O-CB 3.4Å; A214-S218 PolarHBondContact O-N 3.08Å; A214-S218 VanDerWaalsContact O-N 3.16Å; A214-S218 PolarHBondContact O-OG 3.36Å |
| 215 | A | 87.4 | Confident | 85.5 | Confident | 43 Ų | 43 | 53.4 Ų | 53.4 | 36% | 0.355 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | T211 L213 T217 S218 I219 | T211-A215 WeakPolarHBondContact O-CB 3.49Å; T211-A215 PolarHBondContact O-N 3.39Å; L213-A215 PolarHBondContact O-N 3.39Å; A215-T217 PolarHBondContact O-N 3.2Å; A215-S218 PolarHBondContact O-N 3.25Å; A215-I219 VanDerWaalsContact O-CD1 3.26Å; A215-I219 WeakPolarHBondContact O-CD1 3.42Å; A215-I219 WeakPolarHBondContact O-CG1 3.2Å; A215-I219 PolarHBondContact O-N 2.93Å; A215-I219 VanDerWaalsContact O-N 3.1Å |
| 216 | G | 84.9 | Confident | 85.6 | Confident | 35 Ų | 35 | 52.3 Ų | 52.3 | 36% | 0.361 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.8 | -42.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L212 L213 P220 | L212-G216 PolarHBondContact O-N 3.44Å; L213-G216 PolarHBondContact O-N 3.4Å; G216-P220 WeakPolarHBondContact O-CD 3.46Å |
| 217 | T | 84.4 | Confident | 85.5 | Confident | 78 Ų | 78 | 53.6 Ų | 53.6 | 48% | 0.479 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -74.5 | -38.8 | 179.1 | 55.5 | 0 | 0 | 0 | 0 | 112.4 | L213 A214 A215 P220 | L213-T217 PolarHBondContact O-N 3.14Å; L213-T217 VanDerWaalsContact O-N 3.08Å; L213-T217 PolarHBondContact O-OG1 3Å; A214-T217 PolarHBondContact O-OG1 2.93Å; A215-T217 PolarHBondContact O-N 3.2Å; T217-P220 VanDerWaalsContact O-CD 3.28Å; T217-P220 WeakPolarHBondContact O-CD 3.49Å; T217-P220 VanDerWaalsContact O-CG 3.28Å; T217-P220 WeakPolarHBondContact O-CG 3.27Å |
| 218 | S | 87.5 | Confident | 85.2 | Confident | 42 Ų | 42 | 54.2 Ų | 54.2 | 29% | 0.294 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -82.5 | -16.4 | -175.2 | -56.9 | 0 | 0 | 0 | 0 | 115.2 | A214 A215 T222 | A214-S218 WeakPolarHBondContact O-CB 3.4Å; A214-S218 PolarHBondContact O-N 3.08Å; A214-S218 VanDerWaalsContact O-N 3.16Å; A214-S218 PolarHBondContact O-OG 3.36Å; A215-S218 PolarHBondContact O-N 3.25Å; S218-T222 VanDerWaalsContact O-CB 3.3Å; S218-T222 WeakPolarHBondContact O-CB 3.23Å; S218-T222 PolarHBondContact O-N 3.05Å; S218-T222 PolarHBondContact O-OG1 2.98Å |
| 219 | I | 83.7 | Confident | 85 | Confident | 102 Ų | 102 | 55.6 Ų | 55.6 | 52% | 0.523 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -56.7 | -54.5 | 176.3 | -76.9 | 159 | 0 | 0 | 0 | 112.8 | A215 D221 T222 V223 | A215-I219 VanDerWaalsContact O-CD1 3.26Å; A215-I219 WeakPolarHBondContact O-CD1 3.42Å; A215-I219 WeakPolarHBondContact O-CG1 3.2Å; A215-I219 PolarHBondContact O-N 2.93Å; A215-I219 VanDerWaalsContact O-N 3.1Å; I219-D221 VanDerWaalsContact C-N 3.32Å; I219-D221 PolarHBondContact O-N 2.7Å; I219-T222 WeakPolarHBondContact O-CB 3.43Å; I219-T222 PolarHBondContact O-N 3.47Å; I219-V223 WeakPolarHBondContact O-CG2 3.49Å; I219-V223 PolarHBondContact O-N 2.76Å |
| 220 | P | 82.9 | Confident | 84.7 | Confident | 75 Ų | 75 | 64.2 Ų | 64.2 | 49% | 0.487 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.8 | -41.6 | -179.3 | 21.8 | -33.8 | 0 | 0 | 0 | 112.5 | G216 T217 T222 V223 A224 | G216-P220 WeakPolarHBondContact O-CD 3.46Å; T217-P220 VanDerWaalsContact O-CD 3.28Å; T217-P220 WeakPolarHBondContact O-CD 3.49Å; T217-P220 VanDerWaalsContact O-CG 3.28Å; T217-P220 WeakPolarHBondContact O-CG 3.27Å; P220-T222 VanDerWaalsContact C-N 3.34Å; P220-T222 PolarHBondContact O-N 3.41Å; P220-V223 PolarHBondContact O-N 2.87Å; P220-A224 PolarHBondContact O-N 3.31Å |
| 221 | D | 82.4 | Confident | 84.6 | Confident | 66 Ų | 66 | 65 Ų | 65 | 35% | 0.353 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.7 | -38 | 177.9 | -64 | -37.6 | 0 | 0 | 0 | 112.2 | I219 A224 S225 | I219-D221 VanDerWaalsContact C-N 3.32Å; I219-D221 PolarHBondContact O-N 2.7Å; D221-A224 PolarHBondContact O-N 2.9Å; D221-S225 VanDerWaalsContact O-CB 3.3Å; D221-S225 WeakPolarHBondContact O-CB 3.25Å; D221-S225 PolarHBondContact O-N 3.5Å; D221-S225 PolarHBondContact O-OG 3.39Å |
| 222 | T | 82.1 | Confident | 84.1 | Confident | 73 Ų | 73 | 65.6 Ų | 65.6 | 45% | 0.448 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 174.2 | -60.2 | 0 | 0 | 0 | 0 | 110.7 | S218 I219 P220 S225 V226 | S218-T222 VanDerWaalsContact O-CB 3.3Å; S218-T222 WeakPolarHBondContact O-CB 3.23Å; S218-T222 PolarHBondContact O-N 3.05Å; S218-T222 PolarHBondContact O-OG1 2.98Å; I219-T222 WeakPolarHBondContact O-CB 3.43Å; I219-T222 PolarHBondContact O-N 3.47Å; P220-T222 VanDerWaalsContact C-N 3.34Å; P220-T222 PolarHBondContact O-N 3.41Å; T222-S225 PolarHBondContact O-N 3.48Å; T222-V226 HydrophobicContact CG2-CG2 4.31Å; T222-V226 WeakPolarHBondContact O-CB 3.43Å; T222-V226 VanDerWaalsContact O-CG2 3.24Å; T222-V226 WeakPolarHBondContact O-CG2 3.31Å; T222-V226 PolarHBondContact O-N 3.33Å |
| 223 | V | 83.6 | Confident | 83.8 | Confident | 72 Ų | 72 | 64 Ų | 64 | 44% | 0.436 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.3 | -47.1 | 178.1 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | I219 P220 S225 V226 M227 | I219-V223 WeakPolarHBondContact O-CG2 3.49Å; I219-V223 PolarHBondContact O-N 2.76Å; P220-V223 PolarHBondContact O-N 2.87Å; V223-S225 PolarHBondContact O-N 3.23Å; V223-V226 PolarHBondContact O-N 3.5Å; V223-M227 HydrophobicContact CG1-CE 3.6Å; V223-M227 HydrophobicContact CG1-SD 4.23Å; V223-M227 WeakPolarHBondContact O-CG 3.49Å; V223-M227 PolarHBondContact O-N 3.34Å |
| 224 | A | 82.3 | Confident | 83.4 | Confident | 44 Ų | 44 | 61.9 Ų | 61.9 | 36% | 0.364 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | P220 D221 V226 M227 V228 | P220-A224 PolarHBondContact O-N 3.31Å; D221-A224 PolarHBondContact O-N 2.9Å; A224-V226 PolarHBondContact O-N 2.83Å; A224-M227 WeakPolarHBondContact O-CB 3.08Å; A224-M227 PolarHBondContact O-N 2.96Å; A224-V228 WeakPolarHBondContact O-CG2 3.49Å; A224-V228 PolarHBondContact O-N 2.93Å |
| 225 | S | 86.4 | Confident | 83.1 | Confident | 3 Ų | 3 | 62.5 Ų | 62.5 | 2% | 0.021 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.8 | -36.5 | 179.9 | -55.4 | 0 | 0 | 0 | 0 | 112.2 | D221 T222 V223 V228 A229 A237 N240 I241 | D221-S225 VanDerWaalsContact O-CB 3.3Å; D221-S225 WeakPolarHBondContact O-CB 3.25Å; D221-S225 PolarHBondContact O-N 3.5Å; D221-S225 PolarHBondContact O-OG 3.39Å; T222-S225 PolarHBondContact O-N 3.48Å; V223-S225 PolarHBondContact O-N 3.23Å; S225-V228 PolarHBondContact O-N 3.3Å; S225-A229 VanDerWaalsContact O-CB 3.29Å; S225-A229 WeakPolarHBondContact O-CB 3.21Å; S225-A229 PolarHBondContact O-N 3.47Å; S225-A237 VanDerWaalsContact O-CB 3.26Å; S225-A237 WeakPolarHBondContact O-CB 3.35Å; S225-N240 PolarHBondContact OG-ND2 3.43Å; S225-I241 WeakPolarHBondContact OG-CG1 3.32Å |
| 226 | V | 84.8 | Confident | 82.7 | Confident | 70 Ų | 70 | 63.7 Ų | 63.7 | 42% | 0.424 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67 | -39.1 | 174.3 | 168.4 | 0 | 0 | 0 | 0 | 111.4 | T222 V223 A224 A229 R230 | T222-V226 HydrophobicContact CG2-CG2 4.31Å; T222-V226 WeakPolarHBondContact O-CB 3.43Å; T222-V226 VanDerWaalsContact O-CG2 3.24Å; T222-V226 WeakPolarHBondContact O-CG2 3.31Å; T222-V226 PolarHBondContact O-N 3.33Å; V223-V226 PolarHBondContact O-N 3.5Å; A224-V226 PolarHBondContact O-N 2.83Å; V226-A229 PolarHBondContact O-N 3.47Å; V226-R230 WeakPolarHBondContact O-CG 3.39Å; V226-R230 PolarHBondContact O-N 3.39Å |
| 227 | M | 81 | Confident | 82.7 | Confident | 86 Ų | 86 | 62.2 Ų | 62.2 | 42% | 0.424 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.8 | -49.9 | 174.9 | -71.5 | 172.7 | 176.4 | 0 | 0 | 110.9 | I126 V223 A224 A229 R230 E231 | I126-M227 HydrophobicContact CG2-SD 4.21Å; V223-M227 HydrophobicContact CG1-CE 3.6Å; V223-M227 HydrophobicContact CG1-SD 4.23Å; V223-M227 WeakPolarHBondContact O-CG 3.49Å; V223-M227 PolarHBondContact O-N 3.34Å; A224-M227 WeakPolarHBondContact O-CB 3.08Å; A224-M227 PolarHBondContact O-N 2.96Å; M227-A229 VanDerWaalsContact C-N 3.33Å; M227-A229 PolarHBondContact O-N 3.48Å; M227-R230 WeakPolarHBondContact O-CB 3.49Å; M227-R230 PolarHBondContact O-N 3.35Å; M227-R230 VanDerWaalsContact O-N 3.1Å; M227-E231 PolarHBondContact O-N 3.34Å |
| 228 | V | 80.8 | Confident | 82.7 | Confident | 23 Ų | 23 | 59.4 Ų | 59.4 | 14% | 0.139 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.1 | -37.9 | 177.9 | 174.5 | 0 | 0 | 0 | 0 | 111.9 | A224 S225 R230 E231 K233 M236 A237 | A224-V228 WeakPolarHBondContact O-CG2 3.49Å; A224-V228 PolarHBondContact O-N 2.93Å; S225-V228 PolarHBondContact O-N 3.3Å; V228-R230 VanDerWaalsContact C-N 3.32Å; V228-R230 PolarHBondContact O-N 2.86Å; V228-E231 WeakPolarHBondContact O-CB 3.21Å; V228-E231 PolarHBondContact O-N 3.09Å; V228-K233 HydrophobicContact CG1-CB 3.66Å; V228-K233 HydrophobicContact CG1-CD 4.37Å; V228-K233 PolarHBondContact O-N 2.84Å; V228-M236 HydrophobicContact CG1-CB 3.91Å; V228-M236 HydrophobicContact CG1-CG 3.96Å; V228-M236 HydrophobicContact CG1-SD 3.89Å; V228-A237 HydrophobicContact CB-CB 4.48Å; V228-A237 HydrophobicContact CG1-CB 4.35Å |
| 229 | A | 83.1 | Confident | 82.3 | Confident | 37 Ų | 37 | 58.8 Ų | 58.8 | 31% | 0.306 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.7 | -35.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S225 V226 M227 E231 G232 A237 | S225-A229 VanDerWaalsContact O-CB 3.29Å; S225-A229 WeakPolarHBondContact O-CB 3.21Å; S225-A229 PolarHBondContact O-N 3.47Å; V226-A229 PolarHBondContact O-N 3.47Å; M227-A229 VanDerWaalsContact C-N 3.33Å; M227-A229 PolarHBondContact O-N 3.48Å; A229-E231 VanDerWaalsContact C-N 3.27Å; A229-E231 PolarHBondContact O-N 3.41Å; A229-G232 PolarHBondContact O-N 3.47Å; A229-A237 HydrophobicContact CB-CB 3.89Å |
