| 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 | 40.2 | Very low | 77.2 | Confident | 243 Ų | 243 | 88.9 Ų | 88.9 | 100% | 1.197 | 46% | 0.456 | S | S | * | . | 0 | 92.1 | 0 | -76.1 | 173.7 | 172.6 | 0 | 0 | 108.3 | S3 | M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 2.89Å; M1-S3 VanDerWaalsContact O-N 3.08Å | |||
| 2 | S | 47 | Very low | 78.6 | Confident | 109 Ų | 109 | 90.3 Ų | 90.3 | 76% | 0.762 | 48% | 0.475 | S | S | * | . | trans | -72.2 | 95.7 | 162.6 | 55.1 | 0 | 0 | 0 | 0 | 106.2 | N4 | S2-N4 PolarHBondContact O-N 3.49Š| ||
| 3 | S | 56.6 | Low | 79.7 | Confident | 81 Ų | 81 | 95.2 Ų | 95.2 | 57% | 0.566 | 49% | 0.485 | S | S | * | . | trans | -55.5 | 117.7 | 166.7 | 67.7 | 0 | 0 | 0 | 0 | 106.1 | M1 R5 | M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 2.89Å; M1-S3 VanDerWaalsContact O-N 3.08Å; S3-R5 WeakPolarHBondContact O-CG 3.46Å; S3-R5 PolarHBondContact O-N 2.97Å | ||
| 4 | N | 64.6 | Low | 80.7 | Confident | 121 Ų | 121 | 88.9 Ų | 88.9 | 65% | 0.647 | 45% | 0.453 | S | S | * | . | trans | -49.2 | 101 | -179.6 | -99.7 | -6.2 | 0 | 0 | 0 | 109.5 | S2 T6 | S2-N4 PolarHBondContact O-N 3.49Å; N4-T6 HydrophobicContact CB-CG2 4.25Å; N4-T6 PolarHBondContact O-N 3.14Å | ||
| 5 | R | 81.6 | Confident | 81.6 | Confident | 144 Ų | 144 | 91.7 Ų | 91.7 | 54% | 0.543 | 46% | 0.461 | S | S | . | . | trans | -84.1 | 44.2 | -179.5 | -69.3 | -169.4 | 180 | -179.1 | -0.5 | 110.4 | S3 M9 E29 Q30 | S3-R5 WeakPolarHBondContact O-CG 3.46Å; S3-R5 PolarHBondContact O-N 2.97Å; R5-M9 VanDerWaalsContact C-SD 3.6Å; R5-M9 WeakPolarHBondContact CA-SD 3.47Å; R5-M9 HydrophobicContact CB-SD 3.96Å; R5-M9 HydrophobicContact CG-SD 4.32Å; R5-E29 CarbonylContact O-C 3.45Å; R5-E29 WeakPolarHBondContact O-CA 3.48Å; R5-Q30 PolarHBondContact O-N 2.93Å | ||
| 6 | T | 92.6 | Very high | 82.4 | Confident | 27 Ų | 27 | 90.6 Ų | 90.6 | 17% | 0.166 | 46% | 0.456 | C | S | . | . | B | Isolated β-bridge | trans | -71.6 | 159.6 | -176.2 | 57.7 | 0 | 0 | 0 | 0 | 111 | N4 E8 M9 Y26 F28 | N4-T6 HydrophobicContact CB-CG2 4.25Å; N4-T6 PolarHBondContact O-N 3.14Å; T6-E8 PolarHBondContact O-N 3.21Å; T6-E8 VanDerWaalsContact O-N 3.17Å; T6-M9 WeakPolarHBondContact O-CB 3.42Å; T6-M9 WeakPolarHBondContact O-CG 3.47Å; T6-M9 PolarHBondContact O-N 3.1Å; T6-Y26 WeakPolarHBondContact CB-O 3.26Å; T6-F28 CarbonylContact C-O 3.59Å; T6-F28 VanDerWaalsContact CA-O 3.31Å; T6-F28 WeakPolarHBondContact CA-O 3.17Å |
| 7 | I | 93.2 | Very high | 83.3 | Confident | 1 Ų | 1 | 85.6 Ų | 85.6 | 1% | 0.005 | 43% | 0.431 | C | S | . | . | G | 310 helix | trans | -55.8 | -31 | 173.2 | -76.6 | 172.7 | 0 | 0 | 0 | 111.5 | M9 L10 V21 W25 F28 Q30 Q185 | I7-M9 PolarHBondContact O-N 2.9Å; I7-M9 VanDerWaalsContact O-N 3.16Å; I7-L10 VanDerWaalsContact O-CB 3.27Å; I7-L10 WeakPolarHBondContact O-CB 3.47Å; I7-L10 WeakPolarHBondContact O-CG 3.5Å; I7-L10 PolarHBondContact O-N 3.49Å; I7-V21 HydrophobicContact CG2-CG1 4.02Å; I7-W25 HydrophobicContact CD1-CB 4.04Å; I7-W25 HydrophobicContact CG2-CB 4.26Å; I7-F28 HydrophobicContact CD1-CB 4.24Å; I7-F28 PolarHBondContact N-O 3.09Å; I7-Q30 HydrophobicContact CG1-CG 4.37Å; I7-Q185 HydrophobicContact CD1-CG 3.93Å; I7-Q185 HydrophobicContact CG1-CG 4.19Å; I7-Q185 HydrophobicContact CG2-CG 3.67Å |
| 8 | E | 93.5 | Very high | 83.9 | Confident | 86 Ų | 86 | 87.3 Ų | 87.3 | 40% | 0.402 | 44% | 0.441 | S | S | . | . | G | 310 helix | trans | -58.7 | -27.3 | 176.9 | -178 | 162.5 | -139.9 | 0 | 0 | 113.7 | T6 L10 R11 Y26 | T6-E8 PolarHBondContact O-N 3.21Å; T6-E8 VanDerWaalsContact O-N 3.17Å; E8-L10 PolarHBondContact O-N 3Å; E8-R11 VanDerWaalsContact O-CB 3.27Å; E8-R11 WeakPolarHBondContact O-CB 3.31Å; E8-R11 PolarHBondContact O-N 3.4Å; E8-R11 VanDerWaalsContact O-N 3.1Å; E8-R11 IonicContact OE1-CZ 3.87Å; E8-R11 IonicContact OE1-NE 3.89Å; E8-R11 IonicContact OE1-NH2 3.03Å; E8-R11 PolarHBondContact OE1-NH2 3.23Å; E8-Y26 HydrophobicContact CB-CG 4.23Å |
| 9 | M | 92.4 | Very high | 84.6 | Confident | 77 Ų | 77 | 85.6 Ų | 85.6 | 38% | 0.379 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -64.2 | -13.4 | 176.2 | 86.5 | -170.7 | -74.7 | 0 | 0 | 113.3 | R5 T6 I7 R11 P12 Q30 | R5-M9 VanDerWaalsContact C-SD 3.6Å; R5-M9 WeakPolarHBondContact CA-SD 3.47Å; R5-M9 HydrophobicContact CB-SD 3.96Å; R5-M9 HydrophobicContact CG-SD 4.32Å; T6-M9 WeakPolarHBondContact O-CB 3.42Å; T6-M9 WeakPolarHBondContact O-CG 3.47Å; T6-M9 PolarHBondContact O-N 3.1Å; I7-M9 PolarHBondContact O-N 2.9Å; I7-M9 VanDerWaalsContact O-N 3.16Å; M9-R11 VanDerWaalsContact C-N 3.3Å; M9-P12 WeakPolarHBondContact O-CD 3.37Å; M9-Q30 PolarHBondContact SD-NE2 3.38Å |
| 10 | L | 93.3 | Very high | 85.2 | Confident | 6 Ų | 6 | 81.3 Ų | 81.3 | 3% | 0.031 | 42% | 0.417 | C | S | . | . | G | 310 helix | trans | -76.6 | -15.5 | 176.4 | -64.3 | 176.8 | 0 | 0 | 0 | 113.3 | I7 E8 P12 Y13 M14 F17 F102 Q185 | I7-L10 VanDerWaalsContact O-CB 3.27Å; I7-L10 WeakPolarHBondContact O-CB 3.47Å; I7-L10 WeakPolarHBondContact O-CG 3.5Å; I7-L10 PolarHBondContact O-N 3.49Å; E8-L10 PolarHBondContact O-N 3Å; L10-P12 VanDerWaalsContact C-CD 3.48Å; L10-Y13 WeakPolarHBondContact O-CA 3.38Å; L10-Y13 PolarHBondContact O-N 3Å; L10-M14 HydrophobicContact CB-CG 3.98Å; L10-M14 HydrophobicContact CB-SD 3.61Å; L10-M14 HydrophobicContact CD1-SD 3.76Å; L10-M14 HydrophobicContact CG-SD 4.27Å; L10-M14 PolarHBondContact O-N 3.17Å; L10-F17 HydrophobicContact CB-CE2 4.11Å; L10-F102 HydrophobicContact CD1-CB 3.94Å; L10-F102 HydrophobicContact CD2-CB 3.89Å; L10-F102 HydrophobicContact CD2-CD1 4.27Å; L10-F102 HydrophobicContact CD2-CG 4.39Å; L10-F102 HydrophobicContact CG-CB 4.42Å; L10-Q185 HydrophobicContact CD1-CB 4.17Å; L10-Q185 HydrophobicContact CD1-CG 4.41Å |
| 11 | R | 94.8 | Very high | 85.8 | Confident | 83 Ų | 83 | 77.5 Ų | 77.5 | 31% | 0.313 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.7 | -46.7 | -177.4 | -174.3 | -173.9 | -63.2 | -81.2 | 0.8 | 114.8 | E8 M9 Y13 F17 D18 | E8-R11 VanDerWaalsContact O-CB 3.27Å; E8-R11 WeakPolarHBondContact O-CB 3.31Å; E8-R11 PolarHBondContact O-N 3.4Å; E8-R11 VanDerWaalsContact O-N 3.1Å; E8-R11 IonicContact OE1-CZ 3.87Å; E8-R11 IonicContact OE1-NE 3.89Å; E8-R11 IonicContact OE1-NH2 3.03Å; E8-R11 PolarHBondContact OE1-NH2 3.23Å; M9-R11 VanDerWaalsContact C-N 3.3Å; R11-Y13 VanDerWaalsContact C-N 3.3Å; R11-Y13 PolarHBondContact O-N 3.11Å; R11-F17 HydrophobicContact CB-CD1 3.97Å; R11-F17 HydrophobicContact CB-CD2 4.34Å; R11-F17 HydrophobicContact CB-CE1 4.03Å; R11-F17 HydrophobicContact CB-CE2 4.38Å; R11-F17 HydrophobicContact CB-CG 4.13Å; R11-F17 HydrophobicContact CB-CZ 4.23Å; R11-F17 HydrophobicContact CG-CD1 3.81Å; R11-F17 HydrophobicContact CG-CE1 4.19Å; R11-F17 HydrophobicContact CG-CG 4.18Å; R11-D18 IonicContact CZ-OD1 3.71Å; R11-D18 IonicContact NH1-OD1 2.6Å; R11-D18 PolarHBondContact NH1-OD1 2.96Å; R11-D18 IonicContact NH1-OD2 3.18Å; R11-D18 PolarHBondContact NH1-OD2 3.21Å |
| 12 | P | 93.9 | Very high | 88.5 | Confident | 106 Ų | 106 | 66.9 Ų | 66.9 | 69% | 0.688 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -16.8 | 178.2 | 28.5 | -35.4 | 0 | 0 | 0 | 114.5 | M9 L10 | M9-P12 WeakPolarHBondContact O-CD 3.37Å; L10-P12 VanDerWaalsContact C-CD 3.48Å |
| 13 | Y | 92.2 | Very high | 90.8 | Very high | 153 Ų | 153 | 66 Ų | 66 | 60% | 0.6 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -30.4 | -175.8 | -55.8 | -74.5 | 0 | 0 | 0 | 113 | L10 R11 | L10-Y13 WeakPolarHBondContact O-CA 3.38Å; L10-Y13 PolarHBondContact O-N 3Å; R11-Y13 VanDerWaalsContact C-N 3.3Å; R11-Y13 PolarHBondContact O-N 3.11Å |
| 14 | M | 94.7 | Very high | 92.6 | Very high | 8 Ų | 8 | 63.8 Ų | 63.8 | 4% | 0.039 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -87.5 | 118.5 | -178 | -75.1 | -178.1 | 66.3 | 0 | 0 | 111.3 | L10 D16 F17 I20 V21 F102 W103 T181 Q185 | L10-M14 HydrophobicContact CB-CG 3.98Å; L10-M14 HydrophobicContact CB-SD 3.61Å; L10-M14 HydrophobicContact CD1-SD 3.76Å; L10-M14 HydrophobicContact CG-SD 4.27Å; L10-M14 PolarHBondContact O-N 3.17Å; M14-D16 PolarHBondContact O-N 3.49Å; M14-F17 HydrophobicContact CB-CB 4.11Å; M14-F17 HydrophobicContact CB-CD2 3.86Å; M14-F17 HydrophobicContact CB-CG 4.49Å; M14-F17 HydrophobicContact CE-CD2 4.39Å; M14-F17 HydrophobicContact CG-CD2 4.36Å; M14-F17 PolarHBondContact O-N 3.46Å; M14-F17 HydrophobicContact SD-CD2 3.84Å; M14-F17 HydrophobicContact SD-CE2 4.14Å; M14-I20 HydrophobicContact CE-CD1 3.75Å; M14-I20 HydrophobicContact CE-CG1 4.19Å; M14-V21 HydrophobicContact CE-CG2 3.43Å; M14-V21 VanDerWaalsContact CE-CG2 3.43Å; M14-V21 HydrophobicContact SD-CG2 4.06Å; M14-F102 HydrophobicContact CG-CB 3.81Å; M14-F102 HydrophobicContact CG-CD2 3.7Å; M14-F102 HydrophobicContact CG-CG 4.03Å; M14-F102 HydrophobicContact SD-CB 3.99Å; M14-W103 HydrophobicContact CE-CB 4.09Å; M14-T181 HydrophobicContact CE-CG2 4.23Å; M14-Q185 HydrophobicContact CE-CB 4.49Å; M14-Q185 HydrophobicContact SD-CB 4.44Å |
| 15 | K | 92.9 | Very high | 94.1 | Very high | 131 Ų | 131 | 58.1 Ų | 58.1 | 57% | 0.57 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 132.8 | 170.9 | -172.3 | -177.5 | 173.2 | -179.4 | 0 | 110.2 | F17 | K15-F17 VanDerWaalsContact C-N 3.26Å; K15-F17 PolarHBondContact O-N 2.89Å |
| 16 | D | 95.7 | Very high | 94.7 | Very high | 73 Ų | 73 | 53 Ų | 53 | 39% | 0.39 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60 | 29.4 | 179.5 | -44 | -48.2 | 0 | 0 | 0 | 114.2 | M14 D18 S19 I20 G106 K107 | M14-D16 PolarHBondContact O-N 3.49Å; D16-D18 PolarHBondContact O-N 2.94Å; D16-S19 VanDerWaalsContact CB-OG 3.29Å; D16-S19 WeakPolarHBondContact CB-OG 3.25Å; D16-S19 WeakPolarHBondContact O-CB 3.33Å; D16-S19 PolarHBondContact O-N 3.35Å; D16-S19 PolarHBondContact O-OG 3.36Å; D16-I20 PolarHBondContact O-N 3.03Å; D16-G106 WeakPolarHBondContact OD2-CA 3.42Å; D16-K107 HydrophobicContact CB-CB 3.86Å; D16-K107 PolarHBondContact OD2-N 3.42Å |
| 17 | F | 96.7 | Very high | 94.7 | Very high | 7 Ų | 7 | 57.3 Ų | 57.3 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -43.4 | -52.9 | -173.3 | 179.7 | -92.3 | 0 | 0 | 0 | 114 | L10 R11 M14 K15 S19 I20 V21 Y26 | L10-F17 HydrophobicContact CB-CE2 4.11Å; R11-F17 HydrophobicContact CB-CD1 3.97Å; R11-F17 HydrophobicContact CB-CD2 4.34Å; R11-F17 HydrophobicContact CB-CE1 4.03Å; R11-F17 HydrophobicContact CB-CE2 4.38Å; R11-F17 HydrophobicContact CB-CG 4.13Å; R11-F17 HydrophobicContact CB-CZ 4.23Å; R11-F17 HydrophobicContact CG-CD1 3.81Å; R11-F17 HydrophobicContact CG-CE1 4.19Å; R11-F17 HydrophobicContact CG-CG 4.18Å; M14-F17 HydrophobicContact CB-CB 4.11Å; M14-F17 HydrophobicContact CB-CD2 3.86Å; M14-F17 HydrophobicContact CB-CG 4.49Å; M14-F17 HydrophobicContact CE-CD2 4.39Å; M14-F17 HydrophobicContact CG-CD2 4.36Å; M14-F17 PolarHBondContact O-N 3.46Å; M14-F17 HydrophobicContact SD-CD2 3.84Å; M14-F17 HydrophobicContact SD-CE2 4.14Å; K15-F17 VanDerWaalsContact C-N 3.26Å; K15-F17 PolarHBondContact O-N 2.89Å; F17-S19 PolarHBondContact O-N 3.27Å; F17-S19 VanDerWaalsContact O-N 3.12Å; F17-I20 PolarHBondContact O-N 3.38Å; F17-I20 VanDerWaalsContact O-N 3.13Å; F17-V21 HydrophobicContact CD1-CB 4.47Å; F17-V21 HydrophobicContact CD2-CB 4.06Å; F17-V21 HydrophobicContact CD2-CG2 3.43Å; F17-V21 VanDerWaalsContact CD2-CG2 3.43Å; F17-V21 HydrophobicContact CE1-CB 4.25Å; F17-V21 HydrophobicContact CE2-CB 3.84Å; F17-V21 HydrophobicContact CE2-CG1 3.98Å; F17-V21 HydrophobicContact CE2-CG2 3.51Å; F17-V21 HydrophobicContact CG-CB 4.4Å; F17-V21 HydrophobicContact CG-CG2 4.04Å; F17-V21 HydrophobicContact CZ-CB 3.94Å; F17-V21 HydrophobicContact CZ-CG1 3.93Å; F17-V21 HydrophobicContact CZ-CG2 4.14Å; F17-V21 PolarHBondContact O-N 3.47Å; F17-Y26 HydrophobicContact CE1-CD1 4.44Å; F17-Y26 AromaticContact CE1-CE1 3.48Å; F17-Y26 HydrophobicContact CE1-CE1 3.48Å; F17-Y26 VanDerWaalsContact CE1-CE1 3.48Å; F17-Y26 AromaticContact CE1-CZ 3.57Å; F17-Y26 WeakPolarHBondContact CE1-OH 3.49Å; F17-Y26 HydrophobicContact CZ-CD1 4.07Å; F17-Y26 AromaticContact CZ-CE1 3.44Å; F17-Y26 HydrophobicContact CZ-CE1 3.44Å; F17-Y26 VanDerWaalsContact CZ-CE1 3.44Å |
| 18 | D | 95.4 | Very high | 94.8 | Very high | 115 Ų | 115 | 59 Ų | 59 | 62% | 0.615 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -64.8 | -18 | -177 | -71.5 | -54.5 | 0 | 0 | 0 | 114.3 | R11 D16 | R11-D18 IonicContact CZ-OD1 3.71Å; R11-D18 IonicContact NH1-OD1 2.6Å; R11-D18 PolarHBondContact NH1-OD1 2.96Å; R11-D18 IonicContact NH1-OD2 3.18Å; R11-D18 PolarHBondContact NH1-OD2 3.21Å; D16-D18 PolarHBondContact O-N 2.94Å |
| 19 | S | 95.7 | Very high | 94.8 | Very high | 55 Ų | 55 | 61 Ų | 61 | 39% | 0.385 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -91.7 | -18.3 | 178 | 76.3 | 0 | 0 | 0 | 0 | 113.9 | D16 F17 | D16-S19 VanDerWaalsContact CB-OG 3.29Å; D16-S19 WeakPolarHBondContact CB-OG 3.25Å; D16-S19 WeakPolarHBondContact O-CB 3.33Å; D16-S19 PolarHBondContact O-N 3.35Å; D16-S19 PolarHBondContact O-OG 3.36Å; F17-S19 PolarHBondContact O-N 3.27Å; F17-S19 VanDerWaalsContact O-N 3.12Å |
| 20 | I | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -117.8 | -28.1 | -175.7 | 60.6 | -177.8 | 0 | 0 | 0 | 113.6 | M14 D16 F17 K107 C110 V180 T181 | M14-I20 HydrophobicContact CE-CD1 3.75Å; M14-I20 HydrophobicContact CE-CG1 4.19Å; D16-I20 PolarHBondContact O-N 3.03Å; F17-I20 PolarHBondContact O-N 3.38Å; F17-I20 VanDerWaalsContact O-N 3.13Å; I20-K107 HydrophobicContact CG2-CB 4.15Å; I20-K107 HydrophobicContact CG2-CD 3.37Å; I20-K107 HydrophobicContact CG2-CG 4.37Å; I20-C110 HydrophobicContact CG2-CB 3.94Å; I20-V180 CarbonylContact O-C 3.52Å; I20-V180 WeakPolarHBondContact O-CA 3.26Å; I20-V180 WeakPolarHBondContact O-CB 3.23Å; I20-T181 HydrophobicContact CB-CG2 4.24Å; I20-T181 HydrophobicContact CD1-CG2 4.07Å; I20-T181 HydrophobicContact CG1-CG2 4.25Å; I20-T181 PolarHBondContact O-N 2.96Å; I20-T181 PolarHBondContact O-OG1 3.18Å |
| 21 | V | 97.5 | Very high | 94.7 | Very high | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.012 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -100.6 | 112.8 | -177.9 | -169.7 | 0 | 0 | 0 | 0 | 110.2 | I7 M14 F17 W25 Y26 T181 | I7-V21 HydrophobicContact CG2-CG1 4.02Å; M14-V21 HydrophobicContact CE-CG2 3.43Å; M14-V21 VanDerWaalsContact CE-CG2 3.43Å; M14-V21 HydrophobicContact SD-CG2 4.06Å; F17-V21 HydrophobicContact CD1-CB 4.47Å; F17-V21 HydrophobicContact CD2-CB 4.06Å; F17-V21 HydrophobicContact CD2-CG2 3.43Å; F17-V21 VanDerWaalsContact CD2-CG2 3.43Å; F17-V21 HydrophobicContact CE1-CB 4.25Å; F17-V21 HydrophobicContact CE2-CB 3.84Å; F17-V21 HydrophobicContact CE2-CG1 3.98Å; F17-V21 HydrophobicContact CE2-CG2 3.51Å; F17-V21 HydrophobicContact CG-CB 4.4Å; F17-V21 HydrophobicContact CG-CG2 4.04Å; F17-V21 HydrophobicContact CZ-CB 3.94Å; F17-V21 HydrophobicContact CZ-CG1 3.93Å; F17-V21 HydrophobicContact CZ-CG2 4.14Å; F17-V21 PolarHBondContact O-N 3.47Å; V21-W25 HydrophobicContact CG1-CB 4.4Å; V21-Y26 HydrophobicContact CB-CE1 4.2Å; V21-Y26 HydrophobicContact CG1-CD1 4.17Å; V21-Y26 HydrophobicContact CG1-CE1 3.64Å; V21-Y26 PolarHBondContact O-OH 3.17Å; V21-T181 WeakPolarHBondContact CG2-OG1 3.33Å |
| 22 | L | 96.6 | Very high | 94.6 | Very high | 19 Ų | 19 | 59.4 Ų | 59.4 | 10% | 0.099 | 30% | 0.299 | C | S | . | . | trans | -65.4 | 138.7 | 175.1 | -62.4 | 177.5 | 0 | 0 | 0 | 111.6 | Y24 W25 V180 D191 I193 | L22-Y24 PolarHBondContact O-N 2.99Å; L22-W25 PolarHBondContact O-N 3.4Å; L22-V180 HydrophobicContact CD1-CG2 4.11Å; L22-V180 HydrophobicContact CD2-CG1 4.11Å; L22-V180 HydrophobicContact CG-CB 4.36Å; L22-V180 HydrophobicContact CG-CG1 4.3Å; L22-V180 HydrophobicContact CG-CG2 4.25Å; L22-D191 WeakPolarHBondContact CD1-OD1 3.35Å; L22-I193 HydrophobicContact CD1-CB 3.82Å; L22-I193 HydrophobicContact CD1-CG1 4.22Å; L22-I193 HydrophobicContact CD1-CG2 4.38Å | ||
| 23 | P | 95.3 | Very high | 94.5 | Very high | 92 Ų | 92 | 56.4 Ų | 56.4 | 60% | 0.597 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -54 | -27.5 | 176 | -28.8 | 35.6 | 0 | 0 | 0 | 114.6 | W25 Y26 | P23-W25 PolarHBondContact O-N 2.88Å; P23-W25 VanDerWaalsContact O-N 3.13Å; P23-Y26 HydrophobicContact CB-CD2 4.21Å; P23-Y26 HydrophobicContact CB-CE2 3.96Å; P23-Y26 HydrophobicContact CG-CE2 4.26Å; P23-Y26 WeakPolarHBondContact O-CB 3.32Å; P23-Y26 PolarHBondContact O-N 3.47Å |
| 24 | Y | 95.5 | Very high | 94.7 | Very high | 34 Ų | 34 | 57.6 Ų | 57.6 | 13% | 0.133 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -50.3 | -36.1 | 173.9 | 178 | -98 | 0 | 0 | 0 | 113.1 | L22 K27 F28 I193 A294 I297 | L22-Y24 PolarHBondContact O-N 2.99Å; Y24-K27 WeakPolarHBondContact O-CG 3.42Å; Y24-K27 PolarHBondContact OH-NZ 3.22Å; Y24-F28 HydrophobicContact CD1-CE2 4.31Å; Y24-F28 AromaticContact CE1-CE2 3.71Å; Y24-F28 HydrophobicContact CE1-CE2 3.71Å; Y24-F28 HydrophobicContact CE1-CZ 4.26Å; Y24-I193 HydrophobicContact CD1-CD1 4.11Å; Y24-I193 HydrophobicContact CD1-CG1 4.33Å; Y24-I193 HydrophobicContact CD1-CG2 4.32Å; Y24-I193 HydrophobicContact CD2-CG2 4.23Å; Y24-I193 HydrophobicContact CE1-CD1 4.11Å; Y24-I193 HydrophobicContact CG-CG2 3.89Å; Y24-A294 PolarHBondContact OH-O 3.11Å; Y24-I297 PolarHBondContact OH-O 2.97Å |
| 25 | W | 96.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.008 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -78.6 | -18.3 | -176.6 | -62.4 | 119.1 | 0 | 0 | 0 | 113.6 | I7 V21 L22 P23 K27 F28 Q185 Y192 I193 I297 P299 V302 | I7-W25 HydrophobicContact CD1-CB 4.04Å; I7-W25 HydrophobicContact CG2-CB 4.26Å; V21-W25 HydrophobicContact CG1-CB 4.4Å; L22-W25 PolarHBondContact O-N 3.4Å; P23-W25 PolarHBondContact O-N 2.88Å; P23-W25 VanDerWaalsContact O-N 3.13Å; W25-K27 PolarHBondContact O-N 3.38Å; W25-K27 VanDerWaalsContact O-N 3.14Å; W25-F28 AromaticContact CE3-CD2 3.87Å; W25-F28 HydrophobicContact CE3-CD2 3.87Å; W25-F28 AromaticContact CE3-CE2 3.91Å; W25-F28 HydrophobicContact CE3-CE2 3.91Å; W25-F28 HydrophobicContact CZ3-CD2 4.44Å; W25-F28 HydrophobicContact CZ3-CE2 4.16Å; W25-F28 PolarHBondContact O-N 2.66Å; W25-F28 VanDerWaalsContact O-N 3.11Å; W25-Q185 VanDerWaalsContact CG-NE2 3.35Å; W25-Y192 HydrophobicContact CZ2-CE2 4.32Å; W25-I193 HydrophobicContact CZ2-CG1 4.4Å; W25-I297 HydrophobicContact CH2-CG2 4.15Å; W25-P299 HydrophobicContact CE3-CG 4.19Å; W25-P299 HydrophobicContact CZ3-CG 4.14Å; W25-V302 HydrophobicContact CH2-CG2 3.92Å |
| 26 | Y | 94.6 | Very high | 94.8 | Very high | 37 Ų | 37 | 58.6 Ų | 58.6 | 15% | 0.145 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -62.7 | -27 | -172.3 | -61.6 | -6.5 | 0 | 0 | 0 | 113.2 | T6 E8 F17 V21 P23 F28 | T6-Y26 WeakPolarHBondContact CB-O 3.26Å; E8-Y26 HydrophobicContact CB-CG 4.23Å; F17-Y26 HydrophobicContact CE1-CD1 4.44Å; F17-Y26 AromaticContact CE1-CE1 3.48Å; F17-Y26 HydrophobicContact CE1-CE1 3.48Å; F17-Y26 VanDerWaalsContact CE1-CE1 3.48Å; F17-Y26 AromaticContact CE1-CZ 3.57Å; F17-Y26 WeakPolarHBondContact CE1-OH 3.49Å; F17-Y26 HydrophobicContact CZ-CD1 4.07Å; F17-Y26 AromaticContact CZ-CE1 3.44Å; F17-Y26 HydrophobicContact CZ-CE1 3.44Å; F17-Y26 VanDerWaalsContact CZ-CE1 3.44Å; V21-Y26 HydrophobicContact CB-CE1 4.2Å; V21-Y26 HydrophobicContact CG1-CD1 4.17Å; V21-Y26 HydrophobicContact CG1-CE1 3.64Å; V21-Y26 PolarHBondContact O-OH 3.17Å; P23-Y26 HydrophobicContact CB-CD2 4.21Å; P23-Y26 HydrophobicContact CB-CE2 3.96Å; P23-Y26 HydrophobicContact CG-CE2 4.26Å; P23-Y26 WeakPolarHBondContact O-CB 3.32Å; P23-Y26 PolarHBondContact O-N 3.47Å; Y26-F28 PolarHBondContact O-N 2.94Å |
| 27 | K | 91.8 | Very high | 94.9 | Very high | 116 Ų | 116 | 59.6 Ų | 59.6 | 50% | 0.504 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -70.7 | -15.9 | 179.5 | 69.8 | -172.9 | 177.2 | 177.5 | 0 | 114.2 | Y24 W25 | Y24-K27 WeakPolarHBondContact O-CG 3.42Å; Y24-K27 PolarHBondContact OH-NZ 3.22Å; W25-K27 PolarHBondContact O-N 3.38Å; W25-K27 VanDerWaalsContact O-N 3.14Å |
| 28 | F | 95.1 | Very high | 94.9 | Very high | 37 Ų | 37 | 62 Ų | 62 | 16% | 0.162 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -95.5 | 146.6 | -176.3 | -60.7 | -78.1 | 0 | 0 | 0 | 112 | T6 I7 Y24 W25 Y26 I297 T298 P299 | T6-F28 CarbonylContact C-O 3.59Å; T6-F28 VanDerWaalsContact CA-O 3.31Å; T6-F28 WeakPolarHBondContact CA-O 3.17Å; I7-F28 HydrophobicContact CD1-CB 4.24Å; I7-F28 PolarHBondContact N-O 3.09Å; Y24-F28 HydrophobicContact CD1-CE2 4.31Å; Y24-F28 AromaticContact CE1-CE2 3.71Å; Y24-F28 HydrophobicContact CE1-CE2 3.71Å; Y24-F28 HydrophobicContact CE1-CZ 4.26Å; W25-F28 AromaticContact CE3-CD2 3.87Å; W25-F28 HydrophobicContact CE3-CD2 3.87Å; W25-F28 AromaticContact CE3-CE2 3.91Å; W25-F28 HydrophobicContact CE3-CE2 3.91Å; W25-F28 HydrophobicContact CZ3-CD2 4.44Å; W25-F28 HydrophobicContact CZ3-CE2 4.16Å; W25-F28 PolarHBondContact O-N 2.66Å; W25-F28 VanDerWaalsContact O-N 3.11Å; Y26-F28 PolarHBondContact O-N 2.94Å; F28-I297 WeakPolarHBondContact CZ-O 3.44Å; F28-T298 HydrophobicContact CE1-CG2 4.25Å; F28-P299 HydrophobicContact CB-CG 3.73Å; F28-P299 VanDerWaalsContact CD1-CD 3.48Å; F28-P299 HydrophobicContact CD1-CG 4.07Å; F28-P299 HydrophobicContact CD2-CG 3.99Å; F28-P299 HydrophobicContact CG-CG 3.67Å |
| 29 | E | 93.6 | Very high | 95 | Very high | 129 Ų | 129 | 57.5 Ų | 57.5 | 60% | 0.603 | 28% | 0.281 | S | S | * | . | B | Isolated β-bridge | trans | -74.6 | 147.9 | 170.9 | -63.2 | -174 | 170.4 | 0 | 0 | 111.5 | R5 | R5-E29 CarbonylContact O-C 3.45Å; R5-E29 WeakPolarHBondContact O-CA 3.48Å |
| 30 | Q | 91.9 | Very high | 95.1 | Very high | 39 Ų | 39 | 54.9 Ų | 54.9 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 141.7 | 167.8 | -73 | -173.2 | 39.5 | 0 | 0 | 110.3 | R5 I7 M9 | R5-Q30 PolarHBondContact O-N 2.93Å; I7-Q30 HydrophobicContact CG1-CG 4.37Å; M9-Q30 PolarHBondContact SD-NE2 3.38Å |
| 31 | P | 92 | Very high | 95.1 | Very high | 18 Ų | 18 | 60.2 Ų | 60.2 | 12% | 0.117 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 158.2 | 173.4 | 31.4 | -37.3 | 0 | 0 | 0 | 110.3 | Q36 Y184 | P31-Q36 HydrophobicContact CG-CG 3.64Å; P31-Y184 HydrophobicContact CB-CD1 4.13Å; P31-Y184 HydrophobicContact CB-CD2 4.46Å; P31-Y184 HydrophobicContact CB-CE1 3.82Å; P31-Y184 HydrophobicContact CB-CE2 4.2Å; P31-Y184 HydrophobicContact CB-CG 4.44Å; P31-Y184 HydrophobicContact CG-CD1 3.61Å; P31-Y184 HydrophobicContact CG-CD2 3.96Å; P31-Y184 HydrophobicContact CG-CE1 3.86Å; P31-Y184 HydrophobicContact CG-CE2 4.21Å; P31-Y184 HydrophobicContact CG-CG 3.68Å |
| 32 | N | 92 | Very high | 95.1 | Very high | 75 Ų | 75 | 64.3 Ų | 64.3 | 40% | 0.401 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 131.8 | 170.1 | -177.9 | -36.7 | 0 | 0 | 0 | 109.6 | Y34 Y35 | N32-Y34 PolarHBondContact O-N 3.4Å; N32-Y34 WeakPolarHBondContact OD1-CD2 3.28Å; N32-Y34 PolarHBondContact OD1-N 2.91Å; N32-Y35 HydrophobicContact CB-CD2 3.67Å; N32-Y35 HydrophobicContact CB-CE2 3.92Å; N32-Y35 WeakPolarHBondContact O-CB 3.26Å; N32-Y35 PolarHBondContact O-N 3.23Å |
| 33 | P | 93.1 | Very high | 95.2 | Very high | 43 Ų | 43 | 63.4 Ų | 63.4 | 28% | 0.279 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -50.9 | -32 | -179.1 | -30.3 | 35.5 | 0 | 0 | 0 | 114.9 | Y35 Q36 Y37 N101 | P33-Y35 VanDerWaalsContact C-N 3.27Å; P33-Y35 PolarHBondContact O-N 3.04Å; P33-Q36 WeakPolarHBondContact O-CB 3.42Å; P33-Q36 PolarHBondContact O-N 3.06Å; P33-Q36 VanDerWaalsContact O-N 3.08Å; P33-Y37 HydrophobicContact CB-CE1 4.46Å; P33-Y37 HydrophobicContact CB-CE2 4.08Å; P33-Y37 WeakPolarHBondContact O-CD1 3.35Å; P33-Y37 WeakPolarHBondContact O-CD2 3.32Å; P33-Y37 PolarHBondContact O-N 2.82Å; P33-N101 WeakPolarHBondContact CA-OD1 3.43Å |
| 34 | Y | 95.3 | Very high | 95.3 | Very high | 177 Ų | 177 | 59.7 Ų | 59.7 | 69% | 0.694 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -60.7 | -34.7 | 176.6 | -61.9 | -62.9 | 0 | 0 | 0 | 113 | N32 Y37 A38 | N32-Y34 PolarHBondContact O-N 3.4Å; N32-Y34 WeakPolarHBondContact OD1-CD2 3.28Å; N32-Y34 PolarHBondContact OD1-N 2.91Å; Y34-Y37 HydrophobicContact CD1-CD2 4.26Å; Y34-Y37 PolarHBondContact O-N 3.11Å; Y34-A38 PolarHBondContact O-N 3.18Å |
| 35 | Y | 94.8 | Very high | 95.4 | Very high | 159 Ų | 159 | 62 Ų | 62 | 62% | 0.624 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -67 | -41.4 | 173.9 | -67.6 | -68.5 | 0 | 0 | 0 | 111.3 | N32 P33 Y37 A38 I39 | N32-Y35 HydrophobicContact CB-CD2 3.67Å; N32-Y35 HydrophobicContact CB-CE2 3.92Å; N32-Y35 WeakPolarHBondContact O-CB 3.26Å; N32-Y35 PolarHBondContact O-N 3.23Å; P33-Y35 VanDerWaalsContact C-N 3.27Å; P33-Y35 PolarHBondContact O-N 3.04Å; Y35-Y37 VanDerWaalsContact C-N 3.34Å; Y35-A38 PolarHBondContact O-N 3Å; Y35-I39 VanDerWaalsContact O-CG1 3.31Å; Y35-I39 WeakPolarHBondContact O-CG1 3.27Å; Y35-I39 PolarHBondContact O-N 3.37Å |
| 36 | Q | 95.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.1 | -39.2 | 177.2 | -68.7 | -84.8 | 28.6 | 0 | 0 | 111.5 | P31 P33 A38 I39 G40 A98 N101 Y184 | P31-Q36 HydrophobicContact CG-CG 3.64Å; P33-Q36 WeakPolarHBondContact O-CB 3.42Å; P33-Q36 PolarHBondContact O-N 3.06Å; P33-Q36 VanDerWaalsContact O-N 3.08Å; Q36-A38 PolarHBondContact O-N 3.14Å; Q36-I39 PolarHBondContact O-N 3.32Å; Q36-G40 PolarHBondContact O-N 3.42Å; Q36-A98 WeakPolarHBondContact CB-O 3.49Å; Q36-A98 WeakPolarHBondContact O-CB 3.21Å; Q36-N101 WeakPolarHBondContact CB-OD1 3.48Å; Q36-N101 WeakPolarHBondContact CG-OD1 3.48Å; Q36-Y184 VanDerWaalsContact NE2-CB 3.32Å; Q36-Y184 PolarHBondContact NE2-O 2.69Å |
| 37 | Y | 97.4 | Very high | 95.6 | Very high | 95 Ų | 95 | 60.7 Ų | 60.7 | 37% | 0.373 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 173.9 | -58.4 | -21.7 | 0 | 0 | 0 | 112.1 | P33 Y34 Y35 G40 L41 F99 | P33-Y37 HydrophobicContact CB-CE1 4.46Å; P33-Y37 HydrophobicContact CB-CE2 4.08Å; P33-Y37 WeakPolarHBondContact O-CD1 3.35Å; P33-Y37 WeakPolarHBondContact O-CD2 3.32Å; P33-Y37 PolarHBondContact O-N 2.82Å; Y34-Y37 HydrophobicContact CD1-CD2 4.26Å; Y34-Y37 PolarHBondContact O-N 3.11Å; Y35-Y37 VanDerWaalsContact C-N 3.34Å; Y37-G40 PolarHBondContact O-N 3.33Å; Y37-L41 PolarHBondContact O-N 3.49Å; Y37-F99 AromaticContact CD1-CD1 3.77Å; Y37-F99 HydrophobicContact CD1-CD1 3.77Å; Y37-F99 HydrophobicContact CD1-CE1 4.4Å; Y37-F99 HydrophobicContact CE1-CD1 4.47Å; Y37-F99 WeakPolarHBondContact CE1-O 3.34Å; Y37-F99 HydrophobicContact CG-CD1 4.35Å |
| 38 | A | 97.5 | Very high | 95.9 | Very high | 58 Ų | 58 | 58.9 Ų | 58.9 | 48% | 0.479 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y34 Y35 Q36 L41 F42 | Y34-A38 PolarHBondContact O-N 3.18Å; Y35-A38 PolarHBondContact O-N 3Å; Q36-A38 PolarHBondContact O-N 3.14Å; A38-L41 PolarHBondContact O-N 3.2Å; A38-F42 WeakPolarHBondContact O-CB 3.32Å; A38-F42 PolarHBondContact O-N 3.32Å |
| 39 | I | 96.8 | Very high | 96 | Very high | 19 Ų | 19 | 59.6 Ų | 59.6 | 10% | 0.097 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 173.7 | -70 | 168.7 | 0 | 0 | 0 | 110.8 | Y35 Q36 L41 F42 I43 A98 Y184 E303 L307 | Y35-I39 VanDerWaalsContact O-CG1 3.31Å; Y35-I39 WeakPolarHBondContact O-CG1 3.27Å; Y35-I39 PolarHBondContact O-N 3.37Å; Q36-I39 PolarHBondContact O-N 3.32Å; I39-L41 PolarHBondContact O-N 2.9Å; I39-F42 PolarHBondContact O-N 3.47Å; I39-I43 WeakPolarHBondContact O-CB 3.38Å; I39-I43 VanDerWaalsContact O-CG2 3.27Å; I39-I43 WeakPolarHBondContact O-CG2 3.38Å; I39-I43 PolarHBondContact O-N 3.39Å; I39-A98 HydrophobicContact CG2-CB 4.32Å; I39-Y184 HydrophobicContact CD1-CD2 4.11Å; I39-Y184 HydrophobicContact CD1-CE2 4.17Å; I39-E303 HydrophobicContact CD1-CG 3.8Å; I39-L307 HydrophobicContact CD1-CD1 4.34Å; I39-L307 HydrophobicContact CG1-CD1 3.95Å; I39-L307 HydrophobicContact CG2-CD1 4.27Å; I39-L307 HydrophobicContact CG2-CD2 3.88Å |
| 40 | G | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.7 | -46 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q36 Y37 I43 A44 | Q36-G40 PolarHBondContact O-N 3.42Å; Y37-G40 PolarHBondContact O-N 3.33Å; G40-I43 WeakPolarHBondContact O-CG2 3.4Å; G40-A44 VanDerWaalsContact O-CB 3.27Å; G40-A44 WeakPolarHBondContact O-CB 3.35Å; G40-A44 PolarHBondContact O-N 3.27Å |
| 41 | L | 97.8 | Very high | 96.5 | Very high | 113 Ų | 113 | 54.1 Ų | 54.1 | 59% | 0.592 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -64.3 | -46.2 | 175.2 | -178.9 | 61.9 | 0 | 0 | 0 | 111.8 | Y37 A38 I39 I43 A44 V45 | Y37-L41 PolarHBondContact O-N 3.49Å; A38-L41 PolarHBondContact O-N 3.2Å; I39-L41 PolarHBondContact O-N 2.9Å; L41-I43 PolarHBondContact O-N 2.8Å; L41-A44 WeakPolarHBondContact O-CB 3.39Å; L41-A44 PolarHBondContact O-N 3.04Å; L41-V45 WeakPolarHBondContact O-CG2 3.43Å; L41-V45 PolarHBondContact O-N 2.92Å |
| 42 | F | 97.9 | Very high | 96.8 | Very high | 87 Ų | 87 | 57 Ų | 57 | 38% | 0.382 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.7 | -49.5 | 178.5 | 172.6 | -100.1 | 0 | 0 | 0 | 111.6 | A38 I39 A44 V45 V46 L307 T311 | A38-F42 WeakPolarHBondContact O-CB 3.32Å; A38-F42 PolarHBondContact O-N 3.32Å; I39-F42 PolarHBondContact O-N 3.47Å; F42-A44 VanDerWaalsContact C-N 3.32Å; F42-A44 PolarHBondContact O-N 2.95Å; F42-V45 PolarHBondContact O-N 3.17Å; F42-V46 HydrophobicContact CD1-CG2 4.29Å; F42-V46 HydrophobicContact CD2-CG2 4.41Å; F42-V46 HydrophobicContact CE1-CG2 3.87Å; F42-V46 HydrophobicContact CE2-CG2 4Å; F42-V46 HydrophobicContact CZ-CG2 3.73Å; F42-V46 WeakPolarHBondContact O-CG2 3.4Å; F42-V46 PolarHBondContact O-N 3.34Å; F42-L307 HydrophobicContact CD1-CD2 4.25Å; F42-L307 HydrophobicContact CE1-CB 4.12Å; F42-L307 HydrophobicContact CE1-CD2 4.41Å; F42-T311 HydrophobicContact CE1-CG2 4.28Å; F42-T311 HydrophobicContact CZ-CG2 3.7Å |
| 43 | I | 97.5 | Very high | 97 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.6 | -27.9 | -177.8 | -162.6 | 58.3 | 0 | 0 | 0 | 112.4 | I39 G40 L41 V46 G47 K94 K310 | I39-I43 WeakPolarHBondContact O-CB 3.38Å; I39-I43 VanDerWaalsContact O-CG2 3.27Å; I39-I43 WeakPolarHBondContact O-CG2 3.38Å; I39-I43 PolarHBondContact O-N 3.39Å; G40-I43 WeakPolarHBondContact O-CG2 3.4Å; L41-I43 PolarHBondContact O-N 2.8Å; I43-V46 HydrophobicContact CD1-CB 4.23Å; I43-V46 HydrophobicContact CD1-CG1 4Å; I43-V46 PolarHBondContact O-N 3.1Å; I43-G47 PolarHBondContact O-N 3.33Å; I43-K94 HydrophobicContact CG1-CB 4.42Å; I43-K94 HydrophobicContact CG1-CG 3.94Å; I43-K94 HydrophobicContact CG2-CG 4.07Å; I43-K310 HydrophobicContact CD1-CB 3.93Å; I43-K310 HydrophobicContact CD1-CD 3.54Å; I43-K310 HydrophobicContact CD1-CG 4.33Å; I43-K310 HydrophobicContact CG1-CD 4.36Å |
| 44 | A | 97.9 | Very high | 97.2 | Very high | 13 Ų | 13 | 53.8 Ų | 53.8 | 11% | 0.107 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.2 | -49.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | G40 L41 F42 V46 G47 I48 F91 T95 | G40-A44 VanDerWaalsContact O-CB 3.27Å; G40-A44 WeakPolarHBondContact O-CB 3.35Å; G40-A44 PolarHBondContact O-N 3.27Å; L41-A44 WeakPolarHBondContact O-CB 3.39Å; L41-A44 PolarHBondContact O-N 3.04Å; F42-A44 VanDerWaalsContact C-N 3.32Å; F42-A44 PolarHBondContact O-N 2.95Å; A44-V46 VanDerWaalsContact C-N 3.33Å; A44-V46 PolarHBondContact O-N 2.92Å; A44-G47 PolarHBondContact O-N 3.38Å; A44-I48 WeakPolarHBondContact O-CB 3.27Å; A44-I48 VanDerWaalsContact O-CG1 3.23Å; A44-I48 WeakPolarHBondContact O-CG1 3.49Å; A44-I48 PolarHBondContact O-N 2.82Å; A44-F91 HydrophobicContact CB-CD2 4.43Å; A44-T95 HydrophobicContact CB-CG2 3.73Å |
| 45 | V | 97.7 | Very high | 97.3 | Very high | 83 Ų | 83 | 49.4 Ų | 49.4 | 50% | 0.503 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.2 | -46 | 176.8 | 172.6 | 0 | 0 | 0 | 0 | 110.3 | L41 F42 T49 | L41-V45 WeakPolarHBondContact O-CG2 3.43Å; L41-V45 PolarHBondContact O-N 2.92Å; F42-V45 PolarHBondContact O-N 3.17Å; V45-T49 WeakPolarHBondContact O-CB 3.31Å; V45-T49 PolarHBondContact O-N 3.41Å; V45-T49 PolarHBondContact O-OG1 3.2Å |
| 46 | V | 97.6 | Very high | 97.4 | Very high | 10 Ų | 10 | 43.9 Ų | 43.9 | 6% | 0.061 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.7 | -50.3 | 179.6 | 162.6 | 0 | 0 | 0 | 0 | 111.3 | F42 I43 A44 G50 T311 I314 | F42-V46 HydrophobicContact CD1-CG2 4.29Å; F42-V46 HydrophobicContact CD2-CG2 4.41Å; F42-V46 HydrophobicContact CE1-CG2 3.87Å; F42-V46 HydrophobicContact CE2-CG2 4Å; F42-V46 HydrophobicContact CZ-CG2 3.73Å; F42-V46 WeakPolarHBondContact O-CG2 3.4Å; F42-V46 PolarHBondContact O-N 3.34Å; I43-V46 HydrophobicContact CD1-CB 4.23Å; I43-V46 HydrophobicContact CD1-CG1 4Å; I43-V46 PolarHBondContact O-N 3.1Å; A44-V46 VanDerWaalsContact C-N 3.33Å; A44-V46 PolarHBondContact O-N 2.92Å; V46-G50 PolarHBondContact O-N 2.91Å; V46-T311 HydrophobicContact CG2-CG2 4.23Å; V46-I314 HydrophobicContact CB-CD1 3.86Å; V46-I314 HydrophobicContact CG1-CD1 3.7Å; V46-I314 HydrophobicContact CG1-CG1 4.46Å; V46-I314 HydrophobicContact CG2-CD1 3.91Å; V46-I314 WeakPolarHBondContact O-CD1 3.41Å |
| 47 | G | 97.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.8 | -50.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I43 A44 T49 G50 M51 | I43-G47 PolarHBondContact O-N 3.33Å; A44-G47 PolarHBondContact O-N 3.38Å; G47-T49 PolarHBondContact O-N 3.39Å; G47-G50 PolarHBondContact O-N 3.49Å; G47-M51 WeakPolarHBondContact O-CB 3.29Å; G47-M51 VanDerWaalsContact O-CG 3.28Å; G47-M51 WeakPolarHBondContact O-CG 3.42Å; G47-M51 PolarHBondContact O-N 2.82Å |
| 48 | I | 97.9 | Very high | 97.5 | Very high | 79 Ų | 79 | 40.8 Ų | 40.8 | 41% | 0.405 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.9 | -45.8 | 179.9 | -65.8 | 167.5 | 0 | 0 | 0 | 110.2 | A44 M51 C52 F91 | A44-I48 WeakPolarHBondContact O-CB 3.27Å; A44-I48 VanDerWaalsContact O-CG1 3.23Å; A44-I48 WeakPolarHBondContact O-CG1 3.49Å; A44-I48 PolarHBondContact O-N 2.82Å; I48-M51 PolarHBondContact O-N 3.26Å; I48-C52 WeakPolarHBondContact O-CB 3.38Å; I48-C52 PolarHBondContact O-N 3.03Å; I48-C52 PolarHBondContact O-SG 3.24Å; I48-F91 HydrophobicContact CD1-CG 4.47Å; I48-F91 HydrophobicContact CG1-CB 4.19Å; I48-F91 HydrophobicContact CG1-CD1 4.47Å; I48-F91 HydrophobicContact CG1-CG 4.24Å |
| 49 | T | 97.5 | Very high | 97.5 | Very high | 51 Ų | 51 | 40.9 Ų | 40.9 | 31% | 0.313 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.2 | -46.4 | 177.9 | -57.6 | 0 | 0 | 0 | 0 | 111.1 | V45 G47 M51 C52 L53 I314 | V45-T49 WeakPolarHBondContact O-CB 3.31Å; V45-T49 PolarHBondContact O-N 3.41Å; V45-T49 PolarHBondContact O-OG1 3.2Å; G47-T49 PolarHBondContact O-N 3.39Å; T49-M51 PolarHBondContact O-N 3.38Å; T49-C52 PolarHBondContact O-N 3.37Å; T49-L53 HydrophobicContact CG2-CD1 3.56Å; T49-L53 HydrophobicContact CG2-CG 3.96Å; T49-L53 VanDerWaalsContact O-CB 3.28Å; T49-L53 WeakPolarHBondContact O-CB 3.11Å; T49-L53 VanDerWaalsContact O-CG 3.25Å; T49-L53 WeakPolarHBondContact O-CG 3.28Å; T49-L53 PolarHBondContact O-N 3.23Å; T49-I314 HydrophobicContact CG2-CG2 4.02Å |
| 50 | G | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.6 | -43.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V46 G47 N54 S86 | V46-G50 PolarHBondContact O-N 2.91Å; G47-G50 PolarHBondContact O-N 3.49Å; G50-N54 VanDerWaalsContact O-CB 3.28Å; G50-N54 WeakPolarHBondContact O-CB 3.49Å; G50-N54 PolarHBondContact O-N 3.06Å; G50-N54 PolarHBondContact O-ND2 2.91Å; G50-S86 WeakPolarHBondContact CA-OG 3.44Å |
| 51 | M | 98 | Very high | 97.2 | Very high | 53 Ų | 53 | 40.6 Ų | 40.6 | 26% | 0.261 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62 | -52.8 | 174.7 | -72.2 | 173.5 | 66 | 0 | 0 | 111.7 | G47 I48 T49 L53 L55 F83 A87 | G47-M51 WeakPolarHBondContact O-CB 3.29Å; G47-M51 VanDerWaalsContact O-CG 3.28Å; G47-M51 WeakPolarHBondContact O-CG 3.42Å; G47-M51 PolarHBondContact O-N 2.82Å; I48-M51 PolarHBondContact O-N 3.26Å; T49-M51 PolarHBondContact O-N 3.38Å; M51-L53 PolarHBondContact O-N 3.01Å; M51-L55 WeakPolarHBondContact O-CB 3.41Å; M51-L55 PolarHBondContact O-N 3.16Å; M51-F83 HydrophobicContact CB-CD2 4.27Å; M51-F83 HydrophobicContact CB-CE2 4.08Å; M51-F83 HydrophobicContact CE-CE2 4.46Å; M51-F83 HydrophobicContact CE-CZ 4.42Å; M51-F83 HydrophobicContact CG-CE2 4.39Å; M51-F83 WeakPolarHBondContact O-CD2 3.43Å; M51-A87 HydrophobicContact CE-CB 4.19Å; M51-A87 HydrophobicContact CG-CB 4.12Å; M51-A87 HydrophobicContact SD-CB 4.03Å |
| 52 | C | 97.5 | Very high | 97.1 | Very high | 79 Ų | 79 | 38.5 Ų | 38.5 | 53% | 0.534 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.8 | -46.5 | -177.1 | -70 | 0 | 0 | 0 | 0 | 112.1 | I48 T49 L56 | I48-C52 WeakPolarHBondContact O-CB 3.38Å; I48-C52 PolarHBondContact O-N 3.03Å; I48-C52 PolarHBondContact O-SG 3.24Å; T49-C52 PolarHBondContact O-N 3.37Å; C52-L56 WeakPolarHBondContact O-CB 3.48Å; C52-L56 PolarHBondContact O-N 3.08Å |
| 53 | L | 97.1 | Very high | 96.9 | Very high | 50 Ų | 50 | 38.3 Ų | 38.3 | 26% | 0.262 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -70.2 | -40.1 | -176.9 | -68.3 | -176.3 | 0 | 0 | 0 | 112.5 | T49 M51 L56 V57 I314 P317 | T49-L53 HydrophobicContact CG2-CD1 3.56Å; T49-L53 HydrophobicContact CG2-CG 3.96Å; T49-L53 VanDerWaalsContact O-CB 3.28Å; T49-L53 WeakPolarHBondContact O-CB 3.11Å; T49-L53 VanDerWaalsContact O-CG 3.25Å; T49-L53 WeakPolarHBondContact O-CG 3.28Å; T49-L53 PolarHBondContact O-N 3.23Å; M51-L53 PolarHBondContact O-N 3.01Å; L53-L56 WeakPolarHBondContact O-CB 3.04Å; L53-L56 PolarHBondContact O-N 2.74Å; L53-V57 WeakPolarHBondContact O-CG2 3.46Å; L53-V57 PolarHBondContact O-N 3.33Å; L53-V57 VanDerWaalsContact O-N 3.09Å; L53-I314 HydrophobicContact CD1-CG2 4.07Å; L53-P317 HydrophobicContact CB-CB 3.56Å; L53-P317 HydrophobicContact CB-CG 3.62Å; L53-P317 HydrophobicContact CD1-CB 4.28Å; L53-P317 HydrophobicContact CG-CB 4.43Å |
| 54 | N | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -72.1 | -37.1 | 177.1 | -75.7 | -66.3 | 0 | 0 | 0 | 112 | G50 L56 V57 I58 A79 D82 F83 A313 P317 | G50-N54 VanDerWaalsContact O-CB 3.28Å; G50-N54 WeakPolarHBondContact O-CB 3.49Å; G50-N54 PolarHBondContact O-N 3.06Å; G50-N54 PolarHBondContact O-ND2 2.91Å; N54-L56 VanDerWaalsContact C-N 3.26Å; N54-L56 PolarHBondContact O-N 3Å; N54-V57 PolarHBondContact O-N 3.21Å; N54-I58 VanDerWaalsContact O-CG1 3.28Å; N54-I58 WeakPolarHBondContact O-CG1 3.1Å; N54-I58 PolarHBondContact O-N 3.48Å; N54-A79 HydrophobicContact CB-CB 4.41Å; N54-A79 WeakPolarHBondContact CB-O 3.46Å; N54-D82 WeakPolarHBondContact ND2-CB 3.27Å; N54-F83 HydrophobicContact CB-CB 3.89Å; N54-A313 PolarHBondContact ND2-O 3.07Å; N54-P317 HydrophobicContact CB-CG 4.45Å; N54-P317 WeakPolarHBondContact OD1-CD 3.23Å; N54-P317 VanDerWaalsContact OD1-CG 3.3Å; N54-P317 WeakPolarHBondContact OD1-CG 3.22Å |
| 55 | L | 97.6 | Very high | 96.3 | Very high | 86 Ų | 86 | 47.9 Ų | 47.9 | 45% | 0.45 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.8 | -41.5 | 171.5 | -177.9 | 61.5 | 0 | 0 | 0 | 111.1 | M51 V57 I58 V59 F83 | M51-L55 WeakPolarHBondContact O-CB 3.41Å; M51-L55 PolarHBondContact O-N 3.16Å; L55-V57 PolarHBondContact O-N 2.88Å; L55-I58 PolarHBondContact O-N 3.28Å; L55-V59 HydrophobicContact CD1-CG2 4.24Å; L55-V59 HydrophobicContact CG-CG2 4.41Å; L55-V59 WeakPolarHBondContact O-CB 3.21Å; L55-V59 VanDerWaalsContact O-CG2 3.31Å; L55-V59 WeakPolarHBondContact O-CG2 3.44Å; L55-V59 PolarHBondContact O-N 2.86Å; L55-F83 HydrophobicContact CB-CD2 4.06Å; L55-F83 HydrophobicContact CB-CE2 4.02Å |
| 56 | L | 96.4 | Very high | 95.7 | Very high | 42 Ų | 42 | 46.8 Ų | 46.8 | 22% | 0.22 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 175.9 | -177.2 | 66.9 | 0 | 0 | 0 | 112.2 | C52 L53 N54 F60 L331 F335 | C52-L56 WeakPolarHBondContact O-CB 3.48Å; C52-L56 PolarHBondContact O-N 3.08Å; L53-L56 WeakPolarHBondContact O-CB 3.04Å; L53-L56 PolarHBondContact O-N 2.74Å; N54-L56 VanDerWaalsContact C-N 3.26Å; N54-L56 PolarHBondContact O-N 3Å; L56-F60 HydrophobicContact CD1-CD2 3.62Å; L56-F60 HydrophobicContact CD1-CE2 3.26Å; L56-F60 HydrophobicContact CD1-CZ 3.96Å; L56-F60 HydrophobicContact CG-CD2 4.27Å; L56-F60 HydrophobicContact CG-CE2 4.3Å; L56-F60 WeakPolarHBondContact O-CB 3.33Å; L56-F60 VanDerWaalsContact O-CD2 3.26Å; L56-F60 WeakPolarHBondContact O-CD2 3.3Å; L56-F60 PolarHBondContact O-N 2.81Å; L56-L331 HydrophobicContact CD1-CD2 4.19Å; L56-L331 HydrophobicContact CD2-CD2 3.62Å; L56-L331 HydrophobicContact CG-CD2 4.04Å; L56-F335 HydrophobicContact CD1-CE2 3.78Å; L56-F335 HydrophobicContact CD1-CZ 4.17Å |
| 57 | V | 96.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.1 | -49.2 | 174.7 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | L53 N54 L55 V59 F60 F61 V75 A79 P317 Y320 F327 | L53-V57 WeakPolarHBondContact O-CG2 3.46Å; L53-V57 PolarHBondContact O-N 3.33Å; L53-V57 VanDerWaalsContact O-N 3.09Å; N54-V57 PolarHBondContact O-N 3.21Å; L55-V57 PolarHBondContact O-N 2.88Å; V57-V59 PolarHBondContact O-N 3.19Å; V57-F60 PolarHBondContact O-N 3.08Å; V57-F61 HydrophobicContact CG1-CD2 3.89Å; V57-F61 HydrophobicContact CG1-CE2 3.99Å; V57-F61 HydrophobicContact CG1-CG 4.4Å; V57-F61 WeakPolarHBondContact O-CB 3.23Å; V57-F61 VanDerWaalsContact O-CD2 3.23Å; V57-F61 WeakPolarHBondContact O-CD2 3.29Å; V57-F61 PolarHBondContact O-N 3.43Å; V57-V75 HydrophobicContact CG1-CG1 4.26Å; V57-A79 HydrophobicContact CB-CB 4.07Å; V57-A79 HydrophobicContact CG1-CB 3.73Å; V57-P317 HydrophobicContact CG2-CB 3.78Å; V57-P317 HydrophobicContact CG2-CG 3.92Å; V57-Y320 HydrophobicContact CG1-CD2 4.06Å; V57-Y320 HydrophobicContact CG1-CE2 4.21Å; V57-Y320 HydrophobicContact CG2-CD2 3.95Å; V57-F327 HydrophobicContact CG2-CE1 4.35Å; V57-F327 HydrophobicContact CG2-CZ 3.98Å |
| 58 | I | 97.6 | Very high | 94.9 | Very high | 31 Ų | 31 | 53.3 Ų | 53.3 | 16% | 0.159 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.9 | -53.5 | 178.3 | -65.7 | 163.3 | 0 | 0 | 0 | 110 | N54 L55 F60 T62 A79 I80 F83 | N54-I58 VanDerWaalsContact O-CG1 3.28Å; N54-I58 WeakPolarHBondContact O-CG1 3.1Å; N54-I58 PolarHBondContact O-N 3.48Å; L55-I58 PolarHBondContact O-N 3.28Å; I58-F60 PolarHBondContact O-N 3.27Å; I58-T62 HydrophobicContact CG2-CG2 4.39Å; I58-T62 VanDerWaalsContact O-CB 3.28Å; I58-T62 WeakPolarHBondContact O-CB 3.33Å; I58-T62 WeakPolarHBondContact O-CG2 3.43Å; I58-T62 PolarHBondContact O-N 2.86Å; I58-T62 PolarHBondContact O-OG1 3.47Å; I58-A79 HydrophobicContact CD1-CB 4.39Å; I58-A79 HydrophobicContact CG1-CB 3.74Å; I58-I80 HydrophobicContact CD1-CB 4.49Å; I58-I80 HydrophobicContact CD1-CG1 3.79Å; I58-I80 HydrophobicContact CG1-CG1 4.07Å; I58-F83 HydrophobicContact CD1-CB 4.24Å |
| 59 | V | 96.4 | Very high | 94.4 | Very high | 61 Ų | 61 | 50.3 Ų | 50.3 | 37% | 0.37 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59 | -47.5 | -178.8 | 169.6 | 0 | 0 | 0 | 0 | 110.9 | L55 V57 T62 M63 | L55-V59 HydrophobicContact CD1-CG2 4.24Å; L55-V59 HydrophobicContact CG-CG2 4.41Å; L55-V59 WeakPolarHBondContact O-CB 3.21Å; L55-V59 VanDerWaalsContact O-CG2 3.31Å; L55-V59 WeakPolarHBondContact O-CG2 3.44Å; L55-V59 PolarHBondContact O-N 2.86Å; V57-V59 PolarHBondContact O-N 3.19Å; V59-T62 PolarHBondContact O-OG1 3.5Å; V59-M63 HydrophobicContact CG1-CE 4.31Å; V59-M63 WeakPolarHBondContact O-CA 3.18Å; V59-M63 WeakPolarHBondContact O-CB 3.37Å; V59-M63 PolarHBondContact O-N 2.96Å |
| 60 | F | 95.3 | Very high | 93.9 | Very high | 9 Ų | 9 | 49.3 Ų | 49.3 | 4% | 0.039 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.4 | -46 | -175.3 | -84.7 | -127.1 | 0 | 0 | 0 | 111.6 | L56 V57 I58 T62 M63 F64 L67 F327 L330 L331 R334 F335 | L56-F60 HydrophobicContact CD1-CD2 3.62Å; L56-F60 HydrophobicContact CD1-CE2 3.26Å; L56-F60 HydrophobicContact CD1-CZ 3.96Å; L56-F60 HydrophobicContact CG-CD2 4.27Å; L56-F60 HydrophobicContact CG-CE2 4.3Å; L56-F60 WeakPolarHBondContact O-CB 3.33Å; L56-F60 VanDerWaalsContact O-CD2 3.26Å; L56-F60 WeakPolarHBondContact O-CD2 3.3Å; L56-F60 PolarHBondContact O-N 2.81Å; V57-F60 PolarHBondContact O-N 3.08Å; I58-F60 PolarHBondContact O-N 3.27Å; F60-T62 VanDerWaalsContact C-N 3.28Å; F60-T62 PolarHBondContact O-N 3.49Å; F60-M63 PolarHBondContact O-N 3.29Å; F60-F64 HydrophobicContact CB-CD2 4.16Å; F60-F64 HydrophobicContact CB-CE2 4.35Å; F60-F64 HydrophobicContact CD1-CD2 4.04Å; F60-F64 AromaticContact CD1-CE2 3.55Å; F60-F64 HydrophobicContact CD1-CE2 3.55Å; F60-F64 HydrophobicContact CD2-CE2 4.4Å; F60-F64 AromaticContact CE1-CE2 3.82Å; F60-F64 HydrophobicContact CE1-CE2 3.82Å; F60-F64 HydrophobicContact CG-CD2 4.17Å; F60-F64 AromaticContact CG-CE2 3.87Å; F60-F64 HydrophobicContact CG-CE2 3.87Å; F60-F64 HydrophobicContact CZ-CE2 4.34Å; F60-F64 WeakPolarHBondContact O-CD2 3.39Å; F60-F64 PolarHBondContact O-N 2.89Å; F60-L67 HydrophobicContact CB-CD1 4.37Å; F60-F327 HydrophobicContact CB-CD2 3.96Å; F60-F327 HydrophobicContact CB-CE2 3.67Å; F60-F327 AromaticContact CD1-CD2 3.96Å; F60-F327 HydrophobicContact CD1-CD2 3.96Å; F60-F327 AromaticContact CD1-CE2 3.8Å; F60-F327 HydrophobicContact CD1-CE2 3.8Å; F60-F327 HydrophobicContact CG-CD2 4.27Å; F60-F327 AromaticContact CG-CE2 3.83Å; F60-F327 HydrophobicContact CG-CE2 3.83Å; F60-L330 HydrophobicContact CD1-CB 3.95Å; F60-L330 HydrophobicContact CE1-CB 4.01Å; F60-L331 HydrophobicContact CD1-CD2 4.2Å; F60-L331 HydrophobicContact CE1-CD2 3.76Å; F60-L331 HydrophobicContact CE1-CG 4.26Å; F60-L331 HydrophobicContact CZ-CD2 4Å; F60-R334 HydrophobicContact CE1-CB 4.48Å; F60-R334 HydrophobicContact CE1-CG 4.25Å; F60-R334 HydrophobicContact CZ-CB 4Å; F60-R334 HydrophobicContact CZ-CG 3.96Å; F60-F335 HydrophobicContact CE2-CE2 4.23Å; F60-F335 HydrophobicContact CZ-CD2 4.45Å; F60-F335 AromaticContact CZ-CE2 3.82Å; F60-F335 HydrophobicContact CZ-CE2 3.82Å |
| 61 | F | 94.5 | Very high | 93.3 | Very high | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.018 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69 | -28.9 | -177.9 | -79.9 | -120.8 | 0 | 0 | 0 | 112.3 | V57 L67 R68 N72 V75 V76 F263 Y324 F327 | V57-F61 HydrophobicContact CG1-CD2 3.89Å; V57-F61 HydrophobicContact CG1-CE2 3.99Å; V57-F61 HydrophobicContact CG1-CG 4.4Å; V57-F61 WeakPolarHBondContact O-CB 3.23Å; V57-F61 VanDerWaalsContact O-CD2 3.23Å; V57-F61 WeakPolarHBondContact O-CD2 3.29Å; V57-F61 PolarHBondContact O-N 3.43Å; F61-L67 HydrophobicContact CD2-CD1 3.94Å; F61-L67 HydrophobicContact CE2-CD1 4.29Å; F61-L67 HydrophobicContact CG-CB 4.48Å; F61-L67 HydrophobicContact CG-CD1 4.24Å; F61-R68 WeakPolarHBondContact O-CG 3.02Å; F61-N72 HydrophobicContact CD1-CB 3.93Å; F61-N72 HydrophobicContact CE1-CB 4.22Å; F61-V75 HydrophobicContact CD1-CB 4.21Å; F61-V75 HydrophobicContact CD1-CG1 3.91Å; F61-V75 HydrophobicContact CE1-CB 3.95Å; F61-V75 HydrophobicContact CE1-CG1 3.47Å; F61-V75 VanDerWaalsContact CE1-CG1 3.47Å; F61-V75 HydrophobicContact CE1-CG2 4.44Å; F61-V75 HydrophobicContact CZ-CG1 3.88Å; F61-V76 HydrophobicContact CB-CG2 3.51Å; F61-V76 HydrophobicContact CD1-CG2 4.48Å; F61-V76 HydrophobicContact CG-CG2 4.37Å; F61-F263 HydrophobicContact CZ-CE1 4.46Å; F61-Y324 HydrophobicContact CE1-CD1 4.23Å; F61-Y324 AromaticContact CE1-CE1 3.84Å; F61-Y324 HydrophobicContact CE1-CE1 3.84Å; F61-Y324 HydrophobicContact CE2-CD1 4.43Å; F61-Y324 AromaticContact CZ-CD1 3.63Å; F61-Y324 HydrophobicContact CZ-CD1 3.63Å; F61-Y324 AromaticContact CZ-CE1 3.69Å; F61-Y324 HydrophobicContact CZ-CE1 3.69Å; F61-F327 HydrophobicContact CD2-CD2 4.26Å; F61-F327 HydrophobicContact CD2-CE2 4.5Å; F61-F327 HydrophobicContact CE2-CB 4.2Å; F61-F327 HydrophobicContact CE2-CD1 4.37Å; F61-F327 AromaticContact CE2-CD2 3.74Å; F61-F327 HydrophobicContact CE2-CD2 3.74Å; F61-F327 HydrophobicContact CE2-CE2 4.16Å; F61-F327 AromaticContact CE2-CG 3.86Å; F61-F327 HydrophobicContact CE2-CG 3.86Å |
| 62 | T | 94.8 | Very high | 93.1 | Very high | 68 Ų | 68 | 47 Ų | 47 | 42% | 0.417 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -87.7 | -25.8 | 174.8 | 61.3 | 0 | 0 | 0 | 0 | 113.2 | I58 V59 F60 R68 V76 | I58-T62 HydrophobicContact CG2-CG2 4.39Å; I58-T62 VanDerWaalsContact O-CB 3.28Å; I58-T62 WeakPolarHBondContact O-CB 3.33Å; I58-T62 WeakPolarHBondContact O-CG2 3.43Å; I58-T62 PolarHBondContact O-N 2.86Å; I58-T62 PolarHBondContact O-OG1 3.47Å; V59-T62 PolarHBondContact O-OG1 3.5Å; F60-T62 VanDerWaalsContact C-N 3.28Å; F60-T62 PolarHBondContact O-N 3.49Å; T62-R68 PolarHBondContact O-NE 3.48Å; T62-R68 PolarHBondContact O-NH2 2.91Å; T62-V76 HydrophobicContact CG2-CG1 4.09Å; T62-V76 HydrophobicContact CG2-CG2 4.28Å |
| 63 | M | 94.1 | Very high | 92.9 | Very high | 84 Ų | 84 | 45.1 Ų | 45.1 | 41% | 0.414 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -86.4 | -41.6 | -178.1 | -176.8 | 175.6 | 58.9 | 0 | 0 | 112.8 | V59 F60 R68 | V59-M63 HydrophobicContact CG1-CE 4.31Å; V59-M63 WeakPolarHBondContact O-CA 3.18Å; V59-M63 WeakPolarHBondContact O-CB 3.37Å; V59-M63 PolarHBondContact O-N 2.96Å; F60-M63 PolarHBondContact O-N 3.29Å; M63-R68 PolarHBondContact O-NH2 2.97Å; M63-R68 VanDerWaalsContact O-NH2 3.14Å |
| 64 | F | 92.5 | Very high | 92.7 | Very high | 32 Ų | 32 | 42.9 Ų | 42.9 | 14% | 0.14 | 22% | 0.216 | C | C | . | . | trans | -90 | 117.6 | -173 | -67.5 | -75.7 | 0 | 0 | 0 | 112.3 | F60 S66 L67 R68 L330 R334 | F60-F64 HydrophobicContact CB-CD2 4.16Å; F60-F64 HydrophobicContact CB-CE2 4.35Å; F60-F64 HydrophobicContact CD1-CD2 4.04Å; F60-F64 AromaticContact CD1-CE2 3.55Å; F60-F64 HydrophobicContact CD1-CE2 3.55Å; F60-F64 HydrophobicContact CD2-CE2 4.4Å; F60-F64 AromaticContact CE1-CE2 3.82Å; F60-F64 HydrophobicContact CE1-CE2 3.82Å; F60-F64 HydrophobicContact CG-CD2 4.17Å; F60-F64 AromaticContact CG-CE2 3.87Å; F60-F64 HydrophobicContact CG-CE2 3.87Å; F60-F64 HydrophobicContact CZ-CE2 4.34Å; F60-F64 WeakPolarHBondContact O-CD2 3.39Å; F60-F64 PolarHBondContact O-N 2.89Å; F64-S66 PolarHBondContact O-N 3.46Å; F64-S66 VanDerWaalsContact O-N 3.08Å; F64-L67 HydrophobicContact CB-CD1 4.3Å; F64-L67 HydrophobicContact CB-CG 4.24Å; F64-L67 PolarHBondContact O-N 3.49Å; F64-R68 PolarHBondContact O-N 3.11Å; F64-L330 HydrophobicContact CB-CD1 3.93Å; F64-L330 HydrophobicContact CD1-CD1 4.27Å; F64-L330 HydrophobicContact CD1-CD2 3.72Å; F64-L330 HydrophobicContact CD2-CD1 3.75Å; F64-L330 HydrophobicContact CD2-CD2 4.32Å; F64-L330 HydrophobicContact CD2-CG 4.43Å; F64-L330 HydrophobicContact CE1-CD2 3.68Å; F64-L330 HydrophobicContact CE2-CB 4.27Å; F64-L330 HydrophobicContact CE2-CD1 4.28Å; F64-L330 HydrophobicContact CE2-CD2 4.27Å; F64-L330 HydrophobicContact CG-CD1 3.73Å; F64-L330 HydrophobicContact CG-CD2 4.05Å; F64-L330 HydrophobicContact CG-CG 4.46Å; F64-L330 HydrophobicContact CZ-CD2 3.95Å; F64-R334 HydrophobicContact CZ-CG 4.25Å | ||
| 65 | K | 88.9 | Confident | 92.5 | Very high | 183 Ų | 183 | 43.1 Ų | 43.1 | 80% | 0.796 | 22% | 0.217 | S | C | * | . | G | 310 helix | trans | -51.8 | -35.1 | 178.5 | -67.6 | -174.8 | 180 | -179.7 | 0 | 113.3 | L67 R68 | K65-L67 PolarHBondContact O-N 3.08Å; K65-R68 PolarHBondContact O-N 3.06Å |
| 66 | S | 86.6 | Confident | 92.5 | Very high | 60 Ų | 60 | 40 Ų | 40 | 42% | 0.42 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -66 | -14.5 | 179.3 | 58.8 | 0 | 0 | 0 | 0 | 114.7 | F64 K326 | F64-S66 PolarHBondContact O-N 3.46Å; F64-S66 VanDerWaalsContact O-N 3.08Å; S66-K326 PolarHBondContact O-NZ 3.04Å |
| 67 | L | 88.8 | Confident | 92.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -106.1 | -12.8 | 178 | -59.6 | -176.1 | 0 | 0 | 0 | 113.3 | F60 F61 F64 K65 T69 N72 Y324 K326 L330 | F60-L67 HydrophobicContact CB-CD1 4.37Å; F61-L67 HydrophobicContact CD2-CD1 3.94Å; F61-L67 HydrophobicContact CE2-CD1 4.29Å; F61-L67 HydrophobicContact CG-CB 4.48Å; F61-L67 HydrophobicContact CG-CD1 4.24Å; F64-L67 HydrophobicContact CB-CD1 4.3Å; F64-L67 HydrophobicContact CB-CG 4.24Å; F64-L67 PolarHBondContact O-N 3.49Å; K65-L67 PolarHBondContact O-N 3.08Å; L67-T69 PolarHBondContact O-N 2.88Å; L67-N72 WeakPolarHBondContact O-CB 3.46Å; L67-N72 PolarHBondContact O-ND2 2.93Å; L67-Y324 HydrophobicContact CD2-CD1 4.37Å; L67-Y324 HydrophobicContact CD2-CE1 3.52Å; L67-K326 HydrophobicContact CD2-CB 3.72Å; L67-K326 HydrophobicContact CD2-CD 4.24Å; L67-L330 HydrophobicContact CD1-CD1 3.68Å; L67-L330 HydrophobicContact CD2-CD1 4.37Å; L67-L330 HydrophobicContact CG-CD1 3.94Å |
| 68 | R | 89.6 | Confident | 92.5 | Very high | 148 Ų | 148 | 38.2 Ų | 38.2 | 56% | 0.558 | 19% | 0.192 | S | C | * | . | trans | -79.9 | 59 | -177.8 | -63 | -179.7 | -170.4 | 174.2 | -2.2 | 112.7 | F61 T62 M63 F64 K65 | F61-R68 WeakPolarHBondContact O-CG 3.02Å; T62-R68 PolarHBondContact O-NE 3.48Å; T62-R68 PolarHBondContact O-NH2 2.91Å; M63-R68 PolarHBondContact O-NH2 2.97Å; M63-R68 VanDerWaalsContact O-NH2 3.14Å; F64-R68 PolarHBondContact O-N 3.11Å; K65-R68 PolarHBondContact O-N 3.06Å | ||
| 69 | T | 87.1 | Confident | 92.6 | Very high | 16 Ų | 16 | 36.7 Ų | 36.7 | 10% | 0.098 | 19% | 0.185 | C | C | . | . | trans | -94 | 155.4 | 172.5 | 64.9 | 0 | 0 | 0 | 0 | 110.5 | L67 S71 N72 I73 S260 | L67-T69 PolarHBondContact O-N 2.88Å; T69-S71 VanDerWaalsContact C-N 3.26Å; T69-S71 PolarHBondContact O-N 3.36Å; T69-N72 PolarHBondContact O-N 3.14Å; T69-N72 WeakPolarHBondContact OG1-CB 3.48Å; T69-N72 PolarHBondContact OG1-N 3.22Å; T69-N72 PolarHBondContact OG1-ND2 2.7Å; T69-N72 VanDerWaalsContact OG1-ND2 3.09Å; T69-I73 PolarHBondContact O-N 3.5Å; T69-S260 PolarHBondContact OG1-OG 3.49Å | ||
| 70 | P | 86.4 | Confident | 92.6 | Very high | 29 Ų | 29 | 36.9 Ų | 36.9 | 19% | 0.188 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -52.7 | -43 | 177 | -26.4 | 34.5 | 0 | 0 | 0 | 113.1 | N72 I73 T149 P151 | P70-N72 VanDerWaalsContact C-N 3.3Å; P70-N72 PolarHBondContact O-N 2.93Å; P70-I73 VanDerWaalsContact O-CB 3.31Å; P70-I73 WeakPolarHBondContact O-CB 3.48Å; P70-I73 PolarHBondContact O-N 2.81Å; P70-I73 VanDerWaalsContact O-N 3.15Å; P70-T149 HydrophobicContact CB-CG2 3.73Å; P70-P151 HydrophobicContact CB-CG 4.48Å; P70-P151 HydrophobicContact CG-CG 4.01Å |
| 71 | S | 86.3 | Confident | 92.8 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.014 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64 | -33.5 | 178.5 | -46.8 | 0 | 0 | 0 | 0 | 113 | T69 I73 L74 R135 D261 | T69-S71 VanDerWaalsContact C-N 3.26Å; T69-S71 PolarHBondContact O-N 3.36Å; S71-I73 VanDerWaalsContact C-N 3.28Å; S71-I73 PolarHBondContact O-N 3.29Å; S71-L74 PolarHBondContact O-N 3.15Å; S71-R135 PolarHBondContact OG-NH2 2.92Å; S71-D261 WeakPolarHBondContact CB-OD1 3.43Å; S71-D261 PolarHBondContact OG-OD1 3.28Å |
| 72 | N | 91.9 | Very high | 93 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.011 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -76.5 | -13.8 | 178.3 | -73.8 | -12.3 | 0 | 0 | 0 | 113 | F61 L67 T69 P70 L74 V75 V76 S260 V264 Y324 | F61-N72 HydrophobicContact CD1-CB 3.93Å; F61-N72 HydrophobicContact CE1-CB 4.22Å; L67-N72 WeakPolarHBondContact O-CB 3.46Å; L67-N72 PolarHBondContact O-ND2 2.93Å; T69-N72 PolarHBondContact O-N 3.14Å; T69-N72 WeakPolarHBondContact OG1-CB 3.48Å; T69-N72 PolarHBondContact OG1-N 3.22Å; T69-N72 PolarHBondContact OG1-ND2 2.7Å; T69-N72 VanDerWaalsContact OG1-ND2 3.09Å; P70-N72 VanDerWaalsContact C-N 3.3Å; P70-N72 PolarHBondContact O-N 2.93Å; N72-L74 VanDerWaalsContact C-N 3.29Å; N72-L74 PolarHBondContact O-N 3.45Å; N72-V75 WeakPolarHBondContact O-CB 3.21Å; N72-V75 PolarHBondContact O-N 3.48Å; N72-V76 PolarHBondContact O-N 3.48Å; N72-V76 VanDerWaalsContact O-N 3.07Å; N72-S260 VanDerWaalsContact CG-OG 3.24Å; N72-S260 PolarHBondContact ND2-OG 2.75Å; N72-S260 PolarHBondContact OD1-OG 3.46Å; N72-V264 WeakPolarHBondContact OD1-CG2 3.27Å; N72-Y324 PolarHBondContact ND2-OH 2.66Å |
| 73 | I | 93.9 | Very high | 93.1 | Very high | 40 Ų | 40 | 36.4 Ų | 36.4 | 21% | 0.205 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.2 | -38.4 | 172.8 | -62 | 173.3 | 0 | 0 | 0 | 110.2 | T69 P70 S71 V75 V76 N77 P151 T154 L155 M158 | T69-I73 PolarHBondContact O-N 3.5Å; P70-I73 VanDerWaalsContact O-CB 3.31Å; P70-I73 WeakPolarHBondContact O-CB 3.48Å; P70-I73 PolarHBondContact O-N 2.81Å; P70-I73 VanDerWaalsContact O-N 3.15Å; S71-I73 VanDerWaalsContact C-N 3.28Å; S71-I73 PolarHBondContact O-N 3.29Å; I73-V75 VanDerWaalsContact C-N 3.31Å; I73-V75 PolarHBondContact O-N 2.87Å; I73-V76 WeakPolarHBondContact O-CB 3.21Å; I73-V76 PolarHBondContact O-N 3.37Å; I73-N77 PolarHBondContact O-N 2.93Å; I73-P151 HydrophobicContact CD1-CB 4.03Å; I73-T154 HydrophobicContact CB-CG2 3.74Å; I73-T154 HydrophobicContact CG2-CG2 3.73Å; I73-L155 HydrophobicContact CG2-CD2 4.44Å; I73-M158 HydrophobicContact CG2-CE 4.49Å; I73-M158 HydrophobicContact CG2-SD 3.37Å; I73-M158 WeakPolarHBondContact CG2-SD 3.18Å |
| 74 | L | 93.7 | Very high | 93.3 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.1 | -31.9 | 174.8 | -66.3 | 176.6 | 0 | 0 | 0 | 112.4 | S71 N72 V76 N77 L78 T127 V131 T154 M158 | S71-L74 PolarHBondContact O-N 3.15Å; N72-L74 VanDerWaalsContact C-N 3.29Å; N72-L74 PolarHBondContact O-N 3.45Å; L74-V76 VanDerWaalsContact C-N 3.32Å; L74-N77 WeakPolarHBondContact O-CB 2.95Å; L74-N77 PolarHBondContact O-N 3.41Å; L74-L78 PolarHBondContact O-N 2.83Å; L74-T127 HydrophobicContact CB-CG2 4.28Å; L74-T127 WeakPolarHBondContact O-CG2 3.34Å; L74-V131 HydrophobicContact CB-CG2 3.73Å; L74-V131 HydrophobicContact CD1-CB 4.46Å; L74-V131 HydrophobicContact CD1-CG2 3.57Å; L74-V131 HydrophobicContact CG-CG2 4.27Å; L74-T154 HydrophobicContact CD1-CG2 4.45Å; L74-T154 HydrophobicContact CD2-CG2 3.71Å; L74-T154 HydrophobicContact CG-CG2 3.65Å; L74-M158 HydrophobicContact CD2-CG 4.22Å |
| 75 | V | 94.4 | Very high | 93.6 | Very high | 5 Ų | 5 | 31.9 Ų | 31.9 | 3% | 0.03 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.2 | -40.1 | 172.5 | 176.3 | 0 | 0 | 0 | 0 | 110.8 | V57 F61 N72 I73 L78 A79 V264 Y320 | V57-V75 HydrophobicContact CG1-CG1 4.26Å; F61-V75 HydrophobicContact CD1-CB 4.21Å; F61-V75 HydrophobicContact CD1-CG1 3.91Å; F61-V75 HydrophobicContact CE1-CB 3.95Å; F61-V75 HydrophobicContact CE1-CG1 3.47Å; F61-V75 VanDerWaalsContact CE1-CG1 3.47Å; F61-V75 HydrophobicContact CE1-CG2 4.44Å; F61-V75 HydrophobicContact CZ-CG1 3.88Å; N72-V75 WeakPolarHBondContact O-CB 3.21Å; N72-V75 PolarHBondContact O-N 3.48Å; I73-V75 VanDerWaalsContact C-N 3.31Å; I73-V75 PolarHBondContact O-N 2.87Å; V75-L78 PolarHBondContact O-N 2.91Å; V75-A79 PolarHBondContact O-N 2.55Å; V75-V264 HydrophobicContact CG2-CG2 3.84Å; V75-Y320 HydrophobicContact CG1-CD2 4.14Å; V75-Y320 HydrophobicContact CG1-CE1 4.29Å; V75-Y320 HydrophobicContact CG1-CE2 3.58Å |
| 76 | V | 96.2 | Very high | 94 | Very high | 20 Ų | 20 | 23.3 Ų | 23.3 | 12% | 0.121 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.2 | -42.3 | 173.6 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | F61 T62 N72 I73 L74 L78 A79 I80 | F61-V76 HydrophobicContact CB-CG2 3.51Å; F61-V76 HydrophobicContact CD1-CG2 4.48Å; F61-V76 HydrophobicContact CG-CG2 4.37Å; T62-V76 HydrophobicContact CG2-CG1 4.09Å; T62-V76 HydrophobicContact CG2-CG2 4.28Å; N72-V76 PolarHBondContact O-N 3.48Å; N72-V76 VanDerWaalsContact O-N 3.07Å; I73-V76 WeakPolarHBondContact O-CB 3.21Å; I73-V76 PolarHBondContact O-N 3.37Å; L74-V76 VanDerWaalsContact C-N 3.32Å; V76-L78 VanDerWaalsContact C-N 3.31Å; V76-L78 PolarHBondContact O-N 3.41Å; V76-A79 PolarHBondContact O-N 2.82Å; V76-I80 HydrophobicContact CG1-CD1 3.89Å; V76-I80 HydrophobicContact CG1-CG1 4.34Å; V76-I80 WeakPolarHBondContact O-CG1 3.29Å; V76-I80 PolarHBondContact O-N 2.76Å |
| 77 | N | 97.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57.7 | -44.7 | 176.2 | -167.8 | 65.9 | 0 | 0 | 0 | 112 | I73 L74 I80 S81 T127 M158 W162 | I73-N77 PolarHBondContact O-N 2.93Å; L74-N77 WeakPolarHBondContact O-CB 2.95Å; L74-N77 PolarHBondContact O-N 3.41Å; N77-I80 PolarHBondContact O-N 3.29Å; N77-S81 PolarHBondContact O-N 2.86Å; N77-T127 HydrophobicContact CB-CG2 4.43Å; N77-T127 PolarHBondContact ND2-OG1 3.36Å; N77-M158 HydrophobicContact CB-CE 3.93Å; N77-M158 HydrophobicContact CB-CG 4.01Å; N77-M158 HydrophobicContact CB-SD 4.25Å; N77-M158 WeakPolarHBondContact OD1-CE 3.42Å; N77-W162 PolarHBondContact OD1-NE1 3.1Å |
| 78 | L | 96.9 | Very high | 94.9 | Very high | 5 Ų | 5 | 23.6 Ų | 23.6 | 3% | 0.026 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.4 | -44.1 | 177.2 | -171.3 | 54.9 | 0 | 0 | 0 | 111.5 | L74 V75 V76 I80 S81 D82 S124 T127 I128 L271 N316 Y320 | L74-L78 PolarHBondContact O-N 2.83Å; V75-L78 PolarHBondContact O-N 2.91Å; V76-L78 VanDerWaalsContact C-N 3.31Å; V76-L78 PolarHBondContact O-N 3.41Å; L78-I80 PolarHBondContact O-N 2.97Å; L78-S81 WeakPolarHBondContact O-CB 3.27Å; L78-S81 PolarHBondContact O-N 3.41Å; L78-D82 PolarHBondContact O-N 2.88Å; L78-S124 VanDerWaalsContact CD1-CA 3.44Å; L78-S124 VanDerWaalsContact CD1-CB 3.49Å; L78-T127 HydrophobicContact CB-CG2 4.03Å; L78-I128 HydrophobicContact CD2-CG1 4.3Å; L78-L271 HydrophobicContact CD2-CD1 3.88Å; L78-N316 WeakPolarHBondContact CD2-ND2 3.41Å; L78-N316 VanDerWaalsContact CG-ND2 3.33Å; L78-N316 WeakPolarHBondContact CG-ND2 3.46Å; L78-Y320 WeakPolarHBondContact CD2-OH 3Å |
| 79 | A | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.2 | -36.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | N54 V57 I58 V75 V76 S81 F83 | N54-A79 HydrophobicContact CB-CB 4.41Å; N54-A79 WeakPolarHBondContact CB-O 3.46Å; V57-A79 HydrophobicContact CB-CB 4.07Å; V57-A79 HydrophobicContact CG1-CB 3.73Å; I58-A79 HydrophobicContact CD1-CB 4.39Å; I58-A79 HydrophobicContact CG1-CB 3.74Å; V75-A79 PolarHBondContact O-N 2.55Å; V76-A79 PolarHBondContact O-N 2.82Å; A79-S81 VanDerWaalsContact C-N 3.34Å; A79-F83 WeakPolarHBondContact O-CB 3.47Å; A79-F83 PolarHBondContact O-N 2.88Å |
| 80 | I | 98.1 | Very high | 95.5 | Very high | 64 Ų | 64 | 16 Ų | 16 | 33% | 0.328 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -62.4 | -44.7 | 173.6 | -69.8 | 167.3 | 0 | 0 | 0 | 110.3 | I58 V76 N77 L78 G84 W162 | I58-I80 HydrophobicContact CD1-CB 4.49Å; I58-I80 HydrophobicContact CD1-CG1 3.79Å; I58-I80 HydrophobicContact CG1-CG1 4.07Å; V76-I80 HydrophobicContact CG1-CD1 3.89Å; V76-I80 HydrophobicContact CG1-CG1 4.34Å; V76-I80 WeakPolarHBondContact O-CG1 3.29Å; V76-I80 PolarHBondContact O-N 2.76Å; N77-I80 PolarHBondContact O-N 3.29Å; L78-I80 PolarHBondContact O-N 2.97Å; I80-G84 PolarHBondContact O-N 3.06Å; I80-W162 HydrophobicContact CG2-CH2 4.32Å; I80-W162 HydrophobicContact CG2-CZ2 4Å |
| 81 | S | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.1 | -52 | 177 | -168.5 | 0 | 0 | 0 | 0 | 111.7 | N77 L78 A79 F83 G84 F85 F120 S124 | N77-S81 PolarHBondContact O-N 2.86Å; L78-S81 WeakPolarHBondContact O-CB 3.27Å; L78-S81 PolarHBondContact O-N 3.41Å; A79-S81 VanDerWaalsContact C-N 3.34Å; S81-F83 PolarHBondContact O-N 2.98Å; S81-G84 PolarHBondContact O-N 2.75Å; S81-F85 WeakPolarHBondContact O-CB 3.44Å; S81-F85 PolarHBondContact O-N 3.4Å; S81-F120 WeakPolarHBondContact O-CB 3.32Å; S81-F120 WeakPolarHBondContact O-CD1 3.43Å; S81-F120 WeakPolarHBondContact O-CG 3.49Å; S81-F120 WeakPolarHBondContact OG-CA 3.46Å; S81-F120 PolarHBondContact OG-O 3.49Å; S81-S124 WeakPolarHBondContact CB-OG 3.34Å; S81-S124 PolarHBondContact OG-OG 3.43Å |