| 230 | R | 82.6 | Confident | 82.3 | Confident | 208 Ų | 208 | 57.2 Ų | 57.2 | 79% | 0.785 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -67.2 | -27.2 | 175.7 | -76.7 | 178.6 | 175.4 | -149.9 | -0.3 | 113 | V226 M227 V228 G232 | V226-R230 WeakPolarHBondContact O-CG 3.39Å; V226-R230 PolarHBondContact O-N 3.39Å; M227-R230 WeakPolarHBondContact O-CB 3.49Å; M227-R230 PolarHBondContact O-N 3.35Å; M227-R230 VanDerWaalsContact O-N 3.1Å; V228-R230 VanDerWaalsContact C-N 3.32Å; V228-R230 PolarHBondContact O-N 2.86Å; R230-G232 PolarHBondContact O-N 3.01Å |
| 231 | E | 82.3 | Confident | 82.4 | Confident | 78 Ų | 78 | 56.9 Ų | 56.9 | 36% | 0.364 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 2.9 | 171.5 | -64 | 175.7 | -169.3 | 0 | 0 | 113.3 | I126 M227 V228 A229 K233 | I126-E231 WeakPolarHBondContact CG1-OE1 3.44Å; M227-E231 PolarHBondContact O-N 3.34Å; V228-E231 WeakPolarHBondContact O-CB 3.21Å; V228-E231 PolarHBondContact O-N 3.09Å; A229-E231 VanDerWaalsContact C-N 3.27Å; A229-E231 PolarHBondContact O-N 3.41Å; E231-K233 VanDerWaalsContact C-N 3.3Å; E231-K233 HydrophobicContact CB-CD 4.42Å; E231-K233 HydrophobicContact CB-CG 4.49Å; E231-K233 PolarHBondContact O-N 3.32Å; E231-K233 IonicContact OE2-NZ 2.75Å; E231-K233 PolarHBondContact OE2-NZ 3.11Å |
| 232 | G | 79.3 | Confident | 82.4 | Confident | 59 Ų | 59 | 54 Ų | 54 | 61% | 0.608 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | 7.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | A229 R230 A234 | A229-G232 PolarHBondContact O-N 3.47Å; R230-G232 PolarHBondContact O-N 3.01Å; G232-A234 VanDerWaalsContact C-N 3.32Å; G232-A234 PolarHBondContact O-N 3.14Å |
| 233 | K | 81 | Confident | 82.4 | Confident | 62 Ų | 62 | 51 Ų | 51 | 27% | 0.27 | 29% | 0.285 | S | S | . | . | trans | -93.4 | 54.2 | 179.2 | -60.8 | 170.2 | -172.4 | 156.4 | 0 | 111.2 | V228 E231 D235 M236 A237 | V228-K233 HydrophobicContact CG1-CB 3.66Å; V228-K233 HydrophobicContact CG1-CD 4.37Å; V228-K233 PolarHBondContact O-N 2.84Å; E231-K233 VanDerWaalsContact C-N 3.3Å; E231-K233 HydrophobicContact CB-CD 4.42Å; E231-K233 HydrophobicContact CB-CG 4.49Å; E231-K233 PolarHBondContact O-N 3.32Å; E231-K233 IonicContact OE2-NZ 2.75Å; E231-K233 PolarHBondContact OE2-NZ 3.11Å; K233-D235 VanDerWaalsContact C-N 3.29Å; K233-D235 PolarHBondContact O-N 3.24Å; K233-M236 HydrophobicContact CB-CB 4.23Å; K233-M236 HydrophobicContact CD-SD 4.48Å; K233-M236 PolarHBondContact O-N 3.43Å; K233-M236 VanDerWaalsContact O-N 3.14Å; K233-A237 PolarHBondContact O-N 3.43Å; K233-A237 VanDerWaalsContact O-N 3.12Å | ||
| 234 | A | 82.1 | Confident | 82.4 | Confident | 5 Ų | 5 | 48.7 Ų | 48.7 | 4% | 0.041 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.4 | -34.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G232 M236 A237 M238 | G232-A234 VanDerWaalsContact C-N 3.32Å; G232-A234 PolarHBondContact O-N 3.14Å; A234-M236 PolarHBondContact O-N 3.44Å; A234-A237 PolarHBondContact O-N 3.47Å; A234-M238 PolarHBondContact O-N 2.99Å |
| 235 | D | 80.1 | Confident | 82.6 | Confident | 51 Ų | 51 | 49.6 Ų | 49.6 | 27% | 0.273 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.7 | -44.6 | 174.6 | -80.2 | -22.4 | 0 | 0 | 0 | 112.8 | L5 T6 K233 M238 S239 | L5-D235 WeakPolarHBondContact CA-OD1 3.4Å; L5-D235 WeakPolarHBondContact CD2-OD1 3.44Å; T6-D235 WeakPolarHBondContact CB-OD2 3.4Å; T6-D235 VanDerWaalsContact CG2-OD2 3.27Å; T6-D235 WeakPolarHBondContact CG2-OD2 3.31Å; T6-D235 PolarHBondContact N-OD1 3.02Å; T6-D235 PolarHBondContact N-OD2 3.45Å; T6-D235 PolarHBondContact OG1-OD1 3.43Å; T6-D235 PolarHBondContact OG1-OD2 2.98Å; K233-D235 VanDerWaalsContact C-N 3.29Å; K233-D235 PolarHBondContact O-N 3.24Å; D235-M238 PolarHBondContact O-N 3.29Å; D235-S239 WeakPolarHBondContact O-CB 3.29Å; D235-S239 PolarHBondContact O-N 2.85Å |
| 236 | M | 80.3 | Confident | 82.5 | Confident | 68 Ų | 68 | 49.5 Ų | 49.5 | 34% | 0.335 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68.1 | -41.1 | 179.3 | -175 | -179.8 | -72.4 | 0 | 0 | 110.6 | V228 K233 A234 N240 | V228-M236 HydrophobicContact CG1-CB 3.91Å; V228-M236 HydrophobicContact CG1-CG 3.96Å; V228-M236 HydrophobicContact CG1-SD 3.89Å; K233-M236 HydrophobicContact CB-CB 4.23Å; K233-M236 HydrophobicContact CD-SD 4.48Å; K233-M236 PolarHBondContact O-N 3.43Å; K233-M236 VanDerWaalsContact O-N 3.14Å; A234-M236 PolarHBondContact O-N 3.44Å; M236-N240 WeakPolarHBondContact O-CB 3.14Å; M236-N240 PolarHBondContact O-N 2.88Å |
| 237 | A | 84.1 | Confident | 82.4 | Confident | 5 Ų | 5 | 50.4 Ų | 50.4 | 4% | 0.041 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.9 | -45.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S225 V228 A229 K233 A234 N240 I241 | S225-A237 VanDerWaalsContact O-CB 3.26Å; S225-A237 WeakPolarHBondContact O-CB 3.35Å; V228-A237 HydrophobicContact CB-CB 4.48Å; V228-A237 HydrophobicContact CG1-CB 4.35Å; A229-A237 HydrophobicContact CB-CB 3.89Å; K233-A237 PolarHBondContact O-N 3.43Å; K233-A237 VanDerWaalsContact O-N 3.12Å; A234-A237 PolarHBondContact O-N 3.47Å; A237-N240 PolarHBondContact O-N 2.96Å; A237-I241 WeakPolarHBondContact O-CG1 3.43Å; A237-I241 PolarHBondContact O-N 3.35Å; A237-I241 VanDerWaalsContact O-N 3.16Å |
| 238 | M | 84.4 | Confident | 82.7 | Confident | 18 Ų | 18 | 49.9 Ų | 49.9 | 9% | 0.089 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.9 | -40.4 | 179 | -78.1 | -62 | -65.2 | 0 | 0 | 112.8 | L5 L10 A234 D235 N240 I241 V242 L290 L301 | L5-M238 HydrophobicContact CD2-CB 3.92Å; L5-M238 HydrophobicContact CD2-CG 3.59Å; L10-M238 HydrophobicContact CD1-CB 4.39Å; L10-M238 HydrophobicContact CD1-CE 4Å; A234-M238 PolarHBondContact O-N 2.99Å; D235-M238 PolarHBondContact O-N 3.29Å; M238-N240 VanDerWaalsContact C-N 3.32Å; M238-N240 PolarHBondContact O-N 2.88Å; M238-I241 PolarHBondContact O-N 3.49Å; M238-V242 WeakPolarHBondContact O-CG2 3.17Å; M238-V242 PolarHBondContact O-N 3.35Å; M238-L290 HydrophobicContact CE-CD2 4.05Å; M238-L301 HydrophobicContact CG-CD1 4.28Å; M238-L301 HydrophobicContact SD-CD1 3.9Å |
| 239 | S | 79.4 | Confident | 82.8 | Confident | 30 Ų | 30 | 49.8 Ų | 49.8 | 21% | 0.21 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.4 | -37.5 | 176.9 | -176.3 | 0 | 0 | 0 | 0 | 111.7 | D13 D235 G243 | D13-S239 WeakPolarHBondContact OD2-CB 3.38Å; D13-S239 PolarHBondContact OD2-OG 3.4Å; D235-S239 WeakPolarHBondContact O-CB 3.29Å; D235-S239 PolarHBondContact O-N 2.85Å; S239-G243 WeakPolarHBondContact O-CA 3.49Å; S239-G243 PolarHBondContact O-N 3.42Å |
| 240 | N | 83.2 | Confident | 82.8 | Confident | 68 Ų | 68 | 48 Ų | 48 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.5 | -44.9 | 174.6 | -172.4 | 49.2 | 0 | 0 | 0 | 112.5 | S225 M236 A237 M238 S244 | S225-N240 PolarHBondContact OG-ND2 3.43Å; M236-N240 WeakPolarHBondContact O-CB 3.14Å; M236-N240 PolarHBondContact O-N 2.88Å; A237-N240 PolarHBondContact O-N 2.96Å; M238-N240 VanDerWaalsContact C-N 3.32Å; M238-N240 PolarHBondContact O-N 2.88Å; N240-S244 WeakPolarHBondContact O-CB 3.31Å; N240-S244 PolarHBondContact O-N 3.17Å; N240-S244 PolarHBondContact O-OG 3.18Å |
| 241 | I | 84.7 | Confident | 82.8 | Confident | 68 Ų | 68 | 40 Ų | 40 | 35% | 0.349 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.6 | -42.1 | 179.8 | -66.7 | 165.6 | 0 | 0 | 0 | 111.4 | S225 A237 M238 S244 N245 | S225-I241 WeakPolarHBondContact OG-CG1 3.32Å; A237-I241 WeakPolarHBondContact O-CG1 3.43Å; A237-I241 PolarHBondContact O-N 3.35Å; A237-I241 VanDerWaalsContact O-N 3.16Å; M238-I241 PolarHBondContact O-N 3.49Å; I241-S244 PolarHBondContact O-OG 2.86Å; I241-S244 VanDerWaalsContact O-OG 3.11Å; I241-N245 PolarHBondContact O-ND2 2.98Å |
| 242 | V | 83.8 | Confident | 83 | Confident | 5 Ų | 5 | 40.1 Ų | 40.1 | 3% | 0.03 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -75.7 | -42.8 | 179.8 | -178.7 | 0 | 0 | 0 | 0 | 110.8 | L10 D13 M238 N245 V246 I287 | L10-V242 HydrophobicContact CD1-CG2 4.22Å; D13-V242 HydrophobicContact CB-CB 4.1Å; D13-V242 HydrophobicContact CB-CG1 3.68Å; M238-V242 WeakPolarHBondContact O-CG2 3.17Å; M238-V242 PolarHBondContact O-N 3.35Å; V242-N245 PolarHBondContact O-N 2.96Å; V242-V246 WeakPolarHBondContact O-CG2 3.45Å; V242-V246 PolarHBondContact O-N 2.95Å; V242-I287 HydrophobicContact CG1-CD1 4.22Å |
| 243 | G | 80.9 | Confident | 83.3 | Confident | 11 Ų | 11 | 37.3 Ų | 37.3 | 11% | 0.113 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.6 | -36.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S239 N245 V246 F247 | S239-G243 WeakPolarHBondContact O-CA 3.49Å; S239-G243 PolarHBondContact O-N 3.42Å; G243-N245 VanDerWaalsContact C-N 3.34Å; G243-N245 PolarHBondContact O-N 3.05Å; G243-V246 WeakPolarHBondContact O-CB 3.36Å; G243-V246 PolarHBondContact O-N 3.33Å; G243-F247 PolarHBondContact O-N 3.27Å |
| 244 | S | 83.6 | Confident | 83.7 | Confident | 24 Ų | 24 | 38.6 Ų | 38.6 | 17% | 0.168 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.3 | -43.6 | 174.2 | 46 | 0 | 0 | 0 | 0 | 111.7 | N240 I241 V246 F247 D248 | N240-S244 WeakPolarHBondContact O-CB 3.31Å; N240-S244 PolarHBondContact O-N 3.17Å; N240-S244 PolarHBondContact O-OG 3.18Å; I241-S244 PolarHBondContact O-OG 2.86Å; I241-S244 VanDerWaalsContact O-OG 3.11Å; S244-V246 VanDerWaalsContact C-N 3.34Å; S244-V246 PolarHBondContact O-N 3.38Å; S244-F247 WeakPolarHBondContact O-CB 3.33Å; S244-F247 PolarHBondContact O-N 2.86Å; S244-D248 PolarHBondContact O-N 3.23Å |
| 245 | N | 86.1 | Confident | 84 | Confident | 63 Ų | 63 | 41.9 Ų | 41.9 | 34% | 0.337 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -68.6 | -31.5 | 177 | -59.6 | -20.3 | 0 | 0 | 0 | 112.9 | Y17 I241 V242 G243 M249 | Y17-N245 HydrophobicContact CD2-CB 4.18Å; Y17-N245 HydrophobicContact CE2-CB 3.62Å; I241-N245 PolarHBondContact O-ND2 2.98Å; V242-N245 PolarHBondContact O-N 2.96Å; G243-N245 VanDerWaalsContact C-N 3.34Å; G243-N245 PolarHBondContact O-N 3.05Å; N245-M249 WeakPolarHBondContact O-CB 3.37Å; N245-M249 PolarHBondContact O-N 3.49Å; N245-M249 VanDerWaalsContact O-N 3.11Å |