| 82 | D | 98.2 | Very high | 96.3 | Very high | 8 Ų | 8 | 20.9 Ų | 20.9 | 4% | 0.043 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -70.5 | -30.2 | -177.3 | -63.5 | -27.6 | 0 | 0 | 0 | 113.2 | N54 L78 S86 S124 A313 N316 | N54-D82 WeakPolarHBondContact ND2-CB 3.27Å; L78-D82 PolarHBondContact O-N 2.88Å; D82-S86 VanDerWaalsContact O-CB 3.28Å; D82-S86 WeakPolarHBondContact O-CB 3.03Å; D82-S86 PolarHBondContact O-N 2.83Å; D82-S86 PolarHBondContact O-OG 3.01Å; D82-S124 PolarHBondContact OD1-OG 2.93Å; D82-A313 HydrophobicContact CB-CB 3.92Å; D82-N316 PolarHBondContact OD2-ND2 2.89Å |
| 83 | F | 98.4 | Very high | 96.6 | Very high | 64 Ų | 64 | 22.4 Ų | 22.4 | 28% | 0.281 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -61.3 | -51.3 | 168.9 | 176 | -91.5 | 0 | 0 | 0 | 110.5 | M51 N54 L55 I58 A79 S81 F85 S86 A87 | M51-F83 HydrophobicContact CB-CD2 4.27Å; M51-F83 HydrophobicContact CB-CE2 4.08Å; M51-F83 HydrophobicContact CE-CE2 4.46Å; M51-F83 HydrophobicContact CE-CZ 4.42Å; M51-F83 HydrophobicContact CG-CE2 4.39Å; M51-F83 WeakPolarHBondContact O-CD2 3.43Å; N54-F83 HydrophobicContact CB-CB 3.89Å; L55-F83 HydrophobicContact CB-CD2 4.06Å; L55-F83 HydrophobicContact CB-CE2 4.02Å; I58-F83 HydrophobicContact CD1-CB 4.24Å; A79-F83 WeakPolarHBondContact O-CB 3.47Å; A79-F83 PolarHBondContact O-N 2.88Å; S81-F83 PolarHBondContact O-N 2.98Å; F83-F85 VanDerWaalsContact C-N 3.35Å; F83-F85 PolarHBondContact O-N 2.92Å; F83-S86 PolarHBondContact O-N 3.22Å; F83-A87 WeakPolarHBondContact O-CB 3.32Å; F83-A87 PolarHBondContact O-N 3.23Å |
| 84 | G | 98 | Very high | 96.8 | Very high | 10 Ų | 10 | 20.5 Ų | 20.5 | 10% | 0.103 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.4 | -43.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I80 S81 S86 A87 V88 F120 | I80-G84 PolarHBondContact O-N 3.06Å; S81-G84 PolarHBondContact O-N 2.75Å; G84-S86 VanDerWaalsContact C-N 3.35Å; G84-S86 PolarHBondContact O-N 3.11Å; G84-A87 PolarHBondContact O-N 3.27Å; G84-V88 PolarHBondContact O-N 3.34Å; G84-V88 VanDerWaalsContact O-N 3.09Å; G84-F120 WeakPolarHBondContact O-CE2 3.48Å |
| 85 | F | 98.2 | Very high | 97 | Very high | 10 Ų | 10 | 20.6 Ų | 20.6 | 4% | 0.044 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -57 | -50 | 174.7 | -171.6 | -84.9 | 0 | 0 | 0 | 110.6 | S81 F83 A87 V88 I89 F120 W279 K310 A313 | S81-F85 WeakPolarHBondContact O-CB 3.44Å; S81-F85 PolarHBondContact O-N 3.4Å; F83-F85 VanDerWaalsContact C-N 3.35Å; F83-F85 PolarHBondContact O-N 2.92Å; F85-A87 PolarHBondContact O-N 3.44Å; F85-V88 PolarHBondContact O-N 2.9Å; F85-I89 HydrophobicContact CD1-CB 4.11Å; F85-I89 HydrophobicContact CD1-CG1 4.34Å; F85-I89 HydrophobicContact CD1-CG2 4.5Å; F85-I89 HydrophobicContact CD2-CG1 3.99Å; F85-I89 HydrophobicContact CE1-CB 3.94Å; F85-I89 HydrophobicContact CE1-CG1 4.36Å; F85-I89 HydrophobicContact CE1-CG2 3.83Å; F85-I89 HydrophobicContact CE2-CB 4.44Å; F85-I89 HydrophobicContact CE2-CG1 4.04Å; F85-I89 HydrophobicContact CE2-CG2 4.31Å; F85-I89 HydrophobicContact CG-CB 4.43Å; F85-I89 HydrophobicContact CG-CG1 4.16Å; F85-I89 HydrophobicContact CZ-CB 4.13Å; F85-I89 HydrophobicContact CZ-CG1 4.24Å; F85-I89 HydrophobicContact CZ-CG2 3.73Å; F85-I89 WeakPolarHBondContact O-CA 3.49Å; F85-I89 WeakPolarHBondContact O-CB 3.29Å; F85-I89 VanDerWaalsContact O-CG1 3.27Å; F85-I89 WeakPolarHBondContact O-CG1 3.46Å; F85-I89 PolarHBondContact O-N 3.4Å; F85-F120 HydrophobicContact CB-CB 3.75Å; F85-F120 HydrophobicContact CB-CD2 4.32Å; F85-F120 HydrophobicContact CB-CG 4.31Å; F85-F120 HydrophobicContact CD2-CB 4.02Å; F85-F120 HydrophobicContact CG-CB 4.4Å; F85-F120 VanDerWaalsContact N-CD2 3.29Å; F85-W279 AromaticContact CE2-CH2 3.84Å; F85-W279 HydrophobicContact CE2-CH2 3.84Å; F85-W279 AromaticContact CE2-CZ2 3.73Å; F85-W279 HydrophobicContact CE2-CZ2 3.73Å; F85-W279 HydrophobicContact CZ-CH2 4.11Å; F85-W279 AromaticContact CZ-CZ2 3.9Å; F85-W279 HydrophobicContact CZ-CZ2 3.9Å; F85-K310 HydrophobicContact CE1-CB 4.18Å; F85-K310 HydrophobicContact CE1-CG 4.14Å; F85-K310 HydrophobicContact CZ-CG 4.2Å; F85-A313 HydrophobicContact CD1-CB 4Å |
| 86 | S | 98.1 | Very high | 97.1 | Very high | 3 Ų | 3 | 24.1 Ų | 24.1 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | I | π-helix | trans | -66.9 | -36.3 | -177.4 | -60.5 | 0 | 0 | 0 | 0 | 112.6 | G50 D82 F83 G84 G90 A313 | G50-S86 WeakPolarHBondContact CA-OG 3.44Å; D82-S86 VanDerWaalsContact O-CB 3.28Å; D82-S86 WeakPolarHBondContact O-CB 3.03Å; D82-S86 PolarHBondContact O-N 2.83Å; D82-S86 PolarHBondContact O-OG 3.01Å; F83-S86 PolarHBondContact O-N 3.22Å; G84-S86 VanDerWaalsContact C-N 3.35Å; G84-S86 PolarHBondContact O-N 3.11Å; S86-G90 WeakPolarHBondContact O-CA 3.37Å; S86-G90 PolarHBondContact O-N 3.37Å; S86-G90 VanDerWaalsContact O-N 3.17Å; S86-A313 WeakPolarHBondContact OG-CB 3.37Å |
| 87 | A | 97.7 | Very high | 97.2 | Very high | 27 Ų | 27 | 23.2 Ų | 23.2 | 22% | 0.223 | 13% | 0.126 | C | C | . | . | I | π-helix | trans | -69.6 | -33.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | M51 F83 G84 F85 | M51-A87 HydrophobicContact CE-CB 4.19Å; M51-A87 HydrophobicContact CG-CB 4.12Å; M51-A87 HydrophobicContact SD-CB 4.03Å; F83-A87 WeakPolarHBondContact O-CB 3.32Å; F83-A87 PolarHBondContact O-N 3.23Å; G84-A87 PolarHBondContact O-N 3.27Å; F85-A87 PolarHBondContact O-N 3.44Å |
| 88 | V | 96.9 | Very high | 97.1 | Very high | 40 Ų | 40 | 23.2 Ų | 23.2 | 24% | 0.242 | 13% | 0.126 | C | C | . | . | I | π-helix | trans | -96.7 | -45.4 | 179.9 | -176 | 0 | 0 | 0 | 0 | 111.6 | G84 F85 L93 Y113 A116 F120 | G84-V88 PolarHBondContact O-N 3.34Å; G84-V88 VanDerWaalsContact O-N 3.09Å; F85-V88 PolarHBondContact O-N 2.9Å; V88-L93 HydrophobicContact CG1-CD1 4.05Å; V88-Y113 HydrophobicContact CG1-CD2 4.37Å; V88-Y113 WeakPolarHBondContact O-CD2 3.46Å; V88-Y113 WeakPolarHBondContact O-CE2 3.39Å; V88-A116 HydrophobicContact CB-CB 4.03Å; V88-A116 HydrophobicContact CG1-CB 3.68Å; V88-A116 HydrophobicContact CG2-CB 4.23Å; V88-F120 HydrophobicContact CG2-CE2 4.37Å |
| 89 | I | 96.3 | Very high | 97.2 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | I | π-helix | trans | -86 | -22 | -168.9 | -50.4 | -55.7 | 0 | 0 | 0 | 112.1 | F85 K94 Y113 A116 G117 K310 | F85-I89 HydrophobicContact CD1-CB 4.11Å; F85-I89 HydrophobicContact CD1-CG1 4.34Å; F85-I89 HydrophobicContact CD1-CG2 4.5Å; F85-I89 HydrophobicContact CD2-CG1 3.99Å; F85-I89 HydrophobicContact CE1-CB 3.94Å; F85-I89 HydrophobicContact CE1-CG1 4.36Å; F85-I89 HydrophobicContact CE1-CG2 3.83Å; F85-I89 HydrophobicContact CE2-CB 4.44Å; F85-I89 HydrophobicContact CE2-CG1 4.04Å; F85-I89 HydrophobicContact CE2-CG2 4.31Å; F85-I89 HydrophobicContact CG-CB 4.43Å; F85-I89 HydrophobicContact CG-CG1 4.16Å; F85-I89 HydrophobicContact CZ-CB 4.13Å; F85-I89 HydrophobicContact CZ-CG1 4.24Å; F85-I89 HydrophobicContact CZ-CG2 3.73Å; F85-I89 WeakPolarHBondContact O-CA 3.49Å; F85-I89 WeakPolarHBondContact O-CB 3.29Å; F85-I89 VanDerWaalsContact O-CG1 3.27Å; F85-I89 WeakPolarHBondContact O-CG1 3.46Å; F85-I89 PolarHBondContact O-N 3.4Å; I89-K94 WeakPolarHBondContact O-CB 3.24Å; I89-Y113 HydrophobicContact CB-CE2 4.43Å; I89-Y113 HydrophobicContact CD1-CD1 4.01Å; I89-Y113 HydrophobicContact CD1-CD2 4.06Å; I89-Y113 HydrophobicContact CD1-CE1 3.9Å; I89-Y113 HydrophobicContact CD1-CE2 3.98Å; I89-Y113 HydrophobicContact CD1-CG 4.08Å; I89-Y113 WeakPolarHBondContact CD1-O 3.37Å; I89-Y113 HydrophobicContact CG2-CE1 4.3Å; I89-Y113 HydrophobicContact CG2-CE2 4.46Å; I89-Y113 VanDerWaalsContact CG2-OH 3.22Å; I89-Y113 WeakPolarHBondContact CG2-OH 3.12Å; I89-Y113 PolarHBondContact O-OH 3.34Å; I89-A116 HydrophobicContact CD1-CB 4.35Å; I89-G117 VanDerWaalsContact CD1-CA 3.47Å; I89-K310 HydrophobicContact CG2-CD 3.89Å; I89-K310 HydrophobicContact CG2-CG 3.9Å |
| 90 | G | 93.1 | Very high | 97 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | I | π-helix | trans | -96.4 | -95.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S86 K94 T95 | S86-G90 WeakPolarHBondContact O-CA 3.37Å; S86-G90 PolarHBondContact O-N 3.37Å; S86-G90 VanDerWaalsContact O-N 3.17Å; G90-K94 PolarHBondContact O-N 2.89Å; G90-T95 PolarHBondContact O-N 2.89Å; G90-T95 PolarHBondContact O-OG1 2.88Å; G90-T95 VanDerWaalsContact O-OG1 3.08Å |
| 91 | F | 93.6 | Very high | 96.9 | Very high | 82 Ų | 82 | 28.6 Ų | 28.6 | 36% | 0.36 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | 129.9 | -177.7 | -178.8 | -87.5 | 0 | 0 | 0 | 110.4 | A44 I48 T95 | A44-F91 HydrophobicContact CB-CD2 4.43Å; I48-F91 HydrophobicContact CD1-CG 4.47Å; I48-F91 HydrophobicContact CG1-CB 4.19Å; I48-F91 HydrophobicContact CG1-CD1 4.47Å; I48-F91 HydrophobicContact CG1-CG 4.24Å; F91-T95 HydrophobicContact CD2-CG2 3.8Å; F91-T95 HydrophobicContact CE2-CG2 4.22Å |
| 92 | P | 96.1 | Very high | 96.8 | Very high | 50 Ų | 50 | 30.4 Ų | 30.4 | 33% | 0.325 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -96.2 | -19.2 | 12.9 | 34.6 | -35 | 0 | 0 | 0 | 115.9 | T95 M96 | P92-T95 WeakPolarHBondContact O-CB 3.44Å; P92-T95 PolarHBondContact O-N 2.73Å; P92-M96 HydrophobicContact CB-CG 4.4Å; P92-M96 HydrophobicContact CB-SD 3.94Å; P92-M96 WeakPolarHBondContact O-CB 3.32Å; P92-M96 WeakPolarHBondContact O-CG 3.28Å; P92-M96 PolarHBondContact O-N 3.09Å |
| 93 | L | 97.4 | Very high | 96.8 | Very high | 35 Ų | 35 | 30 Ų | 30 | 18% | 0.183 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.1 | -59.8 | -160.5 | -65.3 | 178.5 | 0 | 0 | 0 | 114.6 | V88 T95 A97 W103 W105 Y113 | V88-L93 HydrophobicContact CG1-CD1 4.05Å; L93-T95 VanDerWaalsContact C-N 3.33Å; L93-A97 WeakPolarHBondContact O-CB 3.34Å; L93-A97 PolarHBondContact O-N 3.37Å; L93-W103 HydrophobicContact CB-CH2 4.22Å; L93-W103 HydrophobicContact CB-CZ3 4.41Å; L93-W103 HydrophobicContact CD1-CH2 4.46Å; L93-W105 HydrophobicContact CD2-CD2 3.81Å; L93-W105 HydrophobicContact CD2-CE3 4.3Å; L93-W105 HydrophobicContact CD2-CG 4.12Å; L93-W105 HydrophobicContact CD2-CH2 4.43Å; L93-W105 HydrophobicContact CD2-CZ2 3.93Å; L93-W105 PolarHBondContact O-NE1 3.13Å; L93-Y113 HydrophobicContact CB-CD2 4.06Å; L93-Y113 HydrophobicContact CB-CE2 4.22Å; L93-Y113 HydrophobicContact CD1-CD2 3.97Å |
| 94 | K | 97.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.8 | -36 | 178.7 | 173.1 | 60.9 | 170.6 | -164.3 | 0 | 111.3 | I43 I89 G90 A97 A98 Y113 T186 S187 E303 | I43-K94 HydrophobicContact CG1-CB 4.42Å; I43-K94 HydrophobicContact CG1-CG 3.94Å; I43-K94 HydrophobicContact CG2-CG 4.07Å; I89-K94 WeakPolarHBondContact O-CB 3.24Å; G90-K94 PolarHBondContact O-N 2.89Å; K94-A97 PolarHBondContact O-N 3.41Å; K94-A98 WeakPolarHBondContact O-CB 3.1Å; K94-A98 PolarHBondContact O-N 3.34Å; K94-Y113 HydrophobicContact CB-CE2 4.08Å; K94-Y113 WeakPolarHBondContact CB-OH 3.39Å; K94-T186 WeakPolarHBondContact CD-O 3.47Å; K94-T186 PolarHBondContact NZ-OG1 3.19Å; K94-S187 PolarHBondContact NZ-OG 2.84Å; K94-E303 WeakPolarHBondContact CE-OE1 3.48Å; K94-E303 IonicContact NZ-OE1 3.2Å; K94-E303 PolarHBondContact NZ-OE1 2.9Å; K94-E303 IonicContact NZ-OE2 2.75Å |
| 95 | T | 97.7 | Very high | 96.6 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 3% | 0.025 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56 | -56.3 | 177 | -59.7 | 0 | 0 | 0 | 0 | 111.1 | A44 G90 F91 P92 L93 A98 F99 | A44-T95 HydrophobicContact CB-CG2 3.73Å; G90-T95 PolarHBondContact O-N 2.89Å; G90-T95 PolarHBondContact O-OG1 2.88Å; G90-T95 VanDerWaalsContact O-OG1 3.08Å; F91-T95 HydrophobicContact CD2-CG2 3.8Å; F91-T95 HydrophobicContact CE2-CG2 4.22Å; P92-T95 WeakPolarHBondContact O-CB 3.44Å; P92-T95 PolarHBondContact O-N 2.73Å; L93-T95 VanDerWaalsContact C-N 3.33Å; T95-A98 WeakPolarHBondContact O-CB 3.47Å; T95-A98 PolarHBondContact O-N 2.96Å; T95-F99 HydrophobicContact CG2-CD2 3.86Å; T95-F99 HydrophobicContact CG2-CE2 3.63Å; T95-F99 WeakPolarHBondContact O-CD2 3.4Å; T95-F99 PolarHBondContact O-N 3.43Å; T95-F99 VanDerWaalsContact O-N 3.1Å |
| 96 | M | 97.2 | Very high | 96.6 | Very high | 80 Ų | 80 | 32 Ų | 32 | 39% | 0.394 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -69.8 | -34 | -178.4 | -66.5 | 179.5 | 67.9 | 0 | 0 | 112 | P92 A98 F99 N100 W105 | P92-M96 HydrophobicContact CB-CG 4.4Å; P92-M96 HydrophobicContact CB-SD 3.94Å; P92-M96 WeakPolarHBondContact O-CB 3.32Å; P92-M96 WeakPolarHBondContact O-CG 3.28Å; P92-M96 PolarHBondContact O-N 3.09Å; M96-A98 VanDerWaalsContact C-N 3.31Å; M96-A98 PolarHBondContact O-N 3.25Å; M96-F99 PolarHBondContact O-N 3.03Å; M96-N100 WeakPolarHBondContact O-CB 3.42Å; M96-N100 PolarHBondContact O-N 3.33Å; M96-N100 PolarHBondContact O-ND2 2.97Å; M96-W105 HydrophobicContact CB-CZ2 3.79Å; M96-W105 HydrophobicContact CE-CH2 3.95Å; M96-W105 HydrophobicContact CE-CZ2 4.31Å; M96-W105 HydrophobicContact CG-CZ2 4.35Å; M96-W105 HydrophobicContact SD-CH2 3.72Å; M96-W105 HydrophobicContact SD-CZ2 3.82Å |
| 97 | A | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.3 | -42.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L93 K94 N100 N101 F102 W103 T186 | L93-A97 WeakPolarHBondContact O-CB 3.34Å; L93-A97 PolarHBondContact O-N 3.37Å; K94-A97 PolarHBondContact O-N 3.41Å; A97-N100 CarbonylContact O-C 3.58Å; A97-N100 PolarHBondContact O-N 3.28Å; A97-N101 PolarHBondContact O-N 3.41Å; A97-F102 CarbonylContact C-O 3.16Å; A97-F102 VanDerWaalsContact CA-O 3.24Å; A97-F102 WeakPolarHBondContact CA-O 3.35Å; A97-F102 WeakPolarHBondContact CB-O 3.3Å; A97-F102 PolarHBondContact O-N 2.97Å; A97-W103 HydrophobicContact CB-CE3 4.1Å; A97-T186 HydrophobicContact CB-CG2 4.48Å; A97-T186 VanDerWaalsContact CB-O 3.29Å; A97-T186 WeakPolarHBondContact CB-O 3.37Å; A97-T186 WeakPolarHBondContact O-CG2 3.45Å |
| 98 | A | 97.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.4 | -44.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q36 I39 K94 T95 M96 N100 N101 | Q36-A98 WeakPolarHBondContact CB-O 3.49Å; Q36-A98 WeakPolarHBondContact O-CB 3.21Å; I39-A98 HydrophobicContact CG2-CB 4.32Å; K94-A98 WeakPolarHBondContact O-CB 3.1Å; K94-A98 PolarHBondContact O-N 3.34Å; T95-A98 WeakPolarHBondContact O-CB 3.47Å; T95-A98 PolarHBondContact O-N 2.96Å; M96-A98 VanDerWaalsContact C-N 3.31Å; M96-A98 PolarHBondContact O-N 3.25Å; A98-N100 VanDerWaalsContact C-N 3.27Å; A98-N100 PolarHBondContact O-N 3.06Å; A98-N101 PolarHBondContact O-N 3.39Å |
| 99 | F | 97.1 | Very high | 96.6 | Very high | 87 Ų | 87 | 38.6 Ų | 38.6 | 38% | 0.382 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.5 | -27.2 | 174.8 | -74.2 | -64.8 | 0 | 0 | 0 | 114.1 | Y37 T95 M96 | Y37-F99 AromaticContact CD1-CD1 3.77Å; Y37-F99 HydrophobicContact CD1-CD1 3.77Å; Y37-F99 HydrophobicContact CD1-CE1 4.4Å; Y37-F99 HydrophobicContact CE1-CD1 4.47Å; Y37-F99 WeakPolarHBondContact CE1-O 3.34Å; Y37-F99 HydrophobicContact CG-CD1 4.35Å; T95-F99 HydrophobicContact CG2-CD2 3.86Å; T95-F99 HydrophobicContact CG2-CE2 3.63Å; T95-F99 WeakPolarHBondContact O-CD2 3.4Å; T95-F99 PolarHBondContact O-N 3.43Å; T95-F99 VanDerWaalsContact O-N 3.1Å; M96-F99 PolarHBondContact O-N 3.03Å |
| 100 | N | 95.6 | Very high | 96.7 | Very high | 71 Ų | 71 | 38.5 Ų | 38.5 | 38% | 0.38 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -82.8 | -12.3 | 172.7 | -73.3 | -25.4 | 0 | 0 | 0 | 113.3 | M96 A97 A98 F102 | M96-N100 WeakPolarHBondContact O-CB 3.42Å; M96-N100 PolarHBondContact O-N 3.33Å; M96-N100 PolarHBondContact O-ND2 2.97Å; A97-N100 CarbonylContact O-C 3.58Å; A97-N100 PolarHBondContact O-N 3.28Å; A98-N100 VanDerWaalsContact C-N 3.27Å; A98-N100 PolarHBondContact O-N 3.06Å; N100-F102 HydrophobicContact CB-CD1 4.26Å; N100-F102 HydrophobicContact CB-CE1 4.05Å; N100-F102 HydrophobicContact CB-CZ 4.28Å; N100-F102 WeakPolarHBondContact O-CD1 3.49Å; N100-F102 VanDerWaalsContact O-CE1 3.27Å; N100-F102 WeakPolarHBondContact O-CE1 3.25Å; N100-F102 PolarHBondContact O-N 3.41Å |
| 101 | N | 95.3 | Very high | 96.9 | Very high | 25 Ų | 25 | 39.2 Ų | 39.2 | 13% | 0.134 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | 9.1 | -171.3 | -51.7 | -75.2 | 0 | 0 | 0 | 115.5 | P33 Q36 A97 A98 | P33-N101 WeakPolarHBondContact CA-OD1 3.43Å; Q36-N101 WeakPolarHBondContact CB-OD1 3.48Å; Q36-N101 WeakPolarHBondContact CG-OD1 3.48Å; A97-N101 PolarHBondContact O-N 3.41Å; A98-N101 PolarHBondContact O-N 3.39Å |
| 102 | F | 95.8 | Very high | 97.1 | Very high | 38 Ų | 38 | 39.4 Ų | 39.4 | 17% | 0.167 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -156.2 | 169.1 | 177 | 62.5 | -92.7 | 0 | 0 | 0 | 110.4 | L10 M14 A97 N100 P104 Q185 | L10-F102 HydrophobicContact CD1-CB 3.94Å; L10-F102 HydrophobicContact CD2-CB 3.89Å; L10-F102 HydrophobicContact CD2-CD1 4.27Å; L10-F102 HydrophobicContact CD2-CG 4.39Å; L10-F102 HydrophobicContact CG-CB 4.42Å; M14-F102 HydrophobicContact CG-CB 3.81Å; M14-F102 HydrophobicContact CG-CD2 3.7Å; M14-F102 HydrophobicContact CG-CG 4.03Å; M14-F102 HydrophobicContact SD-CB 3.99Å; A97-F102 CarbonylContact C-O 3.16Å; A97-F102 VanDerWaalsContact CA-O 3.24Å; A97-F102 WeakPolarHBondContact CA-O 3.35Å; A97-F102 WeakPolarHBondContact CB-O 3.3Å; A97-F102 PolarHBondContact O-N 2.97Å; N100-F102 HydrophobicContact CB-CD1 4.26Å; N100-F102 HydrophobicContact CB-CE1 4.05Å; N100-F102 HydrophobicContact CB-CZ 4.28Å; N100-F102 WeakPolarHBondContact O-CD1 3.49Å; N100-F102 VanDerWaalsContact O-CE1 3.27Å; N100-F102 WeakPolarHBondContact O-CE1 3.25Å; N100-F102 PolarHBondContact O-N 3.41Å; F102-P104 HydrophobicContact CD2-CB 4.21Å; F102-P104 HydrophobicContact CE2-CB 3.7Å; F102-P104 WeakPolarHBondContact O-CD 3.2Å; F102-Q185 CarbonylContact C-O 3.56Å |
| 103 | W | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -82.2 | 105.9 | 173.7 | 179.6 | -94.9 | 0 | 0 | 0 | 110.8 | M14 L93 A97 W105 G106 A109 C110 Y113 T181 Q185 | M14-W103 HydrophobicContact CE-CB 4.09Å; L93-W103 HydrophobicContact CB-CH2 4.22Å; L93-W103 HydrophobicContact CB-CZ3 4.41Å; L93-W103 HydrophobicContact CD1-CH2 4.46Å; A97-W103 HydrophobicContact CB-CE3 4.1Å; W103-W105 HydrophobicContact CD2-CB 4.48Å; W103-W105 AromaticContact CD2-CD1 3.74Å; W103-W105 AromaticContact CE2-CD1 3.66Å; W103-W105 AromaticContact CE3-CD1 3.76Å; W103-W105 AromaticContact CH2-CD1 3.64Å; W103-W105 HydrophobicContact CH2-CG 4.39Å; W103-W105 HydrophobicContact CZ2-CB 3.74Å; W103-W105 AromaticContact CZ2-CD1 3.6Å; W103-W105 HydrophobicContact CZ2-CG 4.01Å; W103-W105 AromaticContact CZ3-CD1 3.72Å; W103-G106 PolarHBondContact NE1-O 3.41Å; W103-A109 HydrophobicContact CZ2-CB 3.83Å; W103-C110 HydrophobicContact CZ2-CB 4.34Å; W103-Y113 AromaticContact CH2-CD2 3.59Å; W103-Y113 HydrophobicContact CH2-CD2 3.59Å; W103-Y113 HydrophobicContact CH2-CE2 4.36Å; W103-Y113 AromaticContact CH2-CG 3.7Å; W103-Y113 HydrophobicContact CH2-CG 3.7Å; W103-Y113 AromaticContact CZ3-CD2 3.87Å; W103-Y113 HydrophobicContact CZ3-CD2 3.87Å; W103-Y113 HydrophobicContact CZ3-CE2 4.19Å; W103-Y113 HydrophobicContact CZ3-CG 4.12Å; W103-T181 HydrophobicContact CB-CG2 3.86Å; W103-T181 HydrophobicContact CG-CG2 4.06Å; W103-Q185 WeakPolarHBondContact CB-O 3.34Å; W103-Q185 PolarHBondContact N-O 3.36Å | ||
| 104 | P | 96.2 | Very high | 97.3 | Very high | 36 Ų | 36 | 35.6 Ų | 35.6 | 23% | 0.234 | 18% | 0.179 | C | C | . | . | trans | -88.9 | -5.1 | -173.9 | 38.7 | -40.1 | 0 | 0 | 0 | 113.5 | F102 | F102-P104 HydrophobicContact CD2-CB 4.21Å; F102-P104 HydrophobicContact CE2-CB 3.7Å; F102-P104 WeakPolarHBondContact O-CD 3.2Å | ||
| 105 | W | 96.6 | Very high | 97.3 | Very high | 87 Ų | 87 | 36.7 Ų | 36.7 | 33% | 0.33 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -90.1 | -4.6 | -161.5 | -49.7 | 108.7 | 0 | 0 | 0 | 114.6 | L93 M96 W103 A109 | L93-W105 HydrophobicContact CD2-CD2 3.81Å; L93-W105 HydrophobicContact CD2-CE3 4.3Å; L93-W105 HydrophobicContact CD2-CG 4.12Å; L93-W105 HydrophobicContact CD2-CH2 4.43Å; L93-W105 HydrophobicContact CD2-CZ2 3.93Å; L93-W105 PolarHBondContact O-NE1 3.13Å; M96-W105 HydrophobicContact CB-CZ2 3.79Å; M96-W105 HydrophobicContact CE-CH2 3.95Å; M96-W105 HydrophobicContact CE-CZ2 4.31Å; M96-W105 HydrophobicContact CG-CZ2 4.35Å; M96-W105 HydrophobicContact SD-CH2 3.72Å; M96-W105 HydrophobicContact SD-CZ2 3.82Å; W103-W105 HydrophobicContact CD2-CB 4.48Å; W103-W105 AromaticContact CD2-CD1 3.74Å; W103-W105 AromaticContact CE2-CD1 3.66Å; W103-W105 AromaticContact CE3-CD1 3.76Å; W103-W105 AromaticContact CH2-CD1 3.64Å; W103-W105 HydrophobicContact CH2-CG 4.39Å; W103-W105 HydrophobicContact CZ2-CB 3.74Å; W103-W105 AromaticContact CZ2-CD1 3.6Å; W103-W105 HydrophobicContact CZ2-CG 4.01Å; W103-W105 AromaticContact CZ3-CD1 3.72Å; W105-A109 HydrophobicContact CB-CB 3.39Å; W105-A109 HydrophobicContact CG-CB 4.47Å; W105-A109 WeakPolarHBondContact O-CB 3.31Å |
| 106 | G | 97.2 | Very high | 97.4 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | 76.1 | -179.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | D16 W103 C110 | D16-G106 WeakPolarHBondContact OD2-CA 3.42Å; W103-G106 PolarHBondContact NE1-O 3.41Å; G106-C110 PolarHBondContact O-N 3.15Å; G106-C110 VanDerWaalsContact O-N 3.13Å |
| 107 | K | 97.7 | Very high | 97.4 | Very high | 60 Ų | 60 | 33.8 Ų | 33.8 | 26% | 0.261 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.3 | -48.9 | -172.6 | 178.7 | 59.7 | 163.3 | 60.9 | 0 | 113.6 | D16 I20 A109 C110 D111 | D16-K107 HydrophobicContact CB-CB 3.86Å; D16-K107 PolarHBondContact OD2-N 3.42Å; I20-K107 HydrophobicContact CG2-CB 4.15Å; I20-K107 HydrophobicContact CG2-CD 3.37Å; I20-K107 HydrophobicContact CG2-CG 4.37Å; K107-A109 VanDerWaalsContact C-N 3.33Å; K107-A109 PolarHBondContact O-N 3.47Å; K107-C110 WeakPolarHBondContact O-CA 3.43Å; K107-C110 VanDerWaalsContact O-CB 3.26Å; K107-C110 WeakPolarHBondContact O-CB 3.34Å; K107-C110 PolarHBondContact O-N 2.83Å; K107-D111 IonicContact NZ-OD1 2.77Å; K107-D111 PolarHBondContact NZ-OD1 3.32Å; K107-D111 IonicContact NZ-OD2 2.67Å; K107-D111 PolarHBondContact NZ-OD2 3.47Å; K107-D111 PolarHBondContact O-N 3.03Å |
| 108 | L | 97.6 | Very high | 97.4 | Very high | 127 Ų | 127 | 34.6 Ų | 34.6 | 67% | 0.665 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -59.1 | -44.5 | -177.8 | 177.1 | 62.5 | 0 | 0 | 0 | 111.9 | C110 D111 L112 | L108-C110 VanDerWaalsContact C-N 3.29Å; L108-C110 PolarHBondContact O-N 3.39Å; L108-D111 PolarHBondContact O-N 2.63Å; L108-L112 HydrophobicContact CD1-CD1 4.22Å; L108-L112 HydrophobicContact CD1-CG 4.31Å; L108-L112 HydrophobicContact CG-CD1 4.21Å; L108-L112 WeakPolarHBondContact O-CG 3.3Å; L108-L112 PolarHBondContact O-N 3.17Å |
| 109 | A | 97.9 | Very high | 97.4 | Very high | 22 Ų | 22 | 35.7 Ų | 35.7 | 18% | 0.182 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.3 | -35.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | W103 W105 K107 L112 Y113 | W103-A109 HydrophobicContact CZ2-CB 3.83Å; W105-A109 HydrophobicContact CB-CB 3.39Å; W105-A109 HydrophobicContact CG-CB 4.47Å; W105-A109 WeakPolarHBondContact O-CB 3.31Å; K107-A109 VanDerWaalsContact C-N 3.33Å; K107-A109 PolarHBondContact O-N 3.47Å; A109-L112 PolarHBondContact O-N 2.94Å; A109-Y113 WeakPolarHBondContact O-CB 3.21Å; A109-Y113 PolarHBondContact O-N 3.13Å |
| 110 | C | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.9 | -46.2 | 176.2 | -172.2 | 0 | 0 | 0 | 0 | 111.3 | I20 W103 G106 K107 L108 Y113 G114 C188 | I20-C110 HydrophobicContact CG2-CB 3.94Å; W103-C110 HydrophobicContact CZ2-CB 4.34Å; G106-C110 PolarHBondContact O-N 3.15Å; G106-C110 VanDerWaalsContact O-N 3.13Å; K107-C110 WeakPolarHBondContact O-CA 3.43Å; K107-C110 VanDerWaalsContact O-CB 3.26Å; K107-C110 WeakPolarHBondContact O-CB 3.34Å; K107-C110 PolarHBondContact O-N 2.83Å; L108-C110 VanDerWaalsContact C-N 3.29Å; L108-C110 PolarHBondContact O-N 3.39Å; C110-Y113 PolarHBondContact O-N 2.91Å; C110-G114 PolarHBondContact O-N 3.21Å; C110-C188 WeakPolarHBondContact CA-SG 3.48Å; C110-C188 HydrophobicContact CB-CB 4Å; C110-C188 WeakPolarHBondContact CB-SG 3.08Å; C110-C188 VanDerWaalsContact O-CB 3.3Å; C110-C188 WeakPolarHBondContact O-CB 3.28Å; C110-C188 WeakPolarHBondContact SG-CB 3.35Å; C110-C188 CovalentContact SG-SG 2.02Å; C110-C188 PolarHBondContact SG-SG 3.1Å |
| 111 | D | 98.3 | Very high | 97.5 | Very high | 18 Ų | 18 | 29.8 Ų | 29.8 | 10% | 0.096 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.1 | -47.6 | 176.1 | -69.7 | -26.9 | 0 | 0 | 0 | 111.8 | K107 L108 G114 L115 L173 Y179 | K107-D111 IonicContact NZ-OD1 2.77Å; K107-D111 PolarHBondContact NZ-OD1 3.32Å; K107-D111 IonicContact NZ-OD2 2.67Å; K107-D111 PolarHBondContact NZ-OD2 3.47Å; K107-D111 PolarHBondContact O-N 3.03Å; L108-D111 PolarHBondContact O-N 2.63Å; D111-G114 PolarHBondContact O-N 2.91Å; D111-L115 VanDerWaalsContact O-CB 3.29Å; D111-L115 WeakPolarHBondContact O-CB 3.01Å; D111-L115 PolarHBondContact O-N 3.22Å; D111-L173 HydrophobicContact CB-CD2 3.71Å; D111-Y179 WeakPolarHBondContact O-CD2 3.31Å |
| 112 | L | 98.2 | Very high | 97.6 | Very high | 86 Ų | 86 | 29.6 Ų | 29.6 | 45% | 0.45 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -67.7 | -35.9 | 178.7 | -67.9 | 176.9 | 0 | 0 | 0 | 112.5 | L108 A109 L115 A116 | L108-L112 HydrophobicContact CD1-CD1 4.22Å; L108-L112 HydrophobicContact CD1-CG 4.31Å; L108-L112 HydrophobicContact CG-CD1 4.21Å; L108-L112 WeakPolarHBondContact O-CG 3.3Å; L108-L112 PolarHBondContact O-N 3.17Å; A109-L112 PolarHBondContact O-N 2.94Å; L112-L115 HydrophobicContact CD2-CD2 4.45Å; L112-A116 WeakPolarHBondContact O-CB 3.19Å; L112-A116 PolarHBondContact O-N 3.47Å |
| 113 | Y | 98.5 | Very high | 97.8 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.008 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.6 | -48 | 175.1 | -177.3 | -78.5 | 0 | 0 | 0 | 110.8 | V88 I89 L93 K94 W103 A109 C110 A116 G117 C188 K310 | V88-Y113 HydrophobicContact CG1-CD2 4.37Å; V88-Y113 WeakPolarHBondContact O-CD2 3.46Å; V88-Y113 WeakPolarHBondContact O-CE2 3.39Å; I89-Y113 HydrophobicContact CB-CE2 4.43Å; I89-Y113 HydrophobicContact CD1-CD1 4.01Å; I89-Y113 HydrophobicContact CD1-CD2 4.06Å; I89-Y113 HydrophobicContact CD1-CE1 3.9Å; I89-Y113 HydrophobicContact CD1-CE2 3.98Å; I89-Y113 HydrophobicContact CD1-CG 4.08Å; I89-Y113 WeakPolarHBondContact CD1-O 3.37Å; I89-Y113 HydrophobicContact CG2-CE1 4.3Å; I89-Y113 HydrophobicContact CG2-CE2 4.46Å; I89-Y113 VanDerWaalsContact CG2-OH 3.22Å; I89-Y113 WeakPolarHBondContact CG2-OH 3.12Å; I89-Y113 PolarHBondContact O-OH 3.34Å; L93-Y113 HydrophobicContact CB-CD2 4.06Å; L93-Y113 HydrophobicContact CB-CE2 4.22Å; L93-Y113 HydrophobicContact CD1-CD2 3.97Å; K94-Y113 HydrophobicContact CB-CE2 4.08Å; K94-Y113 WeakPolarHBondContact CB-OH 3.39Å; W103-Y113 AromaticContact CH2-CD2 3.59Å; W103-Y113 HydrophobicContact CH2-CD2 3.59Å; W103-Y113 HydrophobicContact CH2-CE2 4.36Å; W103-Y113 AromaticContact CH2-CG 3.7Å; W103-Y113 HydrophobicContact CH2-CG 3.7Å; W103-Y113 AromaticContact CZ3-CD2 3.87Å; W103-Y113 HydrophobicContact CZ3-CD2 3.87Å; W103-Y113 HydrophobicContact CZ3-CE2 4.19Å; W103-Y113 HydrophobicContact CZ3-CG 4.12Å; A109-Y113 WeakPolarHBondContact O-CB 3.21Å; A109-Y113 PolarHBondContact O-N 3.13Å; C110-Y113 PolarHBondContact O-N 2.91Å; Y113-A116 PolarHBondContact O-N 3.04Å; Y113-G117 PolarHBondContact O-N 3.38Å; Y113-C188 HydrophobicContact CD1-CB 3.95Å; Y113-C188 WeakPolarHBondContact CD1-O 3.25Å; Y113-C188 VanDerWaalsContact CE1-O 3.3Å; Y113-C188 WeakPolarHBondContact CE1-O 3.5Å; Y113-K310 PolarHBondContact OH-NZ 2.75Å |
| 114 | G | 98.1 | Very high | 97.8 | Very high | 4 Ų | 4 | 28 Ų | 28 | 4% | 0.041 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.9 | -47.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | C110 D111 A116 G117 G118 | C110-G114 PolarHBondContact O-N 3.21Å; D111-G114 PolarHBondContact O-N 2.91Å; G114-A116 PolarHBondContact O-N 2.88Å; G114-G117 PolarHBondContact O-N 2.92Å; G114-G118 PolarHBondContact O-N 3.47Å |
| 115 | L | 98.4 | Very high | 97.8 | Very high | 23 Ų | 23 | 26.3 Ų | 26.3 | 12% | 0.12 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -55.5 | -52.6 | 174.9 | 173.9 | 70.1 | 0 | 0 | 0 | 111.6 | D111 L112 G117 G118 L119 L166 T169 I170 L173 Y179 | D111-L115 VanDerWaalsContact O-CB 3.29Å; D111-L115 WeakPolarHBondContact O-CB 3.01Å; D111-L115 PolarHBondContact O-N 3.22Å; L112-L115 HydrophobicContact CD2-CD2 4.45Å; L115-G117 VanDerWaalsContact C-N 3.33Å; L115-G117 PolarHBondContact O-N 3.4Å; L115-G118 PolarHBondContact O-N 2.94Å; L115-L119 WeakPolarHBondContact O-CB 3.41Å; L115-L119 PolarHBondContact O-N 3.27Å; L115-L166 HydrophobicContact CD1-CD1 4.42Å; L115-T169 WeakPolarHBondContact CD1-O 3.45Å; L115-T169 WeakPolarHBondContact CD1-OG1 3.37Å; L115-I170 HydrophobicContact CD1-CB 4.47Å; L115-L173 HydrophobicContact CD2-CD1 3.9Å; L115-Y179 HydrophobicContact CB-CE2 3.9Å |
| 116 | A | 98.3 | Very high | 97.9 | Very high | 11 Ų | 11 | 22.3 Ų | 22.3 | 9% | 0.091 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.9 | -41 | -177 | 0 | 0 | 0 | 0 | 0 | 111.6 | V88 I89 L112 Y113 G114 L119 F120 | V88-A116 HydrophobicContact CB-CB 4.03Å; V88-A116 HydrophobicContact CG1-CB 3.68Å; V88-A116 HydrophobicContact CG2-CB 4.23Å; I89-A116 HydrophobicContact CD1-CB 4.35Å; L112-A116 WeakPolarHBondContact O-CB 3.19Å; L112-A116 PolarHBondContact O-N 3.47Å; Y113-A116 PolarHBondContact O-N 3.04Å; G114-A116 PolarHBondContact O-N 2.88Å; A116-L119 PolarHBondContact O-N 2.63Å; A116-F120 HydrophobicContact CB-CD2 4.12Å; A116-F120 HydrophobicContact CB-CE2 3.94Å; A116-F120 WeakPolarHBondContact O-CB 3.47Å; A116-F120 WeakPolarHBondContact O-CD2 3.23Å; A116-F120 PolarHBondContact O-N 3.34Å |
| 117 | G | 97.3 | Very high | 97.9 | Very high | 12 Ų | 12 | 22.3 Ų | 22.3 | 12% | 0.124 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.9 | -46.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I89 Y113 G114 L115 G121 | I89-G117 VanDerWaalsContact CD1-CA 3.47Å; Y113-G117 PolarHBondContact O-N 3.38Å; G114-G117 PolarHBondContact O-N 2.92Å; L115-G117 VanDerWaalsContact C-N 3.33Å; L115-G117 PolarHBondContact O-N 3.4Å; G117-G121 PolarHBondContact O-N 2.94Å; G117-G121 VanDerWaalsContact O-N 3.09Å |
| 118 | G | 97.1 | Very high | 97.9 | Very high | 17 Ų | 17 | 19.6 Ų | 19.6 | 18% | 0.175 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.6 | -51.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G114 L115 F120 G121 F122 T169 | G114-G118 PolarHBondContact O-N 3.47Å; L115-G118 PolarHBondContact O-N 2.94Å; G118-F120 PolarHBondContact O-N 2.93Å; G118-G121 PolarHBondContact O-N 3.37Å; G118-F122 WeakPolarHBondContact O-CD2 3.44Å; G118-F122 WeakPolarHBondContact O-CG 3.11Å; G118-F122 PolarHBondContact O-N 3.5Å; G118-T169 VanDerWaalsContact C-CG2 3.46Å |
| 119 | L | 98.4 | Very high | 97.9 | Very high | 22 Ų | 22 | 13.7 Ų | 13.7 | 12% | 0.115 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -55.5 | -57 | -176.4 | 175.2 | 61.5 | 0 | 0 | 0 | 111.7 | L115 A116 G121 F122 V123 W162 L166 | L115-L119 WeakPolarHBondContact O-CB 3.41Å; L115-L119 PolarHBondContact O-N 3.27Å; A116-L119 PolarHBondContact O-N 2.63Å; L119-G121 VanDerWaalsContact C-N 3.34Å; L119-G121 PolarHBondContact O-N 2.62Å; L119-F122 PolarHBondContact O-N 2.88Å; L119-V123 HydrophobicContact CD1-CG2 4.04Å; L119-V123 WeakPolarHBondContact O-CB 3.34Å; L119-V123 VanDerWaalsContact O-CG2 3.27Å; L119-V123 WeakPolarHBondContact O-CG2 3.25Å; L119-V123 PolarHBondContact O-N 3.47Å; L119-W162 HydrophobicContact CD1-CE3 4.37Å; L119-W162 HydrophobicContact CD2-CZ3 4.29Å; L119-W162 HydrophobicContact CG-CZ3 4.39Å; L119-L166 HydrophobicContact CD1-CB 4.13Å; L119-L166 HydrophobicContact CD1-CD1 4.4Å; L119-L166 HydrophobicContact CD2-CD1 4.44Å |