| 246 | V | 84.7 | Confident | 84.3 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.2 | -45.4 | 171.5 | 178.4 | 0 | 0 | 0 | 0 | 110.2 | A16 Y17 Y48 V242 G243 S244 M249 L250 | A16-V246 HydrophobicContact CB-CG1 4.44Å; Y17-V246 HydrophobicContact CD2-CG2 3.69Å; Y17-V246 HydrophobicContact CG-CG2 4.12Å; Y48-V246 HydrophobicContact CD1-CG1 4.24Å; Y48-V246 HydrophobicContact CD2-CG1 4.23Å; Y48-V246 HydrophobicContact CE1-CG1 3.99Å; Y48-V246 HydrophobicContact CE2-CG1 3.98Å; Y48-V246 HydrophobicContact CG-CG1 4.35Å; V242-V246 WeakPolarHBondContact O-CG2 3.45Å; V242-V246 PolarHBondContact O-N 2.95Å; G243-V246 WeakPolarHBondContact O-CB 3.36Å; G243-V246 PolarHBondContact O-N 3.33Å; S244-V246 VanDerWaalsContact C-N 3.34Å; S244-V246 PolarHBondContact O-N 3.38Å; V246-M249 PolarHBondContact O-N 3.12Å; V246-L250 HydrophobicContact CG1-CD1 3.64Å; V246-L250 WeakPolarHBondContact O-CB 3.42Å; V246-L250 WeakPolarHBondContact O-CD1 3.43Å; V246-L250 WeakPolarHBondContact O-CG 3.25Å; V246-L250 PolarHBondContact O-N 2.82Å; V246-L250 VanDerWaalsContact O-N 3.12Å |
| 247 | F | 83.3 | Confident | 84.8 | Confident | 90 Ų | 90 | 41 Ų | 41 | 40% | 0.395 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.2 | -46.3 | 177.2 | 172.3 | -90.6 | 0 | 0 | 0 | 111.5 | Y45 G243 S244 M249 L250 C251 | Y45-F247 AromaticContact CE2-CD2 3.6Å; Y45-F247 HydrophobicContact CE2-CD2 3.6Å; Y45-F247 HydrophobicContact CE2-CE2 4.12Å; Y45-F247 AromaticContact CZ-CD2 3.65Å; Y45-F247 AromaticContact CZ-CE2 3.7Å; Y45-F247 WeakPolarHBondContact OH-CD2 3.46Å; Y45-F247 WeakPolarHBondContact OH-CE2 3.49Å; G243-F247 PolarHBondContact O-N 3.27Å; S244-F247 WeakPolarHBondContact O-CB 3.33Å; S244-F247 PolarHBondContact O-N 2.86Å; F247-M249 PolarHBondContact O-N 2.7Å; F247-L250 PolarHBondContact O-N 3.42Å; F247-C251 VanDerWaalsContact CE1-SG 3.51Å; F247-C251 VanDerWaalsContact CE2-SG 3.54Å; F247-C251 WeakPolarHBondContact CZ-SG 3.49Å; F247-C251 WeakPolarHBondContact O-CB 3.41Å; F247-C251 PolarHBondContact O-N 3.39Å; F247-C251 PolarHBondContact O-SG 2.72Å |
| 248 | D | 86.1 | Confident | 85.1 | Confident | 75 Ų | 75 | 44.7 Ų | 44.7 | 40% | 0.401 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60 | -46.1 | 179 | -73.6 | -10.4 | 0 | 0 | 0 | 111.7 | S244 L250 C251 L252 | S244-D248 PolarHBondContact O-N 3.23Å; D248-L250 VanDerWaalsContact C-N 3.31Å; D248-L250 PolarHBondContact O-N 3.25Å; D248-C251 PolarHBondContact O-N 3.44Å; D248-L252 PolarHBondContact O-N 3.09Å |
| 249 | M | 84.2 | Confident | 85.2 | Confident | 21 Ų | 21 | 48.4 Ų | 48.4 | 10% | 0.103 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61 | -41.1 | 179.7 | -161.9 | 72.8 | -157.7 | 0 | 0 | 112.3 | V24 N245 V246 F247 L252 | V24-M249 HydrophobicContact CB-CE 3.41Å; V24-M249 VanDerWaalsContact CB-CE 3.41Å; V24-M249 HydrophobicContact CG1-CE 3.23Å; V24-M249 HydrophobicContact CG2-CE 3.49Å; V24-M249 VanDerWaalsContact CG2-CE 3.49Å; V24-M249 HydrophobicContact CG2-CG 4.13Å; N245-M249 WeakPolarHBondContact O-CB 3.37Å; N245-M249 PolarHBondContact O-N 3.49Å; N245-M249 VanDerWaalsContact O-N 3.11Å; V246-M249 PolarHBondContact O-N 3.12Å; F247-M249 PolarHBondContact O-N 2.7Å; M249-L252 HydrophobicContact CE-CD1 4.12Å; M249-L252 WeakPolarHBondContact O-CB 3.42Å; M249-L252 PolarHBondContact O-N 3.18Å; M249-L252 HydrophobicContact SD-CD1 4.13Å |
| 250 | L | 82.8 | Confident | 85.5 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -76.1 | -31.9 | -179.7 | -71.2 | 168.5 | 0 | 0 | 0 | 111.8 | V44 Y45 Y48 V246 F247 D248 L252 G253 | V44-L250 HydrophobicContact CB-CD2 4.12Å; V44-L250 HydrophobicContact CG1-CD2 3.75Å; Y45-L250 HydrophobicContact CD2-CB 3.51Å; Y45-L250 HydrophobicContact CD2-CD1 3.72Å; Y45-L250 HydrophobicContact CD2-CG 4.21Å; Y45-L250 HydrophobicContact CE2-CB 4.45Å; Y45-L250 HydrophobicContact CG-CB 4Å; Y48-L250 HydrophobicContact CD1-CD1 4.25Å; Y48-L250 HydrophobicContact CG-CD1 4.29Å; V246-L250 HydrophobicContact CG1-CD1 3.64Å; V246-L250 WeakPolarHBondContact O-CB 3.42Å; V246-L250 WeakPolarHBondContact O-CD1 3.43Å; V246-L250 WeakPolarHBondContact O-CG 3.25Å; V246-L250 PolarHBondContact O-N 2.82Å; V246-L250 VanDerWaalsContact O-N 3.12Å; F247-L250 PolarHBondContact O-N 3.42Å; D248-L250 VanDerWaalsContact C-N 3.31Å; D248-L250 PolarHBondContact O-N 3.25Å; L250-L252 VanDerWaalsContact C-N 3.26Å; L250-L252 PolarHBondContact O-N 3.23Å; L250-G253 PolarHBondContact O-N 2.89Å; L250-G253 VanDerWaalsContact O-N 3.17Å |
| 251 | C | 83.3 | Confident | 85.7 | Confident | 39 Ų | 39 | 45.3 Ų | 45.3 | 26% | 0.264 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -68.1 | -21.3 | 174.1 | -74.8 | 0 | 0 | 0 | 0 | 113.3 | F247 D248 G253 L254 P255 | F247-C251 VanDerWaalsContact CE1-SG 3.51Å; F247-C251 VanDerWaalsContact CE2-SG 3.54Å; F247-C251 WeakPolarHBondContact CZ-SG 3.49Å; F247-C251 WeakPolarHBondContact O-CB 3.41Å; F247-C251 PolarHBondContact O-N 3.39Å; F247-C251 PolarHBondContact O-SG 2.72Å; D248-C251 PolarHBondContact O-N 3.44Å; C251-G253 PolarHBondContact O-N 3.13Å; C251-L254 WeakPolarHBondContact O-CB 3.49Å; C251-L254 PolarHBondContact O-N 2.86Å; C251-P255 WeakPolarHBondContact O-CD 3.26Å |
| 252 | L | 84.9 | Confident | 85.8 | Confident | 80 Ų | 80 | 49.7 Ų | 49.7 | 42% | 0.419 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -26.6 | 170.1 | -66.9 | 176.7 | 0 | 0 | 0 | 112.9 | D248 M249 L250 L254 P255 | D248-L252 PolarHBondContact O-N 3.09Å; M249-L252 HydrophobicContact CE-CD1 4.12Å; M249-L252 WeakPolarHBondContact O-CB 3.42Å; M249-L252 PolarHBondContact O-N 3.18Å; M249-L252 HydrophobicContact SD-CD1 4.13Å; L250-L252 VanDerWaalsContact C-N 3.26Å; L250-L252 PolarHBondContact O-N 3.23Å; L252-L254 PolarHBondContact O-N 3.5Å; L252-P255 WeakPolarHBondContact O-CD 3.4Å |
| 253 | G | 86.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.6 | -27.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L250 C251 F257 | L250-G253 PolarHBondContact O-N 2.89Å; L250-G253 VanDerWaalsContact O-N 3.17Å; C251-G253 PolarHBondContact O-N 3.13Å; G253-F257 WeakPolarHBondContact O-CB 3.29Å; G253-F257 PolarHBondContact O-N 3.48Å |
| 254 | L | 88.7 | Confident | 85.6 | Confident | 89 Ų | 89 | 56.9 Ų | 56.9 | 47% | 0.466 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -71.8 | -50 | -175.5 | -174.2 | 144 | 0 | 0 | 0 | 112.8 | L42 C251 L252 W256 F257 I258 | L42-L254 HydrophobicContact CD2-CB 4.02Å; C251-L254 WeakPolarHBondContact O-CB 3.49Å; C251-L254 PolarHBondContact O-N 2.86Å; L252-L254 PolarHBondContact O-N 3.5Å; L254-W256 VanDerWaalsContact C-N 3.33Å; L254-W256 PolarHBondContact O-N 3.44Å; L254-F257 PolarHBondContact O-N 2.9Å; L254-I258 HydrophobicContact CD2-CD1 3.49Å; L254-I258 VanDerWaalsContact CD2-CD1 3.49Å; L254-I258 HydrophobicContact CD2-CG1 4.44Å; L254-I258 HydrophobicContact CG-CD1 4.14Å; L254-I258 VanDerWaalsContact O-CG1 3.31Å; L254-I258 WeakPolarHBondContact O-CG1 3.33Å; L254-I258 PolarHBondContact O-N 2.9Å |
| 255 | P | 88.8 | Confident | 85.1 | Confident | 74 Ų | 74 | 59.9 Ų | 59.9 | 48% | 0.481 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.7 | -41.9 | 171.9 | -26.9 | 34.5 | 0 | 0 | 0 | 113.5 | C251 L252 I258 K259 | C251-P255 WeakPolarHBondContact O-CD 3.26Å; L252-P255 WeakPolarHBondContact O-CD 3.4Å; P255-I258 PolarHBondContact O-N 3.34Å; P255-K259 WeakPolarHBondContact O-CB 3.21Å; P255-K259 PolarHBondContact O-N 2.9Å |
| 256 | W | 87.3 | Confident | 84.2 | Confident | 47 Ų | 47 | 64.3 Ų | 64.3 | 18% | 0.178 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 176.8 | -69.3 | -11.9 | 0 | 0 | 0 | 112 | V24 I27 I28 V33 A38 L41 L254 K259 T260 | V24-W256 HydrophobicContact CG1-CH2 4.41Å; I27-W256 HydrophobicContact CG2-CZ3 4.23Å; I28-W256 HydrophobicContact CD1-CH2 4.01Å; I28-W256 HydrophobicContact CG1-CH2 3.91Å; V33-W256 HydrophobicContact CG1-CB 4.32Å; V33-W256 HydrophobicContact CG1-CD2 4.21Å; V33-W256 HydrophobicContact CG1-CE3 3.88Å; V33-W256 HydrophobicContact CG1-CG 4.43Å; V33-W256 HydrophobicContact CG2-CE3 4.3Å; V33-W256 HydrophobicContact CG2-CZ3 4.33Å; A38-W256 HydrophobicContact CB-CB 3.9Å; L41-W256 HydrophobicContact CD1-CE3 3.91Å; L41-W256 HydrophobicContact CD1-CZ3 3.82Å; L254-W256 VanDerWaalsContact C-N 3.33Å; L254-W256 PolarHBondContact O-N 3.44Å; W256-K259 PolarHBondContact O-N 3.38Å; W256-T260 WeakPolarHBondContact O-CB 3.26Å; W256-T260 WeakPolarHBondContact O-CG2 3.39Å; W256-T260 PolarHBondContact O-N 3.26Å; W256-T260 PolarHBondContact O-OG1 2.82Å |
| 257 | F | 89.8 | Confident | 83.7 | Confident | 54 Ų | 54 | 68.2 Ų | 68.2 | 24% | 0.237 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.8 | -44.7 | 176.8 | -179.3 | -102.5 | 0 | 0 | 0 | 111.1 | W35 A38 A39 L42 G253 L254 K259 T260 A261 F262 | W35-F257 HydrophobicContact CE3-CE2 4.5Å; A38-F257 HydrophobicContact CB-CB 3.86Å; A38-F257 HydrophobicContact CB-CD2 4.46Å; A39-F257 HydrophobicContact CB-CD2 3.99Å; A39-F257 HydrophobicContact CB-CE2 3.91Å; L42-F257 HydrophobicContact CD1-CB 3.79Å; L42-F257 HydrophobicContact CD1-CD1 3.81Å; L42-F257 HydrophobicContact CD1-CD2 4.24Å; L42-F257 HydrophobicContact CD1-CE1 4.48Å; L42-F257 HydrophobicContact CD1-CG 3.67Å; G253-F257 WeakPolarHBondContact O-CB 3.29Å; G253-F257 PolarHBondContact O-N 3.48Å; L254-F257 PolarHBondContact O-N 2.9Å; F257-K259 PolarHBondContact O-N 3.49Å; F257-T260 PolarHBondContact O-N 3.41Å; F257-T260 PolarHBondContact O-OG1 3.49Å; F257-A261 HydrophobicContact CD2-CB 4.33Å; F257-A261 HydrophobicContact CE1-CB 4.26Å; F257-A261 HydrophobicContact CE2-CB 4.05Å; F257-A261 HydrophobicContact CZ-CB 4.02Å; F257-A261 WeakPolarHBondContact O-CA 3.35Å; F257-A261 WeakPolarHBondContact O-CB 3.36Å; F257-A261 PolarHBondContact O-N 3.07Å; F257-F262 HydrophobicContact CE1-CE2 4.26Å |