| 120 | F | 98.3 | Very high | 97.8 | Very high | 31 Ų | 31 | 13 Ų | 13 | 14% | 0.136 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -68.8 | -34.9 | -178.8 | -61.8 | -56.1 | 0 | 0 | 0 | 111.6 | S81 G84 F85 V88 A116 G118 F122 V123 S124 W162 | S81-F120 WeakPolarHBondContact O-CB 3.32Å; S81-F120 WeakPolarHBondContact O-CD1 3.43Å; S81-F120 WeakPolarHBondContact O-CG 3.49Å; S81-F120 WeakPolarHBondContact OG-CA 3.46Å; S81-F120 PolarHBondContact OG-O 3.49Å; G84-F120 WeakPolarHBondContact O-CE2 3.48Å; F85-F120 HydrophobicContact CB-CB 3.75Å; F85-F120 HydrophobicContact CB-CD2 4.32Å; F85-F120 HydrophobicContact CB-CG 4.31Å; F85-F120 HydrophobicContact CD2-CB 4.02Å; F85-F120 HydrophobicContact CG-CB 4.4Å; F85-F120 VanDerWaalsContact N-CD2 3.29Å; V88-F120 HydrophobicContact CG2-CE2 4.37Å; A116-F120 HydrophobicContact CB-CD2 4.12Å; A116-F120 HydrophobicContact CB-CE2 3.94Å; A116-F120 WeakPolarHBondContact O-CB 3.47Å; A116-F120 WeakPolarHBondContact O-CD2 3.23Å; A116-F120 PolarHBondContact O-N 3.34Å; G118-F120 PolarHBondContact O-N 2.93Å; F120-F122 PolarHBondContact O-N 3.32Å; F120-V123 PolarHBondContact O-N 3.44Å; F120-S124 WeakPolarHBondContact O-CB 3.5Å; F120-S124 PolarHBondContact O-N 3.36Å; F120-S124 PolarHBondContact O-OG 3.32Å; F120-S124 VanDerWaalsContact O-OG 3.07Å; F120-W162 AromaticContact CD1-CH2 3.95Å; F120-W162 HydrophobicContact CD1-CH2 3.95Å; F120-W162 HydrophobicContact CD1-CZ3 4.13Å; F120-W162 AromaticContact CE1-CH2 3.71Å; F120-W162 HydrophobicContact CE1-CH2 3.71Å; F120-W162 AromaticContact CE1-CZ3 3.85Å; F120-W162 HydrophobicContact CE1-CZ3 3.85Å |
| 121 | G | 96.8 | Very high | 97.6 | Very high | 3 Ų | 3 | 13.3 Ų | 13.3 | 3% | 0.031 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -58 | -45.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G117 G118 L119 L125 Y275 | G117-G121 PolarHBondContact O-N 2.94Å; G117-G121 VanDerWaalsContact O-N 3.09Å; G118-G121 PolarHBondContact O-N 3.37Å; L119-G121 VanDerWaalsContact C-N 3.34Å; L119-G121 PolarHBondContact O-N 2.62Å; G121-L125 PolarHBondContact O-N 3.17Å; G121-Y275 PolarHBondContact O-OH 3.5Å |
| 122 | F | 97.8 | Very high | 97.5 | Very high | 22 Ų | 22 | 12.5 Ų | 12.5 | 10% | 0.096 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -79 | -33.3 | 179.7 | -62 | -49.3 | 0 | 0 | 0 | 113.5 | G118 L119 F120 S124 L125 S126 T169 L206 G210 F211 | G118-F122 WeakPolarHBondContact O-CD2 3.44Å; G118-F122 WeakPolarHBondContact O-CG 3.11Å; G118-F122 PolarHBondContact O-N 3.5Å; L119-F122 PolarHBondContact O-N 2.88Å; F120-F122 PolarHBondContact O-N 3.32Å; F122-S124 VanDerWaalsContact C-N 3.27Å; F122-S124 PolarHBondContact O-N 2.99Å; F122-L125 PolarHBondContact O-N 3Å; F122-S126 WeakPolarHBondContact O-CB 3.39Å; F122-S126 PolarHBondContact O-N 3.37Å; F122-S126 PolarHBondContact O-OG 3.38Å; F122-T169 HydrophobicContact CD2-CG2 3.43Å; F122-T169 VanDerWaalsContact CD2-CG2 3.43Å; F122-T169 HydrophobicContact CE2-CG2 3.72Å; F122-L206 HydrophobicContact CD2-CD1 4.06Å; F122-L206 HydrophobicContact CE2-CD1 3.22Å; F122-L206 HydrophobicContact CE2-CD2 4.34Å; F122-L206 HydrophobicContact CE2-CG 3.84Å; F122-L206 HydrophobicContact CZ-CD1 3.65Å; F122-L206 HydrophobicContact CZ-CD2 4.37Å; F122-L206 HydrophobicContact CZ-CG 3.77Å; F122-G210 VanDerWaalsContact CD1-C 3.49Å; F122-G210 WeakPolarHBondContact CD1-O 3.33Å; F122-F211 HydrophobicContact CE1-CB 4.09Å |
| 123 | V | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -60.9 | -41.6 | 170.8 | 169.9 | 0 | 0 | 0 | 0 | 109.5 | L119 F120 T127 W162 S165 | L119-V123 HydrophobicContact CD1-CG2 4.04Å; L119-V123 WeakPolarHBondContact O-CB 3.34Å; L119-V123 VanDerWaalsContact O-CG2 3.27Å; L119-V123 WeakPolarHBondContact O-CG2 3.25Å; L119-V123 PolarHBondContact O-N 3.47Å; F120-V123 PolarHBondContact O-N 3.44Å; V123-T127 VanDerWaalsContact O-CB 3.23Å; V123-T127 WeakPolarHBondContact O-CB 3.36Å; V123-T127 PolarHBondContact O-N 3.35Å; V123-T127 PolarHBondContact O-OG1 3.15Å; V123-W162 HydrophobicContact CG1-CD2 4.36Å; V123-W162 HydrophobicContact CG1-CZ2 4.08Å; V123-W162 HydrophobicContact CG2-CD2 3.97Å; V123-W162 HydrophobicContact CG2-CE3 3.87Å; V123-W162 HydrophobicContact CG2-CG 4.44Å; V123-W162 HydrophobicContact CG2-CZ3 4.22Å; V123-S165 WeakPolarHBondContact CA-OG 3.49Å; V123-S165 WeakPolarHBondContact CG2-OG 3.43Å; V123-S165 PolarHBondContact N-OG 3.26Å |
| 124 | S | 97.7 | Very high | 97 | Very high | 4 Ų | 4 | 12.4 Ų | 12.4 | 3% | 0.028 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.8 | -49.7 | 177.8 | -67.4 | 0 | 0 | 0 | 0 | 111.9 | L78 S81 D82 F120 F122 T127 I128 | L78-S124 VanDerWaalsContact CD1-CA 3.44Å; L78-S124 VanDerWaalsContact CD1-CB 3.49Å; S81-S124 WeakPolarHBondContact CB-OG 3.34Å; S81-S124 PolarHBondContact OG-OG 3.43Å; D82-S124 PolarHBondContact OD1-OG 2.93Å; F120-S124 WeakPolarHBondContact O-CB 3.5Å; F120-S124 PolarHBondContact O-N 3.36Å; F120-S124 PolarHBondContact O-OG 3.32Å; F120-S124 VanDerWaalsContact O-OG 3.07Å; F122-S124 VanDerWaalsContact C-N 3.27Å; F122-S124 PolarHBondContact O-N 2.99Å; S124-T127 PolarHBondContact O-N 2.79Å; S124-I128 WeakPolarHBondContact O-CG1 3.24Å; S124-I128 PolarHBondContact O-N 3.04Å; S124-I128 VanDerWaalsContact O-N 3.09Å |
| 125 | L | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -63.7 | -45.6 | 177.3 | -178.2 | 57.1 | 0 | 0 | 0 | 112.7 | G121 F122 T127 I128 A129 F211 P214 L272 Y275 | G121-L125 PolarHBondContact O-N 3.17Å; F122-L125 PolarHBondContact O-N 3Å; L125-T127 VanDerWaalsContact C-N 3.26Å; L125-T127 PolarHBondContact O-N 3.4Å; L125-I128 WeakPolarHBondContact O-CB 3.31Å; L125-I128 PolarHBondContact O-N 3.09Å; L125-I128 VanDerWaalsContact O-N 3.11Å; L125-A129 PolarHBondContact O-N 2.79Å; L125-F211 HydrophobicContact CD2-CD2 3.8Å; L125-F211 HydrophobicContact CD2-CE2 4.27Å; L125-F211 HydrophobicContact CD2-CG 4.45Å; L125-F211 WeakPolarHBondContact CD2-O 3.23Å; L125-P214 HydrophobicContact CD2-CB 4.47Å; L125-P214 HydrophobicContact CD2-CG 3.85Å; L125-P214 HydrophobicContact CG-CB 4.09Å; L125-P214 HydrophobicContact CG-CG 3.97Å; L125-L272 HydrophobicContact CD1-CD1 4.26Å; L125-Y275 HydrophobicContact CB-CE1 4.02Å; L125-Y275 HydrophobicContact CB-CE2 4.05Å; L125-Y275 HydrophobicContact CD1-CD1 3.94Å; L125-Y275 HydrophobicContact CD1-CE1 3.87Å; L125-Y275 HydrophobicContact CD2-CE1 3.9Å; L125-Y275 HydrophobicContact CG-CE1 4.13Å |
| 126 | S | 97.8 | Very high | 96.3 | Very high | 4 Ų | 4 | 13.3 Ų | 13.3 | 3% | 0.028 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -65.7 | -32.2 | 179.6 | -54.8 | 0 | 0 | 0 | 0 | 111.4 | F122 A129 A130 | F122-S126 WeakPolarHBondContact O-CB 3.39Å; F122-S126 PolarHBondContact O-N 3.37Å; F122-S126 PolarHBondContact O-OG 3.38Å; S126-A129 PolarHBondContact O-N 3Å; S126-A130 WeakPolarHBondContact O-CB 3.15Å; S126-A130 PolarHBondContact O-N 3.24Å |
| 127 | T | 97.6 | Very high | 96 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.006 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -66.2 | -41.4 | 171.8 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | L74 N77 L78 V123 S124 L125 A129 A130 V131 | L74-T127 HydrophobicContact CB-CG2 4.28Å; L74-T127 WeakPolarHBondContact O-CG2 3.34Å; N77-T127 HydrophobicContact CB-CG2 4.43Å; N77-T127 PolarHBondContact ND2-OG1 3.36Å; L78-T127 HydrophobicContact CB-CG2 4.03Å; V123-T127 VanDerWaalsContact O-CB 3.23Å; V123-T127 WeakPolarHBondContact O-CB 3.36Å; V123-T127 PolarHBondContact O-N 3.35Å; V123-T127 PolarHBondContact O-OG1 3.15Å; S124-T127 PolarHBondContact O-N 2.79Å; L125-T127 VanDerWaalsContact C-N 3.26Å; L125-T127 PolarHBondContact O-N 3.4Å; T127-A129 VanDerWaalsContact C-N 3.32Å; T127-A129 PolarHBondContact O-N 3.32Å; T127-A130 PolarHBondContact O-N 3.28Å; T127-V131 WeakPolarHBondContact O-CG2 3.05Å; T127-V131 PolarHBondContact O-N 2.89Å |
| 128 | I | 96.9 | Very high | 95.4 | Very high | 3 Ų | 3 | 15.7 Ų | 15.7 | 2% | 0.015 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.2 | -42.9 | 173.7 | -66.7 | 166.5 | 0 | 0 | 0 | 110.5 | L78 S124 L125 V131 A132 L271 L272 Y275 | L78-I128 HydrophobicContact CD2-CG1 4.3Å; S124-I128 WeakPolarHBondContact O-CG1 3.24Å; S124-I128 PolarHBondContact O-N 3.04Å; S124-I128 VanDerWaalsContact O-N 3.09Å; L125-I128 WeakPolarHBondContact O-CB 3.31Å; L125-I128 PolarHBondContact O-N 3.09Å; L125-I128 VanDerWaalsContact O-N 3.11Å; I128-V131 PolarHBondContact O-N 3.23Å; I128-A132 WeakPolarHBondContact O-CB 3.41Å; I128-A132 PolarHBondContact O-N 3.45Å; I128-L271 HydrophobicContact CD1-CB 4.1Å; I128-L271 HydrophobicContact CG1-CB 4.47Å; I128-L272 HydrophobicContact CG2-CB 3.88Å; I128-L272 HydrophobicContact CG2-CD1 4.09Å; I128-Y275 HydrophobicContact CD1-CD2 4.44Å |
| 129 | A | 97.5 | Very high | 94.9 | Very high | 3 Ų | 3 | 15.2 Ų | 15.2 | 3% | 0.025 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.5 | -44.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L125 S126 T127 V131 A132 L133 P214 L217 S218 | L125-A129 PolarHBondContact O-N 2.79Å; S126-A129 PolarHBondContact O-N 3Å; T127-A129 VanDerWaalsContact C-N 3.32Å; T127-A129 PolarHBondContact O-N 3.32Å; A129-V131 PolarHBondContact O-N 2.89Å; A129-A132 PolarHBondContact O-N 3.31Å; A129-L133 WeakPolarHBondContact O-CB 3.23Å; A129-L133 PolarHBondContact O-N 3.23Å; A129-P214 HydrophobicContact CB-CB 3.83Å; A129-P214 WeakPolarHBondContact CB-O 3.48Å; A129-L217 HydrophobicContact CB-CD2 4.22Å; A129-L217 HydrophobicContact CB-CG 4.47Å; A129-S218 WeakPolarHBondContact CA-OG 3.27Å; A129-S218 VanDerWaalsContact CB-OG 3.3Å; A129-S218 WeakPolarHBondContact CB-OG 3.24Å; A129-S218 PolarHBondContact N-OG 3.32Å |
| 130 | A | 96 | Very high | 94.4 | Very high | 7 Ų | 7 | 15.3 Ų | 15.3 | 6% | 0.058 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -59.6 | -43.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S126 T127 L133 D134 L157 L161 | S126-A130 WeakPolarHBondContact O-CB 3.15Å; S126-A130 PolarHBondContact O-N 3.24Å; T127-A130 PolarHBondContact O-N 3.28Å; A130-L133 PolarHBondContact O-N 3.19Å; A130-D134 VanDerWaalsContact O-CB 3.25Å; A130-D134 WeakPolarHBondContact O-CB 3.34Å; A130-D134 PolarHBondContact O-N 3.02Å; A130-L157 HydrophobicContact CB-CD1 4.38Å; A130-L157 HydrophobicContact CB-CD2 3.81Å; A130-L157 HydrophobicContact CB-CG 4.18Å; A130-L161 HydrophobicContact CB-CD1 3.77Å; A130-L161 HydrophobicContact CB-CD2 4.11Å |
| 131 | V | 94.7 | Very high | 93.7 | Very high | 7 Ų | 7 | 15.5 Ų | 15.5 | 4% | 0.042 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.7 | -47.8 | 174.1 | 172.7 | 0 | 0 | 0 | 0 | 110.5 | L74 T127 I128 A129 L133 D134 R135 V264 S268 | L74-V131 HydrophobicContact CB-CG2 3.73Å; L74-V131 HydrophobicContact CD1-CB 4.46Å; L74-V131 HydrophobicContact CD1-CG2 3.57Å; L74-V131 HydrophobicContact CG-CG2 4.27Å; T127-V131 WeakPolarHBondContact O-CG2 3.05Å; T127-V131 PolarHBondContact O-N 2.89Å; I128-V131 PolarHBondContact O-N 3.23Å; A129-V131 PolarHBondContact O-N 2.89Å; V131-L133 VanDerWaalsContact C-N 3.32Å; V131-L133 PolarHBondContact O-N 2.92Å; V131-D134 PolarHBondContact O-N 3.33Å; V131-R135 HydrophobicContact CG1-CG 4.16Å; V131-R135 WeakPolarHBondContact O-CB 3.46Å; V131-R135 WeakPolarHBondContact O-CG 3.21Å; V131-R135 PolarHBondContact O-N 2.78Å; V131-V264 HydrophobicContact CG1-CG1 3.42Å; V131-V264 VanDerWaalsContact CG1-CG1 3.42Å; V131-V264 HydrophobicContact CG2-CG1 4.27Å; V131-S268 VanDerWaalsContact CG1-OG 3.23Å; V131-S268 WeakPolarHBondContact CG1-OG 3.44Å |
| 132 | A | 95.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.7 | -43.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I128 A129 Y136 C221 Y222 | I128-A132 WeakPolarHBondContact O-CB 3.41Å; I128-A132 PolarHBondContact O-N 3.45Å; A129-A132 PolarHBondContact O-N 3.31Å; A132-Y136 VanDerWaalsContact O-CB 3.3Å; A132-Y136 WeakPolarHBondContact O-CB 3.33Å; A132-Y136 PolarHBondContact O-N 3.43Å; A132-C221 HydrophobicContact CB-CB 3.73Å; A132-C221 WeakPolarHBondContact O-CB 3.02Å; A132-Y222 HydrophobicContact CB-CD2 4.17Å; A132-Y222 HydrophobicContact CB-CE1 4.18Å; A132-Y222 HydrophobicContact CB-CE2 3.65Å |
| 133 | L | 94.8 | Very high | 91.5 | Very high | 62 Ų | 62 | 22.8 Ų | 22.8 | 33% | 0.325 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -64.1 | -50 | 177 | 177.7 | 61 | 0 | 0 | 0 | 112 | A129 A130 V131 R135 Y136 L137 L217 C221 | A129-L133 WeakPolarHBondContact O-CB 3.23Å; A129-L133 PolarHBondContact O-N 3.23Å; A130-L133 PolarHBondContact O-N 3.19Å; V131-L133 VanDerWaalsContact C-N 3.32Å; V131-L133 PolarHBondContact O-N 2.92Å; L133-R135 VanDerWaalsContact C-N 3.31Å; L133-R135 PolarHBondContact O-N 3.08Å; L133-Y136 HydrophobicContact CD1-CD1 4.45Å; L133-Y136 PolarHBondContact O-N 3.42Å; L133-Y136 VanDerWaalsContact O-N 3.15Å; L133-L137 HydrophobicContact CD1-CD1 4.04Å; L133-L137 HydrophobicContact CD1-CD2 4.46Å; L133-L137 HydrophobicContact CD1-CG 4.03Å; L133-L137 HydrophobicContact CG-CD1 4.05Å; L133-L137 HydrophobicContact CG-CG 4.44Å; L133-L137 WeakPolarHBondContact O-CG 3.38Å; L133-L137 PolarHBondContact O-N 3.34Å; L133-L217 HydrophobicContact CD1-CD1 4.47Å; L133-L217 HydrophobicContact CD2-CD2 4.41Å; L133-C221 VanDerWaalsContact CA-SG 3.57Å |
| 134 | D | 91.4 | Very high | 90.4 | Very high | 24 Ų | 24 | 27.3 Ų | 27.3 | 13% | 0.128 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.2 | -45.6 | 177.9 | 168.2 | 84.2 | 0 | 0 | 0 | 111.2 | A130 V131 Y136 L137 V138 T149 | A130-D134 VanDerWaalsContact O-CB 3.25Å; A130-D134 WeakPolarHBondContact O-CB 3.34Å; A130-D134 PolarHBondContact O-N 3.02Å; V131-D134 PolarHBondContact O-N 3.33Å; D134-Y136 PolarHBondContact O-N 3.15Å; D134-L137 PolarHBondContact O-N 3.37Å; D134-V138 WeakPolarHBondContact O-CG2 3.33Å; D134-V138 PolarHBondContact O-N 2.96Å; D134-V138 VanDerWaalsContact O-N 3.08Å; D134-T149 VanDerWaalsContact CG-OG1 3.32Å; D134-T149 WeakPolarHBondContact OD1-CB 3.37Å; D134-T149 WeakPolarHBondContact OD1-CG2 3.29Å; D134-T149 PolarHBondContact OD1-OG1 3.21Å; D134-T149 PolarHBondContact OD2-OG1 3.42Å |
| 135 | R | 91 | Very high | 89.2 | Confident | 6 Ų | 6 | 30 Ų | 30 | 2% | 0.023 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.3 | -38.4 | 176.2 | -63.7 | -59.2 | 88.8 | -167 | 14.9 | 112.6 | S71 V131 L133 I139 T149 I225 D261 L265 | S71-R135 PolarHBondContact OG-NH2 2.92Å; V131-R135 HydrophobicContact CG1-CG 4.16Å; V131-R135 WeakPolarHBondContact O-CB 3.46Å; V131-R135 WeakPolarHBondContact O-CG 3.21Å; V131-R135 PolarHBondContact O-N 2.78Å; L133-R135 VanDerWaalsContact C-N 3.31Å; L133-R135 PolarHBondContact O-N 3.08Å; R135-I139 VanDerWaalsContact O-CB 3.32Å; R135-I139 WeakPolarHBondContact O-CB 3.49Å; R135-I139 WeakPolarHBondContact O-CD1 3.43Å; R135-I139 WeakPolarHBondContact O-CG1 3.46Å; R135-I139 PolarHBondContact O-N 3.48Å; R135-T149 PolarHBondContact NH2-OG1 3.32Å; R135-I225 HydrophobicContact CB-CD1 4.14Å; R135-D261 IonicContact CZ-OD1 3.4Å; R135-D261 IonicContact CZ-OD2 3.98Å; R135-D261 IonicContact NH1-OD1 3.44Å; R135-D261 IonicContact NH1-OD2 3.74Å; R135-D261 PolarHBondContact NH1-OD2 3.31Å; R135-D261 IonicContact NH2-OD1 3.68Å; R135-D261 IonicContact NH2-OD2 3.92Å; R135-L265 HydrophobicContact CB-CD1 3.76Å; R135-L265 HydrophobicContact CG-CB 3.92Å; R135-L265 HydrophobicContact CG-CD1 3.98Å |
| 136 | Y | 91.8 | Very high | 88.2 | Confident | 41 Ų | 41 | 33.7 Ų | 33.7 | 16% | 0.161 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.8 | -48.8 | 176.6 | 167.1 | -115.6 | 0 | 0 | 0 | 111.2 | A132 L133 D134 V138 I139 A140 F220 R224 I225 I228 | A132-Y136 VanDerWaalsContact O-CB 3.3Å; A132-Y136 WeakPolarHBondContact O-CB 3.33Å; A132-Y136 PolarHBondContact O-N 3.43Å; L133-Y136 HydrophobicContact CD1-CD1 4.45Å; L133-Y136 PolarHBondContact O-N 3.42Å; L133-Y136 VanDerWaalsContact O-N 3.15Å; D134-Y136 PolarHBondContact O-N 3.15Å; Y136-V138 PolarHBondContact O-N 2.86Å; Y136-I139 PolarHBondContact O-N 2.88Å; Y136-A140 HydrophobicContact CD2-CB 4.21Å; Y136-A140 HydrophobicContact CE2-CB 3.81Å; Y136-A140 WeakPolarHBondContact O-CB 3.18Å; Y136-A140 PolarHBondContact O-N 3.48Å; Y136-F220 HydrophobicContact CE1-CE1 4.29Å; Y136-R224 HydrophobicContact CD2-CB 3.64Å; Y136-R224 HydrophobicContact CE2-CB 3.34Å; Y136-R224 HydrophobicContact CE2-CG 4.01Å; Y136-I225 HydrophobicContact CD2-CG1 4.23Å; Y136-I228 HydrophobicContact CD2-CD1 4.32Å; Y136-I228 HydrophobicContact CE2-CD1 4.02Å |
| 137 | L | 90.8 | Very high | 87.3 | Confident | 54 Ų | 54 | 36.8 Ų | 36.8 | 28% | 0.283 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59.7 | -49.1 | 179.3 | -66.7 | 172.7 | 0 | 0 | 0 | 110.9 | L133 D134 I139 A140 T141 F147 | L133-L137 HydrophobicContact CD1-CD1 4.04Å; L133-L137 HydrophobicContact CD1-CD2 4.46Å; L133-L137 HydrophobicContact CD1-CG 4.03Å; L133-L137 HydrophobicContact CG-CD1 4.05Å; L133-L137 HydrophobicContact CG-CG 4.44Å; L133-L137 WeakPolarHBondContact O-CG 3.38Å; L133-L137 PolarHBondContact O-N 3.34Å; D134-L137 PolarHBondContact O-N 3.37Å; L137-I139 VanDerWaalsContact C-N 3.32Å; L137-I139 PolarHBondContact O-N 3.37Å; L137-A140 PolarHBondContact O-N 2.96Å; L137-T141 PolarHBondContact O-N 3.29Å; L137-T141 VanDerWaalsContact O-N 3.11Å; L137-T141 PolarHBondContact O-OG1 3.46Å; L137-F147 HydrophobicContact CB-CB 4.17Å; L137-F147 HydrophobicContact CB-CD1 4.09Å; L137-F147 HydrophobicContact CB-CG 4.22Å; L137-F147 HydrophobicContact CD1-CD1 4.07Å; L137-F147 HydrophobicContact CD1-CE1 4.43Å; L137-F147 HydrophobicContact CD2-CD1 4.27Å; L137-F147 HydrophobicContact CD2-CE1 4.21Å; L137-F147 HydrophobicContact CG-CD1 4.37Å |
| 138 | V | 86.3 | Confident | 86.3 | Confident | 18 Ų | 18 | 40.9 Ų | 40.9 | 11% | 0.109 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.6 | -40.8 | 178.1 | 172.7 | 0 | 0 | 0 | 0 | 112.4 | D134 Y136 F147 | D134-V138 WeakPolarHBondContact O-CG2 3.33Å; D134-V138 PolarHBondContact O-N 2.96Å; D134-V138 VanDerWaalsContact O-N 3.08Å; Y136-V138 PolarHBondContact O-N 2.86Å; V138-F147 VanDerWaalsContact CG2-O 3.28Å; V138-F147 WeakPolarHBondContact CG2-O 3.3Å |
| 139 | I | 85.6 | Confident | 85.5 | Confident | 7 Ų | 7 | 41.9 Ų | 41.9 | 4% | 0.036 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -78.1 | -35.4 | -177.6 | -69.5 | 169.4 | 0 | 0 | 0 | 112.1 | R135 Y136 L137 I225 I228 I237 L265 | R135-I139 VanDerWaalsContact O-CB 3.32Å; R135-I139 WeakPolarHBondContact O-CB 3.49Å; R135-I139 WeakPolarHBondContact O-CD1 3.43Å; R135-I139 WeakPolarHBondContact O-CG1 3.46Å; R135-I139 PolarHBondContact O-N 3.48Å; Y136-I139 PolarHBondContact O-N 2.88Å; L137-I139 VanDerWaalsContact C-N 3.32Å; L137-I139 PolarHBondContact O-N 3.37Å; I139-I225 HydrophobicContact CD1-CG1 4.41Å; I139-I225 HydrophobicContact CD1-CG2 4.08Å; I139-I228 HydrophobicContact CG2-CB 4.37Å; I139-I228 HydrophobicContact CG2-CD1 4.33Å; I139-I228 HydrophobicContact CG2-CG2 3.85Å; I139-I237 HydrophobicContact CD1-CG2 4.41Å; I139-L265 HydrophobicContact CD1-CD2 3.77Å |
| 140 | A | 87.6 | Confident | 85 | Confident | 25 Ų | 25 | 44.2 Ų | 44.2 | 21% | 0.207 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -71.1 | -36.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y136 L137 P142 I228 | Y136-A140 HydrophobicContact CD2-CB 4.21Å; Y136-A140 HydrophobicContact CE2-CB 3.81Å; Y136-A140 WeakPolarHBondContact O-CB 3.18Å; Y136-A140 PolarHBondContact O-N 3.48Å; L137-A140 PolarHBondContact O-N 2.96Å; A140-P142 WeakPolarHBondContact O-CD 3.41Å; A140-I228 HydrophobicContact CB-CD1 3.89Å |
| 141 | T | 84.2 | Confident | 84.6 | Confident | 34 Ų | 34 | 47.2 Ų | 47.2 | 21% | 0.209 | 25% | 0.253 | C | S | . | . | trans | -127.6 | 68.7 | -173.8 | 57.4 | 0 | 0 | 0 | 0 | 111.5 | L137 F143 E144 F147 | L137-T141 PolarHBondContact O-N 3.29Å; L137-T141 VanDerWaalsContact O-N 3.11Å; L137-T141 PolarHBondContact O-OG1 3.46Å; T141-F143 VanDerWaalsContact C-N 3.27Å; T141-F143 PolarHBondContact O-N 3.13Å; T141-E144 PolarHBondContact O-N 3.04Å; T141-F147 HydrophobicContact CG2-CD2 4.39Å; T141-F147 HydrophobicContact CG2-CE2 4.3Å; T141-F147 WeakPolarHBondContact OG1-CD2 3.33Å | ||
| 142 | P | 73.4 | Confident | 84.5 | Confident | 19 Ų | 19 | 56.3 Ų | 56.3 | 12% | 0.123 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -26.8 | -171.3 | 27.3 | -38.9 | 0 | 0 | 0 | 114.9 | A140 F236 A240 | A140-P142 WeakPolarHBondContact O-CD 3.41Å; P142-F236 HydrophobicContact CG-CE1 4.49Å; P142-F236 HydrophobicContact CG-CE2 4.41Å; P142-F236 HydrophobicContact CG-CZ 3.73Å; P142-A240 HydrophobicContact CB-CB 3.61Å |
| 143 | F | 73.7 | Confident | 84.2 | Confident | 159 Ų | 159 | 61.6 Ų | 61.6 | 70% | 0.697 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -7.8 | -177.7 | -57.2 | -63.3 | 0 | 0 | 0 | 113 | T141 S145 | T141-F143 VanDerWaalsContact C-N 3.27Å; T141-F143 PolarHBondContact O-N 3.13Å; F143-S145 PolarHBondContact O-N 3.49Å |
| 144 | E | 77.3 | Confident | 84.1 | Confident | 95 Ų | 95 | 58.9 Ų | 58.9 | 44% | 0.444 | 29% | 0.292 | S | S | . | . | trans | -91.4 | 98.4 | -178.5 | -69 | -166.7 | -137.1 | 0 | 0 | 110.6 | T141 V146 F147 | T141-E144 PolarHBondContact O-N 3.04Å; E144-V146 HydrophobicContact CB-CG1 4.28Å; E144-V146 PolarHBondContact O-N 3.29Å; E144-V146 VanDerWaalsContact O-N 3.08Å; E144-F147 HydrophobicContact CB-CD2 3.75Å; E144-F147 HydrophobicContact CB-CE2 4.3Å; E144-F147 PolarHBondContact O-N 3.21Å; E144-F147 WeakPolarHBondContact OE2-CE2 3.49Å | ||
| 145 | S | 71.3 | Confident | 84.2 | Confident | 60 Ų | 60 | 62.4 Ų | 62.4 | 42% | 0.42 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -61.8 | -19.1 | 177.2 | 46.7 | 0 | 0 | 0 | 0 | 113.6 | F143 F147 Q148 | F143-S145 PolarHBondContact O-N 3.49Å; S145-F147 PolarHBondContact O-N 3.49Å; S145-F147 VanDerWaalsContact O-N 3.17Å; S145-Q148 WeakPolarHBondContact O-CB 3.5Å; S145-Q148 PolarHBondContact O-N 3.29Å; S145-Q148 VanDerWaalsContact O-N 3.11Å |
| 146 | V | 77 | Confident | 84.4 | Confident | 78 Ų | 78 | 67 Ų | 67 | 47% | 0.473 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -62.7 | -18.7 | 175.5 | 78.3 | 0 | 0 | 0 | 0 | 112.4 | E144 R153 | E144-V146 HydrophobicContact CB-CG1 4.28Å; E144-V146 PolarHBondContact O-N 3.29Å; E144-V146 VanDerWaalsContact O-N 3.08Å; V146-R153 PolarHBondContact O-NH1 2.84Å; V146-R153 PolarHBondContact O-NH2 2.99Å |
| 147 | F | 78.2 | Confident | 84.5 | Confident | 69 Ų | 69 | 67.7 Ų | 67.7 | 30% | 0.303 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -101.9 | 3.6 | 177 | -64.1 | -60.9 | 0 | 0 | 0 | 114 | L137 V138 T141 E144 S145 T149 | L137-F147 HydrophobicContact CB-CB 4.17Å; L137-F147 HydrophobicContact CB-CD1 4.09Å; L137-F147 HydrophobicContact CB-CG 4.22Å; L137-F147 HydrophobicContact CD1-CD1 4.07Å; L137-F147 HydrophobicContact CD1-CE1 4.43Å; L137-F147 HydrophobicContact CD2-CD1 4.27Å; L137-F147 HydrophobicContact CD2-CE1 4.21Å; L137-F147 HydrophobicContact CG-CD1 4.37Å; V138-F147 VanDerWaalsContact CG2-O 3.28Å; V138-F147 WeakPolarHBondContact CG2-O 3.3Å; T141-F147 HydrophobicContact CG2-CD2 4.39Å; T141-F147 HydrophobicContact CG2-CE2 4.3Å; T141-F147 WeakPolarHBondContact OG1-CD2 3.33Å; E144-F147 HydrophobicContact CB-CD2 3.75Å; E144-F147 HydrophobicContact CB-CE2 4.3Å; E144-F147 PolarHBondContact O-N 3.21Å; E144-F147 WeakPolarHBondContact OE2-CE2 3.49Å; S145-F147 PolarHBondContact O-N 3.49Å; S145-F147 VanDerWaalsContact O-N 3.17Å; F147-T149 PolarHBondContact O-N 2.86Å |
| 148 | Q | 76.3 | Confident | 84.8 | Confident | 87 Ų | 87 | 66.5 Ų | 66.5 | 41% | 0.407 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -66.8 | 135.5 | 175.1 | -71.1 | -177.5 | -8.2 | 0 | 0 | 111.5 | S145 T150 R153 | S145-Q148 WeakPolarHBondContact O-CB 3.5Å; S145-Q148 PolarHBondContact O-N 3.29Å; S145-Q148 VanDerWaalsContact O-N 3.11Å; Q148-T150 PolarHBondContact O-N 3.32Å; Q148-R153 PolarHBondContact O-NH1 3.45Å |
| 149 | T | 81.7 | Confident | 85.3 | Confident | 24 Ų | 24 | 70.7 Ų | 70.7 | 15% | 0.147 | 36% | 0.356 | C | S | . | . | trans | -68.8 | 116.8 | 177.2 | -43.2 | 0 | 0 | 0 | 0 | 109.7 | P70 D134 R135 F147 T154 | P70-T149 HydrophobicContact CB-CG2 3.73Å; D134-T149 VanDerWaalsContact CG-OG1 3.32Å; D134-T149 WeakPolarHBondContact OD1-CB 3.37Å; D134-T149 WeakPolarHBondContact OD1-CG2 3.29Å; D134-T149 PolarHBondContact OD1-OG1 3.21Å; D134-T149 PolarHBondContact OD2-OG1 3.42Å; R135-T149 PolarHBondContact NH2-OG1 3.32Å; F147-T149 PolarHBondContact O-N 2.86Å; T149-T154 WeakPolarHBondContact CG2-OG1 3.42Å | ||
| 150 | T | 86.1 | Confident | 85.8 | Confident | 53 Ų | 53 | 75.9 Ų | 75.9 | 33% | 0.325 | 38% | 0.378 | S | S | . | . | trans | -118.7 | 150 | 176.4 | 65.9 | 0 | 0 | 0 | 0 | 110.1 | Q148 R152 R153 T154 | Q148-T150 PolarHBondContact O-N 3.32Å; T150-R152 VanDerWaalsContact C-N 3.27Å; T150-R152 PolarHBondContact O-N 3.11Å; T150-R153 PolarHBondContact O-N 3.37Å; T150-R153 VanDerWaalsContact O-N 3.13Å; T150-R153 WeakPolarHBondContact OG1-CG 3.28Å; T150-R153 PolarHBondContact OG1-N 3.35Å; T150-T154 PolarHBondContact O-N 3.4Å; T150-T154 PolarHBondContact O-OG1 3.09Å; T150-T154 VanDerWaalsContact O-OG1 3.04Å | ||
| 151 | P | 88.5 | Confident | 86.4 | Confident | 69 Ų | 69 | 75.1 Ų | 75.1 | 45% | 0.448 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -54.7 | -41.6 | -178.9 | -26.6 | 34.7 | 0 | 0 | 0 | 113.3 | P70 I73 R153 T154 L155 | P70-P151 HydrophobicContact CB-CG 4.48Å; P70-P151 HydrophobicContact CG-CG 4.01Å; I73-P151 HydrophobicContact CD1-CB 4.03Å; P151-R153 PolarHBondContact O-N 2.86Å; P151-T154 PolarHBondContact O-N 3.04Å; P151-L155 VanDerWaalsContact O-CG 3.29Å; P151-L155 WeakPolarHBondContact O-CG 3.44Å; P151-L155 PolarHBondContact O-N 3.29Å |
| 152 | R | 91.4 | Very high | 87 | Confident | 199 Ų | 199 | 76.8 Ų | 76.8 | 75% | 0.751 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -61.7 | -45.6 | 179.1 | -175.9 | 178 | 178.2 | 178.4 | -0 | 111.8 | T150 T154 L155 L156 | T150-R152 VanDerWaalsContact C-N 3.27Å; T150-R152 PolarHBondContact O-N 3.11Å; R152-T154 VanDerWaalsContact C-N 3.35Å; R152-L155 PolarHBondContact O-N 2.94Å; R152-L156 HydrophobicContact CG-CD1 4.4Å; R152-L156 WeakPolarHBondContact O-CG 3.26Å; R152-L156 PolarHBondContact O-N 3.07Å |
| 153 | R | 90.4 | Very high | 88.2 | Confident | 111 Ų | 111 | 81.1 Ų | 81.1 | 42% | 0.419 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 177.1 | -73 | 177.6 | 177.3 | 174.9 | -17.3 | 111.4 | V146 Q148 T150 P151 L155 L156 L157 | V146-R153 PolarHBondContact O-NH1 2.84Å; V146-R153 PolarHBondContact O-NH2 2.99Å; Q148-R153 PolarHBondContact O-NH1 3.45Å; T150-R153 PolarHBondContact O-N 3.37Å; T150-R153 VanDerWaalsContact O-N 3.13Å; T150-R153 WeakPolarHBondContact OG1-CG 3.28Å; T150-R153 PolarHBondContact OG1-N 3.35Å; P151-R153 PolarHBondContact O-N 2.86Å; R153-L155 VanDerWaalsContact C-N 3.35Å; R153-L155 PolarHBondContact O-N 2.82Å; R153-L156 PolarHBondContact O-N 3.32Å; R153-L157 VanDerWaalsContact O-CB 3.31Å; R153-L157 WeakPolarHBondContact O-CB 2.97Å; R153-L157 PolarHBondContact O-N 3.19Å |
| 154 | T | 92 | Very high | 89.4 | Confident | 4 Ų | 4 | 76.2 Ų | 76.2 | 3% | 0.025 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.5 | -40.1 | 177.7 | -51.3 | 0 | 0 | 0 | 0 | 112 | I73 L74 T149 T150 P151 R152 L157 M158 | I73-T154 HydrophobicContact CB-CG2 3.74Å; I73-T154 HydrophobicContact CG2-CG2 3.73Å; L74-T154 HydrophobicContact CD1-CG2 4.45Å; L74-T154 HydrophobicContact CD2-CG2 3.71Å; L74-T154 HydrophobicContact CG-CG2 3.65Å; T149-T154 WeakPolarHBondContact CG2-OG1 3.42Å; T150-T154 PolarHBondContact O-N 3.4Å; T150-T154 PolarHBondContact O-OG1 3.09Å; T150-T154 VanDerWaalsContact O-OG1 3.04Å; P151-T154 PolarHBondContact O-N 3.04Å; R152-T154 VanDerWaalsContact C-N 3.35Å; T154-L157 PolarHBondContact O-N 3.47Å; T154-M158 VanDerWaalsContact O-CG 3.31Å; T154-M158 WeakPolarHBondContact O-CG 3.44Å; T154-M158 PolarHBondContact O-N 3.08Å |
| 155 | L | 93.5 | Very high | 90.4 | Very high | 99 Ų | 99 | 71.7 Ų | 71.7 | 52% | 0.518 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.8 | -42.3 | 176 | -70.5 | 170.8 | 0 | 0 | 0 | 112.6 | I73 P151 R152 R153 L157 M158 L159 | I73-L155 HydrophobicContact CG2-CD2 4.44Å; P151-L155 VanDerWaalsContact O-CG 3.29Å; P151-L155 WeakPolarHBondContact O-CG 3.44Å; P151-L155 PolarHBondContact O-N 3.29Å; R152-L155 PolarHBondContact O-N 2.94Å; R153-L155 VanDerWaalsContact C-N 3.35Å; R153-L155 PolarHBondContact O-N 2.82Å; L155-L157 VanDerWaalsContact C-N 3.31Å; L155-L157 PolarHBondContact O-N 3.37Å; L155-M158 HydrophobicContact CD2-SD 4.07Å; L155-M158 WeakPolarHBondContact O-CB 3.4Å; L155-M158 PolarHBondContact O-N 3.33Å; L155-L159 PolarHBondContact O-N 3.19Å |
| 156 | L | 94.6 | Very high | 91.7 | Very high | 103 Ų | 103 | 71.3 Ų | 71.3 | 54% | 0.539 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.5 | -39.4 | 174.5 | -70.5 | 173.8 | 0 | 0 | 0 | 111.6 | R152 R153 L159 F160 | R152-L156 HydrophobicContact CG-CD1 4.4Å; R152-L156 WeakPolarHBondContact O-CG 3.26Å; R152-L156 PolarHBondContact O-N 3.07Å; R153-L156 PolarHBondContact O-N 3.32Å; L156-L159 PolarHBondContact O-N 3.45Å; L156-F160 PolarHBondContact O-N 3.19Å |
| 157 | L | 94.6 | Very high | 92.7 | Very high | 54 Ų | 54 | 72 Ų | 72 | 28% | 0.283 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.4 | -46.7 | 174.3 | -177.9 | 57 | 0 | 0 | 0 | 110.7 | A130 R153 T154 L155 L159 F160 L161 | A130-L157 HydrophobicContact CB-CD1 4.38Å; A130-L157 HydrophobicContact CB-CD2 3.81Å; A130-L157 HydrophobicContact CB-CG 4.18Å; R153-L157 VanDerWaalsContact O-CB 3.31Å; R153-L157 WeakPolarHBondContact O-CB 2.97Å; R153-L157 PolarHBondContact O-N 3.19Å; T154-L157 PolarHBondContact O-N 3.47Å; L155-L157 VanDerWaalsContact C-N 3.31Å; L155-L157 PolarHBondContact O-N 3.37Å; L157-L159 PolarHBondContact O-N 2.97Å; L157-F160 HydrophobicContact CD1-CD1 4.28Å; L157-F160 WeakPolarHBondContact O-CB 3.12Å; L157-F160 PolarHBondContact O-N 3.24Å; L157-F160 VanDerWaalsContact O-N 3.14Å; L157-L161 HydrophobicContact CD1-CD2 4.38Å; L157-L161 HydrophobicContact CD1-CG 4.34Å; L157-L161 HydrophobicContact CG-CD1 4.31Å; L157-L161 HydrophobicContact CG-CG 4.43Å; L157-L161 VanDerWaalsContact O-CG 3.25Å; L157-L161 WeakPolarHBondContact O-CG 3.49Å; L157-L161 PolarHBondContact O-N 2.69Å |
| 158 | M | 96.3 | Very high | 93.6 | Very high | 29 Ų | 29 | 71.1 Ų | 71.1 | 14% | 0.143 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -54.1 | -51.5 | 174.5 | -71.6 | 165 | 63.2 | 0 | 0 | 111.4 | I73 L74 N77 T154 L155 F160 L161 W162 | I73-M158 HydrophobicContact CG2-CE 4.49Å; I73-M158 HydrophobicContact CG2-SD 3.37Å; I73-M158 WeakPolarHBondContact CG2-SD 3.18Å; L74-M158 HydrophobicContact CD2-CG 4.22Å; N77-M158 HydrophobicContact CB-CE 3.93Å; N77-M158 HydrophobicContact CB-CG 4.01Å; N77-M158 HydrophobicContact CB-SD 4.25Å; N77-M158 WeakPolarHBondContact OD1-CE 3.42Å; T154-M158 VanDerWaalsContact O-CG 3.31Å; T154-M158 WeakPolarHBondContact O-CG 3.44Å; T154-M158 PolarHBondContact O-N 3.08Å; L155-M158 HydrophobicContact CD2-SD 4.07Å; L155-M158 WeakPolarHBondContact O-CB 3.4Å; L155-M158 PolarHBondContact O-N 3.33Å; M158-F160 VanDerWaalsContact C-N 3.27Å; M158-F160 PolarHBondContact O-N 3.12Å; M158-L161 WeakPolarHBondContact O-CB 3.25Å; M158-L161 PolarHBondContact O-N 3.09Å; M158-W162 PolarHBondContact O-N 3.3Å |
| 159 | L | 97.2 | Very high | 94.6 | Very high | 107 Ų | 107 | 67 Ų | 67 | 56% | 0.56 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -54.4 | -45.8 | 178 | 179.4 | 63 | 0 | 0 | 0 | 111.3 | L155 L156 L157 L161 W162 M163 | L155-L159 PolarHBondContact O-N 3.19Å; L156-L159 PolarHBondContact O-N 3.45Å; L157-L159 PolarHBondContact O-N 2.97Å; L159-L161 PolarHBondContact O-N 3.24Å; L159-W162 PolarHBondContact O-N 3.1Å; L159-M163 HydrophobicContact CD1-CG 4.34Å; L159-M163 VanDerWaalsContact O-CG 3.3Å; L159-M163 WeakPolarHBondContact O-CG 3.49Å; L159-M163 PolarHBondContact O-N 3.18Å |