| 258 | I | 89.5 | Confident | 83.5 | Confident | 82 Ų | 82 | 65.7 Ų | 65.7 | 42% | 0.421 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.2 | -46.5 | 178.3 | -68.9 | 171.1 | 0 | 0 | 0 | 110.7 | L254 P255 F262 | L254-I258 HydrophobicContact CD2-CD1 3.49Å; L254-I258 VanDerWaalsContact CD2-CD1 3.49Å; L254-I258 HydrophobicContact CD2-CG1 4.44Å; L254-I258 HydrophobicContact CG-CD1 4.14Å; L254-I258 VanDerWaalsContact O-CG1 3.31Å; L254-I258 WeakPolarHBondContact O-CG1 3.33Å; L254-I258 PolarHBondContact O-N 2.9Å; P255-I258 PolarHBondContact O-N 3.34Å; I258-F262 WeakPolarHBondContact O-CB 3.13Å; I258-F262 PolarHBondContact O-N 2.87Å |
| 259 | K | 87 | Confident | 83.2 | Confident | 97 Ų | 97 | 63 Ų | 63 | 42% | 0.422 | 34% | 0.34 | S | S | . | . | I | π-helix | trans | -62.8 | -49.7 | 179.7 | -174.1 | 172.8 | 177.7 | -175.4 | 0 | 111.8 | P255 W256 F257 V263 D264 V269 | P255-K259 WeakPolarHBondContact O-CB 3.21Å; P255-K259 PolarHBondContact O-N 2.9Å; W256-K259 PolarHBondContact O-N 3.38Å; F257-K259 PolarHBondContact O-N 3.49Å; K259-V263 WeakPolarHBondContact O-CB 3.31Å; K259-V263 PolarHBondContact O-N 3.03Å; K259-D264 PolarHBondContact O-N 3.37Å; K259-V269 HydrophobicContact CD-CG2 3.71Å; K259-V269 HydrophobicContact CG-CG2 4.05Å |
| 260 | T | 86.6 | Confident | 82.8 | Confident | 3 Ų | 3 | 69.4 Ų | 69.4 | 2% | 0.018 | 37% | 0.37 | C | S | . | . | I | π-helix | trans | -77.4 | -26.1 | -176.2 | 54.8 | 0 | 0 | 0 | 0 | 114.1 | W35 W256 F257 T265 V269 | W35-T260 VanDerWaalsContact CA-OG1 3.31Å; W35-T260 WeakPolarHBondContact CA-OG1 3.22Å; W256-T260 WeakPolarHBondContact O-CB 3.26Å; W256-T260 WeakPolarHBondContact O-CG2 3.39Å; W256-T260 PolarHBondContact O-N 3.26Å; W256-T260 PolarHBondContact O-OG1 2.82Å; F257-T260 PolarHBondContact O-N 3.41Å; F257-T260 PolarHBondContact O-OG1 3.49Å; T260-T265 VanDerWaalsContact O-CA 3.28Å; T260-T265 WeakPolarHBondContact O-CA 3.25Å; T260-V269 HydrophobicContact CG2-CG2 3.66Å |
| 261 | A | 87.5 | Confident | 82.4 | Confident | 29 Ų | 29 | 70.4 Ų | 70.4 | 24% | 0.24 | 38% | 0.376 | C | S | . | . | I | π-helix | trans | -91.5 | -40.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | F257 T265 | F257-A261 HydrophobicContact CD2-CB 4.33Å; F257-A261 HydrophobicContact CE1-CB 4.26Å; F257-A261 HydrophobicContact CE2-CB 4.05Å; F257-A261 HydrophobicContact CZ-CB 4.02Å; F257-A261 WeakPolarHBondContact O-CA 3.35Å; F257-A261 WeakPolarHBondContact O-CB 3.36Å; F257-A261 PolarHBondContact O-N 3.07Å; A261-T265 PolarHBondContact O-OG1 3.38Å |
| 262 | F | 86.4 | Confident | 81.6 | Confident | 160 Ų | 160 | 74.9 Ų | 74.9 | 70% | 0.702 | 40% | 0.397 | S | S | * | . | I | π-helix | trans | -106.8 | -28.1 | -171.1 | -67.5 | -79.5 | 0 | 0 | 0 | 115 | F257 I258 | F257-F262 HydrophobicContact CE1-CE2 4.26Å; I258-F262 WeakPolarHBondContact O-CB 3.13Å; I258-F262 PolarHBondContact O-N 2.87Å |
| 263 | V | 83.3 | Confident | 80.4 | Confident | 101 Ų | 101 | 71.6 Ų | 71.6 | 61% | 0.612 | 38% | 0.381 | S | S | * | . | I | π-helix | trans | -98.1 | -54.5 | -177.3 | -173.1 | 0 | 0 | 0 | 0 | 110.2 | K259 | K259-V263 WeakPolarHBondContact O-CB 3.31Å; K259-V263 PolarHBondContact O-N 3.03Å |
| 264 | D | 77.6 | Confident | 79.5 | Confident | 66 Ų | 66 | 74.9 Ų | 74.9 | 35% | 0.353 | 40% | 0.401 | S | S | . | . | trans | -127.8 | 69.4 | -167.3 | -71.5 | -36.8 | 0 | 0 | 0 | 111.4 | K259 N266 T267 | K259-D264 PolarHBondContact O-N 3.37Å; D264-N266 PolarHBondContact O-N 2.91Å; D264-N266 VanDerWaalsContact O-N 3.12Å; D264-T267 WeakPolarHBondContact CB-OG1 3.3Å | ||
| 265 | T | 72.1 | Confident | 78.5 | Confident | 88 Ų | 88 | 71.2 Ų | 71.2 | 54% | 0.54 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -26.8 | -169.9 | -44.6 | 0 | 0 | 0 | 0 | 115 | T260 A261 | T260-T265 VanDerWaalsContact O-CA 3.28Å; T260-T265 WeakPolarHBondContact O-CA 3.25Å; A261-T265 PolarHBondContact O-OG1 3.38Å |
| 266 | N | 67 | Low | 77.7 | Confident | 156 Ų | 156 | 70.2 Ų | 70.2 | 83% | 0.834 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.7 | -3.4 | -172.1 | -72.9 | -12.7 | 0 | 0 | 0 | 114.7 | D264 | D264-N266 PolarHBondContact O-N 2.91Å; D264-N266 VanDerWaalsContact O-N 3.12Å |
| 267 | T | 75.4 | Confident | 77.2 | Confident | 81 Ų | 81 | 71.3 Ų | 71.3 | 50% | 0.497 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -112.2 | 119.8 | 179.1 | 51.5 | 0 | 0 | 0 | 0 | 109.7 | D264 | D264-T267 WeakPolarHBondContact CB-OG1 3.3Š|
| 268 | P | 77.9 | Confident | 76.6 | Confident | 38 Ų | 38 | 72 Ų | 72 | 25% | 0.247 | 39% | 0.387 | C | S | . | . | trans | -63.7 | 146.2 | 176.4 | 27.2 | -32.5 | 0 | 0 | 0 | 109.9 | K32 F34 E270 | K32-P268 HydrophobicContact CB-CB 3.9Å; K32-P268 HydrophobicContact CB-CG 4.37Å; K32-P268 HydrophobicContact CD-CB 4.49Å; K32-P268 HydrophobicContact CD-CG 4.06Å; K32-P268 HydrophobicContact CG-CB 4.24Å; K32-P268 HydrophobicContact CG-CG 4.24Å; F34-P268 HydrophobicContact CD1-CB 4.25Å; F34-P268 HydrophobicContact CE1-CB 4Å; F34-P268 HydrophobicContact CE1-CG 4.3Å; F34-P268 HydrophobicContact CZ-CB 4.16Å; F34-P268 HydrophobicContact CZ-CG 4.4Å; P268-E270 PolarHBondContact O-N 2.91Å | ||
| 269 | V | 80.2 | Confident | 76.2 | Confident | 18 Ų | 18 | 69.1 Ų | 69.1 | 11% | 0.109 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 115.8 | 172.3 | 177.1 | 0 | 0 | 0 | 0 | 107.4 | V33 K259 T260 V271 | V33-V269 PolarHBondContact N-O 3.23Å; V33-V269 PolarHBondContact O-N 2.91Å; V33-V269 VanDerWaalsContact O-N 3.16Å; K259-V269 HydrophobicContact CD-CG2 3.71Å; K259-V269 HydrophobicContact CG-CG2 4.05Å; T260-V269 HydrophobicContact CG2-CG2 3.66Å; V269-V271 HydrophobicContact CG1-CG2 4.15Å; V269-V271 PolarHBondContact O-N 3.44Å |
| 270 | E | 76.3 | Confident | 75.8 | Confident | 155 Ų | 155 | 64.7 Ų | 64.7 | 72% | 0.724 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | 120.3 | 175.7 | -63.6 | -167.3 | 163.3 | 0 | 0 | 109.8 | N31 P268 | N31-E270 CarbonylContact O-C 3.6Å; N31-E270 VanDerWaalsContact O-CA 3.31Å; N31-E270 WeakPolarHBondContact O-CA 3.23Å; P268-E270 PolarHBondContact O-N 2.91Å |
| 271 | V | 73.1 | Confident | 75.6 | Confident | 21 Ų | 21 | 66.9 Ų | 66.9 | 13% | 0.127 | 37% | 0.371 | C | S | . | . | trans | -117 | 114.8 | 178.3 | -174.4 | 0 | 0 | 0 | 0 | 107.4 | I28 N31 V33 V269 S273 L276 | I28-V271 HydrophobicContact CG2-CG1 4.45Å; N31-V271 WeakPolarHBondContact CA-O 3.42Å; N31-V271 WeakPolarHBondContact CB-O 3.21Å; N31-V271 PolarHBondContact O-N 3.23Å; N31-V271 PolarHBondContact OD1-O 3.39Å; N31-V271 VanDerWaalsContact OD1-O 3.06Å; V33-V271 HydrophobicContact CG2-CG2 3.84Å; V269-V271 HydrophobicContact CG1-CG2 4.15Å; V269-V271 PolarHBondContact O-N 3.44Å; V271-S273 PolarHBondContact O-N 3.45Å; V271-L276 HydrophobicContact CG1-CD2 3.29Å | ||
| 272 | N | 67.3 | Low | 75.4 | Confident | 133 Ų | 133 | 66.4 Ų | 66.4 | 71% | 0.711 | 37% | 0.365 | S | S | * | . | trans | -66.1 | 108.3 | 178.8 | -173.6 | 5.2 | 0 | 0 | 0 | 109.4 | ||||
| 273 | S | 60.4 | Low | 75.3 | Confident | 11 Ų | 11 | 61.7 Ų | 61.7 | 8% | 0.077 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -87.1 | -13 | -164.6 | 60.7 | 0 | 0 | 0 | 0 | 114.9 | N31 V271 G275 L276 I277 | N31-S273 PolarHBondContact ND2-OG 3.05Å; N31-S273 WeakPolarHBondContact OD1-CB 3.44Å; N31-S273 PolarHBondContact OD1-N 2.92Å; N31-S273 PolarHBondContact OD1-OG 3.42Å; V271-S273 PolarHBondContact O-N 3.45Å; S273-G275 PolarHBondContact O-N 2.73Å; S273-L276 PolarHBondContact O-N 2.94Å; S273-I277 VanDerWaalsContact O-CB 3.31Å; S273-I277 WeakPolarHBondContact O-CB 3.42Å; S273-I277 WeakPolarHBondContact O-CD1 3.41Å; S273-I277 WeakPolarHBondContact O-CG1 3.49Å; S273-I277 PolarHBondContact O-N 3.3Å |
| 274 | T | 66.8 | Low | 75.5 | Confident | 70 Ų | 70 | 60 Ų | 60 | 43% | 0.429 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.5 | -46.4 | -174.5 | -42 | 0 | 0 | 0 | 0 | 112.6 | ||
| 275 | G | 67.3 | Low | 76 | Confident | 11 Ų | 11 | 61.2 Ų | 61.2 | 11% | 0.113 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -73.6 | -37.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S273 F278 I279 | S273-G275 PolarHBondContact O-N 2.73Å; G275-F278 WeakPolarHBondContact O-CB 3.37Å; G275-F278 PolarHBondContact O-N 3.34Å; G275-I279 WeakPolarHBondContact O-CG1 3.25Å; G275-I279 PolarHBondContact O-N 2.87Å |
| 276 | L | 72.3 | Confident | 76.7 | Confident | 54 Ų | 54 | 58.9 Ų | 58.9 | 28% | 0.283 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -74.7 | -33.5 | -172 | -150.9 | 65 | 0 | 0 | 0 | 113.1 | I28 V271 S273 F278 I279 S280 | I28-L276 HydrophobicContact CD1-CD2 3.53Å; I28-L276 HydrophobicContact CD1-CG 4.01Å; I28-L276 HydrophobicContact CG1-CD2 4.1Å; I28-L276 HydrophobicContact CG2-CB 4.26Å; I28-L276 HydrophobicContact CG2-CD2 3.92Å; I28-L276 HydrophobicContact CG2-CG 4.41Å; V271-L276 HydrophobicContact CG1-CD2 3.29Å; S273-L276 PolarHBondContact O-N 2.94Å; L276-F278 VanDerWaalsContact C-N 3.33Å; L276-I279 PolarHBondContact O-N 2.95Å; L276-S280 WeakPolarHBondContact O-CB 3.27Å; L276-S280 PolarHBondContact O-N 3.49Å; L276-S280 PolarHBondContact O-OG 3.49Å |
| 277 | I | 77 | Confident | 77.7 | Confident | 70 Ų | 70 | 52.2 Ų | 52.2 | 36% | 0.359 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.7 | -41.4 | 171.2 | -68.7 | 164.8 | 0 | 0 | 0 | 110.1 | S273 S280 A281 | S273-I277 VanDerWaalsContact O-CB 3.31Å; S273-I277 WeakPolarHBondContact O-CB 3.42Å; S273-I277 WeakPolarHBondContact O-CD1 3.41Å; S273-I277 WeakPolarHBondContact O-CG1 3.49Å; S273-I277 PolarHBondContact O-N 3.3Å; I277-S280 WeakPolarHBondContact CA-OG 3.43Å; I277-S280 PolarHBondContact O-OG 3.24Å; I277-A281 WeakPolarHBondContact O-CB 3.27Å; I277-A281 PolarHBondContact O-N 2.93Å |