| 160 | F | 97.9 | Very high | 95.4 | Very high | 116 Ų | 116 | 68.3 Ų | 68.3 | 51% | 0.509 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.3 | -45.4 | 174.5 | 169.5 | -95.8 | 0 | 0 | 0 | 112.5 | L156 L157 M158 W162 M163 W164 | L156-F160 PolarHBondContact O-N 3.19Å; L157-F160 HydrophobicContact CD1-CD1 4.28Å; L157-F160 WeakPolarHBondContact O-CB 3.12Å; L157-F160 PolarHBondContact O-N 3.24Å; L157-F160 VanDerWaalsContact O-N 3.14Å; M158-F160 VanDerWaalsContact C-N 3.27Å; M158-F160 PolarHBondContact O-N 3.12Å; F160-W162 PolarHBondContact O-N 3.41Å; F160-M163 PolarHBondContact O-N 3.06Å; F160-W164 HydrophobicContact CE1-CB 4.48Å; F160-W164 HydrophobicContact CE2-CE3 4.42Å; F160-W164 HydrophobicContact CZ-CB 4.44Å; F160-W164 HydrophobicContact CZ-CD2 4.43Å; F160-W164 HydrophobicContact CZ-CE3 4.02Å; F160-W164 VanDerWaalsContact O-CB 3.27Å; F160-W164 WeakPolarHBondContact O-CB 3.35Å; F160-W164 PolarHBondContact O-N 2.82Å |
| 161 | L | 98.1 | Very high | 96 | Very high | 8 Ų | 8 | 67 Ų | 67 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.5 | -39.4 | -179.6 | -61.7 | 172.3 | 0 | 0 | 0 | 112.5 | A130 L157 M158 L159 S165 | A130-L161 HydrophobicContact CB-CD1 3.77Å; A130-L161 HydrophobicContact CB-CD2 4.11Å; L157-L161 HydrophobicContact CD1-CD2 4.38Å; L157-L161 HydrophobicContact CD1-CG 4.34Å; L157-L161 HydrophobicContact CG-CD1 4.31Å; L157-L161 HydrophobicContact CG-CG 4.43Å; L157-L161 VanDerWaalsContact O-CG 3.25Å; L157-L161 WeakPolarHBondContact O-CG 3.49Å; L157-L161 PolarHBondContact O-N 2.69Å; M158-L161 WeakPolarHBondContact O-CB 3.25Å; M158-L161 PolarHBondContact O-N 3.09Å; L159-L161 PolarHBondContact O-N 3.24Å; L161-S165 WeakPolarHBondContact O-CB 3.37Å; L161-S165 PolarHBondContact O-N 2.7Å; L161-S165 PolarHBondContact O-OG 3.42Å |
| 162 | W | 98.5 | Very high | 96.4 | Very high | 69 Ų | 69 | 64.2 Ų | 64.2 | 26% | 0.261 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.4 | -46.1 | 174.8 | -77.7 | 95.8 | 0 | 0 | 0 | 111.3 | N77 I80 L119 F120 V123 M158 L159 F160 S165 L166 | N77-W162 PolarHBondContact OD1-NE1 3.1Å; I80-W162 HydrophobicContact CG2-CH2 4.32Å; I80-W162 HydrophobicContact CG2-CZ2 4Å; L119-W162 HydrophobicContact CD1-CE3 4.37Å; L119-W162 HydrophobicContact CD2-CZ3 4.29Å; L119-W162 HydrophobicContact CG-CZ3 4.39Å; F120-W162 AromaticContact CD1-CH2 3.95Å; F120-W162 HydrophobicContact CD1-CH2 3.95Å; F120-W162 HydrophobicContact CD1-CZ3 4.13Å; F120-W162 AromaticContact CE1-CH2 3.71Å; F120-W162 HydrophobicContact CE1-CH2 3.71Å; F120-W162 AromaticContact CE1-CZ3 3.85Å; F120-W162 HydrophobicContact CE1-CZ3 3.85Å; V123-W162 HydrophobicContact CG1-CD2 4.36Å; V123-W162 HydrophobicContact CG1-CZ2 4.08Å; V123-W162 HydrophobicContact CG2-CD2 3.97Å; V123-W162 HydrophobicContact CG2-CE3 3.87Å; V123-W162 HydrophobicContact CG2-CG 4.44Å; V123-W162 HydrophobicContact CG2-CZ3 4.22Å; M158-W162 PolarHBondContact O-N 3.3Å; L159-W162 PolarHBondContact O-N 3.1Å; F160-W162 PolarHBondContact O-N 3.41Å; W162-S165 PolarHBondContact O-N 3.39Å; W162-L166 VanDerWaalsContact O-CB 3.24Å; W162-L166 WeakPolarHBondContact O-CB 3.48Å; W162-L166 PolarHBondContact O-N 3.18Å |
| 163 | M | 98.3 | Very high | 96.7 | Very high | 110 Ų | 110 | 58 Ų | 58 | 54% | 0.542 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65 | -40.9 | 177.3 | -66.4 | -54.6 | -62.1 | 0 | 0 | 112.3 | L159 F160 L166 M167 | L159-M163 HydrophobicContact CD1-CG 4.34Å; L159-M163 VanDerWaalsContact O-CG 3.3Å; L159-M163 WeakPolarHBondContact O-CG 3.49Å; L159-M163 PolarHBondContact O-N 3.18Å; F160-M163 PolarHBondContact O-N 3.06Å; M163-L166 PolarHBondContact O-N 3.09Å; M163-M167 VanDerWaalsContact O-CB 3.27Å; M163-M167 WeakPolarHBondContact O-CB 3.26Å; M163-M167 PolarHBondContact O-N 2.62Å |
| 164 | W | 98.1 | Very high | 97 | Very high | 56 Ų | 56 | 60.3 Ų | 60.3 | 21% | 0.212 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.4 | -49.1 | 175.4 | 178.6 | -95.2 | 0 | 0 | 0 | 111.3 | F160 M167 W168 F209 | F160-W164 HydrophobicContact CE1-CB 4.48Å; F160-W164 HydrophobicContact CE2-CE3 4.42Å; F160-W164 HydrophobicContact CZ-CB 4.44Å; F160-W164 HydrophobicContact CZ-CD2 4.43Å; F160-W164 HydrophobicContact CZ-CE3 4.02Å; F160-W164 VanDerWaalsContact O-CB 3.27Å; F160-W164 WeakPolarHBondContact O-CB 3.35Å; F160-W164 PolarHBondContact O-N 2.82Å; W164-M167 HydrophobicContact CD2-CE 4.32Å; W164-M167 HydrophobicContact CE3-CE 3.69Å; W164-M167 HydrophobicContact CH2-CE 4.45Å; W164-M167 HydrophobicContact CZ3-CE 3.76Å; W164-M167 PolarHBondContact O-N 2.68Å; W164-W168 AromaticContact CD2-NE1 3.9Å; W164-W168 AromaticContact CE2-CD1 3.96Å; W164-W168 AromaticContact CE2-NE1 3.52Å; W164-W168 AromaticContact CH2-NE1 3.9Å; W164-W168 AromaticContact CZ2-NE1 3.55Å; W164-W168 AromaticContact NE1-CD1 3.92Å; W164-W168 AromaticContact NE1-NE1 3.94Å; W164-F209 HydrophobicContact CH2-CB 4.3Å; W164-F209 HydrophobicContact CH2-CD1 4.15Å; W164-F209 HydrophobicContact CZ2-CB 3.82Å; W164-F209 HydrophobicContact CZ2-CD1 4.33Å; W164-F209 WeakPolarHBondContact CZ2-O 3.31Å; W164-F209 PolarHBondContact NE1-O 3.24Å; W164-F209 VanDerWaalsContact NE1-O 3.1Å |
| 165 | S | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.3 | -42.6 | -179.4 | -54.7 | 0 | 0 | 0 | 0 | 111.1 | V123 L161 W162 W168 T169 | V123-S165 WeakPolarHBondContact CA-OG 3.49Å; V123-S165 WeakPolarHBondContact CG2-OG 3.43Å; V123-S165 PolarHBondContact N-OG 3.26Å; L161-S165 WeakPolarHBondContact O-CB 3.37Å; L161-S165 PolarHBondContact O-N 2.7Å; L161-S165 PolarHBondContact O-OG 3.42Å; W162-S165 PolarHBondContact O-N 3.39Å; S165-W168 PolarHBondContact O-N 2.97Å; S165-T169 VanDerWaalsContact O-CG2 3.3Å; S165-T169 WeakPolarHBondContact O-CG2 3.36Å; S165-T169 PolarHBondContact O-N 3.14Å; S165-T169 VanDerWaalsContact O-N 3.15Å; S165-T169 PolarHBondContact O-OG1 2.82Å |
| 166 | L | 98.1 | Very high | 97.3 | Very high | 52 Ų | 52 | 61.9 Ų | 61.9 | 27% | 0.272 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.1 | -40.8 | 177.7 | -172.8 | 64.9 | 0 | 0 | 0 | 112.3 | L115 L119 W162 M163 W168 T169 I170 | L115-L166 HydrophobicContact CD1-CD1 4.42Å; L119-L166 HydrophobicContact CD1-CB 4.13Å; L119-L166 HydrophobicContact CD1-CD1 4.4Å; L119-L166 HydrophobicContact CD2-CD1 4.44Å; W162-L166 VanDerWaalsContact O-CB 3.24Å; W162-L166 WeakPolarHBondContact O-CB 3.48Å; W162-L166 PolarHBondContact O-N 3.18Å; M163-L166 PolarHBondContact O-N 3.09Å; L166-W168 PolarHBondContact O-N 3.48Å; L166-T169 PolarHBondContact O-N 3.37Å; L166-T169 VanDerWaalsContact O-N 3.12Å; L166-I170 HydrophobicContact CD1-CB 4.03Å; L166-I170 HydrophobicContact CD1-CD1 4.05Å; L166-I170 HydrophobicContact CD1-CG1 4.2Å; L166-I170 HydrophobicContact CD2-CD1 4.43Å; L166-I170 HydrophobicContact CG-CB 4.24Å; L166-I170 HydrophobicContact CG-CD1 4.19Å; L166-I170 VanDerWaalsContact O-CB 3.22Å; L166-I170 WeakPolarHBondContact O-CB 3.38Å; L166-I170 VanDerWaalsContact O-CG2 3.27Å; L166-I170 WeakPolarHBondContact O-CG2 3.4Å; L166-I170 PolarHBondContact O-N 3.38Å |
| 167 | M | 97.8 | Very high | 97.4 | Very high | 92 Ų | 92 | 57.1 Ų | 57.1 | 45% | 0.453 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -54.1 | -37.2 | 177.8 | 179.1 | 174.6 | 73.4 | 0 | 0 | 112.1 | M163 W164 P171 | M163-M167 VanDerWaalsContact O-CB 3.27Å; M163-M167 WeakPolarHBondContact O-CB 3.26Å; M163-M167 PolarHBondContact O-N 2.62Å; W164-M167 HydrophobicContact CD2-CE 4.32Å; W164-M167 HydrophobicContact CE3-CE 3.69Å; W164-M167 HydrophobicContact CH2-CE 4.45Å; W164-M167 HydrophobicContact CZ3-CE 3.76Å; W164-M167 PolarHBondContact O-N 2.68Å; M167-P171 WeakPolarHBondContact O-CD 3.15Å; M167-P171 WeakPolarHBondContact O-CG 3.12Å |
| 168 | W | 97.5 | Very high | 97.6 | Very high | 52 Ų | 52 | 58.1 Ų | 58.1 | 20% | 0.197 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -88.1 | -23.2 | 179.7 | -63.1 | 115.3 | 0 | 0 | 0 | 113.5 | W164 S165 L166 F202 L206 F209 | W164-W168 AromaticContact CD2-NE1 3.9Å; W164-W168 AromaticContact CE2-CD1 3.96Å; W164-W168 AromaticContact CE2-NE1 3.52Å; W164-W168 AromaticContact CH2-NE1 3.9Å; W164-W168 AromaticContact CZ2-NE1 3.55Å; W164-W168 AromaticContact NE1-CD1 3.92Å; W164-W168 AromaticContact NE1-NE1 3.94Å; S165-W168 PolarHBondContact O-N 2.97Å; L166-W168 PolarHBondContact O-N 3.48Å; W168-F202 VanDerWaalsContact O-CE2 3.29Å; W168-F202 WeakPolarHBondContact O-CE2 3.19Å; W168-L206 HydrophobicContact CB-CD1 3.76Å; W168-L206 VanDerWaalsContact O-CD1 3.27Å; W168-L206 WeakPolarHBondContact O-CD1 3.36Å; W168-F209 HydrophobicContact CD2-CB 3.87Å; W168-F209 AromaticContact CE2-CG 3.83Å; W168-F209 HydrophobicContact CE3-CB 4.48Å; W168-F209 HydrophobicContact CG-CB 4.42Å; W168-F209 HydrophobicContact CH2-CB 3.97Å; W168-F209 AromaticContact CH2-CD2 3.26Å; W168-F209 HydrophobicContact CH2-CD2 3.26Å; W168-F209 AromaticContact CH2-CE2 3.84Å; W168-F209 HydrophobicContact CH2-CE2 3.84Å; W168-F209 AromaticContact CH2-CG 3.72Å; W168-F209 HydrophobicContact CH2-CG 3.72Å; W168-F209 HydrophobicContact CZ2-CB 3.25Å; W168-F209 HydrophobicContact CZ2-CD1 4.05Å; W168-F209 AromaticContact CZ2-CD2 3.4Å; W168-F209 HydrophobicContact CZ2-CD2 3.4Å; W168-F209 VanDerWaalsContact CZ2-CD2 3.4Å; W168-F209 HydrophobicContact CZ2-CE2 4.22Å; W168-F209 AromaticContact CZ2-CG 3.3Å; W168-F209 HydrophobicContact CZ2-CG 3.3Å; W168-F209 AromaticContact CZ3-CD2 3.91Å; W168-F209 HydrophobicContact CZ3-CD2 3.91Å; W168-F209 VanDerWaalsContact NE1-CB 3.34Å |
| 169 | T | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -99.7 | -21.4 | -176.4 | 63 | 0 | 0 | 0 | 0 | 114.4 | L115 G118 F122 S165 L166 P172 Y179 L206 | L115-T169 WeakPolarHBondContact CD1-O 3.45Å; L115-T169 WeakPolarHBondContact CD1-OG1 3.37Å; G118-T169 VanDerWaalsContact C-CG2 3.46Å; F122-T169 HydrophobicContact CD2-CG2 3.43Å; F122-T169 VanDerWaalsContact CD2-CG2 3.43Å; F122-T169 HydrophobicContact CE2-CG2 3.72Å; S165-T169 VanDerWaalsContact O-CG2 3.3Å; S165-T169 WeakPolarHBondContact O-CG2 3.36Å; S165-T169 PolarHBondContact O-N 3.14Å; S165-T169 VanDerWaalsContact O-N 3.15Å; S165-T169 PolarHBondContact O-OG1 2.82Å; L166-T169 PolarHBondContact O-N 3.37Å; L166-T169 VanDerWaalsContact O-N 3.12Å; T169-P172 WeakPolarHBondContact O-CD 3.25Å; T169-Y179 PolarHBondContact O-OH 2.87Å; T169-L206 HydrophobicContact CG2-CD1 4.26Å |
| 170 | I | 98.1 | Very high | 97.7 | Very high | 51 Ų | 51 | 52.1 Ų | 52.1 | 26% | 0.262 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -76.1 | -27.7 | -179 | -147.7 | 177.7 | 0 | 0 | 0 | 116.1 | L115 L166 P172 L173 F174 | L115-I170 HydrophobicContact CD1-CB 4.47Å; L166-I170 HydrophobicContact CD1-CB 4.03Å; L166-I170 HydrophobicContact CD1-CD1 4.05Å; L166-I170 HydrophobicContact CD1-CG1 4.2Å; L166-I170 HydrophobicContact CD2-CD1 4.43Å; L166-I170 HydrophobicContact CG-CB 4.24Å; L166-I170 HydrophobicContact CG-CD1 4.19Å; L166-I170 VanDerWaalsContact O-CB 3.22Å; L166-I170 WeakPolarHBondContact O-CB 3.38Å; L166-I170 VanDerWaalsContact O-CG2 3.27Å; L166-I170 WeakPolarHBondContact O-CG2 3.4Å; L166-I170 PolarHBondContact O-N 3.38Å; I170-P172 VanDerWaalsContact C-N 3.34Å; I170-P172 VanDerWaalsContact O-N 3.13Å; I170-L173 HydrophobicContact CG1-CD1 4.27Å; I170-L173 WeakPolarHBondContact O-CB 3.12Å; I170-L173 PolarHBondContact O-N 3.01Å; I170-F174 HydrophobicContact CD1-CE2 3.88Å; I170-F174 HydrophobicContact CD1-CZ 4.48Å; I170-F174 HydrophobicContact CG1-CE2 3.82Å; I170-F174 HydrophobicContact CG2-CE2 4.43Å |
| 171 | P | 98.2 | Very high | 97.7 | Very high | 26 Ų | 26 | 46.6 Ų | 46.6 | 17% | 0.169 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -53.2 | -35.6 | -172.9 | -26.5 | 34.8 | 0 | 0 | 0 | 116.5 | M167 L173 F174 G175 F176 F202 | M167-P171 WeakPolarHBondContact O-CD 3.15Å; M167-P171 WeakPolarHBondContact O-CG 3.12Å; P171-L173 PolarHBondContact O-N 2.91Å; P171-L173 VanDerWaalsContact O-N 3.14Å; P171-F174 CarbonylContact O-C 3.53Å; P171-F174 PolarHBondContact O-N 3.05Å; P171-G175 PolarHBondContact O-N 2.94Å; P171-F176 CarbonylContact C-O 3.53Å; P171-F176 HydrophobicContact CB-CB 4.01Å; P171-F176 HydrophobicContact CB-CD1 4.04Å; P171-F176 HydrophobicContact CB-CG 4.5Å; P171-F176 WeakPolarHBondContact CB-O 3.49Å; P171-F176 PolarHBondContact O-N 3.42Å; P171-F202 HydrophobicContact CB-CD2 4.06Å; P171-F202 HydrophobicContact CB-CE2 4.31Å; P171-F202 HydrophobicContact CG-CD2 4.37Å; P171-F202 HydrophobicContact CG-CE2 4.4Å |
| 172 | P | 97.7 | Very high | 97.6 | Very high | 10 Ų | 10 | 46.3 Ų | 46.3 | 7% | 0.065 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -59.2 | -25.5 | 177 | -30.5 | 39.5 | 0 | 0 | 0 | 114.5 | T169 I170 F174 G175 F176 Y179 F202 | T169-P172 WeakPolarHBondContact O-CD 3.25Å; I170-P172 VanDerWaalsContact C-N 3.34Å; I170-P172 VanDerWaalsContact O-N 3.13Å; P172-F174 PolarHBondContact O-N 3.34Å; P172-G175 PolarHBondContact O-N 2.96Å; P172-F176 WeakPolarHBondContact CA-O 3.39Å; P172-Y179 HydrophobicContact CB-CD2 3.63Å; P172-Y179 HydrophobicContact CB-CE2 3.61Å; P172-Y179 HydrophobicContact CB-CG 4.26Å; P172-Y179 HydrophobicContact CG-CD2 4.21Å; P172-Y179 HydrophobicContact CG-CE1 4.48Å; P172-Y179 HydrophobicContact CG-CE2 3.76Å; P172-F202 HydrophobicContact CG-CD1 4.27Å; P172-F202 HydrophobicContact CG-CD2 4.08Å; P172-F202 HydrophobicContact CG-CE1 3.63Å; P172-F202 HydrophobicContact CG-CE2 3.43Å; P172-F202 VanDerWaalsContact CG-CE2 3.43Å; P172-F202 HydrophobicContact CG-CG 4.46Å; P172-F202 HydrophobicContact CG-CZ 3.16Å |
| 173 | L | 97.2 | Very high | 97.4 | Very high | 68 Ų | 68 | 43 Ų | 43 | 36% | 0.356 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -70.6 | -15.8 | 175.6 | -59.9 | -165.3 | 0 | 0 | 0 | 113 | D111 L115 I170 P171 Y179 | D111-L173 HydrophobicContact CB-CD2 3.71Å; L115-L173 HydrophobicContact CD2-CD1 3.9Å; I170-L173 HydrophobicContact CG1-CD1 4.27Å; I170-L173 WeakPolarHBondContact O-CB 3.12Å; I170-L173 PolarHBondContact O-N 3.01Å; P171-L173 PolarHBondContact O-N 2.91Å; P171-L173 VanDerWaalsContact O-N 3.14Å; L173-Y179 HydrophobicContact CD2-CD2 4.37Å |
| 174 | F | 97.1 | Very high | 97.2 | Very high | 161 Ų | 161 | 39.2 Ų | 39.2 | 71% | 0.706 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -115 | 16.4 | -179.3 | -57.1 | -77.2 | 0 | 0 | 0 | 112.4 | I170 P171 P172 | I170-F174 HydrophobicContact CD1-CE2 3.88Å; I170-F174 HydrophobicContact CD1-CZ 4.48Å; I170-F174 HydrophobicContact CG1-CE2 3.82Å; I170-F174 HydrophobicContact CG2-CE2 4.43Å; P171-F174 CarbonylContact O-C 3.53Å; P171-F174 PolarHBondContact O-N 3.05Å; P172-F174 PolarHBondContact O-N 3.34Å |
| 175 | G | 94.5 | Very high | 97.2 | Very high | 55 Ų | 55 | 36.6 Ų | 36.6 | 57% | 0.567 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85 | 5.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | P171 P172 | P171-G175 PolarHBondContact O-N 2.94Å; P172-G175 PolarHBondContact O-N 2.96Å |
| 176 | F | 97.2 | Very high | 97.1 | Very high | 80 Ų | 80 | 36.6 Ų | 36.6 | 35% | 0.351 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -99.5 | 94.2 | 172.7 | -166.6 | -92.7 | 0 | 0 | 0 | 110.2 | P171 P172 N198 L201 F202 | P171-F176 CarbonylContact C-O 3.53Å; P171-F176 HydrophobicContact CB-CB 4.01Å; P171-F176 HydrophobicContact CB-CD1 4.04Å; P171-F176 HydrophobicContact CB-CG 4.5Å; P171-F176 WeakPolarHBondContact CB-O 3.49Å; P171-F176 PolarHBondContact O-N 3.42Å; P172-F176 WeakPolarHBondContact CA-O 3.39Å; F176-N198 HydrophobicContact CD2-CB 4.42Å; F176-L201 HydrophobicContact CE1-CB 4.3Å; F176-L201 HydrophobicContact CZ-CB 3.67Å; F176-L201 HydrophobicContact CZ-CD1 4.46Å; F176-F202 HydrophobicContact CD1-CB 3.76Å; F176-F202 HydrophobicContact CD1-CD2 4.42Å; F176-F202 HydrophobicContact CE1-CB 3.76Å |
| 177 | G | 97.3 | Very high | 97.1 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | S | Bend | trans | 84.1 | 179 | -162.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 178 | R | 97.6 | Very high | 97.1 | Very high | 75 Ų | 75 | 29.9 Ų | 29.9 | 28% | 0.283 | 15% | 0.152 | S | C | . | . | trans | -151.5 | 150 | 179 | 59.5 | -169 | 74.5 | 85.8 | 2.6 | 112.2 | V180 D191 D196 | R178-V180 HydrophobicContact CG-CG1 4.06Å; R178-D191 VanDerWaalsContact CD-OD2 3.24Å; R178-D191 WeakPolarHBondContact CD-OD2 3.36Å; R178-D191 HydrophobicContact CG-CB 3.4Å; R178-D191 WeakPolarHBondContact CG-OD2 3.38Å; R178-D191 IonicContact CZ-OD2 3.55Å; R178-D191 IonicContact NE-OD2 3.53Å; R178-D191 IonicContact NH1-OD2 2.76Å; R178-D191 PolarHBondContact NH1-OD2 3.46Å; R178-D191 PolarHBondContact O-N 3.34Å; R178-D196 IonicContact CZ-OD1 3.86Å; R178-D196 IonicContact CZ-OD2 3.91Å; R178-D196 IonicContact NH1-OD1 2.94Å; R178-D196 IonicContact NH1-OD2 3.85Å; R178-D196 PolarHBondContact NH1-OD2 3.47Å; R178-D196 IonicContact NH2-OD1 3.98Å; R178-D196 PolarHBondContact NH2-OD1 2.9Å; R178-D196 IonicContact NH2-OD2 3.03Å; R178-D196 PolarHBondContact NH2-OD2 3.01Å | ||
| 179 | Y | 98.4 | Very high | 97.1 | Very high | 4 Ų | 4 | 28.2 Ų | 28.2 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 132.6 | 166.7 | -69.8 | -59.4 | 0 | 0 | 0 | 109.3 | D111 L115 T169 P172 L173 T189 M190 | D111-Y179 WeakPolarHBondContact O-CD2 3.31Å; L115-Y179 HydrophobicContact CB-CE2 3.9Å; T169-Y179 PolarHBondContact O-OH 2.87Å; P172-Y179 HydrophobicContact CB-CD2 3.63Å; P172-Y179 HydrophobicContact CB-CE2 3.61Å; P172-Y179 HydrophobicContact CB-CG 4.26Å; P172-Y179 HydrophobicContact CG-CD2 4.21Å; P172-Y179 HydrophobicContact CG-CE1 4.48Å; P172-Y179 HydrophobicContact CG-CE2 3.76Å; L173-Y179 HydrophobicContact CD2-CD2 4.37Å; Y179-T189 CarbonylContact C-O 3.6Å; Y179-T189 VanDerWaalsContact CA-O 3.29Å; Y179-T189 WeakPolarHBondContact CA-O 3.49Å; Y179-M190 HydrophobicContact CE1-CB 4.37Å |
| 180 | V | 98.2 | Very high | 97.1 | Very high | 6 Ų | 6 | 29.3 Ų | 29.3 | 4% | 0.036 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 162.3 | -173.7 | -68.4 | 0 | 0 | 0 | 0 | 109.5 | I20 L22 R178 C188 T189 D191 | I20-V180 CarbonylContact O-C 3.52Å; I20-V180 WeakPolarHBondContact O-CA 3.26Å; I20-V180 WeakPolarHBondContact O-CB 3.23Å; L22-V180 HydrophobicContact CD1-CG2 4.11Å; L22-V180 HydrophobicContact CD2-CG1 4.11Å; L22-V180 HydrophobicContact CG-CB 4.36Å; L22-V180 HydrophobicContact CG-CG1 4.3Å; L22-V180 HydrophobicContact CG-CG2 4.25Å; R178-V180 HydrophobicContact CG-CG1 4.06Å; V180-C188 CarbonylContact O-C 3.36Å; V180-C188 WeakPolarHBondContact O-CA 3.37Å; V180-T189 PolarHBondContact N-O 2.83Å; V180-T189 PolarHBondContact O-N 3.39Å; V180-D191 HydrophobicContact CG1-CB 4.29Å; V180-D191 HydrophobicContact CG2-CB 3.7Å |
| 181 | T | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 147.9 | 170.2 | 48.8 | 0 | 0 | 0 | 0 | 110.9 | M14 I20 V21 W103 Q185 S187 C188 | M14-T181 HydrophobicContact CE-CG2 4.23Å; I20-T181 HydrophobicContact CB-CG2 4.24Å; I20-T181 HydrophobicContact CD1-CG2 4.07Å; I20-T181 HydrophobicContact CG1-CG2 4.25Å; I20-T181 PolarHBondContact O-N 2.96Å; I20-T181 PolarHBondContact O-OG1 3.18Å; V21-T181 WeakPolarHBondContact CG2-OG1 3.33Å; W103-T181 HydrophobicContact CB-CG2 3.86Å; W103-T181 HydrophobicContact CG-CG2 4.06Å; T181-Q185 PolarHBondContact OG1-OE1 2.86Å; T181-S187 VanDerWaalsContact CA-O 3.28Å; T181-S187 WeakPolarHBondContact CA-O 3.46Å; T181-C188 WeakPolarHBondContact CG2-SG 3.19Å |
| 182 | E | 96.2 | Very high | 96.9 | Very high | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.009 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 161.4 | -178.5 | 65.9 | 172.8 | 159.5 | 0 | 0 | 112.8 | Y184 Q185 S187 T189 Y192 Y282 V302 C306 | E182-Y184 PolarHBondContact O-N 2.8Å; E182-Y184 VanDerWaalsContact O-N 3.1Å; E182-Q185 WeakPolarHBondContact O-CA 3.33Å; E182-Q185 PolarHBondContact O-N 2.89Å; E182-S187 PolarHBondContact N-O 3.3Å; E182-S187 VanDerWaalsContact N-O 3.1Å; E182-T189 HydrophobicContact CB-CG2 3.72Å; E182-T189 VanDerWaalsContact CD-CG2 3.49Å; E182-T189 HydrophobicContact CG-CG2 3.89Å; E182-T189 WeakPolarHBondContact OE2-CG2 3.45Å; E182-Y192 PolarHBondContact OE2-OH 2.97Å; E182-Y282 VanDerWaalsContact CD-OH 3.27Å; E182-Y282 PolarHBondContact OE1-OH 3.3Å; E182-Y282 VanDerWaalsContact OE2-CE2 3.3Å; E182-Y282 WeakPolarHBondContact OE2-CE2 3.19Å; E182-Y282 PolarHBondContact OE2-OH 3.5Å; E182-V302 HydrophobicContact CB-CG1 4.29Å; E182-V302 HydrophobicContact CG-CG1 4.24Å; E182-V302 WeakPolarHBondContact OE2-CG1 3.21Å; E182-C306 PolarHBondContact OE1-SG 3.45Å |
| 183 | G | 93.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | -115.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q185 | G183-Q185 PolarHBondContact O-N 3.03Å; G183-Q185 PolarHBondContact O-NE2 3.35Å |
| 184 | Y | 95.1 | Very high | 96.8 | Very high | 31 Ų | 31 | 24.7 Ų | 24.7 | 12% | 0.122 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 14.3 | 178.2 | -59.6 | -40.8 | 0 | 0 | 0 | 115.1 | P31 Q36 I39 E182 T186 P299 L300 E303 | P31-Y184 HydrophobicContact CB-CD1 4.13Å; P31-Y184 HydrophobicContact CB-CD2 4.46Å; P31-Y184 HydrophobicContact CB-CE1 3.82Å; P31-Y184 HydrophobicContact CB-CE2 4.2Å; P31-Y184 HydrophobicContact CB-CG 4.44Å; P31-Y184 HydrophobicContact CG-CD1 3.61Å; P31-Y184 HydrophobicContact CG-CD2 3.96Å; P31-Y184 HydrophobicContact CG-CE1 3.86Å; P31-Y184 HydrophobicContact CG-CE2 4.21Å; P31-Y184 HydrophobicContact CG-CG 3.68Å; Q36-Y184 VanDerWaalsContact NE2-CB 3.32Å; Q36-Y184 PolarHBondContact NE2-O 2.69Å; I39-Y184 HydrophobicContact CD1-CD2 4.11Å; I39-Y184 HydrophobicContact CD1-CE2 4.17Å; E182-Y184 PolarHBondContact O-N 2.8Å; E182-Y184 VanDerWaalsContact O-N 3.1Å; Y184-T186 VanDerWaalsContact C-N 3.29Å; Y184-T186 PolarHBondContact O-N 3.42Å; Y184-P299 HydrophobicContact CD1-CB 3.41Å; Y184-P299 VanDerWaalsContact CD1-CB 3.41Å; Y184-P299 HydrophobicContact CE1-CB 3.38Å; Y184-P299 HydrophobicContact CG-CB 4.44Å; Y184-L300 WeakPolarHBondContact OH-CD1 3.38Å; Y184-E303 HydrophobicContact CD2-CB 3.9Å; Y184-E303 HydrophobicContact CD2-CG 3.58Å; Y184-E303 HydrophobicContact CE2-CB 3.81Å; Y184-E303 HydrophobicContact CE2-CG 3.73Å |
| 185 | Q | 96.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 29.4 | 173.4 | -46.7 | -54.7 | -51.7 | 0 | 0 | 114.3 | I7 L10 M14 W25 F102 W103 T181 E182 G183 | I7-Q185 HydrophobicContact CD1-CG 3.93Å; I7-Q185 HydrophobicContact CG1-CG 4.19Å; I7-Q185 HydrophobicContact CG2-CG 3.67Å; L10-Q185 HydrophobicContact CD1-CB 4.17Å; L10-Q185 HydrophobicContact CD1-CG 4.41Å; M14-Q185 HydrophobicContact CE-CB 4.49Å; M14-Q185 HydrophobicContact SD-CB 4.44Å; W25-Q185 VanDerWaalsContact CG-NE2 3.35Å; F102-Q185 CarbonylContact C-O 3.56Å; W103-Q185 WeakPolarHBondContact CB-O 3.34Å; W103-Q185 PolarHBondContact N-O 3.36Å; T181-Q185 PolarHBondContact OG1-OE1 2.86Å; E182-Q185 WeakPolarHBondContact O-CA 3.33Å; E182-Q185 PolarHBondContact O-N 2.89Å; G183-Q185 PolarHBondContact O-N 3.03Å; G183-Q185 PolarHBondContact O-NE2 3.35Å |
| 186 | T | 97.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | -1.3 | 179.8 | 54.1 | 0 | 0 | 0 | 0 | 113.4 | K94 A97 Y184 | K94-T186 WeakPolarHBondContact CD-O 3.47Å; K94-T186 PolarHBondContact NZ-OG1 3.19Å; A97-T186 HydrophobicContact CB-CG2 4.48Å; A97-T186 VanDerWaalsContact CB-O 3.29Å; A97-T186 WeakPolarHBondContact CB-O 3.37Å; A97-T186 WeakPolarHBondContact O-CG2 3.45Å; Y184-T186 VanDerWaalsContact C-N 3.29Å; Y184-T186 PolarHBondContact O-N 3.42Å |
| 187 | S | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 161.9 | 170 | 31.8 | 0 | 0 | 0 | 0 | 110.7 | K94 T181 E182 | K94-S187 PolarHBondContact NZ-OG 2.84Å; T181-S187 VanDerWaalsContact CA-O 3.28Å; T181-S187 WeakPolarHBondContact CA-O 3.46Å; E182-S187 PolarHBondContact N-O 3.3Å; E182-S187 VanDerWaalsContact N-O 3.1Å |
| 188 | C | 98.3 | Very high | 96.6 | Very high | 4 Ų | 4 | 27 Ų | 27 | 3% | 0.027 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 150.9 | 172.1 | -64.4 | 0 | 0 | 0 | 0 | 112.5 | C110 Y113 V180 T181 | C110-C188 WeakPolarHBondContact CA-SG 3.48Å; C110-C188 HydrophobicContact CB-CB 4Å; C110-C188 WeakPolarHBondContact CB-SG 3.08Å; C110-C188 VanDerWaalsContact O-CB 3.3Å; C110-C188 WeakPolarHBondContact O-CB 3.28Å; C110-C188 WeakPolarHBondContact SG-CB 3.35Å; C110-C188 CovalentContact SG-SG 2.02Å; C110-C188 PolarHBondContact SG-SG 3.1Å; Y113-C188 HydrophobicContact CD1-CB 3.95Å; Y113-C188 WeakPolarHBondContact CD1-O 3.25Å; Y113-C188 VanDerWaalsContact CE1-O 3.3Å; Y113-C188 WeakPolarHBondContact CE1-O 3.5Å; V180-C188 CarbonylContact O-C 3.36Å; V180-C188 WeakPolarHBondContact O-CA 3.37Å; T181-C188 WeakPolarHBondContact CG2-SG 3.19Å |
| 189 | T | 97.9 | Very high | 96.5 | Very high | 17 Ų | 17 | 23.4 Ų | 23.4 | 10% | 0.104 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 178 | -178.8 | -165.1 | 0 | 0 | 0 | 0 | 110.2 | Y179 V180 E182 Y192 Y282 | Y179-T189 CarbonylContact C-O 3.6Å; Y179-T189 VanDerWaalsContact CA-O 3.29Å; Y179-T189 WeakPolarHBondContact CA-O 3.49Å; V180-T189 PolarHBondContact N-O 2.83Å; V180-T189 PolarHBondContact O-N 3.39Å; E182-T189 HydrophobicContact CB-CG2 3.72Å; E182-T189 VanDerWaalsContact CD-CG2 3.49Å; E182-T189 HydrophobicContact CG-CG2 3.89Å; E182-T189 WeakPolarHBondContact OE2-CG2 3.45Å; T189-Y192 HydrophobicContact CG2-CD1 4.1Å; T189-Y192 HydrophobicContact CG2-CE1 3.55Å; T189-Y282 WeakPolarHBondContact CB-OH 3.29Å; T189-Y282 WeakPolarHBondContact CG2-OH 3.48Å; T189-Y282 PolarHBondContact OG1-OH 2.89Å |
| 190 | M | 97.1 | Very high | 96.3 | Very high | 22 Ų | 22 | 28.3 Ų | 28.3 | 11% | 0.108 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 137.5 | 172.1 | 63.8 | -154.7 | -169.7 | 0 | 0 | 111.4 | Y179 Y192 F202 L206 F207 C286 | Y179-M190 HydrophobicContact CE1-CB 4.37Å; M190-Y192 HydrophobicContact CG-CD1 4.39Å; M190-Y192 WeakPolarHBondContact O-CD1 3.37Å; M190-Y192 PolarHBondContact O-N 3.13Å; M190-F202 HydrophobicContact CB-CE1 3.95Å; M190-L206 HydrophobicContact CB-CD2 4.38Å; M190-L206 HydrophobicContact CG-CD2 4.47Å; M190-L206 HydrophobicContact SD-CD2 3.26Å; M190-L206 WeakPolarHBondContact SD-CD2 3.5Å; M190-L206 HydrophobicContact SD-CG 4.44Å; M190-F207 HydrophobicContact CE-CD2 4.37Å; M190-F207 HydrophobicContact CE-CE2 3.34Å; M190-F207 HydrophobicContact CE-CZ 3.52Å; M190-C286 HydrophobicContact CE-CB 3.83Å |
| 191 | D | 97.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | trans | -66.5 | 99.9 | 171.8 | 176.3 | 1.8 | 0 | 0 | 0 | 110 | L22 R178 V180 I193 S194 N199 N203 | L22-D191 WeakPolarHBondContact CD1-OD1 3.35Å; R178-D191 VanDerWaalsContact CD-OD2 3.24Å; R178-D191 WeakPolarHBondContact CD-OD2 3.36Å; R178-D191 HydrophobicContact CG-CB 3.4Å; R178-D191 WeakPolarHBondContact CG-OD2 3.38Å; R178-D191 IonicContact CZ-OD2 3.55Å; R178-D191 IonicContact NE-OD2 3.53Å; R178-D191 IonicContact NH1-OD2 2.76Å; R178-D191 PolarHBondContact NH1-OD2 3.46Å; R178-D191 PolarHBondContact O-N 3.34Å; V180-D191 HydrophobicContact CG1-CB 4.29Å; V180-D191 HydrophobicContact CG2-CB 3.7Å; D191-I193 PolarHBondContact OD1-N 3.34Å; D191-S194 VanDerWaalsContact CG-OG 3.31Å; D191-S194 PolarHBondContact OD1-N 3.36Å; D191-S194 PolarHBondContact OD1-OG 2.83Å; D191-S194 WeakPolarHBondContact OD2-CB 3.49Å; D191-S194 PolarHBondContact OD2-OG 3.24Å; D191-N199 PolarHBondContact O-ND2 3.32Å; D191-N199 PolarHBondContact O-OD1 3.39Å; D191-N203 PolarHBondContact O-ND2 3.24Å | ||
| 192 | Y | 96.2 | Very high | 96.3 | Very high | 5 Ų | 5 | 32.2 Ų | 32.2 | 2% | 0.02 | 17% | 0.167 | C | C | . | . | trans | -93.6 | -1.6 | 175.7 | 49.2 | -106.5 | 0 | 0 | 0 | 113 | W25 E182 T189 M190 C286 A289 V302 | W25-Y192 HydrophobicContact CZ2-CE2 4.32Å; E182-Y192 PolarHBondContact OE2-OH 2.97Å; T189-Y192 HydrophobicContact CG2-CD1 4.1Å; T189-Y192 HydrophobicContact CG2-CE1 3.55Å; M190-Y192 HydrophobicContact CG-CD1 4.39Å; M190-Y192 WeakPolarHBondContact O-CD1 3.37Å; M190-Y192 PolarHBondContact O-N 3.13Å; Y192-C286 HydrophobicContact CD1-CB 4.23Å; Y192-C286 WeakPolarHBondContact CD1-SG 3.34Å; Y192-C286 HydrophobicContact CG-CB 4.26Å; Y192-A289 HydrophobicContact CD2-CB 3.71Å; Y192-A289 HydrophobicContact CG-CB 4.41Å; Y192-A289 WeakPolarHBondContact O-CB 3.29Å; Y192-V302 VanDerWaalsContact OH-CG1 3.26Å; Y192-V302 WeakPolarHBondContact OH-CG1 3.34Å; Y192-V302 WeakPolarHBondContact OH-CG2 3.4Å | ||
| 193 | I | 96.2 | Very high | 96.3 | Very high | 20 Ų | 20 | 32.1 Ų | 32.1 | 10% | 0.103 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -95.4 | -44.9 | -175.3 | -62.3 | -68.6 | 0 | 0 | 0 | 111.1 | L22 Y24 W25 D191 T195 A289 A294 | L22-I193 HydrophobicContact CD1-CB 3.82Å; L22-I193 HydrophobicContact CD1-CG1 4.22Å; L22-I193 HydrophobicContact CD1-CG2 4.38Å; Y24-I193 HydrophobicContact CD1-CD1 4.11Å; Y24-I193 HydrophobicContact CD1-CG1 4.33Å; Y24-I193 HydrophobicContact CD1-CG2 4.32Å; Y24-I193 HydrophobicContact CD2-CG2 4.23Å; Y24-I193 HydrophobicContact CE1-CD1 4.11Å; Y24-I193 HydrophobicContact CG-CG2 3.89Å; W25-I193 HydrophobicContact CZ2-CG1 4.4Å; D191-I193 PolarHBondContact OD1-N 3.34Å; I193-T195 PolarHBondContact O-N 2.85Å; I193-A289 HydrophobicContact CD1-CB 4.18Å; I193-A294 HydrophobicContact CD1-CB 4.03Å |
| 194 | S | 95.2 | Very high | 96.4 | Very high | 33 Ų | 33 | 37.6 Ų | 37.6 | 23% | 0.231 | 19% | 0.194 | C | C | . | . | trans | -68.3 | 135.2 | -173.3 | -58.2 | 0 | 0 | 0 | 0 | 112 | D191 D196 N199 | D191-S194 VanDerWaalsContact CG-OG 3.31Å; D191-S194 PolarHBondContact OD1-N 3.36Å; D191-S194 PolarHBondContact OD1-OG 2.83Å; D191-S194 WeakPolarHBondContact OD2-CB 3.49Å; D191-S194 PolarHBondContact OD2-OG 3.24Å; S194-D196 WeakPolarHBondContact CB-OD2 3.26Å; S194-N199 PolarHBondContact O-ND2 2.9Å | ||
| 195 | T | 94.4 | Very high | 96.5 | Very high | 89 Ų | 89 | 36.5 Ų | 36.5 | 55% | 0.546 | 19% | 0.193 | S | C | . | . | trans | -100 | 7.7 | -172.5 | 56.5 | 0 | 0 | 0 | 0 | 114.2 | I193 R200 | I193-T195 PolarHBondContact O-N 2.85Å; T195-R200 VanDerWaalsContact CB-NH2 3.35Å; T195-R200 VanDerWaalsContact O-CD 3.23Å; T195-R200 WeakPolarHBondContact O-CD 3.49Å; T195-R200 PolarHBondContact O-NE 3.06Å | ||
| 196 | D | 95.2 | Very high | 96.5 | Very high | 55 Ų | 55 | 36.7 Ų | 36.7 | 29% | 0.294 | 19% | 0.194 | S | C | . | . | trans | -61.9 | 148.6 | 174.6 | 65.9 | 102.3 | 0 | 0 | 0 | 111.1 | R178 S194 N198 N199 R200 | R178-D196 IonicContact CZ-OD1 3.86Å; R178-D196 IonicContact CZ-OD2 3.91Å; R178-D196 IonicContact NH1-OD1 2.94Å; R178-D196 IonicContact NH1-OD2 3.85Å; R178-D196 PolarHBondContact NH1-OD2 3.47Å; R178-D196 IonicContact NH2-OD1 3.98Å; R178-D196 PolarHBondContact NH2-OD1 2.9Å; R178-D196 IonicContact NH2-OD2 3.03Å; R178-D196 PolarHBondContact NH2-OD2 3.01Å; S194-D196 WeakPolarHBondContact CB-OD2 3.26Å; D196-N198 VanDerWaalsContact C-N 3.33Å; D196-N198 PolarHBondContact O-N 2.9Å; D196-N199 PolarHBondContact O-N 2.75Å; D196-N199 WeakPolarHBondContact OD1-CB 3.38Å; D196-N199 PolarHBondContact OD1-N 3.14Å; D196-N199 VanDerWaalsContact OD1-N 3.08Å; D196-N199 WeakPolarHBondContact OD2-CB 3.37Å; D196-R200 PolarHBondContact O-N 3.39Å | ||
| 197 | L | 95.4 | Very high | 96.4 | Very high | 121 Ų | 121 | 37.9 Ų | 37.9 | 63% | 0.634 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -58.2 | -44.5 | -170.7 | -178.9 | 61.9 | 0 | 0 | 0 | 112.2 | N199 R200 L201 | L197-N199 PolarHBondContact O-N 3.4Å; L197-R200 PolarHBondContact O-N 3.01Å; L197-L201 HydrophobicContact CD1-CD1 3.93Å; L197-L201 HydrophobicContact CD1-CD2 4.45Å; L197-L201 HydrophobicContact CD1-CG 3.94Å; L197-L201 HydrophobicContact CG-CD1 3.9Å; L197-L201 HydrophobicContact CG-CG 4.3Å; L197-L201 WeakPolarHBondContact O-CB 3.28Å; L197-L201 VanDerWaalsContact O-CG 3.29Å; L197-L201 WeakPolarHBondContact O-CG 3.46Å; L197-L201 PolarHBondContact O-N 3.42Å |
| 198 | N | 96.3 | Very high | 96.3 | Very high | 82 Ų | 82 | 39.1 Ų | 39.1 | 44% | 0.439 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.3 | -47.1 | -179.4 | -70.7 | -8.4 | 0 | 0 | 0 | 111.2 | F176 D196 F202 | F176-N198 HydrophobicContact CD2-CB 4.42Å; D196-N198 VanDerWaalsContact C-N 3.33Å; D196-N198 PolarHBondContact O-N 2.9Å; N198-F202 WeakPolarHBondContact O-CB 3.15Å; N198-F202 PolarHBondContact O-N 2.91Å |
| 199 | N | 96.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.8 | -40.3 | 177.9 | -169 | 62.3 | 0 | 0 | 0 | 112.9 | D191 S194 D196 L197 F202 N203 | D191-N199 PolarHBondContact O-ND2 3.32Å; D191-N199 PolarHBondContact O-OD1 3.39Å; S194-N199 PolarHBondContact O-ND2 2.9Å; D196-N199 PolarHBondContact O-N 2.75Å; D196-N199 WeakPolarHBondContact OD1-CB 3.38Å; D196-N199 PolarHBondContact OD1-N 3.14Å; D196-N199 VanDerWaalsContact OD1-N 3.08Å; D196-N199 WeakPolarHBondContact OD2-CB 3.37Å; L197-N199 PolarHBondContact O-N 3.4Å; N199-F202 PolarHBondContact O-N 3.47Å; N199-N203 PolarHBondContact ND2-ND2 3.5Å; N199-N203 PolarHBondContact O-N 2.89Å; N199-N203 PolarHBondContact O-ND2 3.16Å; N199-N203 PolarHBondContact OD1-ND2 3.26Å |
| 200 | R | 95.2 | Very high | 96.2 | Very high | 106 Ų | 106 | 43 Ų | 43 | 40% | 0.4 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.8 | -47.7 | 175.8 | -78 | -176.7 | 165.1 | 176 | -3.2 | 112.2 | T195 D196 L197 F202 N203 I204 | T195-R200 VanDerWaalsContact CB-NH2 3.35Å; T195-R200 VanDerWaalsContact O-CD 3.23Å; T195-R200 WeakPolarHBondContact O-CD 3.49Å; T195-R200 PolarHBondContact O-NE 3.06Å; D196-R200 PolarHBondContact O-N 3.39Å; L197-R200 PolarHBondContact O-N 3.01Å; R200-F202 VanDerWaalsContact C-N 3.33Å; R200-F202 PolarHBondContact O-N 3.23Å; R200-N203 PolarHBondContact O-N 3.04Å; R200-I204 WeakPolarHBondContact O-CB 3.44Å; R200-I204 VanDerWaalsContact O-CG1 3.25Å; R200-I204 WeakPolarHBondContact O-CG1 3.28Å; R200-I204 PolarHBondContact O-N 3.44Å |
| 201 | L | 96.6 | Very high | 96.1 | Very high | 83 Ų | 83 | 42.9 Ų | 42.9 | 44% | 0.435 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.9 | -40.9 | 179.1 | -70.5 | 176.2 | 0 | 0 | 0 | 111.8 | F176 L197 I204 G205 | F176-L201 HydrophobicContact CE1-CB 4.3Å; F176-L201 HydrophobicContact CZ-CB 3.67Å; F176-L201 HydrophobicContact CZ-CD1 4.46Å; L197-L201 HydrophobicContact CD1-CD1 3.93Å; L197-L201 HydrophobicContact CD1-CD2 4.45Å; L197-L201 HydrophobicContact CD1-CG 3.94Å; L197-L201 HydrophobicContact CG-CD1 3.9Å; L197-L201 HydrophobicContact CG-CG 4.3Å; L197-L201 WeakPolarHBondContact O-CB 3.28Å; L197-L201 VanDerWaalsContact O-CG 3.29Å; L197-L201 WeakPolarHBondContact O-CG 3.46Å; L197-L201 PolarHBondContact O-N 3.42Å; L201-I204 PolarHBondContact O-N 2.76Å; L201-G205 PolarHBondContact O-N 2.92Å |
| 202 | F | 97.5 | Very high | 96.1 | Very high | 6 Ų | 6 | 46.1 Ų | 46.1 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56 | -54 | 172.4 | 165.7 | -109.2 | 0 | 0 | 0 | 111.7 | W168 P171 P172 F176 M190 N198 N199 R200 I204 G205 L206 | W168-F202 VanDerWaalsContact O-CE2 3.29Å; W168-F202 WeakPolarHBondContact O-CE2 3.19Å; P171-F202 HydrophobicContact CB-CD2 4.06Å; P171-F202 HydrophobicContact CB-CE2 4.31Å; P171-F202 HydrophobicContact CG-CD2 4.37Å; P171-F202 HydrophobicContact CG-CE2 4.4Å; P172-F202 HydrophobicContact CG-CD1 4.27Å; P172-F202 HydrophobicContact CG-CD2 4.08Å; P172-F202 HydrophobicContact CG-CE1 3.63Å; P172-F202 HydrophobicContact CG-CE2 3.43Å; P172-F202 VanDerWaalsContact CG-CE2 3.43Å; P172-F202 HydrophobicContact CG-CG 4.46Å; P172-F202 HydrophobicContact CG-CZ 3.16Å; F176-F202 HydrophobicContact CD1-CB 3.76Å; F176-F202 HydrophobicContact CD1-CD2 4.42Å; F176-F202 HydrophobicContact CE1-CB 3.76Å; M190-F202 HydrophobicContact CB-CE1 3.95Å; N198-F202 WeakPolarHBondContact O-CB 3.15Å; N198-F202 PolarHBondContact O-N 2.91Å; N199-F202 PolarHBondContact O-N 3.47Å; R200-F202 VanDerWaalsContact C-N 3.33Å; R200-F202 PolarHBondContact O-N 3.23Å; F202-I204 PolarHBondContact O-N 2.92Å; F202-G205 PolarHBondContact O-N 2.87Å; F202-L206 HydrophobicContact CE1-CD2 4.1Å; F202-L206 HydrophobicContact CE2-CD2 4.4Å; F202-L206 HydrophobicContact CZ-CD2 3.72Å; F202-L206 WeakPolarHBondContact O-CB 3.28Å; F202-L206 PolarHBondContact O-N 3.44Å |
| 203 | N | 97.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.7 | -40 | -178.6 | -81.3 | -80.5 | 0 | 0 | 0 | 112.4 | D191 N199 R200 G205 L206 F207 L290 | D191-N203 PolarHBondContact O-ND2 3.24Å; N199-N203 PolarHBondContact ND2-ND2 3.5Å; N199-N203 PolarHBondContact O-N 2.89Å; N199-N203 PolarHBondContact O-ND2 3.16Å; N199-N203 PolarHBondContact OD1-ND2 3.26Å; R200-N203 PolarHBondContact O-N 3.04Å; N203-G205 VanDerWaalsContact C-N 3.35Å; N203-G205 PolarHBondContact O-N 3.36Å; N203-L206 PolarHBondContact O-N 3.49Å; N203-F207 WeakPolarHBondContact O-CB 3.28Å; N203-F207 WeakPolarHBondContact O-CD2 3.36Å; N203-F207 PolarHBondContact O-N 3.05Å; N203-L290 HydrophobicContact CB-CD1 3.78Å; N203-L290 HydrophobicContact CB-CD2 3.48Å; N203-L290 VanDerWaalsContact CB-CD2 3.48Å; N203-L290 HydrophobicContact CB-CG 4.29Å |
| 204 | I | 95.7 | Very high | 96.2 | Very high | 114 Ų | 114 | 48 Ų | 48 | 59% | 0.585 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -60.3 | -45.3 | 174.9 | -70.4 | 166.3 | 0 | 0 | 0 | 110.6 | R200 L201 F202 G208 | R200-I204 WeakPolarHBondContact O-CB 3.44Å; R200-I204 VanDerWaalsContact O-CG1 3.25Å; R200-I204 WeakPolarHBondContact O-CG1 3.28Å; R200-I204 PolarHBondContact O-N 3.44Å; L201-I204 PolarHBondContact O-N 2.76Å; F202-I204 PolarHBondContact O-N 2.92Å; I204-G208 PolarHBondContact O-N 3.44Å |
| 205 | G | 96.6 | Very high | 96.3 | Very high | 9 Ų | 9 | 47.2 Ų | 47.2 | 9% | 0.093 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.3 | -46.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L201 F202 N203 G208 F209 | L201-G205 PolarHBondContact O-N 2.92Å; F202-G205 PolarHBondContact O-N 2.87Å; N203-G205 VanDerWaalsContact C-N 3.35Å; N203-G205 PolarHBondContact O-N 3.36Å; G205-G208 PolarHBondContact O-N 2.97Å; G205-F209 WeakPolarHBondContact O-CB 3.21Å; G205-F209 WeakPolarHBondContact O-CD2 3.34Å; G205-F209 PolarHBondContact O-N 2.66Å |
| 206 | L | 97.1 | Very high | 96.4 | Very high | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -60.2 | -49 | 178.7 | -169.7 | 62.5 | 0 | 0 | 0 | 112.4 | F122 W168 T169 M190 F202 N203 G210 F211 | F122-L206 HydrophobicContact CD2-CD1 4.06Å; F122-L206 HydrophobicContact CE2-CD1 3.22Å; F122-L206 HydrophobicContact CE2-CD2 4.34Å; F122-L206 HydrophobicContact CE2-CG 3.84Å; F122-L206 HydrophobicContact CZ-CD1 3.65Å; F122-L206 HydrophobicContact CZ-CD2 4.37Å; F122-L206 HydrophobicContact CZ-CG 3.77Å; W168-L206 HydrophobicContact CB-CD1 3.76Å; W168-L206 VanDerWaalsContact O-CD1 3.27Å; W168-L206 WeakPolarHBondContact O-CD1 3.36Å; T169-L206 HydrophobicContact CG2-CD1 4.26Å; M190-L206 HydrophobicContact CB-CD2 4.38Å; M190-L206 HydrophobicContact CG-CD2 4.47Å; M190-L206 HydrophobicContact SD-CD2 3.26Å; M190-L206 WeakPolarHBondContact SD-CD2 3.5Å; M190-L206 HydrophobicContact SD-CG 4.44Å; F202-L206 HydrophobicContact CE1-CD2 4.1Å; F202-L206 HydrophobicContact CE2-CD2 4.4Å; F202-L206 HydrophobicContact CZ-CD2 3.72Å; F202-L206 WeakPolarHBondContact O-CB 3.28Å; F202-L206 PolarHBondContact O-N 3.44Å; N203-L206 PolarHBondContact O-N 3.49Å; L206-G210 CarbonylContact O-C 3.6Å; L206-G210 WeakPolarHBondContact O-CA 3.36Å; L206-G210 PolarHBondContact O-N 2.85Å; L206-F211 PolarHBondContact O-N 3.49Å |
| 207 | F | 95.5 | Very high | 96.6 | Very high | 24 Ų | 24 | 49.5 Ų | 49.5 | 11% | 0.105 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -67 | -45.5 | 176.3 | -89.6 | -76.3 | 0 | 0 | 0 | 112.3 | M190 N203 F211 L212 C286 L290 | M190-F207 HydrophobicContact CE-CD2 4.37Å; M190-F207 HydrophobicContact CE-CE2 3.34Å; M190-F207 HydrophobicContact CE-CZ 3.52Å; N203-F207 WeakPolarHBondContact O-CB 3.28Å; N203-F207 WeakPolarHBondContact O-CD2 3.36Å; N203-F207 PolarHBondContact O-N 3.05Å; F207-F211 WeakPolarHBondContact O-CB 3.49Å; F207-F211 PolarHBondContact O-N 2.86Å; F207-L212 WeakPolarHBondContact O-CG 3.25Å; F207-L212 PolarHBondContact O-N 3.42Å; F207-C286 HydrophobicContact CE2-CB 4.08Å; F207-C286 HydrophobicContact CZ-CB 3.57Å; F207-L290 HydrophobicContact CD2-CD1 3.43Å; F207-L290 VanDerWaalsContact CD2-CD1 3.43Å; F207-L290 HydrophobicContact CE2-CD1 3.37Å; F207-L290 HydrophobicContact CZ-CD1 4.44Å |
| 208 | G | 96 | Very high | 96.7 | Very high | 26 Ų | 26 | 43.7 Ų | 43.7 | 27% | 0.268 | 22% | 0.223 | S | C | . | . | I | π-helix | trans | -65.3 | -51.9 | -177 | 0 | 0 | 0 | 0 | 0 | 112.7 | I204 G205 L212 C213 | I204-G208 PolarHBondContact O-N 3.44Å; G205-G208 PolarHBondContact O-N 2.97Å; G208-L212 WeakPolarHBondContact O-CB 3.47Å; G208-C213 WeakPolarHBondContact O-CB 3.19Å; G208-C213 PolarHBondContact O-N 3.07Å |
| 209 | F | 96.9 | Very high | 96.8 | Very high | 103 Ų | 103 | 43.6 Ų | 43.6 | 45% | 0.452 | 22% | 0.222 | S | C | . | . | I | π-helix | trans | -100.5 | -32.7 | -170.9 | -63 | -77.5 | 0 | 0 | 0 | 113.6 | W164 W168 G205 P214 | W164-F209 HydrophobicContact CH2-CB 4.3Å; W164-F209 HydrophobicContact CH2-CD1 4.15Å; W164-F209 HydrophobicContact CZ2-CB 3.82Å; W164-F209 HydrophobicContact CZ2-CD1 4.33Å; W164-F209 WeakPolarHBondContact CZ2-O 3.31Å; W164-F209 PolarHBondContact NE1-O 3.24Å; W164-F209 VanDerWaalsContact NE1-O 3.1Å; W168-F209 HydrophobicContact CD2-CB 3.87Å; W168-F209 AromaticContact CE2-CG 3.83Å; W168-F209 HydrophobicContact CE3-CB 4.48Å; W168-F209 HydrophobicContact CG-CB 4.42Å; W168-F209 HydrophobicContact CH2-CB 3.97Å; W168-F209 AromaticContact CH2-CD2 3.26Å; W168-F209 HydrophobicContact CH2-CD2 3.26Å; W168-F209 AromaticContact CH2-CE2 3.84Å; W168-F209 HydrophobicContact CH2-CE2 3.84Å; W168-F209 AromaticContact CH2-CG 3.72Å; W168-F209 HydrophobicContact CH2-CG 3.72Å; W168-F209 HydrophobicContact CZ2-CB 3.25Å; W168-F209 HydrophobicContact CZ2-CD1 4.05Å; W168-F209 AromaticContact CZ2-CD2 3.4Å; W168-F209 HydrophobicContact CZ2-CD2 3.4Å; W168-F209 VanDerWaalsContact CZ2-CD2 3.4Å; W168-F209 HydrophobicContact CZ2-CE2 4.22Å; W168-F209 AromaticContact CZ2-CG 3.3Å; W168-F209 HydrophobicContact CZ2-CG 3.3Å; W168-F209 AromaticContact CZ3-CD2 3.91Å; W168-F209 HydrophobicContact CZ3-CD2 3.91Å; W168-F209 VanDerWaalsContact NE1-CB 3.34Å; G205-F209 WeakPolarHBondContact O-CB 3.21Å; G205-F209 WeakPolarHBondContact O-CD2 3.34Å; G205-F209 PolarHBondContact O-N 2.66Å; F209-P214 WeakPolarHBondContact O-CD 3.47Å |
| 210 | G | 96 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | I | π-helix | trans | -75.8 | -39 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | F122 L206 P214 | F122-G210 VanDerWaalsContact CD1-C 3.49Å; F122-G210 WeakPolarHBondContact CD1-O 3.33Å; L206-G210 CarbonylContact O-C 3.6Å; L206-G210 WeakPolarHBondContact O-CA 3.36Å; L206-G210 PolarHBondContact O-N 2.85Å; G210-P214 WeakPolarHBondContact O-CG 3.48Å |
| 211 | F | 95.5 | Very high | 97 | Very high | 19 Ų | 19 | 43.9 Ų | 43.9 | 8% | 0.083 | 23% | 0.226 | C | C | . | . | I | π-helix | trans | -106.9 | -61.8 | -175.3 | -174.5 | -102.2 | 0 | 0 | 0 | 113.9 | F122 L125 L206 F207 P214 L215 Y275 | F122-F211 HydrophobicContact CE1-CB 4.09Å; L125-F211 HydrophobicContact CD2-CD2 3.8Å; L125-F211 HydrophobicContact CD2-CE2 4.27Å; L125-F211 HydrophobicContact CD2-CG 4.45Å; L125-F211 WeakPolarHBondContact CD2-O 3.23Å; L206-F211 PolarHBondContact O-N 3.49Å; F207-F211 WeakPolarHBondContact O-CB 3.49Å; F207-F211 PolarHBondContact O-N 2.86Å; F211-P214 WeakPolarHBondContact O-CD 3.41Å; F211-P214 WeakPolarHBondContact O-CG 3.46Å; F211-L215 HydrophobicContact CE1-CD2 3.99Å; F211-L215 HydrophobicContact CZ-CD2 4.27Å; F211-L215 VanDerWaalsContact O-CB 3.25Å; F211-L215 WeakPolarHBondContact O-CB 3.43Å; F211-L215 PolarHBondContact O-N 2.86Å; F211-L215 VanDerWaalsContact O-N 3.15Å; F211-Y275 HydrophobicContact CE2-CE1 4.08Å |
| 212 | L | 96.5 | Very high | 96.9 | Very high | 70 Ų | 70 | 41 Ų | 41 | 37% | 0.366 | 21% | 0.21 | S | C | . | . | I | π-helix | trans | -68.3 | -42.3 | -170.7 | -68.8 | 177.7 | 0 | 0 | 0 | 112.9 | F207 G208 L215 F216 | F207-L212 WeakPolarHBondContact O-CG 3.25Å; F207-L212 PolarHBondContact O-N 3.42Å; G208-L212 WeakPolarHBondContact O-CB 3.47Å; L212-L215 PolarHBondContact O-N 3.09Å; L212-F216 HydrophobicContact CB-CD2 4.07Å; L212-F216 HydrophobicContact CB-CE2 3.89Å; L212-F216 HydrophobicContact CD2-CE2 4.11Å; L212-F216 HydrophobicContact CD2-CZ 4.43Å; L212-F216 HydrophobicContact CG-CE2 4.4Å; L212-F216 WeakPolarHBondContact O-CB 3.38Å; L212-F216 WeakPolarHBondContact O-CD2 3.26Å; L212-F216 WeakPolarHBondContact O-CG 3.37Å; L212-F216 PolarHBondContact O-N 2.76Å |
| 213 | C | 97.2 | Very high | 96.9 | Very high | 58 Ų | 58 | 43.1 Ų | 43.1 | 39% | 0.392 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -56.7 | -56.6 | 178.7 | -179.2 | 0 | 0 | 0 | 0 | 113.1 | G208 L215 F216 L217 | G208-C213 WeakPolarHBondContact O-CB 3.19Å; G208-C213 PolarHBondContact O-N 3.07Å; C213-L215 VanDerWaalsContact C-N 3.32Å; C213-L215 PolarHBondContact O-N 2.97Å; C213-F216 PolarHBondContact O-N 2.75Å; C213-L217 WeakPolarHBondContact O-CB 3.27Å; C213-L217 PolarHBondContact O-N 3.46Å |
| 214 | P | 97.6 | Very high | 96.8 | Very high | 7 Ų | 7 | 48.1 Ų | 48.1 | 5% | 0.045 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.4 | -34.7 | 177.3 | 24.5 | -32.9 | 0 | 0 | 0 | 112.2 | L125 A129 F209 G210 F211 L217 S218 | L125-P214 HydrophobicContact CD2-CB 4.47Å; L125-P214 HydrophobicContact CD2-CG 3.85Å; L125-P214 HydrophobicContact CG-CB 4.09Å; L125-P214 HydrophobicContact CG-CG 3.97Å; A129-P214 HydrophobicContact CB-CB 3.83Å; A129-P214 WeakPolarHBondContact CB-O 3.48Å; F209-P214 WeakPolarHBondContact O-CD 3.47Å; G210-P214 WeakPolarHBondContact O-CG 3.48Å; F211-P214 WeakPolarHBondContact O-CD 3.41Å; F211-P214 WeakPolarHBondContact O-CG 3.46Å; P214-L217 PolarHBondContact O-N 3.23Å; P214-S218 PolarHBondContact O-N 3.32Å; P214-S218 PolarHBondContact O-OG 3.35Å; P214-S218 VanDerWaalsContact O-OG 3.04Å |
| 215 | L | 97.4 | Very high | 96.7 | Very high | 16 Ų | 16 | 43.2 Ų | 43.2 | 8% | 0.084 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.4 | -52.6 | 175.3 | 174.1 | 57.4 | 0 | 0 | 0 | 112.3 | F211 L212 C213 L217 S218 L219 L272 L276 | F211-L215 HydrophobicContact CE1-CD2 3.99Å; F211-L215 HydrophobicContact CZ-CD2 4.27Å; F211-L215 VanDerWaalsContact O-CB 3.25Å; F211-L215 WeakPolarHBondContact O-CB 3.43Å; F211-L215 PolarHBondContact O-N 2.86Å; F211-L215 VanDerWaalsContact O-N 3.15Å; L212-L215 PolarHBondContact O-N 3.09Å; C213-L215 VanDerWaalsContact C-N 3.32Å; C213-L215 PolarHBondContact O-N 2.97Å; L215-L217 VanDerWaalsContact C-N 3.3Å; L215-L217 PolarHBondContact O-N 3.04Å; L215-S218 WeakPolarHBondContact O-CB 3.39Å; L215-S218 PolarHBondContact O-N 2.9Å; L215-L219 HydrophobicContact CD1-CD1 3.87Å; L215-L219 HydrophobicContact CD1-CG 4Å; L215-L219 HydrophobicContact CG-CD1 4.02Å; L215-L219 WeakPolarHBondContact O-CG 3.37Å; L215-L219 PolarHBondContact O-N 3.31Å; L215-L272 HydrophobicContact CD1-CD1 4.07Å; L215-L276 HydrophobicContact CD1-CD1 4.12Å; L215-L276 HydrophobicContact CD1-CD2 3.64Å; L215-L276 HydrophobicContact CD1-CG 4.23Å; L215-L276 HydrophobicContact CD2-CD2 4.01Å; L215-L276 HydrophobicContact CG-CD2 4.49Å |
| 216 | F | 97.9 | Very high | 96.6 | Very high | 128 Ų | 128 | 46.6 Ų | 46.6 | 56% | 0.561 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -63 | -38 | 179.1 | -73.9 | -52.8 | 0 | 0 | 0 | 111.7 | L212 C213 L219 F220 | L212-F216 HydrophobicContact CB-CD2 4.07Å; L212-F216 HydrophobicContact CB-CE2 3.89Å; L212-F216 HydrophobicContact CD2-CE2 4.11Å; L212-F216 HydrophobicContact CD2-CZ 4.43Å; L212-F216 HydrophobicContact CG-CE2 4.4Å; L212-F216 WeakPolarHBondContact O-CB 3.38Å; L212-F216 WeakPolarHBondContact O-CD2 3.26Å; L212-F216 WeakPolarHBondContact O-CG 3.37Å; L212-F216 PolarHBondContact O-N 2.76Å; C213-F216 PolarHBondContact O-N 2.75Å; F216-L219 PolarHBondContact O-N 2.97Å; F216-F220 VanDerWaalsContact O-CB 3.22Å; F216-F220 WeakPolarHBondContact O-CB 3.3Å; F216-F220 PolarHBondContact O-N 3.23Å |
| 217 | L | 98.2 | Very high | 96.4 | Very high | 63 Ų | 63 | 50.7 Ų | 50.7 | 33% | 0.33 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.5 | -47.2 | 173.7 | 179.5 | 61 | 0 | 0 | 0 | 111.5 | A129 L133 C213 P214 L215 F220 C221 | A129-L217 HydrophobicContact CB-CD2 4.22Å; A129-L217 HydrophobicContact CB-CG 4.47Å; L133-L217 HydrophobicContact CD1-CD1 4.47Å; L133-L217 HydrophobicContact CD2-CD2 4.41Å; C213-L217 WeakPolarHBondContact O-CB 3.27Å; C213-L217 PolarHBondContact O-N 3.46Å; P214-L217 PolarHBondContact O-N 3.23Å; L215-L217 VanDerWaalsContact C-N 3.3Å; L215-L217 PolarHBondContact O-N 3.04Å; L217-F220 PolarHBondContact O-N 3.36Å; L217-C221 WeakPolarHBondContact O-CB 3.38Å; L217-C221 PolarHBondContact O-N 2.9Å; L217-C221 PolarHBondContact O-SG 2.95Å |
| 218 | S | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.6 | -50.5 | 176 | -62.3 | 0 | 0 | 0 | 0 | 111.8 | A129 P214 L215 F220 C221 Y222 | A129-S218 WeakPolarHBondContact CA-OG 3.27Å; A129-S218 VanDerWaalsContact CB-OG 3.3Å; A129-S218 WeakPolarHBondContact CB-OG 3.24Å; A129-S218 PolarHBondContact N-OG 3.32Å; P214-S218 PolarHBondContact O-N 3.32Å; P214-S218 PolarHBondContact O-OG 3.35Å; P214-S218 VanDerWaalsContact O-OG 3.04Å; L215-S218 WeakPolarHBondContact O-CB 3.39Å; L215-S218 PolarHBondContact O-N 2.9Å; S218-F220 PolarHBondContact O-N 3.31Å; S218-C221 PolarHBondContact O-N 3.24Å; S218-Y222 WeakPolarHBondContact O-CD2 3.3Å; S218-Y222 PolarHBondContact O-N 3.21Å |
| 219 | L | 97.6 | Very high | 95.8 | Very high | 79 Ų | 79 | 50.8 Ų | 50.8 | 41% | 0.414 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | -178.8 | -69.6 | 173.9 | 0 | 0 | 0 | 111.5 | L215 F216 Y222 A223 L272 | L215-L219 HydrophobicContact CD1-CD1 3.87Å; L215-L219 HydrophobicContact CD1-CG 4Å; L215-L219 HydrophobicContact CG-CD1 4.02Å; L215-L219 WeakPolarHBondContact O-CG 3.37Å; L215-L219 PolarHBondContact O-N 3.31Å; F216-L219 PolarHBondContact O-N 2.97Å; L219-Y222 PolarHBondContact O-N 3.21Å; L219-A223 VanDerWaalsContact O-CB 3.28Å; L219-A223 WeakPolarHBondContact O-CB 2.94Å; L219-A223 PolarHBondContact O-N 3.09Å; L219-L272 HydrophobicContact CD2-CD2 4.01Å |
| 220 | F | 98.1 | Very high | 95.4 | Very high | 112 Ų | 112 | 55.4 Ų | 55.4 | 49% | 0.491 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -56.9 | -52 | 174.8 | 172.4 | -97 | 0 | 0 | 0 | 111 | Y136 F216 L217 S218 Y222 A223 R224 | Y136-F220 HydrophobicContact CE1-CE1 4.29Å; F216-F220 VanDerWaalsContact O-CB 3.22Å; F216-F220 WeakPolarHBondContact O-CB 3.3Å; F216-F220 PolarHBondContact O-N 3.23Å; L217-F220 PolarHBondContact O-N 3.36Å; S218-F220 PolarHBondContact O-N 3.31Å; F220-Y222 PolarHBondContact O-N 3.42Å; F220-A223 PolarHBondContact O-N 3.48Å; F220-R224 HydrophobicContact CD1-CG 4.35Å; F220-R224 HydrophobicContact CD2-CG 4.27Å; F220-R224 HydrophobicContact CE1-CG 3.98Å; F220-R224 HydrophobicContact CE2-CG 3.9Å; F220-R224 HydrophobicContact CG-CG 4.49Å; F220-R224 HydrophobicContact CZ-CG 3.75Å; F220-R224 VanDerWaalsContact O-CG 3.28Å; F220-R224 WeakPolarHBondContact O-CG 3.35Å; F220-R224 PolarHBondContact O-N 3.27Å |
| 221 | C | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.9 | -47.3 | -178.3 | -68.6 | 0 | 0 | 0 | 0 | 111.8 | A132 L133 L217 S218 A223 R224 I225 | A132-C221 HydrophobicContact CB-CB 3.73Å; A132-C221 WeakPolarHBondContact O-CB 3.02Å; L133-C221 VanDerWaalsContact CA-SG 3.57Å; L217-C221 WeakPolarHBondContact O-CB 3.38Å; L217-C221 PolarHBondContact O-N 2.9Å; L217-C221 PolarHBondContact O-SG 2.95Å; S218-C221 PolarHBondContact O-N 3.24Å; C221-A223 PolarHBondContact O-N 2.93Å; C221-R224 PolarHBondContact O-N 3.43Å; C221-I225 VanDerWaalsContact O-CG1 3.23Å; C221-I225 WeakPolarHBondContact O-CG1 3.17Å; C221-I225 PolarHBondContact O-N 2.79Å |
| 222 | Y | 96.5 | Very high | 94.5 | Very high | 22 Ų | 22 | 65 Ų | 65 | 9% | 0.086 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.8 | -39 | 178 | -71.5 | -57 | 0 | 0 | 0 | 113 | A132 S218 L219 F220 R224 I225 I226 L265 S268 A269 L272 | A132-Y222 HydrophobicContact CB-CD2 4.17Å; A132-Y222 HydrophobicContact CB-CE1 4.18Å; A132-Y222 HydrophobicContact CB-CE2 3.65Å; S218-Y222 WeakPolarHBondContact O-CD2 3.3Å; S218-Y222 PolarHBondContact O-N 3.21Å; L219-Y222 PolarHBondContact O-N 3.21Å; F220-Y222 PolarHBondContact O-N 3.42Å; Y222-R224 VanDerWaalsContact C-N 3.34Å; Y222-R224 PolarHBondContact O-N 2.9Å; Y222-I225 HydrophobicContact CD1-CD1 4.3Å; Y222-I225 PolarHBondContact O-N 2.84Å; Y222-I226 VanDerWaalsContact O-CG1 3.26Å; Y222-I226 WeakPolarHBondContact O-CG1 3.27Å; Y222-I226 PolarHBondContact O-N 3.2Å; Y222-L265 HydrophobicContact CD1-CD1 4.27Å; Y222-L265 HydrophobicContact CE1-CD1 3.83Å; Y222-S268 WeakPolarHBondContact OH-CB 3.44Å; Y222-S268 PolarHBondContact OH-O 3.48Å; Y222-S268 PolarHBondContact OH-OG 3.35Å; Y222-A269 HydrophobicContact CD1-CB 4.08Å; Y222-A269 HydrophobicContact CE1-CB 3.69Å; Y222-A269 HydrophobicContact CE2-CB 4.48Å; Y222-A269 PolarHBondContact OH-N 2.8Å; Y222-A269 VanDerWaalsContact OH-N 3.14Å; Y222-L272 HydrophobicContact CD2-CD2 3.7Å; Y222-L272 HydrophobicContact CE2-CB 4.35Å; Y222-L272 HydrophobicContact CE2-CD2 3.76Å |
| 223 | A | 96.7 | Very high | 93.7 | Very high | 51 Ų | 51 | 63.3 Ų | 63.3 | 42% | 0.421 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.5 | -46.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | L219 F220 C221 I226 L227 | L219-A223 VanDerWaalsContact O-CB 3.28Å; L219-A223 WeakPolarHBondContact O-CB 2.94Å; L219-A223 PolarHBondContact O-N 3.09Å; F220-A223 PolarHBondContact O-N 3.48Å; C221-A223 PolarHBondContact O-N 2.93Å; A223-I226 PolarHBondContact O-N 3.16Å; A223-L227 WeakPolarHBondContact O-CG 3.18Å; A223-L227 PolarHBondContact O-N 3.26Å |
| 224 | R | 95.9 | Very high | 92.6 | Very high | 106 Ų | 106 | 68.1 Ų | 68.1 | 40% | 0.4 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.2 | -41.7 | 177 | -64.2 | -60.9 | -64.6 | 175.8 | -2.5 | 112.5 | Y136 F220 C221 Y222 I226 L227 I228 | Y136-R224 HydrophobicContact CD2-CB 3.64Å; Y136-R224 HydrophobicContact CE2-CB 3.34Å; Y136-R224 HydrophobicContact CE2-CG 4.01Å; F220-R224 HydrophobicContact CD1-CG 4.35Å; F220-R224 HydrophobicContact CD2-CG 4.27Å; F220-R224 HydrophobicContact CE1-CG 3.98Å; F220-R224 HydrophobicContact CE2-CG 3.9Å; F220-R224 HydrophobicContact CG-CG 4.49Å; F220-R224 HydrophobicContact CZ-CG 3.75Å; F220-R224 VanDerWaalsContact O-CG 3.28Å; F220-R224 WeakPolarHBondContact O-CG 3.35Å; F220-R224 PolarHBondContact O-N 3.27Å; C221-R224 PolarHBondContact O-N 3.43Å; Y222-R224 VanDerWaalsContact C-N 3.34Å; Y222-R224 PolarHBondContact O-N 2.9Å; R224-I226 PolarHBondContact O-N 2.94Å; R224-L227 PolarHBondContact O-N 2.65Å; R224-I228 WeakPolarHBondContact O-CG1 3.37Å; R224-I228 PolarHBondContact O-N 3.45Å |
| 225 | I | 93.2 | Very high | 91.3 | Very high | 10 Ų | 10 | 73 Ų | 73 | 5% | 0.051 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.1 | -47.8 | 174.7 | -69.6 | 163.8 | 0 | 0 | 0 | 110.2 | R135 Y136 I139 C221 Y222 L227 I228 V229 L265 | R135-I225 HydrophobicContact CB-CD1 4.14Å; Y136-I225 HydrophobicContact CD2-CG1 4.23Å; I139-I225 HydrophobicContact CD1-CG1 4.41Å; I139-I225 HydrophobicContact CD1-CG2 4.08Å; C221-I225 VanDerWaalsContact O-CG1 3.23Å; C221-I225 WeakPolarHBondContact O-CG1 3.17Å; C221-I225 PolarHBondContact O-N 2.79Å; Y222-I225 HydrophobicContact CD1-CD1 4.3Å; Y222-I225 PolarHBondContact O-N 2.84Å; I225-L227 VanDerWaalsContact C-N 3.3Å; I225-L227 PolarHBondContact O-N 2.86Å; I225-I228 PolarHBondContact O-N 2.89Å; I225-V229 HydrophobicContact CG2-CG2 4.27Å; I225-V229 VanDerWaalsContact O-CG2 3.25Å; I225-V229 WeakPolarHBondContact O-CG2 3.43Å; I225-V229 PolarHBondContact O-N 3.47Å; I225-L265 HydrophobicContact CD1-CD1 3.75Å; I225-L265 HydrophobicContact CG2-CD1 4.46Å; I225-L265 HydrophobicContact CG2-CD2 4.36Å |
| 226 | I | 93 | Very high | 90.1 | Very high | 81 Ų | 81 | 74 Ų | 74 | 42% | 0.415 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.1 | -42.1 | 178.5 | -69.8 | 165.1 | 0 | 0 | 0 | 111.1 | Y222 A223 R224 V229 R230 | Y222-I226 VanDerWaalsContact O-CG1 3.26Å; Y222-I226 WeakPolarHBondContact O-CG1 3.27Å; Y222-I226 PolarHBondContact O-N 3.2Å; A223-I226 PolarHBondContact O-N 3.16Å; R224-I226 PolarHBondContact O-N 2.94Å; I226-V229 PolarHBondContact O-N 2.91Å; I226-R230 HydrophobicContact CG2-CG 4.48Å; I226-R230 WeakPolarHBondContact O-CB 3.26Å; I226-R230 VanDerWaalsContact O-CG 3.31Å; I226-R230 WeakPolarHBondContact O-CG 3.15Å; I226-R230 PolarHBondContact O-N 3.42Å |
| 227 | L | 94.1 | Very high | 88.8 | Confident | 90 Ų | 90 | 69.6 Ų | 69.6 | 47% | 0.471 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 176.7 | -68.9 | 172.4 | 0 | 0 | 0 | 112.1 | A223 R224 I225 V229 R230 S231 | A223-L227 WeakPolarHBondContact O-CG 3.18Å; A223-L227 PolarHBondContact O-N 3.26Å; R224-L227 PolarHBondContact O-N 2.65Å; I225-L227 VanDerWaalsContact C-N 3.3Å; I225-L227 PolarHBondContact O-N 2.86Å; L227-V229 PolarHBondContact O-N 3.29Å; L227-R230 PolarHBondContact O-N 3.36Å; L227-S231 WeakPolarHBondContact O-CB 3.43Å; L227-S231 PolarHBondContact O-N 3.48Å; L227-S231 PolarHBondContact O-OG 3.46Å |
| 228 | I | 90.5 | Very high | 87.3 | Confident | 18 Ų | 18 | 72.5 Ų | 72.5 | 9% | 0.092 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.7 | -48.1 | 177.1 | -67.4 | 162.3 | 0 | 0 | 0 | 110.3 | Y136 I139 A140 R224 I225 R230 S231 R232 F236 | Y136-I228 HydrophobicContact CD2-CD1 4.32Å; Y136-I228 HydrophobicContact CE2-CD1 4.02Å; I139-I228 HydrophobicContact CG2-CB 4.37Å; I139-I228 HydrophobicContact CG2-CD1 4.33Å; I139-I228 HydrophobicContact CG2-CG2 3.85Å; A140-I228 HydrophobicContact CB-CD1 3.89Å; R224-I228 WeakPolarHBondContact O-CG1 3.37Å; R224-I228 PolarHBondContact O-N 3.45Å; I225-I228 PolarHBondContact O-N 2.89Å; I228-R230 VanDerWaalsContact C-N 3.31Å; I228-R230 PolarHBondContact O-N 2.94Å; I228-S231 PolarHBondContact O-N 2.92Å; I228-S231 VanDerWaalsContact O-N 3.14Å; I228-S231 PolarHBondContact O-OG 3.25Å; I228-R232 PolarHBondContact O-N 3.05Å; I228-F236 HydrophobicContact CG2-CD1 4.19Å; I228-F236 HydrophobicContact CG2-CE1 4.13Å |
| 229 | V | 87.9 | Confident | 85.8 | Confident | 33 Ų | 33 | 78.3 Ų | 78.3 | 20% | 0.2 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.9 | -37.3 | -179.5 | 174.9 | 0 | 0 | 0 | 0 | 112.1 | I225 I226 L227 G233 K234 I237 | I225-V229 HydrophobicContact CG2-CG2 4.27Å; I225-V229 VanDerWaalsContact O-CG2 3.25Å; I225-V229 WeakPolarHBondContact O-CG2 3.43Å; I225-V229 PolarHBondContact O-N 3.47Å; I226-V229 PolarHBondContact O-N 2.91Å; L227-V229 PolarHBondContact O-N 3.29Å; V229-G233 CarbonylContact O-C 3.47Å; V229-G233 WeakPolarHBondContact O-CA 3.42Å; V229-G233 PolarHBondContact O-N 2.82Å; V229-G233 VanDerWaalsContact O-N 3.1Å; V229-K234 HydrophobicContact CG1-CG 4.29Å; V229-I237 HydrophobicContact CB-CD1 4.32Å; V229-I237 HydrophobicContact CG1-CD1 3.99Å; V229-I237 HydrophobicContact CG2-CD1 3.35Å; V229-I237 HydrophobicContact CG2-CG1 3.68Å |
| 230 | R | 89.7 | Confident | 84.4 | Confident | 201 Ų | 201 | 75 Ų | 75 | 76% | 0.758 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -68.1 | -38 | 174.6 | -76.7 | 176.8 | 173.1 | 154.6 | -1.2 | 112.5 | I226 L227 I228 | I226-R230 HydrophobicContact CG2-CG 4.48Å; I226-R230 WeakPolarHBondContact O-CB 3.26Å; I226-R230 VanDerWaalsContact O-CG 3.31Å; I226-R230 WeakPolarHBondContact O-CG 3.15Å; I226-R230 PolarHBondContact O-N 3.42Å; L227-R230 PolarHBondContact O-N 3.36Å; I228-R230 VanDerWaalsContact C-N 3.31Å; I228-R230 PolarHBondContact O-N 2.94Å |
| 231 | S | 88.8 | Confident | 82.6 | Confident | 91 Ų | 91 | 71 Ų | 71 | 64% | 0.636 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -79.1 | -33.8 | -177.8 | 65.6 | 0 | 0 | 0 | 0 | 114.5 | L227 I228 | L227-S231 WeakPolarHBondContact O-CB 3.43Å; L227-S231 PolarHBondContact O-N 3.48Å; L227-S231 PolarHBondContact O-OG 3.46Å; I228-S231 PolarHBondContact O-N 2.92Å; I228-S231 VanDerWaalsContact O-N 3.14Å; I228-S231 PolarHBondContact O-OG 3.25Å |
| 232 | R | 83.8 | Confident | 81 | Confident | 129 Ų | 129 | 73.6 Ų | 73.6 | 49% | 0.487 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -110.4 | -1.4 | -173.2 | -61 | -176.4 | 179.5 | 167.5 | -3 | 114.3 | I228 F236 | I228-R232 PolarHBondContact O-N 3.05Å; R232-F236 HydrophobicContact CB-CB 3.67Å; R232-F236 HydrophobicContact CB-CD1 3.88Å; R232-F236 HydrophobicContact CB-CD2 4.06Å; R232-F236 HydrophobicContact CB-CG 3.58Å; R232-F236 VanDerWaalsContact CD-CE1 3.43Å; R232-F236 VanDerWaalsContact CD-CZ 3.48Å; R232-F236 HydrophobicContact CG-CD1 4.37Å; R232-F236 HydrophobicContact CG-CG 4.32Å; R232-F236 VanDerWaalsContact NH1-CE1 3.29Å; R232-F236 WeakPolarHBondContact O-CB 3.32Å |
| 233 | G | 78 | Confident | 79.2 | Confident | 34 Ų | 34 | 75.6 Ų | 75.6 | 35% | 0.351 | 39% | 0.392 | S | S | . | . | trans | 77.6 | 166.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V229 D235 F236 | V229-G233 CarbonylContact O-C 3.47Å; V229-G233 WeakPolarHBondContact O-CA 3.42Å; V229-G233 PolarHBondContact O-N 2.82Å; V229-G233 VanDerWaalsContact O-N 3.1Å; G233-D235 VanDerWaalsContact C-N 3.33Å; G233-F236 WeakPolarHBondContact O-CB 3.49Å; G233-F236 PolarHBondContact O-N 3.49Å | ||
| 234 | K | 74.7 | Confident | 77.2 | Confident | 160 Ų | 160 | 78.9 Ų | 78.9 | 70% | 0.696 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -68.5 | -33.7 | -178.4 | -68.6 | 177 | -177.8 | 168.8 | 0 | 112.2 | V229 F236 I237 | V229-K234 HydrophobicContact CG1-CG 4.29Å; K234-F236 PolarHBondContact O-N 2.91Å; K234-I237 WeakPolarHBondContact O-CB 3.3Å; K234-I237 WeakPolarHBondContact O-CG1 3.41Å; K234-I237 PolarHBondContact O-N 2.84Å |
| 235 | D | 70.6 | Confident | 75.5 | Confident | 110 Ų | 110 | 74.9 Ų | 74.9 | 59% | 0.588 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -64.1 | -26.1 | -177.1 | -54 | -16.3 | 0 | 0 | 0 | 111.6 | G233 I237 E238 M239 | G233-D235 VanDerWaalsContact C-N 3.33Å; D235-I237 VanDerWaalsContact C-N 3.29Å; D235-I237 PolarHBondContact O-N 3.45Å; D235-E238 PolarHBondContact O-N 3.48Å; D235-M239 HydrophobicContact CB-CE 3.91Å; D235-M239 WeakPolarHBondContact O-CG 3.08Å; D235-M239 PolarHBondContact O-N 2.97Å |
| 236 | F | 73 | Confident | 74 | Confident | 37 Ų | 37 | 80.1 Ų | 80.1 | 16% | 0.162 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -62.7 | -33.1 | 173.8 | -174.3 | -98.3 | 0 | 0 | 0 | 112.9 | P142 I228 R232 G233 K234 E238 M239 A240 | P142-F236 HydrophobicContact CG-CE1 4.49Å; P142-F236 HydrophobicContact CG-CE2 4.41Å; P142-F236 HydrophobicContact CG-CZ 3.73Å; I228-F236 HydrophobicContact CG2-CD1 4.19Å; I228-F236 HydrophobicContact CG2-CE1 4.13Å; R232-F236 HydrophobicContact CB-CB 3.67Å; R232-F236 HydrophobicContact CB-CD1 3.88Å; R232-F236 HydrophobicContact CB-CD2 4.06Å; R232-F236 HydrophobicContact CB-CG 3.58Å; R232-F236 VanDerWaalsContact CD-CE1 3.43Å; R232-F236 VanDerWaalsContact CD-CZ 3.48Å; R232-F236 HydrophobicContact CG-CD1 4.37Å; R232-F236 HydrophobicContact CG-CG 4.32Å; R232-F236 VanDerWaalsContact NH1-CE1 3.29Å; R232-F236 WeakPolarHBondContact O-CB 3.32Å; G233-F236 WeakPolarHBondContact O-CB 3.49Å; G233-F236 PolarHBondContact O-N 3.49Å; K234-F236 PolarHBondContact O-N 2.91Å; F236-E238 VanDerWaalsContact C-N 3.34Å; F236-M239 PolarHBondContact O-N 3.34Å; F236-A240 VanDerWaalsContact O-CB 3.26Å; F236-A240 WeakPolarHBondContact O-CB 3.49Å; F236-A240 PolarHBondContact O-N 3.43Å |