| 278 | F | 78.6 | Confident | 78.3 | Confident | 68 Ų | 68 | 52 Ų | 52 | 30% | 0.298 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.2 | -45 | 177.9 | -177.6 | -94.8 | 0 | 0 | 0 | 112.1 | G275 L276 A281 T282 Y323 | G275-F278 WeakPolarHBondContact O-CB 3.37Å; G275-F278 PolarHBondContact O-N 3.34Å; L276-F278 VanDerWaalsContact C-N 3.33Å; F278-A281 PolarHBondContact O-N 3.37Å; F278-T282 WeakPolarHBondContact O-CB 3.19Å; F278-T282 PolarHBondContact O-N 2.9Å; F278-T282 PolarHBondContact O-OG1 3.46Å; F278-Y323 HydrophobicContact CB-CD1 4.16Å; F278-Y323 HydrophobicContact CB-CE1 3.77Å; F278-Y323 AromaticContact CD1-CD1 3.62Å; F278-Y323 HydrophobicContact CD1-CD1 3.62Å; F278-Y323 HydrophobicContact CD1-CD2 4.47Å; F278-Y323 HydrophobicContact CD1-CE1 4.12Å; F278-Y323 AromaticContact CD1-CG 3.83Å; F278-Y323 HydrophobicContact CD1-CG 3.83Å; F278-Y323 HydrophobicContact CD2-CD2 4.38Å; F278-Y323 HydrophobicContact CD2-CE1 4.46Å; F278-Y323 HydrophobicContact CD2-CE2 4.3Å; F278-Y323 HydrophobicContact CE1-CD1 4.17Å; F278-Y323 HydrophobicContact CE1-CD2 4.44Å; F278-Y323 AromaticContact CE1-CG 3.9Å; F278-Y323 HydrophobicContact CE1-CG 3.9Å; F278-Y323 HydrophobicContact CE2-CD2 4.34Å; F278-Y323 AromaticContact CG-CD1 3.85Å; F278-Y323 HydrophobicContact CG-CD1 3.85Å; F278-Y323 HydrophobicContact CG-CD2 4.45Å; F278-Y323 AromaticContact CG-CE1 3.85Å; F278-Y323 HydrophobicContact CG-CE1 3.85Å; F278-Y323 HydrophobicContact CG-CE2 4.45Å; F278-Y323 HydrophobicContact CG-CG 4.15Å; F278-Y323 HydrophobicContact CZ-CD2 4.37Å; F278-Y323 HydrophobicContact CZ-CG 4.27Å |
| 279 | I | 79.4 | Confident | 78.8 | Confident | 21 Ų | 21 | 53.3 Ų | 53.3 | 11% | 0.108 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.9 | -48.8 | 177.6 | -67.9 | 163.1 | 0 | 0 | 0 | 110.6 | T206 L210 G275 L276 A281 T282 L283 | T206-I279 HydrophobicContact CG2-CD1 4.09Å; L210-I279 HydrophobicContact CD1-CD1 3.93Å; L210-I279 HydrophobicContact CD1-CG1 4.45Å; L210-I279 HydrophobicContact CD2-CG2 4.23Å; G275-I279 WeakPolarHBondContact O-CG1 3.25Å; G275-I279 PolarHBondContact O-N 2.87Å; L276-I279 PolarHBondContact O-N 2.95Å; I279-A281 PolarHBondContact O-N 3.44Å; I279-T282 PolarHBondContact O-N 3.37Å; I279-L283 HydrophobicContact CG2-CD1 4.2Å; I279-L283 WeakPolarHBondContact O-CG 3.28Å; I279-L283 PolarHBondContact O-N 3.08Å |
| 280 | S | 79.9 | Confident | 79.1 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 4% | 0.035 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.3 | -37.5 | 179.5 | 54.2 | 0 | 0 | 0 | 0 | 113 | I25 L276 I277 L283 L284 | I25-S280 WeakPolarHBondContact CG1-OG 3.41Å; L276-S280 WeakPolarHBondContact O-CB 3.27Å; L276-S280 PolarHBondContact O-N 3.49Å; L276-S280 PolarHBondContact O-OG 3.49Å; I277-S280 WeakPolarHBondContact CA-OG 3.43Å; I277-S280 PolarHBondContact O-OG 3.24Å; S280-L283 PolarHBondContact O-N 3.22Å; S280-L284 PolarHBondContact O-N 3.4Å |
| 281 | A | 82.3 | Confident | 79.7 | Confident | 48 Ų | 48 | 50.1 Ų | 50.1 | 40% | 0.397 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64 | -40.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112.2 | I277 F278 I279 L283 L284 L285 | I277-A281 WeakPolarHBondContact O-CB 3.27Å; I277-A281 PolarHBondContact O-N 2.93Å; F278-A281 PolarHBondContact O-N 3.37Å; I279-A281 PolarHBondContact O-N 3.44Å; A281-L283 VanDerWaalsContact C-N 3.35Å; A281-L284 PolarHBondContact O-N 3.46Å; A281-L285 PolarHBondContact O-N 2.98Å |
| 282 | T | 82.8 | Confident | 80.4 | Confident | 19 Ų | 19 | 52.4 Ų | 52.4 | 12% | 0.117 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.7 | -36.5 | 176.8 | -56.3 | 0 | 0 | 0 | 0 | 111.6 | F278 I279 L285 S286 F316 | F278-T282 WeakPolarHBondContact O-CB 3.19Å; F278-T282 PolarHBondContact O-N 2.9Å; F278-T282 PolarHBondContact O-OG1 3.46Å; I279-T282 PolarHBondContact O-N 3.37Å; T282-L285 PolarHBondContact O-N 3.48Å; T282-S286 PolarHBondContact O-N 3.02Å; T282-F316 HydrophobicContact CG2-CB 4.23Å; T282-F316 HydrophobicContact CG2-CD1 4.06Å; T282-F316 HydrophobicContact CG2-CG 4.36Å |
| 283 | L | 84.8 | Confident | 81.4 | Confident | 62 Ų | 62 | 46.8 Ų | 46.8 | 33% | 0.325 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.3 | -37.8 | 172.6 | -72.5 | 172.7 | 0 | 0 | 0 | 112.7 | I279 S280 A281 S286 I287 | I279-L283 HydrophobicContact CG2-CD1 4.2Å; I279-L283 WeakPolarHBondContact O-CG 3.28Å; I279-L283 PolarHBondContact O-N 3.08Å; S280-L283 PolarHBondContact O-N 3.22Å; A281-L283 VanDerWaalsContact C-N 3.35Å; L283-S286 PolarHBondContact O-OG 2.9Å; L283-I287 PolarHBondContact O-N 3.43Å |
| 284 | L | 86.8 | Confident | 82.6 | Confident | 65 Ų | 65 | 46.5 Ų | 46.5 | 34% | 0.34 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.6 | -40.4 | 173.7 | -169.8 | 145.9 | 0 | 0 | 0 | 111.2 | V21 I25 S280 A281 S286 I287 V288 | V21-L284 HydrophobicContact CG1-CB 3.98Å; V21-L284 HydrophobicContact CG1-CD1 4.23Å; I25-L284 HydrophobicContact CD1-CD1 4.49Å; S280-L284 PolarHBondContact O-N 3.4Å; A281-L284 PolarHBondContact O-N 3.46Å; L284-S286 VanDerWaalsContact C-N 3.34Å; L284-S286 PolarHBondContact O-N 2.91Å; L284-I287 WeakPolarHBondContact O-CG2 3.42Å; L284-V288 HydrophobicContact CD2-CG2 4.22Å; L284-V288 WeakPolarHBondContact O-CG2 3.28Å; L284-V288 PolarHBondContact O-N 3.46Å |
| 285 | L | 87.8 | Confident | 83.5 | Confident | 91 Ų | 91 | 47.9 Ų | 47.9 | 48% | 0.476 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 176.6 | -178 | 62.6 | 0 | 0 | 0 | 111.9 | A281 T282 V288 F289 F316 | A281-L285 PolarHBondContact O-N 2.98Å; T282-L285 PolarHBondContact O-N 3.48Å; L285-V288 PolarHBondContact O-N 2.99Å; L285-F289 VanDerWaalsContact O-CB 3.3Å; L285-F289 WeakPolarHBondContact O-CB 3.04Å; L285-F289 PolarHBondContact O-N 3.21Å; L285-F316 HydrophobicContact CD2-CE1 3.74Å; L285-F316 HydrophobicContact CD2-CZ 3.93Å; L285-F316 HydrophobicContact CG-CE1 4.49Å; L285-F316 HydrophobicContact CG-CZ 4.27Å |
| 286 | S | 86.9 | Confident | 84.4 | Confident | 40 Ų | 40 | 53.8 Ų | 53.8 | 28% | 0.28 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.1 | -38.6 | -177.8 | 73 | 0 | 0 | 0 | 0 | 112.7 | T282 L283 L284 F289 L290 | T282-S286 PolarHBondContact O-N 3.02Å; L283-S286 PolarHBondContact O-OG 2.9Å; L284-S286 VanDerWaalsContact C-N 3.34Å; L284-S286 PolarHBondContact O-N 2.91Å; S286-F289 PolarHBondContact O-N 3.46Å; S286-L290 WeakPolarHBondContact O-CB 3.29Å; S286-L290 PolarHBondContact O-N 2.89Å |
| 287 | I | 87.4 | Confident | 85.1 | Confident | 16 Ų | 16 | 53.7 Ų | 53.7 | 8% | 0.082 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -71 | -38.8 | 176.7 | -169.3 | 63.1 | 0 | 0 | 0 | 112 | C14 Y17 V242 L283 L284 F289 L290 F291 | C14-I287 HydrophobicContact CB-CD1 4.38Å; C14-I287 HydrophobicContact CB-CG1 4.22Å; Y17-I287 HydrophobicContact CD1-CB 3.83Å; Y17-I287 HydrophobicContact CD1-CG1 3.86Å; Y17-I287 HydrophobicContact CD1-CG2 3.67Å; Y17-I287 HydrophobicContact CE1-CB 3.92Å; Y17-I287 HydrophobicContact CE1-CG1 4.4Å; Y17-I287 HydrophobicContact CE1-CG2 3.84Å; Y17-I287 HydrophobicContact CG-CG1 4.23Å; V242-I287 HydrophobicContact CG1-CD1 4.22Å; L283-I287 PolarHBondContact O-N 3.43Å; L284-I287 WeakPolarHBondContact O-CG2 3.42Å; I287-F289 VanDerWaalsContact C-N 3.33Å; I287-L290 PolarHBondContact O-N 2.8Å; I287-F291 WeakPolarHBondContact O-CB 3.48Å; I287-F291 PolarHBondContact O-N 2.96Å |
| 288 | V | 88.3 | Confident | 85.3 | Confident | 75 Ų | 75 | 52.6 Ų | 52.6 | 46% | 0.455 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 174.8 | 172.1 | 0 | 0 | 0 | 0 | 109.6 | L284 L285 L290 F291 V292 | L284-V288 HydrophobicContact CD2-CG2 4.22Å; L284-V288 WeakPolarHBondContact O-CG2 3.28Å; L284-V288 PolarHBondContact O-N 3.46Å; L285-V288 PolarHBondContact O-N 2.99Å; V288-L290 PolarHBondContact O-N 2.91Å; V288-F291 PolarHBondContact O-N 2.81Å; V288-V292 HydrophobicContact CG1-CG2 4.38Å; V288-V292 WeakPolarHBondContact O-CB 3.36Å; V288-V292 VanDerWaalsContact O-CG2 3.27Å; V288-V292 WeakPolarHBondContact O-CG2 3.31Å; V288-V292 PolarHBondContact O-N 2.86Å |
| 289 | F | 89.3 | Confident | 85.5 | Confident | 67 Ų | 67 | 50.7 Ų | 50.7 | 29% | 0.294 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.3 | -47.2 | 174.5 | 173.1 | -96.3 | 0 | 0 | 0 | 111.8 | L285 S286 I287 F291 V292 A293 V308 C312 | L285-F289 VanDerWaalsContact O-CB 3.3Å; L285-F289 WeakPolarHBondContact O-CB 3.04Å; L285-F289 PolarHBondContact O-N 3.21Å; S286-F289 PolarHBondContact O-N 3.46Å; I287-F289 VanDerWaalsContact C-N 3.33Å; F289-F291 PolarHBondContact O-N 3.25Å; F289-V292 PolarHBondContact O-N 2.91Å; F289-A293 HydrophobicContact CE1-CB 4.47Å; F289-A293 HydrophobicContact CZ-CB 4.48Å; F289-A293 WeakPolarHBondContact O-CB 3.45Å; F289-A293 PolarHBondContact O-N 3.12Å; F289-V308 HydrophobicContact CZ-CG1 4.14Å; F289-C312 HydrophobicContact CD1-CB 4.39Å; F289-C312 HydrophobicContact CE1-CB 3.7Å; F289-C312 HydrophobicContact CZ-CB 3.92Å; F289-C312 WeakPolarHBondContact CZ-SG 3.37Å |
| 290 | L | 87.2 | Confident | 85.6 | Confident | 51 Ų | 51 | 55.7 Ų | 55.7 | 27% | 0.267 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.3 | -48.1 | 178.2 | -177 | 153.5 | 0 | 0 | 0 | 111.3 | M238 S286 I287 V288 V292 A293 V294 | M238-L290 HydrophobicContact CE-CD2 4.05Å; S286-L290 WeakPolarHBondContact O-CB 3.29Å; S286-L290 PolarHBondContact O-N 2.89Å; I287-L290 PolarHBondContact O-N 2.8Å; V288-L290 PolarHBondContact O-N 2.91Å; L290-V292 PolarHBondContact O-N 2.66Å; L290-A293 PolarHBondContact O-N 2.88Å; L290-V294 HydrophobicContact CD2-CG2 4.25Å; L290-V294 VanDerWaalsContact O-CG2 3.31Å; L290-V294 WeakPolarHBondContact O-CG2 3.39Å; L290-V294 PolarHBondContact O-N 3.45Å |
| 291 | F | 87.3 | Confident | 85.6 | Confident | 55 Ų | 55 | 57.9 Ų | 57.9 | 24% | 0.241 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 179.3 | -177 | -96.7 | 0 | 0 | 0 | 111.7 | F11 C14 I287 V288 F289 V294 H295 W299 | F11-F291 HydrophobicContact CB-CE2 4.25Å; F11-F291 AromaticContact CD2-CE2 3.92Å; F11-F291 HydrophobicContact CD2-CE2 3.92Å; F11-F291 AromaticContact CD2-CZ 3.87Å; F11-F291 HydrophobicContact CD2-CZ 3.87Å; C14-F291 HydrophobicContact CB-CD2 4.34Å; I287-F291 WeakPolarHBondContact O-CB 3.48Å; I287-F291 PolarHBondContact O-N 2.96Å; V288-F291 PolarHBondContact O-N 2.81Å; F289-F291 PolarHBondContact O-N 3.25Å; F291-V294 PolarHBondContact O-N 3.28Å; F291-H295 WeakPolarHBondContact O-CB 3.41Å; F291-H295 PolarHBondContact O-N 3.45Å; F291-W299 HydrophobicContact CE2-CH2 4.1Å; F291-W299 HydrophobicContact CZ-CH2 4.41Å |