| 237 | I | 68.8 | Low | 72.9 | Confident | 34 Ų | 34 | 81 Ų | 81 | 17% | 0.174 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 176.6 | -52.6 | 174.7 | 0 | 0 | 0 | 110 | I139 V229 K234 D235 A240 A241 | I139-I237 HydrophobicContact CD1-CG2 4.41Å; V229-I237 HydrophobicContact CB-CD1 4.32Å; V229-I237 HydrophobicContact CG1-CD1 3.99Å; V229-I237 HydrophobicContact CG2-CD1 3.35Å; V229-I237 HydrophobicContact CG2-CG1 3.68Å; K234-I237 WeakPolarHBondContact O-CB 3.3Å; K234-I237 WeakPolarHBondContact O-CG1 3.41Å; K234-I237 PolarHBondContact O-N 2.84Å; D235-I237 VanDerWaalsContact C-N 3.29Å; D235-I237 PolarHBondContact O-N 3.45Å; I237-A240 PolarHBondContact O-N 3.31Å; I237-A241 PolarHBondContact O-N 2.94Å |
| 238 | E | 66.8 | Low | 71.8 | Confident | 125 Ų | 125 | 84.7 Ų | 84.7 | 58% | 0.584 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -69.4 | -38.4 | -179.1 | -61.3 | -168.4 | 174 | 0 | 0 | 111 | D235 F236 A241 S242 | D235-E238 PolarHBondContact O-N 3.48Å; F236-E238 VanDerWaalsContact C-N 3.34Å; E238-A241 PolarHBondContact O-N 3.47Å; E238-S242 VanDerWaalsContact O-CB 3.23Å; E238-S242 WeakPolarHBondContact O-CB 3.46Å; E238-S242 PolarHBondContact O-N 2.9Å; E238-S242 VanDerWaalsContact O-N 3.17Å; E238-S242 PolarHBondContact O-OG 3.44Å |
| 239 | M | 67.4 | Low | 70.9 | Confident | 121 Ų | 121 | 92.8 Ų | 92.8 | 60% | 0.596 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.7 | -45 | 173.3 | -73.3 | -174.3 | -116.8 | 0 | 0 | 112.4 | D235 F236 A241 S242 S243 | D235-M239 HydrophobicContact CB-CE 3.91Å; D235-M239 WeakPolarHBondContact O-CG 3.08Å; D235-M239 PolarHBondContact O-N 2.97Å; F236-M239 PolarHBondContact O-N 3.34Å; M239-A241 PolarHBondContact O-N 3.23Å; M239-S242 PolarHBondContact O-N 2.98Å; M239-S243 PolarHBondContact O-N 3.49Å |
| 240 | A | 66.8 | Low | 70.1 | Confident | 11 Ų | 11 | 94.9 Ų | 94.9 | 9% | 0.091 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -56.1 | -35.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | P142 F236 I237 | P142-A240 HydrophobicContact CB-CB 3.61Å; F236-A240 VanDerWaalsContact O-CB 3.26Å; F236-A240 WeakPolarHBondContact O-CB 3.49Å; F236-A240 PolarHBondContact O-N 3.43Å; I237-A240 PolarHBondContact O-N 3.31Å |
| 241 | A | 61.8 | Low | 69.1 | Low | 28 Ų | 28 | 91.1 Ų | 91.1 | 23% | 0.231 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -84.4 | -11.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | I237 E238 M239 S258 | I237-A241 PolarHBondContact O-N 2.94Å; E238-A241 PolarHBondContact O-N 3.47Å; M239-A241 PolarHBondContact O-N 3.23Å; A241-S258 WeakPolarHBondContact CB-OG 3.45Å |
| 242 | S | 62.3 | Low | 68.2 | Low | 54 Ų | 54 | 90.5 Ų | 90.5 | 38% | 0.378 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -113.6 | 1.6 | -168.6 | -56.9 | 0 | 0 | 0 | 0 | 115.4 | E238 M239 K244 | E238-S242 VanDerWaalsContact O-CB 3.23Å; E238-S242 WeakPolarHBondContact O-CB 3.46Å; E238-S242 PolarHBondContact O-N 2.9Å; E238-S242 VanDerWaalsContact O-N 3.17Å; E238-S242 PolarHBondContact O-OG 3.44Å; M239-S242 PolarHBondContact O-N 2.98Å; S242-K244 VanDerWaalsContact C-N 3.29Å; S242-K244 PolarHBondContact O-N 3.15Å |
| 243 | S | 58.9 | Low | 67.7 | Low | 63 Ų | 63 | 86.8 Ų | 86.8 | 44% | 0.441 | 47% | 0.466 | S | S | . | . | trans | -69.2 | 5 | -161.2 | -164.4 | 0 | 0 | 0 | 0 | 118.3 | M239 | M239-S243 PolarHBondContact O-N 3.49Š| ||
| 244 | K | 55.5 | Low | 67.4 | Low | 120 Ų | 120 | 87.2 Ų | 87.2 | 52% | 0.522 | 46% | 0.46 | S | S | . | . | trans | -142.5 | 57.8 | -172.9 | -67.6 | -165.4 | 178 | -169.3 | 0 | 116.2 | S242 N254 | S242-K244 VanDerWaalsContact C-N 3.29Å; S242-K244 PolarHBondContact O-N 3.15Å; K244-N254 PolarHBondContact O-ND2 3.37Å; K244-N254 VanDerWaalsContact O-ND2 3.17Å | ||
| 245 | G | 59.6 | Low | 67.4 | Low | 22 Ų | 22 | 82.9 Ų | 82.9 | 23% | 0.227 | 45% | 0.447 | C | S | . | . | trans | -136.2 | 106.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | K251 | G245-K251 WeakPolarHBondContact O-CE 3.4Š| ||
| 246 | T | 61.8 | Low | 67.6 | Low | 121 Ų | 121 | 79.6 Ų | 79.6 | 74% | 0.742 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -81.8 | -32.6 | 173.1 | 33.5 | 0 | 0 | 0 | 0 | 111.6 | E250 | T246-E250 PolarHBondContact N-OE2 3.17Å; T246-E250 VanDerWaalsContact N-OE2 3.09Å; T246-E250 PolarHBondContact OG1-OE2 3.45Å |
| 247 | N | 70 | Confident | 67.7 | Low | 100 Ų | 100 | 79.6 Ų | 79.6 | 54% | 0.535 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -105.6 | 152.3 | -175.6 | -68.3 | -33.4 | 0 | 0 | 0 | 113.7 | K249 E250 K251 | N247-K249 VanDerWaalsContact C-N 3.3Å; N247-K249 PolarHBondContact O-N 2.88Å; N247-E250 HydrophobicContact CB-CG 4.35Å; N247-E250 PolarHBondContact N-OE2 2.9Å; N247-E250 VanDerWaalsContact N-OE2 3.1Å; N247-E250 WeakPolarHBondContact O-CB 3.39Å; N247-E250 PolarHBondContact O-N 3.33Å; N247-K251 WeakPolarHBondContact O-CG 3.48Å; N247-K251 PolarHBondContact O-N 2.88Å |
| 248 | Q | 71.3 | Confident | 68.2 | Low | 166 Ų | 166 | 78.5 Ų | 78.5 | 78% | 0.776 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -60.4 | -33.3 | -175.3 | -164 | 174.9 | 16.8 | 0 | 0 | 113.9 | S252 | Q248-S252 PolarHBondContact O-N 3.15Å; Q248-S252 PolarHBondContact O-OG 2.79Å |
| 249 | K | 71.6 | Confident | 68.9 | Low | 189 Ų | 189 | 79.2 Ų | 79.2 | 82% | 0.822 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -65.4 | -44 | 173 | -73.4 | -176.6 | 179.8 | 175.9 | 0 | 111.8 | N247 S252 A253 | N247-K249 VanDerWaalsContact C-N 3.3Å; N247-K249 PolarHBondContact O-N 2.88Å; K249-S252 PolarHBondContact O-N 3.43Å; K249-A253 PolarHBondContact O-N 2.86Å |
| 250 | E | 70.8 | Confident | 69.7 | Low | 77 Ų | 77 | 73.4 Ų | 73.4 | 36% | 0.36 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.6 | -42.9 | 177 | -64.4 | 169.2 | 171.1 | 0 | 0 | 110.8 | T246 N247 S252 A253 N254 | T246-E250 PolarHBondContact N-OE2 3.17Å; T246-E250 VanDerWaalsContact N-OE2 3.09Å; T246-E250 PolarHBondContact OG1-OE2 3.45Å; N247-E250 HydrophobicContact CB-CG 4.35Å; N247-E250 PolarHBondContact N-OE2 2.9Å; N247-E250 VanDerWaalsContact N-OE2 3.1Å; N247-E250 WeakPolarHBondContact O-CB 3.39Å; N247-E250 PolarHBondContact O-N 3.33Å; E250-S252 VanDerWaalsContact C-N 3.32Å; E250-S252 PolarHBondContact O-N 3.32Å; E250-A253 PolarHBondContact O-N 3.18Å; E250-N254 VanDerWaalsContact O-CB 3.27Å; E250-N254 WeakPolarHBondContact O-CB 3.27Å; E250-N254 PolarHBondContact O-N 3.29Å; E250-N254 PolarHBondContact O-ND2 3.38Å; E250-N254 PolarHBondContact O-OD1 2.99Å |
| 251 | K | 68.3 | Low | 70.5 | Confident | 121 Ų | 121 | 73.9 Ų | 73.9 | 53% | 0.526 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -56 | -46.2 | 173.9 | -70 | -178.2 | -179 | -178 | 0 | 111.5 | G245 N247 N254 V255 | G245-K251 WeakPolarHBondContact O-CE 3.4Å; N247-K251 WeakPolarHBondContact O-CG 3.48Å; N247-K251 PolarHBondContact O-N 2.88Å; K251-N254 PolarHBondContact O-N 3.41Å; K251-V255 VanDerWaalsContact O-CG2 3.26Å; K251-V255 WeakPolarHBondContact O-CG2 3.22Å; K251-V255 PolarHBondContact O-N 3Å |
| 252 | S | 70.7 | Confident | 71.7 | Confident | 78 Ų | 78 | 74.3 Ų | 74.3 | 55% | 0.545 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 178.9 | -60.1 | 0 | 0 | 0 | 0 | 112.6 | Q248 K249 E250 S256 | Q248-S252 PolarHBondContact O-N 3.15Å; Q248-S252 PolarHBondContact O-OG 2.79Å; K249-S252 PolarHBondContact O-N 3.43Å; E250-S252 VanDerWaalsContact C-N 3.32Å; E250-S252 PolarHBondContact O-N 3.32Å; S252-S256 WeakPolarHBondContact O-CB 3.09Å; S252-S256 PolarHBondContact O-N 3.3Å; S252-S256 VanDerWaalsContact O-N 3.08Å |
| 253 | A | 72.3 | Confident | 73 | Confident | 52 Ų | 52 | 72.4 Ų | 72.4 | 43% | 0.43 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.6 | -45.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | K249 E250 S256 S257 | K249-A253 PolarHBondContact O-N 2.86Å; E250-A253 PolarHBondContact O-N 3.18Å; A253-S256 WeakPolarHBondContact O-CB 3.41Å; A253-S256 PolarHBondContact O-N 3.11Å; A253-S256 VanDerWaalsContact O-N 3.16Å; A253-S256 PolarHBondContact O-OG 2.76Å; A253-S257 PolarHBondContact O-N 3.24Å |
| 254 | N | 71.6 | Confident | 74.4 | Confident | 43 Ų | 43 | 69.6 Ų | 69.6 | 23% | 0.23 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.7 | -45 | 179.2 | -69.5 | -10.4 | 0 | 0 | 0 | 111.8 | K244 E250 K251 S256 S257 S258 | K244-N254 PolarHBondContact O-ND2 3.37Å; K244-N254 VanDerWaalsContact O-ND2 3.17Å; E250-N254 VanDerWaalsContact O-CB 3.27Å; E250-N254 WeakPolarHBondContact O-CB 3.27Å; E250-N254 PolarHBondContact O-N 3.29Å; E250-N254 PolarHBondContact O-ND2 3.38Å; E250-N254 PolarHBondContact O-OD1 2.99Å; K251-N254 PolarHBondContact O-N 3.41Å; N254-S256 VanDerWaalsContact C-N 3.29Å; N254-S256 PolarHBondContact O-N 3.01Å; N254-S257 PolarHBondContact O-N 3.44Å; N254-S258 WeakPolarHBondContact O-CB 2.98Å; N254-S258 PolarHBondContact O-N 3.29Å |
| 255 | V | 74.8 | Confident | 76.1 | Confident | 69 Ų | 69 | 64.8 Ų | 64.8 | 42% | 0.418 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.8 | -41.7 | 174.1 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | K251 S257 S258 K259 | K251-V255 VanDerWaalsContact O-CG2 3.26Å; K251-V255 WeakPolarHBondContact O-CG2 3.22Å; K251-V255 PolarHBondContact O-N 3Å; V255-S257 VanDerWaalsContact C-N 3.33Å; V255-S257 PolarHBondContact O-N 3.25Å; V255-S258 PolarHBondContact O-N 2.8Å; V255-K259 HydrophobicContact CG1-CD 4.4Å; V255-K259 WeakPolarHBondContact O-CG 3.32Å; V255-K259 PolarHBondContact O-N 3.47Å |
| 256 | S | 74.8 | Confident | 77.7 | Confident | 40 Ų | 40 | 69.1 Ų | 69.1 | 28% | 0.28 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.3 | -34.3 | 179.2 | 88.1 | 0 | 0 | 0 | 0 | 112.8 | S252 A253 N254 S260 | S252-S256 WeakPolarHBondContact O-CB 3.09Å; S252-S256 PolarHBondContact O-N 3.3Å; S252-S256 VanDerWaalsContact O-N 3.08Å; A253-S256 WeakPolarHBondContact O-CB 3.41Å; A253-S256 PolarHBondContact O-N 3.11Å; A253-S256 VanDerWaalsContact O-N 3.16Å; A253-S256 PolarHBondContact O-OG 2.76Å; N254-S256 VanDerWaalsContact C-N 3.29Å; N254-S256 PolarHBondContact O-N 3.01Å; S256-S260 PolarHBondContact O-N 3.25Å |
| 257 | S | 76.6 | Confident | 79.2 | Confident | 37 Ų | 37 | 63.5 Ų | 63.5 | 26% | 0.259 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -70.6 | -48.1 | 174.7 | -163.8 | 0 | 0 | 0 | 0 | 110.8 | A253 N254 V255 K259 S260 D261 | A253-S257 PolarHBondContact O-N 3.24Å; N254-S257 PolarHBondContact O-N 3.44Å; V255-S257 VanDerWaalsContact C-N 3.33Å; V255-S257 PolarHBondContact O-N 3.25Å; S257-K259 VanDerWaalsContact C-N 3.3Å; S257-K259 PolarHBondContact O-N 2.96Å; S257-S260 CarbonylContact O-C 3.55Å; S257-S260 WeakPolarHBondContact O-CA 3.47Å; S257-S260 WeakPolarHBondContact O-CB 3.43Å; S257-S260 PolarHBondContact O-N 2.84Å; S257-D261 WeakPolarHBondContact O-CB 3.28Å; S257-D261 VanDerWaalsContact O-CG 3.28Å; S257-D261 PolarHBondContact O-N 3.26Å |
| 258 | S | 78.5 | Confident | 80.3 | Confident | 12 Ų | 12 | 59 Ų | 59 | 8% | 0.084 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56 | -41 | 176.3 | 174.5 | 0 | 0 | 0 | 0 | 112.8 | A241 N254 V255 D261 T262 | A241-S258 WeakPolarHBondContact CB-OG 3.45Å; N254-S258 WeakPolarHBondContact O-CB 2.98Å; N254-S258 PolarHBondContact O-N 3.29Å; V255-S258 PolarHBondContact O-N 2.8Å; S258-D261 PolarHBondContact O-N 3.43Å; S258-T262 WeakPolarHBondContact O-CB 3.34Å; S258-T262 PolarHBondContact O-N 2.96Å; S258-T262 PolarHBondContact O-OG1 3.07Å |
| 259 | K | 81.7 | Confident | 81.5 | Confident | 139 Ų | 139 | 53 Ų | 53 | 60% | 0.604 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -64.9 | -39.3 | 172.8 | -73.1 | 179.3 | -179.3 | 179.6 | 0 | 112.5 | V255 S257 F263 | V255-K259 HydrophobicContact CG1-CD 4.4Å; V255-K259 WeakPolarHBondContact O-CG 3.32Å; V255-K259 PolarHBondContact O-N 3.47Å; S257-K259 VanDerWaalsContact C-N 3.3Å; S257-K259 PolarHBondContact O-N 2.96Å; K259-F263 WeakPolarHBondContact O-CB 3.38Å; K259-F263 PolarHBondContact O-N 3.45Å |
| 260 | S | 83.6 | Confident | 82.7 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 175.1 | -160.2 | 0 | 0 | 0 | 0 | 110.9 | T69 N72 S256 S257 F263 V264 | T69-S260 PolarHBondContact OG1-OG 3.49Å; N72-S260 VanDerWaalsContact CG-OG 3.24Å; N72-S260 PolarHBondContact ND2-OG 2.75Å; N72-S260 PolarHBondContact OD1-OG 3.46Å; S256-S260 PolarHBondContact O-N 3.25Å; S257-S260 CarbonylContact O-C 3.55Å; S257-S260 WeakPolarHBondContact O-CA 3.47Å; S257-S260 WeakPolarHBondContact O-CB 3.43Å; S257-S260 PolarHBondContact O-N 2.84Å; S260-F263 WeakPolarHBondContact O-CB 3.31Å; S260-F263 PolarHBondContact O-N 3.36Å; S260-V264 WeakPolarHBondContact O-CB 3.49Å; S260-V264 VanDerWaalsContact O-CG2 3.29Å; S260-V264 WeakPolarHBondContact O-CG2 3.44Å; S260-V264 PolarHBondContact O-N 2.97Å |
| 261 | D | 84.4 | Confident | 83.9 | Confident | 20 Ų | 20 | 43.4 Ų | 43.4 | 11% | 0.107 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64 | -45.5 | -178.7 | -76.8 | 9.7 | 0 | 0 | 0 | 111.9 | S71 R135 S257 S258 F263 V264 L265 | S71-D261 WeakPolarHBondContact CB-OD1 3.43Å; S71-D261 PolarHBondContact OG-OD1 3.28Å; R135-D261 IonicContact CZ-OD1 3.4Å; R135-D261 IonicContact CZ-OD2 3.98Å; R135-D261 IonicContact NH1-OD1 3.44Å; R135-D261 IonicContact NH1-OD2 3.74Å; R135-D261 PolarHBondContact NH1-OD2 3.31Å; R135-D261 IonicContact NH2-OD1 3.68Å; R135-D261 IonicContact NH2-OD2 3.92Å; S257-D261 WeakPolarHBondContact O-CB 3.28Å; S257-D261 VanDerWaalsContact O-CG 3.28Å; S257-D261 PolarHBondContact O-N 3.26Å; S258-D261 PolarHBondContact O-N 3.43Å; D261-F263 VanDerWaalsContact C-N 3.32Å; D261-F263 PolarHBondContact O-N 2.82Å; D261-V264 PolarHBondContact O-N 2.64Å; D261-L265 VanDerWaalsContact O-CB 3.29Å; D261-L265 WeakPolarHBondContact O-CB 3.49Å; D261-L265 PolarHBondContact O-N 3.24Å |
| 262 | T | 86.3 | Confident | 85.2 | Confident | 37 Ų | 37 | 38 Ų | 38 | 23% | 0.227 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.2 | -40 | 174.3 | -60.6 | 0 | 0 | 0 | 0 | 111.4 | S258 K266 | S258-T262 WeakPolarHBondContact O-CB 3.34Å; S258-T262 PolarHBondContact O-N 2.96Å; S258-T262 PolarHBondContact O-OG1 3.07Å; T262-K266 HydrophobicContact CG2-CD 3.97Å; T262-K266 HydrophobicContact CG2-CG 4.5Å; T262-K266 WeakPolarHBondContact O-CB 3.4Å; T262-K266 WeakPolarHBondContact O-CG 3.27Å; T262-K266 PolarHBondContact O-N 3.41Å |
| 263 | F | 89.6 | Confident | 86.5 | Confident | 14 Ų | 14 | 35.8 Ų | 35.8 | 6% | 0.061 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63 | -50.3 | 175.1 | 158.6 | -105 | 0 | 0 | 0 | 111.4 | F61 K259 S260 D261 L265 K266 S267 Y320 R323 Y324 | F61-F263 HydrophobicContact CZ-CE1 4.46Å; K259-F263 WeakPolarHBondContact O-CB 3.38Å; K259-F263 PolarHBondContact O-N 3.45Å; S260-F263 WeakPolarHBondContact O-CB 3.31Å; S260-F263 PolarHBondContact O-N 3.36Å; D261-F263 VanDerWaalsContact C-N 3.32Å; D261-F263 PolarHBondContact O-N 2.82Å; F263-L265 PolarHBondContact O-N 3.24Å; F263-K266 PolarHBondContact O-N 2.84Å; F263-S267 WeakPolarHBondContact CD2-OG 3.45Å; F263-S267 WeakPolarHBondContact CE2-OG 3.29Å; F263-S267 WeakPolarHBondContact O-CB 3.04Å; F263-S267 PolarHBondContact O-N 2.8Å; F263-S267 PolarHBondContact O-OG 3.25Å; F263-Y320 HydrophobicContact CE2-CD1 4.05Å; F263-Y320 AromaticContact CZ-CD1 3.48Å; F263-Y320 HydrophobicContact CZ-CD1 3.48Å; F263-Y320 VanDerWaalsContact CZ-CD1 3.48Å; F263-Y320 HydrophobicContact CZ-CE1 4.1Å; F263-Y320 HydrophobicContact CZ-CG 4.11Å; F263-R323 HydrophobicContact CE2-CB 4.38Å; F263-Y324 HydrophobicContact CB-CD2 4.07Å; F263-Y324 HydrophobicContact CB-CE2 4.22Å; F263-Y324 AromaticContact CD1-CD1 3.81Å; F263-Y324 HydrophobicContact CD1-CD1 3.81Å; F263-Y324 AromaticContact CD1-CD2 3.77Å; F263-Y324 HydrophobicContact CD1-CD2 3.77Å; F263-Y324 AromaticContact CD1-CE1 3.85Å; F263-Y324 HydrophobicContact CD1-CE1 3.85Å; F263-Y324 AromaticContact CD1-CE2 3.86Å; F263-Y324 HydrophobicContact CD1-CE2 3.86Å; F263-Y324 AromaticContact CD1-CG 3.77Å; F263-Y324 HydrophobicContact CD1-CG 3.77Å; F263-Y324 AromaticContact CD1-CZ 3.9Å; F263-Y324 HydrophobicContact CD2-CD1 4.5Å; F263-Y324 AromaticContact CD2-CD2 3.87Å; F263-Y324 HydrophobicContact CD2-CD2 3.87Å; F263-Y324 AromaticContact CD2-CG 3.77Å; F263-Y324 HydrophobicContact CD2-CG 3.77Å; F263-Y324 AromaticContact CE1-CD1 3.44Å; F263-Y324 HydrophobicContact CE1-CD1 3.44Å; F263-Y324 VanDerWaalsContact CE1-CD1 3.44Å; F263-Y324 HydrophobicContact CE1-CD2 4.21Å; F263-Y324 AromaticContact CE1-CE1 3.71Å; F263-Y324 HydrophobicContact CE1-CE1 3.71Å; F263-Y324 HydrophobicContact CE1-CE2 4.48Å; F263-Y324 AromaticContact CE1-CG 3.7Å; F263-Y324 HydrophobicContact CE1-CG 3.7Å; F263-Y324 HydrophobicContact CE2-CD1 4.21Å; F263-Y324 HydrophobicContact CE2-CD2 4.32Å; F263-Y324 AromaticContact CE2-CG 3.74Å; F263-Y324 HydrophobicContact CE2-CG 3.74Å; F263-Y324 HydrophobicContact CG-CD1 4.32Å; F263-Y324 AromaticContact CG-CD2 3.58Å; F263-Y324 HydrophobicContact CG-CD2 3.58Å; F263-Y324 AromaticContact CG-CE2 3.97Å; F263-Y324 HydrophobicContact CG-CE2 3.97Å; F263-Y324 AromaticContact CG-CG 3.8Å; F263-Y324 HydrophobicContact CG-CG 3.8Å; F263-Y324 AromaticContact CZ-CD1 3.65Å; F263-Y324 HydrophobicContact CZ-CD1 3.65Å; F263-Y324 HydrophobicContact CZ-CD2 4.45Å; F263-Y324 HydrophobicContact CZ-CE1 4.38Å; F263-Y324 AromaticContact CZ-CG 3.68Å; F263-Y324 HydrophobicContact CZ-CG 3.68Å |
| 264 | V | 89.1 | Confident | 87.7 | Confident | 5 Ų | 5 | 34.6 Ų | 34.6 | 3% | 0.03 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.6 | -44.2 | -179.5 | 168.4 | 0 | 0 | 0 | 0 | 110.3 | N72 V75 V131 S260 D261 S268 | N72-V264 WeakPolarHBondContact OD1-CG2 3.27Å; V75-V264 HydrophobicContact CG2-CG2 3.84Å; V131-V264 HydrophobicContact CG1-CG1 3.42Å; V131-V264 VanDerWaalsContact CG1-CG1 3.42Å; V131-V264 HydrophobicContact CG2-CG1 4.27Å; S260-V264 WeakPolarHBondContact O-CB 3.49Å; S260-V264 VanDerWaalsContact O-CG2 3.29Å; S260-V264 WeakPolarHBondContact O-CG2 3.44Å; S260-V264 PolarHBondContact O-N 2.97Å; D261-V264 PolarHBondContact O-N 2.64Å; V264-S268 WeakPolarHBondContact O-CB 3.23Å; V264-S268 PolarHBondContact O-N 3.45Å; V264-S268 PolarHBondContact O-OG 3.09Å |
| 265 | L | 91 | Very high | 88.8 | Confident | 18 Ų | 18 | 33.1 Ų | 33.1 | 9% | 0.094 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.6 | -54.8 | 175.1 | 172.4 | 63 | 0 | 0 | 0 | 112.4 | R135 I139 Y222 I225 D261 F263 S267 S268 A269 | R135-L265 HydrophobicContact CB-CD1 3.76Å; R135-L265 HydrophobicContact CG-CB 3.92Å; R135-L265 HydrophobicContact CG-CD1 3.98Å; I139-L265 HydrophobicContact CD1-CD2 3.77Å; Y222-L265 HydrophobicContact CD1-CD1 4.27Å; Y222-L265 HydrophobicContact CE1-CD1 3.83Å; I225-L265 HydrophobicContact CD1-CD1 3.75Å; I225-L265 HydrophobicContact CG2-CD1 4.46Å; I225-L265 HydrophobicContact CG2-CD2 4.36Å; D261-L265 VanDerWaalsContact O-CB 3.29Å; D261-L265 WeakPolarHBondContact O-CB 3.49Å; D261-L265 PolarHBondContact O-N 3.24Å; F263-L265 PolarHBondContact O-N 3.24Å; L265-S267 VanDerWaalsContact C-N 3.32Å; L265-S267 PolarHBondContact O-N 3.02Å; L265-S268 PolarHBondContact O-OG 3.01Å; L265-A269 PolarHBondContact O-N 2.77Å; L265-A269 VanDerWaalsContact O-N 3.15Å |
| 266 | K | 92.2 | Very high | 89.9 | Confident | 114 Ų | 114 | 32 Ų | 32 | 50% | 0.496 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -67.9 | -35.5 | -175.9 | -72 | 177.8 | -179.7 | 173.3 | 0 | 111.9 | T262 F263 I270 | T262-K266 HydrophobicContact CG2-CD 3.97Å; T262-K266 HydrophobicContact CG2-CG 4.5Å; T262-K266 WeakPolarHBondContact O-CB 3.4Å; T262-K266 WeakPolarHBondContact O-CG 3.27Å; T262-K266 PolarHBondContact O-N 3.41Å; F263-K266 PolarHBondContact O-N 2.84Å; K266-I270 WeakPolarHBondContact O-CG1 3.4Å; K266-I270 PolarHBondContact O-N 3.08Å |
| 267 | S | 93.3 | Very high | 90.9 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.014 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -72.4 | -48.4 | 179.5 | -54.1 | 0 | 0 | 0 | 0 | 110.2 | F263 L265 A269 I270 L271 | F263-S267 WeakPolarHBondContact CD2-OG 3.45Å; F263-S267 WeakPolarHBondContact CE2-OG 3.29Å; F263-S267 WeakPolarHBondContact O-CB 3.04Å; F263-S267 PolarHBondContact O-N 2.8Å; F263-S267 PolarHBondContact O-OG 3.25Å; L265-S267 VanDerWaalsContact C-N 3.32Å; L265-S267 PolarHBondContact O-N 3.02Å; S267-A269 VanDerWaalsContact C-N 3.26Å; S267-A269 PolarHBondContact O-N 3.49Å; S267-I270 CarbonylContact O-C 3.59Å; S267-I270 WeakPolarHBondContact O-CA 3.27Å; S267-I270 WeakPolarHBondContact O-CB 3.29Å; S267-I270 PolarHBondContact O-N 3.17Å; S267-L271 WeakPolarHBondContact O-CG 3.43Å; S267-L271 PolarHBondContact O-N 3.05Å |
| 268 | S | 93.9 | Very high | 91.9 | Very high | 5 Ų | 5 | 34.3 Ų | 34.3 | 4% | 0.035 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.5 | -36 | 176.4 | 56.4 | 0 | 0 | 0 | 0 | 113.6 | V131 Y222 V264 L265 I270 L271 L272 | V131-S268 VanDerWaalsContact CG1-OG 3.23Å; V131-S268 WeakPolarHBondContact CG1-OG 3.44Å; Y222-S268 WeakPolarHBondContact OH-CB 3.44Å; Y222-S268 PolarHBondContact OH-O 3.48Å; Y222-S268 PolarHBondContact OH-OG 3.35Å; V264-S268 WeakPolarHBondContact O-CB 3.23Å; V264-S268 PolarHBondContact O-N 3.45Å; V264-S268 PolarHBondContact O-OG 3.09Å; L265-S268 PolarHBondContact O-OG 3.01Å; S268-I270 PolarHBondContact O-N 3.43Å; S268-L271 PolarHBondContact O-N 3.43Å; S268-L272 PolarHBondContact O-N 3.48Å |
| 269 | A | 95.8 | Very high | 92.8 | Very high | 42 Ų | 42 | 35.4 Ų | 35.4 | 35% | 0.347 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.6 | -40.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y222 L265 S267 G273 | Y222-A269 HydrophobicContact CD1-CB 4.08Å; Y222-A269 HydrophobicContact CE1-CB 3.69Å; Y222-A269 HydrophobicContact CE2-CB 4.48Å; Y222-A269 PolarHBondContact OH-N 2.8Å; Y222-A269 VanDerWaalsContact OH-N 3.14Å; L265-A269 PolarHBondContact O-N 2.77Å; L265-A269 VanDerWaalsContact O-N 3.15Å; S267-A269 VanDerWaalsContact C-N 3.26Å; S267-A269 PolarHBondContact O-N 3.49Å; A269-G273 PolarHBondContact O-N 3.24Å |
| 270 | I | 96.5 | Very high | 93.5 | Very high | 59 Ų | 59 | 31.9 Ų | 31.9 | 30% | 0.303 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -69.1 | -41.7 | 175.4 | -64.6 | 166.6 | 0 | 0 | 0 | 110.1 | K266 S267 S268 L272 G273 V274 I319 R323 | K266-I270 WeakPolarHBondContact O-CG1 3.4Å; K266-I270 PolarHBondContact O-N 3.08Å; S267-I270 CarbonylContact O-C 3.59Å; S267-I270 WeakPolarHBondContact O-CA 3.27Å; S267-I270 WeakPolarHBondContact O-CB 3.29Å; S267-I270 PolarHBondContact O-N 3.17Å; S268-I270 PolarHBondContact O-N 3.43Å; I270-L272 VanDerWaalsContact C-N 3.29Å; I270-L272 PolarHBondContact O-N 2.91Å; I270-G273 PolarHBondContact O-N 2.8Å; I270-G273 VanDerWaalsContact O-N 3.1Å; I270-V274 HydrophobicContact CG2-CG2 4.4Å; I270-V274 WeakPolarHBondContact O-CG2 3.37Å; I270-V274 PolarHBondContact O-N 2.92Å; I270-I319 HydrophobicContact CG2-CD1 3.72Å; I270-I319 HydrophobicContact CG2-CG1 4.23Å; I270-R323 VanDerWaalsContact CD1-CD 3.47Å; I270-R323 VanDerWaalsContact CD1-NE 3.35Å |
| 271 | L | 96.1 | Very high | 94.1 | Very high | 4 Ų | 4 | 34.3 Ų | 34.3 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.3 | -38.4 | 177.8 | -62.4 | 168.4 | 0 | 0 | 0 | 111.2 | L78 I128 S267 S268 V274 Y275 N316 I319 Y320 | L78-L271 HydrophobicContact CD2-CD1 3.88Å; I128-L271 HydrophobicContact CD1-CB 4.1Å; I128-L271 HydrophobicContact CG1-CB 4.47Å; S267-L271 WeakPolarHBondContact O-CG 3.43Å; S267-L271 PolarHBondContact O-N 3.05Å; S268-L271 PolarHBondContact O-N 3.43Å; L271-V274 PolarHBondContact O-N 3.08Å; L271-Y275 WeakPolarHBondContact O-CB 3.27Å; L271-Y275 PolarHBondContact O-N 3.32Å; L271-N316 HydrophobicContact CD2-CB 3.92Å; L271-N316 VanDerWaalsContact CD2-CG 3.47Å; L271-N316 WeakPolarHBondContact CD2-OD1 3.3Å; L271-I319 HydrophobicContact CD2-CB 4.26Å; L271-I319 HydrophobicContact CD2-CD1 3.37Å; L271-I319 HydrophobicContact CD2-CG1 4.39Å; L271-I319 HydrophobicContact CD2-CG2 4.4Å; L271-I319 HydrophobicContact CG-CD1 4.22Å; L271-Y320 HydrophobicContact CD1-CE1 3.8Å; L271-Y320 WeakPolarHBondContact CD1-OH 3.22Å |
| 272 | L | 97 | Very high | 94.7 | Very high | 8 Ų | 8 | 34 Ų | 34 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.8 | -47.1 | 172.2 | -178 | 64.9 | 0 | 0 | 0 | 111.3 | L125 I128 L215 L219 Y222 S268 I270 V274 Y275 L276 | L125-L272 HydrophobicContact CD1-CD1 4.26Å; I128-L272 HydrophobicContact CG2-CB 3.88Å; I128-L272 HydrophobicContact CG2-CD1 4.09Å; L215-L272 HydrophobicContact CD1-CD1 4.07Å; L219-L272 HydrophobicContact CD2-CD2 4.01Å; Y222-L272 HydrophobicContact CD2-CD2 3.7Å; Y222-L272 HydrophobicContact CE2-CB 4.35Å; Y222-L272 HydrophobicContact CE2-CD2 3.76Å; S268-L272 PolarHBondContact O-N 3.48Å; I270-L272 VanDerWaalsContact C-N 3.29Å; I270-L272 PolarHBondContact O-N 2.91Å; L272-V274 PolarHBondContact O-N 3.27Å; L272-Y275 PolarHBondContact O-N 2.91Å; L272-L276 HydrophobicContact CG-CD1 4.34Å; L272-L276 WeakPolarHBondContact O-CB 3.35Å; L272-L276 WeakPolarHBondContact O-CG 3.41Å; L272-L276 PolarHBondContact O-N 3.49Å |
| 273 | G | 97 | Very high | 95.1 | Very high | 31 Ų | 31 | 32.9 Ų | 32.9 | 32% | 0.32 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.9 | -45.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A269 I270 L276 I277 | A269-G273 PolarHBondContact O-N 3.24Å; I270-G273 PolarHBondContact O-N 2.8Å; I270-G273 VanDerWaalsContact O-N 3.1Å; G273-L276 PolarHBondContact O-N 2.97Å; G273-I277 VanDerWaalsContact O-CG1 3.3Å; G273-I277 WeakPolarHBondContact O-CG1 3.48Å; G273-I277 PolarHBondContact O-N 3.03Å |
| 274 | V | 97.1 | Very high | 95.4 | Very high | 27 Ų | 27 | 38.2 Ų | 38.2 | 16% | 0.164 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65 | -43.9 | 176.5 | 173.7 | 0 | 0 | 0 | 0 | 111.6 | I270 L271 L272 L276 I277 C278 W315 I319 | I270-V274 HydrophobicContact CG2-CG2 4.4Å; I270-V274 WeakPolarHBondContact O-CG2 3.37Å; I270-V274 PolarHBondContact O-N 2.92Å; L271-V274 PolarHBondContact O-N 3.08Å; L272-V274 PolarHBondContact O-N 3.27Å; V274-L276 VanDerWaalsContact C-N 3.28Å; V274-L276 PolarHBondContact O-N 3.34Å; V274-I277 PolarHBondContact O-N 3.48Å; V274-I277 VanDerWaalsContact O-N 3.17Å; V274-C278 PolarHBondContact O-N 2.89Å; V274-C278 PolarHBondContact O-SG 3.26Å; V274-C278 VanDerWaalsContact O-SG 3.35Å; V274-W315 HydrophobicContact CG1-CB 3.63Å; V274-W315 VanDerWaalsContact CG1-CD1 3.48Å; V274-W315 HydrophobicContact CG1-CD2 4.31Å; V274-W315 HydrophobicContact CG1-CG 3.52Å; V274-I319 HydrophobicContact CG2-CD1 4.14Å |
| 275 | Y | 96.3 | Very high | 95.8 | Very high | 13 Ų | 13 | 38.3 Ų | 38.3 | 5% | 0.051 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57 | -45.6 | 176.8 | -172.1 | -80.5 | 0 | 0 | 0 | 110.6 | G121 L125 I128 F211 L271 L272 C278 W279 | G121-Y275 PolarHBondContact O-OH 3.5Å; L125-Y275 HydrophobicContact CB-CE1 4.02Å; L125-Y275 HydrophobicContact CB-CE2 4.05Å; L125-Y275 HydrophobicContact CD1-CD1 3.94Å; L125-Y275 HydrophobicContact CD1-CE1 3.87Å; L125-Y275 HydrophobicContact CD2-CE1 3.9Å; L125-Y275 HydrophobicContact CG-CE1 4.13Å; I128-Y275 HydrophobicContact CD1-CD2 4.44Å; F211-Y275 HydrophobicContact CE2-CE1 4.08Å; L271-Y275 WeakPolarHBondContact O-CB 3.27Å; L271-Y275 PolarHBondContact O-N 3.32Å; L272-Y275 PolarHBondContact O-N 2.91Å; Y275-C278 PolarHBondContact O-N 2.9Å; Y275-W279 HydrophobicContact CD1-CB 4.2Å; Y275-W279 AromaticContact CD1-CD1 3.81Å; Y275-W279 HydrophobicContact CD1-CG 4.19Å; Y275-W279 AromaticContact CD2-CD1 3.62Å; Y275-W279 AromaticContact CD2-NE1 3.83Å; Y275-W279 HydrophobicContact CE1-CB 3.89Å; Y275-W279 AromaticContact CE1-CD1 3.63Å; Y275-W279 HydrophobicContact CE1-CD2 4.49Å; Y275-W279 AromaticContact CE1-CG 3.74Å; Y275-W279 HydrophobicContact CE1-CG 3.74Å; Y275-W279 AromaticContact CE2-CD1 3.46Å; Y275-W279 VanDerWaalsContact CE2-CD1 3.46Å; Y275-W279 HydrophobicContact CE2-CG 4.21Å; Y275-W279 AromaticContact CE2-NE1 3.4Å; Y275-W279 AromaticContact CG-CD1 3.79Å; Y275-W279 AromaticContact CZ-CD1 3.45Å; Y275-W279 VanDerWaalsContact CZ-CD1 3.45Å; Y275-W279 AromaticContact CZ-CG 3.75Å; Y275-W279 AromaticContact CZ-NE1 3.66Å; Y275-W279 WeakPolarHBondContact O-CB 3.3Å; Y275-W279 PolarHBondContact O-N 2.92Å |
| 276 | L | 96.6 | Very high | 96 | Very high | 44 Ų | 44 | 37.5 Ų | 37.5 | 23% | 0.23 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.2 | -43.9 | 176.1 | -74.2 | 176.4 | 0 | 0 | 0 | 112.4 | L215 L272 G273 V274 C278 T280 | L215-L276 HydrophobicContact CD1-CD1 4.12Å; L215-L276 HydrophobicContact CD1-CD2 3.64Å; L215-L276 HydrophobicContact CD1-CG 4.23Å; L215-L276 HydrophobicContact CD2-CD2 4.01Å; L215-L276 HydrophobicContact CG-CD2 4.49Å; L272-L276 HydrophobicContact CG-CD1 4.34Å; L272-L276 WeakPolarHBondContact O-CB 3.35Å; L272-L276 WeakPolarHBondContact O-CG 3.41Å; L272-L276 PolarHBondContact O-N 3.49Å; G273-L276 PolarHBondContact O-N 2.97Å; V274-L276 VanDerWaalsContact C-N 3.28Å; V274-L276 PolarHBondContact O-N 3.34Å; L276-C278 VanDerWaalsContact C-N 3.31Å; L276-C278 PolarHBondContact O-N 3.3Å; L276-T280 WeakPolarHBondContact O-CB 3.2Å; L276-T280 PolarHBondContact O-N 3.05Å; L276-T280 PolarHBondContact O-OG1 3.03Å |
| 277 | I | 97.1 | Very high | 96.1 | Very high | 121 Ų | 121 | 35.6 Ų | 35.6 | 62% | 0.621 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -60.3 | -43.4 | 177 | -69.8 | 163.8 | 0 | 0 | 0 | 110.8 | G273 V274 P281 | G273-I277 VanDerWaalsContact O-CG1 3.3Å; G273-I277 WeakPolarHBondContact O-CG1 3.48Å; G273-I277 PolarHBondContact O-N 3.03Å; V274-I277 PolarHBondContact O-N 3.48Å; V274-I277 VanDerWaalsContact O-N 3.17Å; I277-P281 VanDerWaalsContact O-CD 3.28Å; I277-P281 WeakPolarHBondContact O-CD 3.21Å |
| 278 | C | 97.4 | Very high | 96.1 | Very high | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.034 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -75.1 | -43.9 | -177.5 | -64.4 | 0 | 0 | 0 | 0 | 113.2 | V274 Y275 L276 A309 A312 | V274-C278 PolarHBondContact O-N 2.89Å; V274-C278 PolarHBondContact O-SG 3.26Å; V274-C278 VanDerWaalsContact O-SG 3.35Å; Y275-C278 PolarHBondContact O-N 2.9Å; L276-C278 VanDerWaalsContact C-N 3.31Å; L276-C278 PolarHBondContact O-N 3.3Å; C278-A309 WeakPolarHBondContact O-CA 3.2Å; C278-A309 PolarHBondContact O-N 3.26Å; C278-A312 HydrophobicContact CB-CB 3.85Å |
| 279 | W | 96.7 | Very high | 96.1 | Very high | 35 Ų | 35 | 37 Ų | 37 | 13% | 0.133 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -93.3 | -25.9 | -170.1 | -77.2 | 92.1 | 0 | 0 | 0 | 114.7 | F85 Y275 Y282 S283 A309 | F85-W279 AromaticContact CE2-CH2 3.84Å; F85-W279 HydrophobicContact CE2-CH2 3.84Å; F85-W279 AromaticContact CE2-CZ2 3.73Å; F85-W279 HydrophobicContact CE2-CZ2 3.73Å; F85-W279 HydrophobicContact CZ-CH2 4.11Å; F85-W279 AromaticContact CZ-CZ2 3.9Å; F85-W279 HydrophobicContact CZ-CZ2 3.9Å; Y275-W279 HydrophobicContact CD1-CB 4.2Å; Y275-W279 AromaticContact CD1-CD1 3.81Å; Y275-W279 HydrophobicContact CD1-CG 4.19Å; Y275-W279 AromaticContact CD2-CD1 3.62Å; Y275-W279 AromaticContact CD2-NE1 3.83Å; Y275-W279 HydrophobicContact CE1-CB 3.89Å; Y275-W279 AromaticContact CE1-CD1 3.63Å; Y275-W279 HydrophobicContact CE1-CD2 4.49Å; Y275-W279 AromaticContact CE1-CG 3.74Å; Y275-W279 HydrophobicContact CE1-CG 3.74Å; Y275-W279 AromaticContact CE2-CD1 3.46Å; Y275-W279 VanDerWaalsContact CE2-CD1 3.46Å; Y275-W279 HydrophobicContact CE2-CG 4.21Å; Y275-W279 AromaticContact CE2-NE1 3.4Å; Y275-W279 AromaticContact CG-CD1 3.79Å; Y275-W279 AromaticContact CZ-CD1 3.45Å; Y275-W279 VanDerWaalsContact CZ-CD1 3.45Å; Y275-W279 AromaticContact CZ-CG 3.75Å; Y275-W279 AromaticContact CZ-NE1 3.66Å; Y275-W279 WeakPolarHBondContact O-CB 3.3Å; Y275-W279 PolarHBondContact O-N 2.92Å; W279-Y282 HydrophobicContact CZ3-CD1 4.48Å; W279-Y282 PolarHBondContact O-N 3.47Å; W279-S283 WeakPolarHBondContact O-CB 2.98Å; W279-S283 PolarHBondContact O-N 2.74Å; W279-S283 PolarHBondContact O-OG 3.43Å; W279-A309 HydrophobicContact CD2-CB 3.94Å; W279-A309 HydrophobicContact CE3-CB 3.95Å; W279-A309 HydrophobicContact CG-CB 4.39Å; W279-A309 HydrophobicContact CZ3-CB 4.29Å |