| 292 | V | 88.1 | Confident | 85.9 | Confident | 68 Ų | 68 | 58 Ų | 58 | 41% | 0.412 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 177.5 | 171 | 0 | 0 | 0 | 0 | 111.2 | V288 F289 L290 V294 H295 I296 | V288-V292 HydrophobicContact CG1-CG2 4.38Å; V288-V292 WeakPolarHBondContact O-CB 3.36Å; V288-V292 VanDerWaalsContact O-CG2 3.27Å; V288-V292 WeakPolarHBondContact O-CG2 3.31Å; V288-V292 PolarHBondContact O-N 2.86Å; F289-V292 PolarHBondContact O-N 2.91Å; L290-V292 PolarHBondContact O-N 2.66Å; V292-V294 PolarHBondContact O-N 3.12Å; V292-H295 PolarHBondContact O-N 3.45Å; V292-I296 HydrophobicContact CG1-CD1 3.59Å; V292-I296 HydrophobicContact CG1-CG1 4.22Å; V292-I296 VanDerWaalsContact O-CG1 3.28Å; V292-I296 WeakPolarHBondContact O-CG1 3.47Å; V292-I296 PolarHBondContact O-N 3.13Å |
| 293 | A | 88 | Confident | 86 | Confident | 16 Ų | 16 | 65.9 Ų | 65.9 | 13% | 0.132 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F289 L290 N297 L305 | F289-A293 HydrophobicContact CE1-CB 4.47Å; F289-A293 HydrophobicContact CZ-CB 4.48Å; F289-A293 WeakPolarHBondContact O-CB 3.45Å; F289-A293 PolarHBondContact O-N 3.12Å; L290-A293 PolarHBondContact O-N 2.88Å; A293-N297 WeakPolarHBondContact O-CB 3.26Å; A293-N297 PolarHBondContact O-N 2.91Å; A293-L305 HydrophobicContact CB-CD1 3.69Å |
| 294 | V | 86 | Confident | 86.3 | Confident | 4 Ų | 4 | 69.4 Ų | 69.4 | 2% | 0.024 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65 | -41.1 | 174 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | L5 L10 L290 F291 V292 N297 G298 W299 L305 | L5-V294 HydrophobicContact CD1-CG1 3.88Å; L10-V294 HydrophobicContact CD2-CB 4.27Å; L10-V294 HydrophobicContact CD2-CG1 3.79Å; L10-V294 HydrophobicContact CD2-CG2 4.37Å; L290-V294 HydrophobicContact CD2-CG2 4.25Å; L290-V294 VanDerWaalsContact O-CG2 3.31Å; L290-V294 WeakPolarHBondContact O-CG2 3.39Å; L290-V294 PolarHBondContact O-N 3.45Å; F291-V294 PolarHBondContact O-N 3.28Å; V292-V294 PolarHBondContact O-N 3.12Å; V294-N297 CarbonylContact O-C 3.6Å; V294-N297 PolarHBondContact O-N 3.27Å; V294-G298 PolarHBondContact O-N 3.16Å; V294-W299 HydrophobicContact CG1-CE3 4.02Å; V294-W299 HydrophobicContact CG1-CZ3 4.33Å; V294-W299 PolarHBondContact O-N 2.91Å; V294-W299 VanDerWaalsContact O-N 3.09Å; V294-L305 HydrophobicContact CG2-CD2 4.01Å |
| 295 | H | 85.8 | Confident | 86.4 | Confident | 99 Ų | 99 | 67.1 Ų | 67.1 | 46% | 0.458 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.9 | -44.8 | 178.5 | -172.8 | -85.6 | 0 | 0 | 0 | 112 | F291 V292 N297 G298 W299 | F291-H295 WeakPolarHBondContact O-CB 3.41Å; F291-H295 PolarHBondContact O-N 3.45Å; V292-H295 PolarHBondContact O-N 3.45Å; H295-N297 VanDerWaalsContact C-N 3.28Å; H295-N297 PolarHBondContact O-N 3.29Å; H295-G298 PolarHBondContact O-N 3.44Å; H295-G298 VanDerWaalsContact O-N 3.11Å; H295-W299 AromaticContact CD2-CZ2 3.93Å; H295-W299 AromaticContact CD2-NE1 3.85Å |
| 296 | I | 87.3 | Confident | 86.5 | Confident | 135 Ų | 135 | 64.5 Ų | 64.5 | 69% | 0.692 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.7 | -36.3 | 176.2 | -67.2 | 169 | 0 | 0 | 0 | 110.8 | V292 G298 | V292-I296 HydrophobicContact CG1-CD1 3.59Å; V292-I296 HydrophobicContact CG1-CG1 4.22Å; V292-I296 VanDerWaalsContact O-CG1 3.28Å; V292-I296 WeakPolarHBondContact O-CG1 3.47Å; V292-I296 PolarHBondContact O-N 3.13Å; I296-G298 PolarHBondContact O-N 3.33Å; I296-G298 VanDerWaalsContact O-N 3.14Å |
| 297 | N | 85.8 | Confident | 86.7 | Confident | 53 Ų | 53 | 66.3 Ų | 66.3 | 28% | 0.283 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 13.2 | 176.7 | -153.1 | 52.2 | 0 | 0 | 0 | 113.7 | A293 V294 H295 W299 R300 D302 L305 | A293-N297 WeakPolarHBondContact O-CB 3.26Å; A293-N297 PolarHBondContact O-N 2.91Å; V294-N297 CarbonylContact O-C 3.6Å; V294-N297 PolarHBondContact O-N 3.27Å; H295-N297 VanDerWaalsContact C-N 3.28Å; H295-N297 PolarHBondContact O-N 3.29Å; N297-W299 VanDerWaalsContact C-N 3.32Å; N297-W299 PolarHBondContact O-N 3.09Å; N297-R300 PolarHBondContact ND2-O 2.94Å; N297-R300 PolarHBondContact O-N 3.38Å; N297-D302 PolarHBondContact ND2-OD2 3.39Å; N297-L305 HydrophobicContact CB-CD2 4.39Å |
| 298 | G | 81.9 | Confident | 86.9 | Confident | 46 Ų | 46 | 69.1 Ų | 69.1 | 47% | 0.474 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 36 | 174 | 0 | 0 | 0 | 0 | 0 | 113.5 | V294 H295 I296 R300 | V294-G298 PolarHBondContact O-N 3.16Å; H295-G298 PolarHBondContact O-N 3.44Å; H295-G298 VanDerWaalsContact O-N 3.11Å; I296-G298 PolarHBondContact O-N 3.33Å; I296-G298 VanDerWaalsContact O-N 3.14Å; G298-R300 PolarHBondContact O-N 3.13Å |
| 299 | W | 81.6 | Confident | 86.9 | Confident | 29 Ų | 29 | 68.2 Ų | 68.2 | 11% | 0.11 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 28.5 | 179 | -57 | 86.5 | 0 | 0 | 0 | 113.9 | L5 C7 L10 F291 V294 H295 N297 | L5-W299 HydrophobicContact CB-CB 4.46Å; L5-W299 HydrophobicContact CB-CE3 4.32Å; L5-W299 WeakPolarHBondContact CB-O 3.32Å; L5-W299 PolarHBondContact N-O 3.23Å; C7-W299 HydrophobicContact CB-CD2 4.26Å; C7-W299 HydrophobicContact CB-CE3 4.09Å; C7-W299 HydrophobicContact CB-CH2 3.58Å; C7-W299 HydrophobicContact CB-CZ2 3.73Å; C7-W299 HydrophobicContact CB-CZ3 3.79Å; C7-W299 WeakPolarHBondContact SG-CH2 3.45Å; C7-W299 WeakPolarHBondContact SG-CZ2 3.29Å; L10-W299 HydrophobicContact CB-CZ3 4.38Å; L10-W299 HydrophobicContact CD2-CZ3 3.79Å; F291-W299 HydrophobicContact CE2-CH2 4.1Å; F291-W299 HydrophobicContact CZ-CH2 4.41Å; V294-W299 HydrophobicContact CG1-CE3 4.02Å; V294-W299 HydrophobicContact CG1-CZ3 4.33Å; V294-W299 PolarHBondContact O-N 2.91Å; V294-W299 VanDerWaalsContact O-N 3.09Å; H295-W299 AromaticContact CD2-CZ2 3.93Å; H295-W299 AromaticContact CD2-NE1 3.85Å; N297-W299 VanDerWaalsContact C-N 3.32Å; N297-W299 PolarHBondContact O-N 3.09Å |
| 300 | R | 81.4 | Confident | 87 | Confident | 125 Ų | 125 | 69.7 Ų | 69.7 | 47% | 0.472 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 133.8 | 172.5 | -64.6 | -175.2 | 178.6 | -167.8 | -1 | 109.8 | N297 G298 D302 | N297-R300 PolarHBondContact ND2-O 2.94Å; N297-R300 PolarHBondContact O-N 3.38Å; G298-R300 PolarHBondContact O-N 3.13Å; R300-D302 PolarHBondContact O-N 2.91Å |
| 301 | L | 81.6 | Confident | 87.3 | Confident | 52 Ų | 52 | 72.3 Ų | 72.3 | 27% | 0.272 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 91.9 | 173.3 | -159.7 | 81.7 | 0 | 0 | 0 | 108.8 | G3 L5 M238 L305 | G3-L301 PolarHBondContact O-N 3.22Å; L5-L301 HydrophobicContact CD1-CB 4.06Å; L5-L301 HydrophobicContact CD1-CD1 4.06Å; M238-L301 HydrophobicContact CG-CD1 4.28Å; M238-L301 HydrophobicContact SD-CD1 3.9Å; L301-L305 HydrophobicContact CD1-CD2 4.15Å |
| 302 | D | 87.9 | Confident | 87.4 | Confident | 49 Ų | 49 | 70.9 Ų | 70.9 | 26% | 0.262 | 37% | 0.372 | S | S | . | . | trans | -96.7 | 153.8 | 177.1 | -68.6 | -57.7 | 0 | 0 | 0 | 111.9 | A2 N297 R300 K304 L305 G306 | A2-D302 VanDerWaalsContact CB-OD1 3.24Å; A2-D302 WeakPolarHBondContact CB-OD1 3.34Å; N297-D302 PolarHBondContact ND2-OD2 3.39Å; R300-D302 PolarHBondContact O-N 2.91Å; D302-K304 PolarHBondContact O-N 3.38Å; D302-K304 VanDerWaalsContact O-N 3.16Å; D302-L305 WeakPolarHBondContact O-CB 3.41Å; D302-L305 PolarHBondContact O-N 3.12Å; D302-G306 PolarHBondContact O-N 3.39Å; D302-G306 VanDerWaalsContact O-N 3.12Å | ||
| 303 | W | 85.3 | Confident | 87.5 | Confident | 186 Ų | 186 | 74.6 Ų | 74.6 | 71% | 0.705 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -59 | -27.4 | 173.3 | 71.9 | -85.2 | 0 | 0 | 0 | 112.6 | G306 I307 | W303-G306 PolarHBondContact O-N 2.94Å; W303-I307 HydrophobicContact CE3-CD1 3.37Å; W303-I307 HydrophobicContact CE3-CG1 4.25Å; W303-I307 HydrophobicContact CZ3-CD1 3.27Å; W303-I307 WeakPolarHBondContact O-CG1 3.46Å; W303-I307 PolarHBondContact O-N 2.98Å |
| 304 | K | 89.7 | Confident | 87.7 | Confident | 135 Ų | 135 | 78.2 Ų | 78.2 | 59% | 0.587 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -64.3 | -46.3 | 173.5 | -62.1 | -176.4 | -178.8 | -175.7 | 0 | 111.7 | D302 G306 I307 V308 | D302-K304 PolarHBondContact O-N 3.38Å; D302-K304 VanDerWaalsContact O-N 3.16Å; K304-G306 VanDerWaalsContact C-N 3.26Å; K304-G306 PolarHBondContact O-N 3.24Å; K304-I307 PolarHBondContact O-N 3.45Å; K304-V308 WeakPolarHBondContact O-CG2 3.42Å; K304-V308 PolarHBondContact O-N 3.06Å |
| 305 | L | 89.8 | Confident | 87.9 | Confident | 18 Ų | 18 | 82.5 Ų | 82.5 | 9% | 0.094 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 175.2 | 179.4 | 66.6 | 0 | 0 | 0 | 110.3 | A293 V294 N297 L301 D302 V308 S309 | A293-L305 HydrophobicContact CB-CD1 3.69Å; V294-L305 HydrophobicContact CG2-CD2 4.01Å; N297-L305 HydrophobicContact CB-CD2 4.39Å; L301-L305 HydrophobicContact CD1-CD2 4.15Å; D302-L305 WeakPolarHBondContact O-CB 3.41Å; D302-L305 PolarHBondContact O-N 3.12Å; L305-V308 PolarHBondContact O-N 2.89Å; L305-S309 WeakPolarHBondContact O-CB 3.46Å; L305-S309 PolarHBondContact O-N 2.89Å; L305-S309 PolarHBondContact O-OG 3.49Å |
| 306 | G | 89.8 | Confident | 87.9 | Confident | 36 Ų | 36 | 80 Ų | 80 | 37% | 0.371 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.1 | -39.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | D302 W303 K304 S309 L310 | D302-G306 PolarHBondContact O-N 3.39Å; D302-G306 VanDerWaalsContact O-N 3.12Å; W303-G306 PolarHBondContact O-N 2.94Å; K304-G306 VanDerWaalsContact C-N 3.26Å; K304-G306 PolarHBondContact O-N 3.24Å; G306-S309 WeakPolarHBondContact CA-OG 3.31Å; G306-S309 PolarHBondContact O-OG 3.02Å; G306-L310 VanDerWaalsContact O-CB 3.27Å; G306-L310 WeakPolarHBondContact O-CB 3.32Å; G306-L310 PolarHBondContact O-N 2.73Å |
| 307 | I | 91.4 | Very high | 87.9 | Confident | 78 Ų | 78 | 75 Ų | 75 | 40% | 0.4 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.5 | -43.7 | 174.7 | -70.6 | 178.2 | 0 | 0 | 0 | 111 | W303 K304 S309 L310 I311 | W303-I307 HydrophobicContact CE3-CD1 3.37Å; W303-I307 HydrophobicContact CE3-CG1 4.25Å; W303-I307 HydrophobicContact CZ3-CD1 3.27Å; W303-I307 WeakPolarHBondContact O-CG1 3.46Å; W303-I307 PolarHBondContact O-N 2.98Å; K304-I307 PolarHBondContact O-N 3.45Å; I307-S309 VanDerWaalsContact C-N 3.34Å; I307-S309 PolarHBondContact O-N 2.87Å; I307-L310 PolarHBondContact O-N 2.95Å; I307-I311 HydrophobicContact CG2-CD1 3.77Å; I307-I311 HydrophobicContact CG2-CG1 4.37Å; I307-I311 WeakPolarHBondContact O-CG1 3.35Å; I307-I311 PolarHBondContact O-N 2.9Å |
| 308 | V | 91.5 | Very high | 88 | Confident | 74 Ų | 74 | 75.9 Ų | 75.9 | 45% | 0.448 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.6 | -45.1 | 177.3 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | F289 K304 L305 I311 C312 | F289-V308 HydrophobicContact CZ-CG1 4.14Å; K304-V308 WeakPolarHBondContact O-CG2 3.42Å; K304-V308 PolarHBondContact O-N 3.06Å; L305-V308 PolarHBondContact O-N 2.89Å; V308-I311 PolarHBondContact O-N 3.45Å; V308-C312 WeakPolarHBondContact O-CB 3.49Å; V308-C312 PolarHBondContact O-N 3.02Å |
| 309 | S | 89.4 | Confident | 88.3 | Confident | 56 Ų | 56 | 77 Ų | 77 | 39% | 0.392 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.2 | -36.8 | 177.4 | 66.3 | 0 | 0 | 0 | 0 | 112.4 | L305 G306 I307 C312 Y313 | L305-S309 WeakPolarHBondContact O-CB 3.46Å; L305-S309 PolarHBondContact O-N 2.89Å; L305-S309 PolarHBondContact O-OG 3.49Å; G306-S309 WeakPolarHBondContact CA-OG 3.31Å; G306-S309 PolarHBondContact O-OG 3.02Å; I307-S309 VanDerWaalsContact C-N 3.34Å; I307-S309 PolarHBondContact O-N 2.87Å; S309-C312 PolarHBondContact O-N 3.31Å; S309-Y313 WeakPolarHBondContact O-CB 3.3Å; S309-Y313 PolarHBondContact O-N 3.2Å |
| 310 | L | 91.4 | Very high | 88.4 | Confident | 99 Ų | 99 | 76.5 Ų | 76.5 | 52% | 0.518 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.3 | -44 | 175.3 | -173.4 | 71.3 | 0 | 0 | 0 | 112.1 | G306 I307 Y313 I314 | G306-L310 VanDerWaalsContact O-CB 3.27Å; G306-L310 WeakPolarHBondContact O-CB 3.32Å; G306-L310 PolarHBondContact O-N 2.73Å; I307-L310 PolarHBondContact O-N 2.95Å; L310-Y313 PolarHBondContact O-N 3.25Å; L310-I314 HydrophobicContact CG-CD1 4.29Å; L310-I314 WeakPolarHBondContact O-CG1 3.32Å; L310-I314 PolarHBondContact O-N 3.47Å |
| 311 | I | 92.2 | Very high | 88.5 | Confident | 105 Ų | 105 | 73 Ų | 73 | 54% | 0.538 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 176.5 | -69 | 168.6 | 0 | 0 | 0 | 110.2 | I307 V308 Y313 I314 L315 | I307-I311 HydrophobicContact CG2-CD1 3.77Å; I307-I311 HydrophobicContact CG2-CG1 4.37Å; I307-I311 WeakPolarHBondContact O-CG1 3.35Å; I307-I311 PolarHBondContact O-N 2.9Å; V308-I311 PolarHBondContact O-N 3.45Å; I311-Y313 VanDerWaalsContact C-N 3.34Å; I311-Y313 PolarHBondContact O-N 3.28Å; I311-I314 PolarHBondContact O-N 3.12Å; I311-L315 WeakPolarHBondContact O-CB 3.31Å; I311-L315 PolarHBondContact O-N 3Å |
| 312 | C | 90.1 | Very high | 88.7 | Confident | 26 Ų | 26 | 73.4 Ų | 73.4 | 18% | 0.176 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.4 | -39.9 | 175.9 | -80.9 | 0 | 0 | 0 | 0 | 112.4 | F289 V308 S309 L315 F316 | F289-C312 HydrophobicContact CD1-CB 4.39Å; F289-C312 HydrophobicContact CE1-CB 3.7Å; F289-C312 HydrophobicContact CZ-CB 3.92Å; F289-C312 WeakPolarHBondContact CZ-SG 3.37Å; V308-C312 WeakPolarHBondContact O-CB 3.49Å; V308-C312 PolarHBondContact O-N 3.02Å; S309-C312 PolarHBondContact O-N 3.31Å; C312-L315 PolarHBondContact O-N 2.82Å; C312-F316 HydrophobicContact CB-CD2 4.36Å; C312-F316 HydrophobicContact CB-CE2 4.24Å; C312-F316 WeakPolarHBondContact O-CB 3.36Å; C312-F316 WeakPolarHBondContact O-CD2 3.42Å; C312-F316 WeakPolarHBondContact O-CG 3.35Å; C312-F316 PolarHBondContact O-N 3.02Å |
| 313 | Y | 90 | Very high | 88.4 | Confident | 145 Ų | 145 | 73 Ų | 73 | 57% | 0.569 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -59.6 | -49.5 | 174.6 | 166.7 | -103 | 0 | 0 | 0 | 111.7 | S309 L310 I311 L315 F316 A317 | S309-Y313 WeakPolarHBondContact O-CB 3.3Å; S309-Y313 PolarHBondContact O-N 3.2Å; L310-Y313 PolarHBondContact O-N 3.25Å; I311-Y313 VanDerWaalsContact C-N 3.34Å; I311-Y313 PolarHBondContact O-N 3.28Å; Y313-L315 VanDerWaalsContact C-N 3.3Å; Y313-L315 PolarHBondContact O-N 2.94Å; Y313-F316 PolarHBondContact O-N 3.13Å; Y313-A317 VanDerWaalsContact O-CB 3.23Å; Y313-A317 WeakPolarHBondContact O-CB 3.49Å; Y313-A317 PolarHBondContact O-N 2.94Å |
| 314 | I | 91.3 | Very high | 88.1 | Confident | 93 Ų | 93 | 66.3 Ų | 66.3 | 48% | 0.477 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.7 | -42 | 177.9 | -66.6 | 168.7 | 0 | 0 | 0 | 110.4 | L310 I311 T318 | L310-I314 HydrophobicContact CG-CD1 4.29Å; L310-I314 WeakPolarHBondContact O-CG1 3.32Å; L310-I314 PolarHBondContact O-N 3.47Å; I311-I314 PolarHBondContact O-N 3.12Å; I314-T318 HydrophobicContact CG2-CG2 4.32Å; I314-T318 WeakPolarHBondContact O-CB 3.4Å; I314-T318 WeakPolarHBondContact O-CG2 3.49Å; I314-T318 PolarHBondContact O-N 3.09Å; I314-T318 PolarHBondContact O-OG1 3.31Å |
| 315 | L | 90.3 | Very high | 87.6 | Confident | 94 Ų | 94 | 62.5 Ų | 62.5 | 49% | 0.492 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62 | -49.2 | 176.4 | -176.7 | 68.5 | 0 | 0 | 0 | 112.1 | I311 C312 Y313 T318 L319 | I311-L315 WeakPolarHBondContact O-CB 3.31Å; I311-L315 PolarHBondContact O-N 3Å; C312-L315 PolarHBondContact O-N 2.82Å; Y313-L315 VanDerWaalsContact C-N 3.3Å; Y313-L315 PolarHBondContact O-N 2.94Å; L315-T318 WeakPolarHBondContact CA-OG1 3.38Å; L315-T318 PolarHBondContact O-N 3.18Å; L315-T318 PolarHBondContact O-OG1 3.4Å; L315-L319 HydrophobicContact CD1-CD1 4.42Å; L315-L319 HydrophobicContact CG-CD1 4.17Å; L315-L319 WeakPolarHBondContact O-CB 3.36Å; L315-L319 VanDerWaalsContact O-CG 3.25Å; L315-L319 WeakPolarHBondContact O-CG 3.31Å; L315-L319 PolarHBondContact O-N 3.03Å |
| 316 | F | 87.2 | Confident | 86.8 | Confident | 45 Ų | 45 | 62.9 Ų | 62.9 | 20% | 0.197 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.5 | -39.6 | 179.6 | -73.6 | -54.3 | 0 | 0 | 0 | 112.7 | T282 L285 C312 Y313 L319 S320 | T282-F316 HydrophobicContact CG2-CB 4.23Å; T282-F316 HydrophobicContact CG2-CD1 4.06Å; T282-F316 HydrophobicContact CG2-CG 4.36Å; L285-F316 HydrophobicContact CD2-CE1 3.74Å; L285-F316 HydrophobicContact CD2-CZ 3.93Å; L285-F316 HydrophobicContact CG-CE1 4.49Å; L285-F316 HydrophobicContact CG-CZ 4.27Å; C312-F316 HydrophobicContact CB-CD2 4.36Å; C312-F316 HydrophobicContact CB-CE2 4.24Å; C312-F316 WeakPolarHBondContact O-CB 3.36Å; C312-F316 WeakPolarHBondContact O-CD2 3.42Å; C312-F316 WeakPolarHBondContact O-CG 3.35Å; C312-F316 PolarHBondContact O-N 3.02Å; Y313-F316 PolarHBondContact O-N 3.13Å; F316-L319 PolarHBondContact O-N 3.16Å; F316-S320 WeakPolarHBondContact O-CB 3.35Å; F316-S320 PolarHBondContact O-N 3.05Å; F316-S320 PolarHBondContact O-OG 3.2Å |
| 317 | A | 87 | Confident | 86.2 | Confident | 30 Ų | 30 | 66.8 Ų | 66.8 | 25% | 0.248 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.5 | -46.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | Y313 L319 S320 I321 | Y313-A317 VanDerWaalsContact O-CB 3.23Å; Y313-A317 WeakPolarHBondContact O-CB 3.49Å; Y313-A317 PolarHBondContact O-N 2.94Å; A317-L319 PolarHBondContact O-N 3.4Å; A317-S320 PolarHBondContact O-N 3.15Å; A317-I321 WeakPolarHBondContact O-CD1 3.08Å; A317-I321 VanDerWaalsContact O-CG1 3.25Å; A317-I321 WeakPolarHBondContact O-CG1 3.45Å; A317-I321 PolarHBondContact O-N 3.05Å |
| 318 | T | 88.3 | Confident | 85.1 | Confident | 73 Ų | 73 | 67.9 Ų | 67.9 | 45% | 0.448 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 177 | 50.9 | 0 | 0 | 0 | 0 | 112.2 | I314 L315 S320 I321 L322 | I314-T318 HydrophobicContact CG2-CG2 4.32Å; I314-T318 WeakPolarHBondContact O-CB 3.4Å; I314-T318 WeakPolarHBondContact O-CG2 3.49Å; I314-T318 PolarHBondContact O-N 3.09Å; I314-T318 PolarHBondContact O-OG1 3.31Å; L315-T318 WeakPolarHBondContact CA-OG1 3.38Å; L315-T318 PolarHBondContact O-N 3.18Å; L315-T318 PolarHBondContact O-OG1 3.4Å; T318-S320 VanDerWaalsContact C-N 3.33Å; T318-S320 PolarHBondContact O-N 3.27Å; T318-I321 PolarHBondContact O-N 3.14Å; T318-L322 WeakPolarHBondContact O-CB 3.4Å; T318-L322 PolarHBondContact O-N 3.23Å |
| 319 | L | 86.4 | Confident | 83.5 | Confident | 70 Ų | 70 | 65 Ų | 65 | 37% | 0.366 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.5 | -40.3 | 173.9 | -72.6 | 172.5 | 0 | 0 | 0 | 112.3 | L315 F316 A317 L322 Y323 I328 | L315-L319 HydrophobicContact CD1-CD1 4.42Å; L315-L319 HydrophobicContact CG-CD1 4.17Å; L315-L319 WeakPolarHBondContact O-CB 3.36Å; L315-L319 VanDerWaalsContact O-CG 3.25Å; L315-L319 WeakPolarHBondContact O-CG 3.31Å; L315-L319 PolarHBondContact O-N 3.03Å; F316-L319 PolarHBondContact O-N 3.16Å; A317-L319 PolarHBondContact O-N 3.4Å; L319-L322 PolarHBondContact O-N 3.06Å; L319-Y323 WeakPolarHBondContact O-CB 3.38Å; L319-Y323 PolarHBondContact O-N 2.84Å; L319-I328 HydrophobicContact CD2-CD1 4.41Å |
| 320 | S | 83.8 | Confident | 81.8 | Confident | 18 Ų | 18 | 70.6 Ų | 70.6 | 13% | 0.126 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.1 | -44.9 | 178.7 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | F316 A317 T318 Y323 E324 | F316-S320 WeakPolarHBondContact O-CB 3.35Å; F316-S320 PolarHBondContact O-N 3.05Å; F316-S320 PolarHBondContact O-OG 3.2Å; A317-S320 PolarHBondContact O-N 3.15Å; T318-S320 VanDerWaalsContact C-N 3.33Å; T318-S320 PolarHBondContact O-N 3.27Å; S320-Y323 PolarHBondContact O-N 3.06Å; S320-E324 PolarHBondContact O-N 2.9Å |
| 321 | I | 84.9 | Confident | 80 | Confident | 52 Ų | 52 | 68.7 Ų | 68.7 | 27% | 0.267 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 175.7 | -65 | 163.2 | 0 | 0 | 0 | 110.3 | V207 T211 A317 T318 Y323 E324 M325 | V207-I321 HydrophobicContact CG1-CG1 4.33Å; V207-I321 HydrophobicContact CG1-CG2 3.93Å; T211-I321 HydrophobicContact CG2-CD1 3.55Å; T211-I321 HydrophobicContact CG2-CG1 4.12Å; A317-I321 WeakPolarHBondContact O-CD1 3.08Å; A317-I321 VanDerWaalsContact O-CG1 3.25Å; A317-I321 WeakPolarHBondContact O-CG1 3.45Å; A317-I321 PolarHBondContact O-N 3.05Å; T318-I321 PolarHBondContact O-N 3.14Å; I321-Y323 VanDerWaalsContact C-N 3.28Å; I321-Y323 PolarHBondContact O-N 3.39Å; I321-E324 PolarHBondContact O-N 2.95Å; I321-M325 HydrophobicContact CG2-CG 4.19Å; I321-M325 WeakPolarHBondContact O-CB 3.5Å; I321-M325 WeakPolarHBondContact O-CG 3.21Å; I321-M325 PolarHBondContact O-N 3.4Å |
| 322 | L | 84.9 | Confident | 78.1 | Confident | 59 Ų | 59 | 69.2 Ų | 69.2 | 31% | 0.309 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -68.3 | -29.9 | -177.2 | -164.1 | 60.2 | 0 | 0 | 0 | 112.7 | T318 L319 I327 I328 | T318-L322 WeakPolarHBondContact O-CB 3.4Å; T318-L322 PolarHBondContact O-N 3.23Å; L319-L322 PolarHBondContact O-N 3.06Å; L322-I327 HydrophobicContact CD1-CB 3.51Å; L322-I327 HydrophobicContact CD1-CD1 3.42Å; L322-I327 VanDerWaalsContact CD1-CD1 3.42Å; L322-I327 HydrophobicContact CD1-CG1 4.01Å; L322-I327 HydrophobicContact CD1-CG2 3.6Å; L322-I327 HydrophobicContact CG-CB 3.98Å; L322-I327 HydrophobicContact CG-CG2 4.06Å; L322-I327 PolarHBondContact O-N 2.99Å; L322-I327 VanDerWaalsContact O-N 3.15Å; L322-I328 HydrophobicContact CB-CD1 4.32Å; L322-I328 HydrophobicContact CD2-CD1 3.21Å; L322-I328 HydrophobicContact CD2-CG1 3.79Å; L322-I328 HydrophobicContact CG-CB 4.49Å; L322-I328 HydrophobicContact CG-CD1 3.7Å; L322-I328 HydrophobicContact CG-CG1 3.83Å; L322-I328 PolarHBondContact O-N 2.97Å |
| 323 | Y | 81.4 | Confident | 76.3 | Confident | 41 Ų | 41 | 72.4 Ų | 72.4 | 16% | 0.161 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -69 | -47.2 | 170.9 | -175.2 | -93.8 | 0 | 0 | 0 | 111.7 | F278 L319 S320 I321 M325 G326 | F278-Y323 HydrophobicContact CB-CD1 4.16Å; F278-Y323 HydrophobicContact CB-CE1 3.77Å; F278-Y323 AromaticContact CD1-CD1 3.62Å; F278-Y323 HydrophobicContact CD1-CD1 3.62Å; F278-Y323 HydrophobicContact CD1-CD2 4.47Å; F278-Y323 HydrophobicContact CD1-CE1 4.12Å; F278-Y323 AromaticContact CD1-CG 3.83Å; F278-Y323 HydrophobicContact CD1-CG 3.83Å; F278-Y323 HydrophobicContact CD2-CD2 4.38Å; F278-Y323 HydrophobicContact CD2-CE1 4.46Å; F278-Y323 HydrophobicContact CD2-CE2 4.3Å; F278-Y323 HydrophobicContact CE1-CD1 4.17Å; F278-Y323 HydrophobicContact CE1-CD2 4.44Å; F278-Y323 AromaticContact CE1-CG 3.9Å; F278-Y323 HydrophobicContact CE1-CG 3.9Å; F278-Y323 HydrophobicContact CE2-CD2 4.34Å; F278-Y323 AromaticContact CG-CD1 3.85Å; F278-Y323 HydrophobicContact CG-CD1 3.85Å; F278-Y323 HydrophobicContact CG-CD2 4.45Å; F278-Y323 AromaticContact CG-CE1 3.85Å; F278-Y323 HydrophobicContact CG-CE1 3.85Å; F278-Y323 HydrophobicContact CG-CE2 4.45Å; F278-Y323 HydrophobicContact CG-CG 4.15Å; F278-Y323 HydrophobicContact CZ-CD2 4.37Å; F278-Y323 HydrophobicContact CZ-CG 4.27Å; L319-Y323 WeakPolarHBondContact O-CB 3.38Å; L319-Y323 PolarHBondContact O-N 2.84Å; S320-Y323 PolarHBondContact O-N 3.06Å; I321-Y323 VanDerWaalsContact C-N 3.28Å; I321-Y323 PolarHBondContact O-N 3.39Å; Y323-M325 VanDerWaalsContact C-N 3.32Å; Y323-M325 PolarHBondContact O-N 3.32Å; Y323-G326 PolarHBondContact O-N 2.5Å |
| 324 | E | 78.9 | Confident | 74.3 | Confident | 45 Ų | 45 | 76.5 Ų | 76.5 | 21% | 0.21 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65.7 | -35.7 | -179.7 | -166.2 | 66.8 | -174.5 | 0 | 0 | 112.2 | T206 V207 S320 I321 G326 | T206-E324 VanDerWaalsContact CB-OE1 3.22Å; T206-E324 WeakPolarHBondContact CB-OE1 3.14Å; T206-E324 HydrophobicContact CG2-CG 4.22Å; T206-E324 WeakPolarHBondContact CG2-OE1 3.31Å; T206-E324 PolarHBondContact OG1-OE1 3.46Å; V207-E324 HydrophobicContact CG2-CB 3.89Å; V207-E324 HydrophobicContact CG2-CG 3.68Å; S320-E324 PolarHBondContact O-N 2.9Å; I321-E324 PolarHBondContact O-N 2.95Å; E324-G326 PolarHBondContact O-N 3.34Å; E324-G326 VanDerWaalsContact O-N 3.12Å |
| 325 | M | 79.4 | Confident | 72.1 | Confident | 56 Ų | 56 | 76.1 Ų | 76.1 | 28% | 0.276 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | 2.1 | 173.1 | -65.6 | -64.8 | -67.1 | 0 | 0 | 113.4 | P204 V207 I321 Y323 I327 | P204-M325 VanDerWaalsContact CD-SD 3.59Å; P204-M325 HydrophobicContact CG-SD 4.08Å; V207-M325 HydrophobicContact CG2-CG 4.48Å; V207-M325 HydrophobicContact CG2-SD 4.21Å; I321-M325 HydrophobicContact CG2-CG 4.19Å; I321-M325 WeakPolarHBondContact O-CB 3.5Å; I321-M325 WeakPolarHBondContact O-CG 3.21Å; I321-M325 PolarHBondContact O-N 3.4Å; Y323-M325 VanDerWaalsContact C-N 3.32Å; Y323-M325 PolarHBondContact O-N 3.32Å; M325-I327 HydrophobicContact CB-CD1 4.1Å; M325-I327 HydrophobicContact CB-CG1 4.34Å; M325-I327 PolarHBondContact O-N 3.43Å |
| 326 | G | 73.5 | Confident | 69.8 | Low | 25 Ų | 25 | 78 Ų | 78 | 26% | 0.258 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69 | 15.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y323 E324 G329 | Y323-G326 PolarHBondContact O-N 2.5Å; E324-G326 PolarHBondContact O-N 3.34Å; E324-G326 VanDerWaalsContact O-N 3.12Å; G326-G329 CarbonylContact C-O 3.43Å; G326-G329 VanDerWaalsContact O-O 3.07Å |
| 327 | I | 77.7 | Confident | 67.4 | Low | 119 Ų | 119 | 80.2 Ų | 80.2 | 61% | 0.61 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -82.5 | -34.7 | -178.8 | -65.7 | 165.8 | 0 | 0 | 0 | 111 | L322 M325 | L322-I327 HydrophobicContact CD1-CB 3.51Å; L322-I327 HydrophobicContact CD1-CD1 3.42Å; L322-I327 VanDerWaalsContact CD1-CD1 3.42Å; L322-I327 HydrophobicContact CD1-CG1 4.01Å; L322-I327 HydrophobicContact CD1-CG2 3.6Å; L322-I327 HydrophobicContact CG-CB 3.98Å; L322-I327 HydrophobicContact CG-CG2 4.06Å; L322-I327 PolarHBondContact O-N 2.99Å; L322-I327 VanDerWaalsContact O-N 3.15Å; M325-I327 HydrophobicContact CB-CD1 4.1Å; M325-I327 HydrophobicContact CB-CG1 4.34Å; M325-I327 PolarHBondContact O-N 3.43Å |
| 328 | I | 66.8 | Low | 65 | Low | 100 Ų | 100 | 90 Ų | 90 | 51% | 0.513 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -105.5 | -4.3 | -179.2 | -75.7 | -177 | 0 | 0 | 0 | 113.5 | L319 L322 | L319-I328 HydrophobicContact CD2-CD1 4.41Å; L322-I328 HydrophobicContact CB-CD1 4.32Å; L322-I328 HydrophobicContact CD2-CD1 3.21Å; L322-I328 HydrophobicContact CD2-CG1 3.79Å; L322-I328 HydrophobicContact CG-CB 4.49Å; L322-I328 HydrophobicContact CG-CD1 3.7Å; L322-I328 HydrophobicContact CG-CG1 3.83Å; L322-I328 PolarHBondContact O-N 2.97Å |
| 329 | G | 59.3 | Low | 63.8 | Low | 15 Ų | 15 | 90.9 Ų | 90.9 | 16% | 0.155 | 49% | 0.492 | C | S | . | . | S | Bend | trans | -138 | 141.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | G326 N331 | G326-G329 CarbonylContact C-O 3.43Å; G326-G329 VanDerWaalsContact O-O 3.07Å; G329-N331 PolarHBondContact O-N 3.44Å |
| 330 | N | 53.2 | Low | 62.6 | Low | 173 Ų | 173 | 92 Ų | 92 | 93% | 0.925 | 50% | 0.498 | S | S | * | . | trans | -66.7 | 52.5 | 176.3 | -91.5 | 4.9 | 0 | 0 | 0 | 112.7 | P332 | N330-P332 WeakPolarHBondContact O-CD 3.42Š| ||
| 331 | N | 54.3 | Low | 61.5 | Low | 59 Ų | 59 | 96.1 Ų | 96.1 | 32% | 0.316 | 52% | 0.519 | S | S | . | . | trans | -100.4 | 106.2 | 171 | -74.2 | -21 | 0 | 0 | 0 | 107.2 | G329 I333 | G329-N331 PolarHBondContact O-N 3.44Å; N331-I333 PolarHBondContact O-N 3.45Å; N331-I333 VanDerWaalsContact O-N 3.13Å | ||
| 332 | P | 51.7 | Low | 60.1 | Low | 115 Ų | 115 | 98.7 Ų | 98.7 | 75% | 0.747 | 53% | 0.534 | S | S | * | . | trans | -62.3 | 120.6 | 171.6 | 25.6 | -30.7 | 0 | 0 | 0 | 107.5 | N330 R334 | N330-P332 WeakPolarHBondContact O-CD 3.42Å; P332-R334 VanDerWaalsContact C-N 3.35Å; P332-R334 PolarHBondContact O-N 2.87Å | ||
| 333 | I | 51.7 | Low | 58.5 | Low | 93 Ų | 93 | 101.2 Ų | 101.2 | 48% | 0.477 | 55% | 0.548 | S | S | . | . | trans | -58.4 | 102 | 171.4 | -44.6 | 169.6 | 0 | 0 | 0 | 105.7 | N331 L335 | N331-I333 PolarHBondContact O-N 3.45Å; N331-I333 VanDerWaalsContact O-N 3.13Å; I333-L335 HydrophobicContact CG2-CD1 3.58Å; I333-L335 PolarHBondContact O-N 2.72Å | ||
| 334 | R | 47.7 | Very low | 57 | Low | 232 Ų | 232 | 105.2 Ų | 105.2 | 88% | 0.875 | 57% | 0.574 | S | S | * | * | trans | -77.9 | 82.9 | 159.9 | -75.8 | -158.7 | -173.7 | -156.9 | 4.4 | 105.5 | P332 C336 | P332-R334 VanDerWaalsContact C-N 3.35Å; P332-R334 PolarHBondContact O-N 2.87Å; R334-C336 PolarHBondContact O-N 3.04Å | ||
| 335 | L | 45.1 | Very low | 55.4 | Low | 85 Ų | 85 | 109.5 Ų | 109.5 | 45% | 0.445 | 60% | 0.6 | S | S | . | * | trans | -49.2 | 122.9 | 145.6 | -103 | 72.8 | 0 | 0 | 0 | 104.5 | D202 I333 S337 | D202-L335 VanDerWaalsContact OD1-CD2 3.25Å; D202-L335 WeakPolarHBondContact OD1-CD2 3.23Å; I333-L335 HydrophobicContact CG2-CD1 3.58Å; I333-L335 PolarHBondContact O-N 2.72Å; L335-S337 PolarHBondContact O-N 3.09Å | ||
| 336 | C | 42.3 | Very low | 53.6 | Low | 133 Ų | 133 | 113.6 Ų | 113.6 | 90% | 0.899 | 63% | 0.625 | S | S | * | * | trans | -63 | 83.4 | 164.1 | -74.3 | 0 | 0 | 0 | 0 | 107 | R334 | R334-C336 PolarHBondContact O-N 3.04Š| ||
| 337 | S | 36.6 | Very low | 51.9 | Low | 91 Ų | 91 | 121 Ų | 121 | 64% | 0.636 | 66% | 0.655 | S | S | * | * | trans | -84 | 115.2 | 154 | -62.9 | 0 | 0 | 0 | 0 | 106.4 | L335 | L335-S337 PolarHBondContact O-N 3.09Š| ||
| 338 | D | 36.9 | Very low | 49.6 | Very low | 237 Ų | 237 | 121.2 Ų | 121.2 | 100% | 1.267 | 66% | 0.66 | S | S | * | * | trans | 80.8 | 0 | 171.1 | -52.9 | -24.6 | 0 | 0 | 0 | 118.7 |
Retrieved 338 of 338 residues in 194.3 ms
(Link to these results)