| 280 | T | 95.3 | Very high | 95.9 | Very high | 65 Ų | 65 | 36.7 Ų | 36.7 | 40% | 0.399 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.4 | -44.7 | -177.1 | -58.9 | 0 | 0 | 0 | 0 | 112.6 | L276 Y282 S283 F284 | L276-T280 WeakPolarHBondContact O-CB 3.2Å; L276-T280 PolarHBondContact O-N 3.05Å; L276-T280 PolarHBondContact O-OG1 3.03Å; T280-Y282 VanDerWaalsContact C-N 3.31Å; T280-Y282 PolarHBondContact O-N 3.33Å; T280-S283 PolarHBondContact O-N 3.47Å; T280-F284 WeakPolarHBondContact O-CB 3.28Å; T280-F284 PolarHBondContact O-N 2.84Å |
| 281 | P | 96.7 | Very high | 95.7 | Very high | 52 Ų | 52 | 38.9 Ų | 38.9 | 34% | 0.338 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -56.9 | -43.8 | 178.8 | -27.5 | 37.4 | 0 | 0 | 0 | 112.7 | I277 F284 V285 P305 | I277-P281 VanDerWaalsContact O-CD 3.28Å; I277-P281 WeakPolarHBondContact O-CD 3.21Å; P281-F284 PolarHBondContact O-N 2.81Å; P281-V285 WeakPolarHBondContact O-CG2 3.21Å; P281-V285 PolarHBondContact O-N 2.8Å; P281-P305 HydrophobicContact CB-CB 3.84Å; P281-P305 HydrophobicContact CB-CG 4.21Å |
| 282 | Y | 96.9 | Very high | 95.5 | Very high | 13 Ų | 13 | 41.3 Ų | 41.3 | 5% | 0.051 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -71.1 | -43.7 | 179.9 | -177.1 | -108.7 | 0 | 0 | 0 | 111.6 | E182 T189 W279 T280 F284 V285 C286 V302 P305 C306 | E182-Y282 VanDerWaalsContact CD-OH 3.27Å; E182-Y282 PolarHBondContact OE1-OH 3.3Å; E182-Y282 VanDerWaalsContact OE2-CE2 3.3Å; E182-Y282 WeakPolarHBondContact OE2-CE2 3.19Å; E182-Y282 PolarHBondContact OE2-OH 3.5Å; T189-Y282 WeakPolarHBondContact CB-OH 3.29Å; T189-Y282 WeakPolarHBondContact CG2-OH 3.48Å; T189-Y282 PolarHBondContact OG1-OH 2.89Å; W279-Y282 HydrophobicContact CZ3-CD1 4.48Å; W279-Y282 PolarHBondContact O-N 3.47Å; T280-Y282 VanDerWaalsContact C-N 3.31Å; T280-Y282 PolarHBondContact O-N 3.33Å; Y282-F284 PolarHBondContact O-N 3.49Å; Y282-V285 PolarHBondContact O-N 3.02Å; Y282-V285 VanDerWaalsContact O-N 3.16Å; Y282-C286 PolarHBondContact O-N 3.12Å; Y282-C286 PolarHBondContact O-SG 2.9Å; Y282-V302 HydrophobicContact CE2-CG1 4.17Å; Y282-P305 HydrophobicContact CD2-CB 4.43Å; Y282-C306 HydrophobicContact CD2-CB 3.7Å; Y282-C306 HydrophobicContact CE2-CB 3.7Å |
| 283 | S | 95.9 | Very high | 95.4 | Very high | 14 Ų | 14 | 46.8 Ų | 46.8 | 10% | 0.098 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.2 | -38.1 | 176.4 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | W279 T280 L287 | W279-S283 WeakPolarHBondContact O-CB 2.98Å; W279-S283 PolarHBondContact O-N 2.74Å; W279-S283 PolarHBondContact O-OG 3.43Å; T280-S283 PolarHBondContact O-N 3.47Å; S283-L287 VanDerWaalsContact O-CB 3.26Å; S283-L287 WeakPolarHBondContact O-CB 3.18Å; S283-L287 PolarHBondContact O-N 3.02Å |
| 284 | F | 95.7 | Very high | 95.3 | Very high | 125 Ų | 125 | 46 Ų | 46 | 55% | 0.548 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.9 | -45.1 | 176.4 | -179.4 | -103.2 | 0 | 0 | 0 | 112.1 | T280 P281 Y282 C286 L287 M288 | T280-F284 WeakPolarHBondContact O-CB 3.28Å; T280-F284 PolarHBondContact O-N 2.84Å; P281-F284 PolarHBondContact O-N 2.81Å; Y282-F284 PolarHBondContact O-N 3.49Å; F284-C286 PolarHBondContact O-N 3.19Å; F284-L287 PolarHBondContact O-N 2.93Å; F284-M288 HydrophobicContact CD1-CG 4.21Å; F284-M288 HydrophobicContact CD1-SD 3.75Å; F284-M288 HydrophobicContact CE1-CG 3.87Å; F284-M288 HydrophobicContact CE1-SD 3.24Å; F284-M288 WeakPolarHBondContact CE1-SD 3.33Å; F284-M288 HydrophobicContact CE2-CG 4.41Å; F284-M288 HydrophobicContact CZ-CG 3.97Å; F284-M288 HydrophobicContact CZ-SD 3.82Å; F284-M288 WeakPolarHBondContact O-CG 3.39Å; F284-M288 PolarHBondContact O-N 2.88Å |
| 285 | V | 96.2 | Very high | 95.1 | Very high | 8 Ų | 8 | 50.7 Ų | 50.7 | 5% | 0.048 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.7 | -46.3 | 176.7 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | P281 Y282 L287 M288 A289 I297 M301 V302 P305 | P281-V285 WeakPolarHBondContact O-CG2 3.21Å; P281-V285 PolarHBondContact O-N 2.8Å; Y282-V285 PolarHBondContact O-N 3.02Å; Y282-V285 VanDerWaalsContact O-N 3.16Å; V285-L287 VanDerWaalsContact C-N 3.35Å; V285-L287 PolarHBondContact O-N 3.25Å; V285-M288 WeakPolarHBondContact O-CB 3.37Å; V285-M288 PolarHBondContact O-N 3.48Å; V285-A289 PolarHBondContact O-N 2.86Å; V285-I297 HydrophobicContact CG1-CD1 4.12Å; V285-I297 HydrophobicContact CG1-CG1 4.37Å; V285-I297 HydrophobicContact CG1-CG2 4.01Å; V285-I297 WeakPolarHBondContact O-CD1 3.49Å; V285-M301 WeakPolarHBondContact CG2-O 3.16Å; V285-V302 HydrophobicContact CG1-CG2 3.92Å; V285-P305 HydrophobicContact CG2-CG 4.2Å |
| 286 | C | 95.4 | Very high | 95 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 175.8 | -66.3 | 0 | 0 | 0 | 0 | 111.8 | M190 Y192 F207 Y282 F284 A289 L290 | M190-C286 HydrophobicContact CE-CB 3.83Å; Y192-C286 HydrophobicContact CD1-CB 4.23Å; Y192-C286 WeakPolarHBondContact CD1-SG 3.34Å; Y192-C286 HydrophobicContact CG-CB 4.26Å; F207-C286 HydrophobicContact CE2-CB 4.08Å; F207-C286 HydrophobicContact CZ-CB 3.57Å; Y282-C286 PolarHBondContact O-N 3.12Å; Y282-C286 PolarHBondContact O-SG 2.9Å; F284-C286 PolarHBondContact O-N 3.19Å; C286-A289 WeakPolarHBondContact O-CB 3.41Å; C286-A289 PolarHBondContact O-N 3.42Å; C286-L290 WeakPolarHBondContact O-CG 3.32Å; C286-L290 PolarHBondContact O-N 2.89Å |
| 287 | L | 94.3 | Very high | 95 | Very high | 75 Ų | 75 | 55.2 Ų | 55.2 | 39% | 0.393 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.5 | -39.9 | 177.2 | -176.9 | 63.6 | 0 | 0 | 0 | 112.1 | S283 F284 V285 A289 L290 I291 | S283-L287 VanDerWaalsContact O-CB 3.26Å; S283-L287 WeakPolarHBondContact O-CB 3.18Å; S283-L287 PolarHBondContact O-N 3.02Å; F284-L287 PolarHBondContact O-N 2.93Å; V285-L287 VanDerWaalsContact C-N 3.35Å; V285-L287 PolarHBondContact O-N 3.25Å; L287-A289 PolarHBondContact O-N 2.88Å; L287-L290 PolarHBondContact O-N 2.61Å; L287-L290 VanDerWaalsContact O-N 3.13Å; L287-I291 HydrophobicContact CD1-CG2 3.93Å; L287-I291 HydrophobicContact CG-CG2 4.28Å; L287-I291 WeakPolarHBondContact O-CG1 3.44Å; L287-I291 WeakPolarHBondContact O-CG2 3.2Å; L287-I291 PolarHBondContact O-N 2.9Å |
| 288 | M | 94.9 | Very high | 94.9 | Very high | 32 Ų | 32 | 52 Ų | 52 | 16% | 0.158 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -54.7 | -43.9 | 174.1 | -77.2 | 178.3 | 65.9 | 0 | 0 | 111.2 | F284 V285 G292 Y293 I297 | F284-M288 HydrophobicContact CD1-CG 4.21Å; F284-M288 HydrophobicContact CD1-SD 3.75Å; F284-M288 HydrophobicContact CE1-CG 3.87Å; F284-M288 HydrophobicContact CE1-SD 3.24Å; F284-M288 WeakPolarHBondContact CE1-SD 3.33Å; F284-M288 HydrophobicContact CE2-CG 4.41Å; F284-M288 HydrophobicContact CZ-CG 3.97Å; F284-M288 HydrophobicContact CZ-SD 3.82Å; F284-M288 WeakPolarHBondContact O-CG 3.39Å; F284-M288 PolarHBondContact O-N 2.88Å; V285-M288 WeakPolarHBondContact O-CB 3.37Å; V285-M288 PolarHBondContact O-N 3.48Å; M288-G292 PolarHBondContact O-N 3.44Å; M288-Y293 WeakPolarHBondContact O-CA 3.31Å; M288-Y293 WeakPolarHBondContact O-CB 3.44Å; M288-Y293 PolarHBondContact O-N 2.92Å; M288-I297 HydrophobicContact CB-CD1 4.49Å |
| 289 | A | 93.4 | Very high | 94.8 | Very high | 5 Ų | 5 | 52.1 Ų | 52.1 | 4% | 0.041 | 27% | 0.273 | C | S | . | . | I | π-helix | trans | -60.6 | -48.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y192 I193 V285 C286 L287 I291 G292 A294 I297 | Y192-A289 HydrophobicContact CD2-CB 3.71Å; Y192-A289 HydrophobicContact CG-CB 4.41Å; Y192-A289 WeakPolarHBondContact O-CB 3.29Å; I193-A289 HydrophobicContact CD1-CB 4.18Å; V285-A289 PolarHBondContact O-N 2.86Å; C286-A289 WeakPolarHBondContact O-CB 3.41Å; C286-A289 PolarHBondContact O-N 3.42Å; L287-A289 PolarHBondContact O-N 2.88Å; A289-I291 VanDerWaalsContact C-N 3.33Å; A289-I291 PolarHBondContact O-N 2.89Å; A289-G292 PolarHBondContact O-N 3.35Å; A289-G292 VanDerWaalsContact O-N 3.15Å; A289-A294 HydrophobicContact CB-CB 4.33Å; A289-I297 HydrophobicContact CB-CD1 3.47Å; A289-I297 VanDerWaalsContact CB-CD1 3.47Å |
| 290 | L | 90.9 | Very high | 94.7 | Very high | 35 Ų | 35 | 54.9 Ų | 54.9 | 18% | 0.183 | 29% | 0.29 | C | S | . | . | I | π-helix | trans | -64.4 | -34.1 | -177 | -67.7 | 172.7 | 0 | 0 | 0 | 113.6 | N203 F207 C286 L287 G292 | N203-L290 HydrophobicContact CB-CD1 3.78Å; N203-L290 HydrophobicContact CB-CD2 3.48Å; N203-L290 VanDerWaalsContact CB-CD2 3.48Å; N203-L290 HydrophobicContact CB-CG 4.29Å; F207-L290 HydrophobicContact CD2-CD1 3.43Å; F207-L290 VanDerWaalsContact CD2-CD1 3.43Å; F207-L290 HydrophobicContact CE2-CD1 3.37Å; F207-L290 HydrophobicContact CZ-CD1 4.44Å; C286-L290 WeakPolarHBondContact O-CG 3.32Å; C286-L290 PolarHBondContact O-N 2.89Å; L287-L290 PolarHBondContact O-N 2.61Å; L287-L290 VanDerWaalsContact O-N 3.13Å; L290-G292 VanDerWaalsContact C-N 3.3Å |
| 291 | I | 92.6 | Very high | 94.7 | Very high | 105 Ų | 105 | 55.4 Ų | 55.4 | 54% | 0.538 | 29% | 0.289 | S | S | . | . | I | π-helix | trans | -88.7 | 7.5 | 179 | 72.9 | -175.3 | 0 | 0 | 0 | 113.3 | L287 A289 Y293 | L287-I291 HydrophobicContact CD1-CG2 3.93Å; L287-I291 HydrophobicContact CG-CG2 4.28Å; L287-I291 WeakPolarHBondContact O-CG1 3.44Å; L287-I291 WeakPolarHBondContact O-CG2 3.2Å; L287-I291 PolarHBondContact O-N 2.9Å; A289-I291 VanDerWaalsContact C-N 3.33Å; A289-I291 PolarHBondContact O-N 2.89Å; I291-Y293 HydrophobicContact CD1-CD2 4.02Å; I291-Y293 HydrophobicContact CD1-CE2 4.15Å; I291-Y293 HydrophobicContact CG1-CD2 3.67Å; I291-Y293 HydrophobicContact CG1-CE2 4.03Å |
| 292 | G | 92.9 | Very high | 94.6 | Very high | 54 Ų | 54 | 53 Ų | 53 | 56% | 0.557 | 27% | 0.273 | S | S | * | . | I | π-helix | trans | 103.3 | 10.1 | 170 | 0 | 0 | 0 | 0 | 0 | 116.3 | M288 A289 L290 | M288-G292 PolarHBondContact O-N 3.44Å; A289-G292 PolarHBondContact O-N 3.35Å; A289-G292 VanDerWaalsContact O-N 3.15Å; L290-G292 VanDerWaalsContact C-N 3.3Å |
| 293 | Y | 94.9 | Very high | 94.6 | Very high | 123 Ų | 123 | 52.4 Ų | 52.4 | 48% | 0.482 | 27% | 0.271 | S | S | . | . | I | π-helix | trans | -102.1 | 28.5 | 176.3 | -62.1 | -81.3 | 0 | 0 | 0 | 112.9 | M288 I291 D295 Y296 | M288-Y293 WeakPolarHBondContact O-CA 3.31Å; M288-Y293 WeakPolarHBondContact O-CB 3.44Å; M288-Y293 PolarHBondContact O-N 2.92Å; I291-Y293 HydrophobicContact CD1-CD2 4.02Å; I291-Y293 HydrophobicContact CD1-CE2 4.15Å; I291-Y293 HydrophobicContact CG1-CD2 3.67Å; I291-Y293 HydrophobicContact CG1-CE2 4.03Å; Y293-D295 PolarHBondContact O-N 3.27Å; Y293-Y296 AromaticContact CD1-CD2 3.9Å; Y293-Y296 HydrophobicContact CD1-CD2 3.9Å; Y293-Y296 AromaticContact CD1-CE2 3.72Å; Y293-Y296 HydrophobicContact CD1-CE2 3.72Å; Y293-Y296 HydrophobicContact CG-CD2 4.43Å; Y293-Y296 PolarHBondContact O-N 2.83Å |
| 294 | A | 93.7 | Very high | 94.6 | Very high | 16 Ų | 16 | 56.8 Ų | 56.8 | 13% | 0.132 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -57.3 | -35.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y24 I193 A289 Y296 I297 | Y24-A294 PolarHBondContact OH-O 3.11Å; I193-A294 HydrophobicContact CD1-CB 4.03Å; A289-A294 HydrophobicContact CB-CB 4.33Å; A294-Y296 PolarHBondContact O-N 3.1Å; A294-Y296 VanDerWaalsContact O-N 3.11Å; A294-I297 WeakPolarHBondContact O-CB 3.43Å; A294-I297 PolarHBondContact O-N 2.84Å |
| 295 | D | 93.3 | Very high | 94.6 | Very high | 124 Ų | 124 | 51.8 Ų | 51.8 | 66% | 0.663 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -62.2 | -20.6 | -178.2 | -70 | -38.6 | 0 | 0 | 0 | 114.8 | Y293 I297 | Y293-D295 PolarHBondContact O-N 3.27Å; D295-I297 VanDerWaalsContact C-N 3.35Å |
| 296 | Y | 94.2 | Very high | 94.6 | Very high | 153 Ų | 153 | 51.6 Ų | 51.6 | 60% | 0.6 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -85.2 | -10.2 | 176.8 | -64 | -86.2 | 0 | 0 | 0 | 112.9 | Y293 A294 T298 | Y293-Y296 AromaticContact CD1-CD2 3.9Å; Y293-Y296 HydrophobicContact CD1-CD2 3.9Å; Y293-Y296 AromaticContact CD1-CE2 3.72Å; Y293-Y296 HydrophobicContact CD1-CE2 3.72Å; Y293-Y296 HydrophobicContact CG-CD2 4.43Å; Y293-Y296 PolarHBondContact O-N 2.83Å; A294-Y296 PolarHBondContact O-N 3.1Å; A294-Y296 VanDerWaalsContact O-N 3.11Å; Y296-T298 PolarHBondContact O-N 3.1Å |
| 297 | I | 95.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | trans | -84.6 | 116 | -173.4 | -60.7 | 177.7 | 0 | 0 | 0 | 109.7 | Y24 W25 F28 V285 M288 A289 A294 D295 V302 | Y24-I297 PolarHBondContact OH-O 2.97Å; W25-I297 HydrophobicContact CH2-CG2 4.15Å; F28-I297 WeakPolarHBondContact CZ-O 3.44Å; V285-I297 HydrophobicContact CG1-CD1 4.12Å; V285-I297 HydrophobicContact CG1-CG1 4.37Å; V285-I297 HydrophobicContact CG1-CG2 4.01Å; V285-I297 WeakPolarHBondContact O-CD1 3.49Å; M288-I297 HydrophobicContact CB-CD1 4.49Å; A289-I297 HydrophobicContact CB-CD1 3.47Å; A289-I297 VanDerWaalsContact CB-CD1 3.47Å; A294-I297 WeakPolarHBondContact O-CB 3.43Å; A294-I297 PolarHBondContact O-N 2.84Å; D295-I297 VanDerWaalsContact C-N 3.35Å; I297-V302 HydrophobicContact CG2-CG2 3.36Å | ||
| 298 | T | 95.9 | Very high | 94.8 | Very high | 52 Ų | 52 | 51.2 Ų | 51.2 | 32% | 0.319 | 27% | 0.272 | S | S | . | . | trans | -101.2 | 159.2 | 174 | 66.8 | 0 | 0 | 0 | 0 | 111 | F28 Y296 L300 M301 V302 | F28-T298 HydrophobicContact CE1-CG2 4.25Å; Y296-T298 PolarHBondContact O-N 3.1Å; T298-L300 VanDerWaalsContact C-N 3.25Å; T298-L300 PolarHBondContact O-N 2.87Å; T298-M301 HydrophobicContact CG2-SD 4.23Å; T298-M301 WeakPolarHBondContact O-CB 3.46Å; T298-M301 PolarHBondContact O-N 3.01Å; T298-M301 VanDerWaalsContact O-N 3.09Å; T298-M301 VanDerWaalsContact OG1-CG 3.25Å; T298-M301 WeakPolarHBondContact OG1-CG 3.4Å; T298-M301 PolarHBondContact OG1-N 2.75Å; T298-V302 PolarHBondContact O-N 3.05Å | ||
| 299 | P | 95.4 | Very high | 94.9 | Very high | 8 Ų | 8 | 49.8 Ų | 49.8 | 5% | 0.052 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -54.4 | -38.7 | 175.9 | -30.5 | 37.3 | 0 | 0 | 0 | 114.2 | W25 F28 Y184 V302 E303 | W25-P299 HydrophobicContact CE3-CG 4.19Å; W25-P299 HydrophobicContact CZ3-CG 4.14Å; F28-P299 HydrophobicContact CB-CG 3.73Å; F28-P299 VanDerWaalsContact CD1-CD 3.48Å; F28-P299 HydrophobicContact CD1-CG 4.07Å; F28-P299 HydrophobicContact CD2-CG 3.99Å; F28-P299 HydrophobicContact CG-CG 3.67Å; Y184-P299 HydrophobicContact CD1-CB 3.41Å; Y184-P299 VanDerWaalsContact CD1-CB 3.41Å; Y184-P299 HydrophobicContact CE1-CB 3.38Å; Y184-P299 HydrophobicContact CG-CB 4.44Å; P299-V302 PolarHBondContact O-N 3.05Å; P299-E303 WeakPolarHBondContact O-CB 3.5Å; P299-E303 PolarHBondContact O-N 3.1Å |
| 300 | L | 94.1 | Very high | 95 | Very high | 93 Ų | 93 | 50.1 Ų | 50.1 | 49% | 0.487 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.5 | -39.8 | 177.4 | -175.4 | 67.3 | 0 | 0 | 0 | 112.4 | Y184 T298 V302 E303 I304 | Y184-L300 WeakPolarHBondContact OH-CD1 3.38Å; T298-L300 VanDerWaalsContact C-N 3.25Å; T298-L300 PolarHBondContact O-N 2.87Å; L300-V302 PolarHBondContact O-N 3.34Å; L300-E303 PolarHBondContact O-N 3.33Å; L300-I304 HydrophobicContact CD1-CD1 3.69Å; L300-I304 HydrophobicContact CD1-CG1 4.02Å; L300-I304 HydrophobicContact CG-CD1 4.02Å; L300-I304 PolarHBondContact O-N 3.48Å |
| 301 | M | 94.7 | Very high | 95.3 | Very high | 77 Ų | 77 | 49.7 Ų | 49.7 | 38% | 0.379 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65 | -25.7 | 177.2 | -75 | 172.2 | 69 | 0 | 0 | 112.7 | V285 T298 P305 | V285-M301 WeakPolarHBondContact CG2-O 3.16Å; T298-M301 HydrophobicContact CG2-SD 4.23Å; T298-M301 WeakPolarHBondContact O-CB 3.46Å; T298-M301 PolarHBondContact O-N 3.01Å; T298-M301 VanDerWaalsContact O-N 3.09Å; T298-M301 VanDerWaalsContact OG1-CG 3.25Å; T298-M301 WeakPolarHBondContact OG1-CG 3.4Å; T298-M301 PolarHBondContact OG1-N 2.75Å; M301-P305 WeakPolarHBondContact O-CD 3.49Å; M301-P305 WeakPolarHBondContact O-CG 3.4Å |
| 302 | V | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -83 | -47.8 | 172.5 | 176.9 | 0 | 0 | 0 | 0 | 111 | W25 E182 Y192 Y282 V285 I297 T298 P299 L300 I304 P305 C306 | W25-V302 HydrophobicContact CH2-CG2 3.92Å; E182-V302 HydrophobicContact CB-CG1 4.29Å; E182-V302 HydrophobicContact CG-CG1 4.24Å; E182-V302 WeakPolarHBondContact OE2-CG1 3.21Å; Y192-V302 VanDerWaalsContact OH-CG1 3.26Å; Y192-V302 WeakPolarHBondContact OH-CG1 3.34Å; Y192-V302 WeakPolarHBondContact OH-CG2 3.4Å; Y282-V302 HydrophobicContact CE2-CG1 4.17Å; V285-V302 HydrophobicContact CG1-CG2 3.92Å; I297-V302 HydrophobicContact CG2-CG2 3.36Å; T298-V302 PolarHBondContact O-N 3.05Å; P299-V302 PolarHBondContact O-N 3.05Å; L300-V302 PolarHBondContact O-N 3.34Å; V302-I304 PolarHBondContact O-N 3.22Å; V302-P305 WeakPolarHBondContact O-CD 3.41Å; V302-C306 WeakPolarHBondContact O-CB 3.41Å; V302-C306 PolarHBondContact O-N 3.26Å |
| 303 | E | 95.9 | Very high | 95.6 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.009 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.9 | -47.6 | -168.7 | -167.6 | 71.4 | -157.3 | 0 | 0 | 112 | I39 K94 Y184 P299 L300 C306 L307 | I39-E303 HydrophobicContact CD1-CG 3.8Å; K94-E303 WeakPolarHBondContact CE-OE1 3.48Å; K94-E303 IonicContact NZ-OE1 3.2Å; K94-E303 PolarHBondContact NZ-OE1 2.9Å; K94-E303 IonicContact NZ-OE2 2.75Å; Y184-E303 HydrophobicContact CD2-CB 3.9Å; Y184-E303 HydrophobicContact CD2-CG 3.58Å; Y184-E303 HydrophobicContact CE2-CB 3.81Å; Y184-E303 HydrophobicContact CE2-CG 3.73Å; P299-E303 WeakPolarHBondContact O-CB 3.5Å; P299-E303 PolarHBondContact O-N 3.1Å; L300-E303 PolarHBondContact O-N 3.33Å; E303-C306 PolarHBondContact O-N 3.47Å; E303-L307 HydrophobicContact CG-CD1 4.07Å; E303-L307 HydrophobicContact CG-CG 4.37Å; E303-L307 VanDerWaalsContact O-CG 3.26Å; E303-L307 WeakPolarHBondContact O-CG 3.06Å; E303-L307 PolarHBondContact O-N 3.29Å |
| 304 | I | 95.3 | Very high | 95.7 | Very high | 106 Ų | 106 | 38.1 Ų | 38.1 | 54% | 0.544 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.3 | -53 | -177.4 | -68.4 | 172.4 | 0 | 0 | 0 | 111.4 | L300 V302 C306 L307 C308 | L300-I304 HydrophobicContact CD1-CD1 3.69Å; L300-I304 HydrophobicContact CD1-CG1 4.02Å; L300-I304 HydrophobicContact CG-CD1 4.02Å; L300-I304 PolarHBondContact O-N 3.48Å; V302-I304 PolarHBondContact O-N 3.22Å; I304-C306 VanDerWaalsContact C-N 3.33Å; I304-C306 PolarHBondContact O-N 3.18Å; I304-L307 PolarHBondContact O-N 2.97Å; I304-C308 PolarHBondContact O-N 2.9Å; I304-C308 VanDerWaalsContact O-N 3.08Å |
| 305 | P | 97 | Very high | 95.8 | Very high | 19 Ų | 19 | 43 Ų | 43 | 12% | 0.123 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.4 | -39.5 | 173.2 | -31.2 | 41 | 0 | 0 | 0 | 114.4 | P281 Y282 V285 M301 V302 L307 C308 A309 | P281-P305 HydrophobicContact CB-CB 3.84Å; P281-P305 HydrophobicContact CB-CG 4.21Å; Y282-P305 HydrophobicContact CD2-CB 4.43Å; V285-P305 HydrophobicContact CG2-CG 4.2Å; M301-P305 WeakPolarHBondContact O-CD 3.49Å; M301-P305 WeakPolarHBondContact O-CG 3.4Å; V302-P305 WeakPolarHBondContact O-CD 3.41Å; P305-L307 VanDerWaalsContact C-N 3.35Å; P305-L307 PolarHBondContact O-N 2.9Å; P305-C308 WeakPolarHBondContact O-CB 3.24Å; P305-C308 PolarHBondContact O-N 3.35Å; P305-A309 PolarHBondContact O-N 3.31Å |
| 306 | C | 96.6 | Very high | 95.8 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 3% | 0.027 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.7 | -42.7 | 177.8 | -176.1 | 0 | 0 | 0 | 0 | 111.4 | E182 Y282 V302 E303 I304 A309 K310 | E182-C306 PolarHBondContact OE1-SG 3.45Å; Y282-C306 HydrophobicContact CD2-CB 3.7Å; Y282-C306 HydrophobicContact CE2-CB 3.7Å; V302-C306 WeakPolarHBondContact O-CB 3.41Å; V302-C306 PolarHBondContact O-N 3.26Å; E303-C306 PolarHBondContact O-N 3.47Å; I304-C306 VanDerWaalsContact C-N 3.33Å; I304-C306 PolarHBondContact O-N 3.18Å; C306-A309 PolarHBondContact O-N 3.48Å; C306-K310 WeakPolarHBondContact O-CG 3.44Å; C306-K310 PolarHBondContact O-N 3.4Å; C306-K310 VanDerWaalsContact O-N 3.16Å; C306-K310 WeakPolarHBondContact SG-CE 3.4Å |
| 307 | L | 96.6 | Very high | 95.8 | Very high | 21 Ų | 21 | 30.6 Ų | 30.6 | 11% | 0.11 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64 | -40.8 | 175.1 | -67 | 172.6 | 0 | 0 | 0 | 111.9 | I39 F42 E303 I304 P305 K310 T311 | I39-L307 HydrophobicContact CD1-CD1 4.34Å; I39-L307 HydrophobicContact CG1-CD1 3.95Å; I39-L307 HydrophobicContact CG2-CD1 4.27Å; I39-L307 HydrophobicContact CG2-CD2 3.88Å; F42-L307 HydrophobicContact CD1-CD2 4.25Å; F42-L307 HydrophobicContact CE1-CB 4.12Å; F42-L307 HydrophobicContact CE1-CD2 4.41Å; E303-L307 HydrophobicContact CG-CD1 4.07Å; E303-L307 HydrophobicContact CG-CG 4.37Å; E303-L307 VanDerWaalsContact O-CG 3.26Å; E303-L307 WeakPolarHBondContact O-CG 3.06Å; E303-L307 PolarHBondContact O-N 3.29Å; I304-L307 PolarHBondContact O-N 2.97Å; P305-L307 VanDerWaalsContact C-N 3.35Å; P305-L307 PolarHBondContact O-N 2.9Å; L307-K310 PolarHBondContact O-N 3.08Å; L307-T311 WeakPolarHBondContact O-CG2 3.37Å; L307-T311 PolarHBondContact O-N 3.2Å |
| 308 | C | 96.5 | Very high | 95.7 | Very high | 46 Ų | 46 | 32.3 Ų | 32.3 | 31% | 0.311 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -59.6 | -46.9 | 175.4 | -168.9 | 0 | 0 | 0 | 0 | 111.5 | I304 P305 K310 T311 | I304-C308 PolarHBondContact O-N 2.9Å; I304-C308 VanDerWaalsContact O-N 3.08Å; P305-C308 WeakPolarHBondContact O-CB 3.24Å; P305-C308 PolarHBondContact O-N 3.35Å; C308-K310 VanDerWaalsContact C-N 3.28Å; C308-K310 PolarHBondContact O-N 3.24Å; C308-T311 PolarHBondContact O-N 3.03Å; C308-T311 VanDerWaalsContact O-N 3.09Å; C308-T311 PolarHBondContact O-OG1 3.21Å |
| 309 | A | 97.3 | Very high | 95.6 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 2% | 0.017 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56.9 | -41.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | C278 W279 P305 C306 T311 A312 | C278-A309 WeakPolarHBondContact O-CA 3.2Å; C278-A309 PolarHBondContact O-N 3.26Å; W279-A309 HydrophobicContact CD2-CB 3.94Å; W279-A309 HydrophobicContact CE3-CB 3.95Å; W279-A309 HydrophobicContact CG-CB 4.39Å; W279-A309 HydrophobicContact CZ3-CB 4.29Å; P305-A309 PolarHBondContact O-N 3.31Å; C306-A309 PolarHBondContact O-N 3.48Å; A309-T311 PolarHBondContact O-N 2.94Å; A309-A312 WeakPolarHBondContact O-CB 3.29Å; A309-A312 PolarHBondContact O-N 3.44Å; A309-A312 VanDerWaalsContact O-N 3.12Å |
| 310 | K | 96 | Very high | 95.4 | Very high | 13 Ų | 13 | 30.4 Ų | 30.4 | 6% | 0.057 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.5 | -25.5 | 179.8 | -67.2 | 176.1 | -157.7 | -63.2 | 0 | 113.7 | I43 F85 I89 Y113 C306 L307 C308 A312 | I43-K310 HydrophobicContact CD1-CB 3.93Å; I43-K310 HydrophobicContact CD1-CD 3.54Å; I43-K310 HydrophobicContact CD1-CG 4.33Å; I43-K310 HydrophobicContact CG1-CD 4.36Å; F85-K310 HydrophobicContact CE1-CB 4.18Å; F85-K310 HydrophobicContact CE1-CG 4.14Å; F85-K310 HydrophobicContact CZ-CG 4.2Å; I89-K310 HydrophobicContact CG2-CD 3.89Å; I89-K310 HydrophobicContact CG2-CG 3.9Å; Y113-K310 PolarHBondContact OH-NZ 2.75Å; C306-K310 WeakPolarHBondContact O-CG 3.44Å; C306-K310 PolarHBondContact O-N 3.4Å; C306-K310 VanDerWaalsContact O-N 3.16Å; C306-K310 WeakPolarHBondContact SG-CE 3.4Å; L307-K310 PolarHBondContact O-N 3.08Å; C308-K310 VanDerWaalsContact C-N 3.28Å; C308-K310 PolarHBondContact O-N 3.24Å; K310-A312 PolarHBondContact O-N 3.14Å |
| 311 | T | 96.9 | Very high | 95.2 | Very high | 25 Ų | 25 | 27.3 Ų | 27.3 | 15% | 0.153 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -17 | 176.5 | 71.4 | 0 | 0 | 0 | 0 | 113.8 | F42 V46 L307 C308 A309 A313 I314 | F42-T311 HydrophobicContact CE1-CG2 4.28Å; F42-T311 HydrophobicContact CZ-CG2 3.7Å; V46-T311 HydrophobicContact CG2-CG2 4.23Å; L307-T311 WeakPolarHBondContact O-CG2 3.37Å; L307-T311 PolarHBondContact O-N 3.2Å; C308-T311 PolarHBondContact O-N 3.03Å; C308-T311 VanDerWaalsContact O-N 3.09Å; C308-T311 PolarHBondContact O-OG1 3.21Å; A309-T311 PolarHBondContact O-N 2.94Å; T311-A313 PolarHBondContact O-N 2.61Å; T311-A313 VanDerWaalsContact O-N 3.1Å; T311-I314 PolarHBondContact O-N 3.24Å |
| 312 | A | 96.6 | Very high | 95 | Very high | 10 Ų | 10 | 31.3 Ų | 31.3 | 8% | 0.083 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -51.3 | -37.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | C278 A309 K310 I314 W315 | C278-A312 HydrophobicContact CB-CB 3.85Å; A309-A312 WeakPolarHBondContact O-CB 3.29Å; A309-A312 PolarHBondContact O-N 3.44Å; A309-A312 VanDerWaalsContact O-N 3.12Å; K310-A312 PolarHBondContact O-N 3.14Å; A312-I314 PolarHBondContact O-N 2.91Å; A312-W315 PolarHBondContact O-N 3Å |
| 313 | A | 95.3 | Very high | 94.6 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 2% | 0.017 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.8 | -16.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | N54 D82 F85 S86 T311 | N54-A313 PolarHBondContact ND2-O 3.07Å; D82-A313 HydrophobicContact CB-CB 3.92Å; F85-A313 HydrophobicContact CD1-CB 4Å; S86-A313 WeakPolarHBondContact OG-CB 3.37Å; T311-A313 PolarHBondContact O-N 2.61Å; T311-A313 VanDerWaalsContact O-N 3.1Å |
| 314 | I | 96.7 | Very high | 94.1 | Very high | 27 Ų | 27 | 37 Ų | 37 | 14% | 0.138 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -89.6 | -32.4 | -177 | -61.1 | 172 | 0 | 0 | 0 | 111.7 | V46 T49 L53 T311 A312 N316 P317 C318 | V46-I314 HydrophobicContact CB-CD1 3.86Å; V46-I314 HydrophobicContact CG1-CD1 3.7Å; V46-I314 HydrophobicContact CG1-CG1 4.46Å; V46-I314 HydrophobicContact CG2-CD1 3.91Å; V46-I314 WeakPolarHBondContact O-CD1 3.41Å; T49-I314 HydrophobicContact CG2-CG2 4.02Å; L53-I314 HydrophobicContact CD1-CG2 4.07Å; T311-I314 PolarHBondContact O-N 3.24Å; A312-I314 PolarHBondContact O-N 2.91Å; I314-N316 PolarHBondContact O-N 3.03Å; I314-P317 WeakPolarHBondContact O-CD 3.34Å; I314-C318 PolarHBondContact O-SG 3.01Å; I314-C318 VanDerWaalsContact O-SG 3.42Å |
| 315 | W | 95.8 | Very high | 93.7 | Very high | 120 Ų | 120 | 35.8 Ų | 35.8 | 46% | 0.455 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -67.7 | -26.6 | -169.3 | -67.6 | 108.9 | 0 | 0 | 0 | 113.1 | V274 A312 C318 I319 | V274-W315 HydrophobicContact CG1-CB 3.63Å; V274-W315 VanDerWaalsContact CG1-CD1 3.48Å; V274-W315 HydrophobicContact CG1-CD2 4.31Å; V274-W315 HydrophobicContact CG1-CG 3.52Å; A312-W315 PolarHBondContact O-N 3Å; W315-C318 WeakPolarHBondContact O-CB 3.22Å; W315-C318 PolarHBondContact O-N 3.13Å; W315-I319 HydrophobicContact CB-CD1 4.38Å; W315-I319 WeakPolarHBondContact O-CB 3.42Å; W315-I319 WeakPolarHBondContact O-CD1 3.49Å; W315-I319 VanDerWaalsContact O-CG1 3.27Å; W315-I319 WeakPolarHBondContact O-CG1 3.48Å; W315-I319 PolarHBondContact O-N 2.98Å |
| 316 | N | 93.2 | Very high | 93.2 | Very high | 10 Ų | 10 | 37.3 Ų | 37.3 | 5% | 0.053 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.4 | -58.8 | -175 | -63.9 | 9.4 | 0 | 0 | 0 | 111.6 | L78 D82 L271 I314 C318 I319 Y320 | L78-N316 WeakPolarHBondContact CD2-ND2 3.41Å; L78-N316 VanDerWaalsContact CG-ND2 3.33Å; L78-N316 WeakPolarHBondContact CG-ND2 3.46Å; D82-N316 PolarHBondContact OD2-ND2 2.89Å; L271-N316 HydrophobicContact CD2-CB 3.92Å; L271-N316 VanDerWaalsContact CD2-CG 3.47Å; L271-N316 WeakPolarHBondContact CD2-OD1 3.3Å; I314-N316 PolarHBondContact O-N 3.03Å; N316-C318 VanDerWaalsContact C-N 3.3Å; N316-C318 PolarHBondContact O-N 2.98Å; N316-I319 PolarHBondContact O-N 2.86Å; N316-Y320 HydrophobicContact CB-CE2 4.15Å; N316-Y320 WeakPolarHBondContact O-CD2 3.42Å; N316-Y320 PolarHBondContact O-N 2.6Å |
| 317 | P | 93.6 | Very high | 92.8 | Very high | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.032 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -54.1 | -40.1 | 171.3 | -28.2 | 32.8 | 0 | 0 | 0 | 114.8 | L53 N54 V57 I314 Y320 A321 | L53-P317 HydrophobicContact CB-CB 3.56Å; L53-P317 HydrophobicContact CB-CG 3.62Å; L53-P317 HydrophobicContact CD1-CB 4.28Å; L53-P317 HydrophobicContact CG-CB 4.43Å; N54-P317 HydrophobicContact CB-CG 4.45Å; N54-P317 WeakPolarHBondContact OD1-CD 3.23Å; N54-P317 VanDerWaalsContact OD1-CG 3.3Å; N54-P317 WeakPolarHBondContact OD1-CG 3.22Å; V57-P317 HydrophobicContact CG2-CB 3.78Å; V57-P317 HydrophobicContact CG2-CG 3.92Å; I314-P317 WeakPolarHBondContact O-CD 3.34Å; P317-Y320 PolarHBondContact O-N 2.02Å; P317-A321 WeakPolarHBondContact O-CB 3.34Å; P317-A321 PolarHBondContact O-N 3.13Å |
| 318 | C | 93.5 | Very high | 92.4 | Very high | 36 Ų | 36 | 41.4 Ų | 41.4 | 24% | 0.243 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.7 | -50.2 | 178.2 | -65.3 | 0 | 0 | 0 | 0 | 110.6 | I314 W315 N316 Y320 A321 F322 | I314-C318 PolarHBondContact O-SG 3.01Å; I314-C318 VanDerWaalsContact O-SG 3.42Å; W315-C318 WeakPolarHBondContact O-CB 3.22Å; W315-C318 PolarHBondContact O-N 3.13Å; N316-C318 VanDerWaalsContact C-N 3.3Å; N316-C318 PolarHBondContact O-N 2.98Å; C318-Y320 VanDerWaalsContact C-N 3.29Å; C318-Y320 PolarHBondContact O-N 3.05Å; C318-A321 PolarHBondContact O-N 3.4Å; C318-F322 WeakPolarHBondContact O-CD2 3.41Å; C318-F322 PolarHBondContact O-N 3.34Å; C318-F322 VanDerWaalsContact O-N 3.11Å |
| 319 | I | 93.7 | Very high | 92 | Very high | 17 Ų | 17 | 41.4 Ų | 41.4 | 9% | 0.087 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.1 | -42.7 | 177.6 | -71.8 | 162.5 | 0 | 0 | 0 | 110.7 | I270 L271 V274 W315 N316 F322 R323 | I270-I319 HydrophobicContact CG2-CD1 3.72Å; I270-I319 HydrophobicContact CG2-CG1 4.23Å; L271-I319 HydrophobicContact CD2-CB 4.26Å; L271-I319 HydrophobicContact CD2-CD1 3.37Å; L271-I319 HydrophobicContact CD2-CG1 4.39Å; L271-I319 HydrophobicContact CD2-CG2 4.4Å; L271-I319 HydrophobicContact CG-CD1 4.22Å; V274-I319 HydrophobicContact CG2-CD1 4.14Å; W315-I319 HydrophobicContact CB-CD1 4.38Å; W315-I319 WeakPolarHBondContact O-CB 3.42Å; W315-I319 WeakPolarHBondContact O-CD1 3.49Å; W315-I319 VanDerWaalsContact O-CG1 3.27Å; W315-I319 WeakPolarHBondContact O-CG1 3.48Å; W315-I319 PolarHBondContact O-N 2.98Å; N316-I319 PolarHBondContact O-N 2.86Å; I319-F322 PolarHBondContact O-N 3.49Å; I319-R323 HydrophobicContact CG2-CG 4.44Å; I319-R323 VanDerWaalsContact O-CB 3.27Å; I319-R323 WeakPolarHBondContact O-CB 3.06Å; I319-R323 WeakPolarHBondContact O-CG 3.27Å; I319-R323 PolarHBondContact O-N 3.14Å |
| 320 | Y | 92.3 | Very high | 91.7 | Very high | 3 Ų | 3 | 42 Ų | 42 | 1% | 0.012 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.1 | -44.2 | 178.3 | -55.4 | -29 | 0 | 0 | 0 | 112.6 | V57 V75 L78 F263 L271 N316 P317 C318 F322 R323 Y324 | V57-Y320 HydrophobicContact CG1-CD2 4.06Å; V57-Y320 HydrophobicContact CG1-CE2 4.21Å; V57-Y320 HydrophobicContact CG2-CD2 3.95Å; V75-Y320 HydrophobicContact CG1-CD2 4.14Å; V75-Y320 HydrophobicContact CG1-CE1 4.29Å; V75-Y320 HydrophobicContact CG1-CE2 3.58Å; L78-Y320 WeakPolarHBondContact CD2-OH 3Å; F263-Y320 HydrophobicContact CE2-CD1 4.05Å; F263-Y320 AromaticContact CZ-CD1 3.48Å; F263-Y320 HydrophobicContact CZ-CD1 3.48Å; F263-Y320 VanDerWaalsContact CZ-CD1 3.48Å; F263-Y320 HydrophobicContact CZ-CE1 4.1Å; F263-Y320 HydrophobicContact CZ-CG 4.11Å; L271-Y320 HydrophobicContact CD1-CE1 3.8Å; L271-Y320 WeakPolarHBondContact CD1-OH 3.22Å; N316-Y320 HydrophobicContact CB-CE2 4.15Å; N316-Y320 WeakPolarHBondContact O-CD2 3.42Å; N316-Y320 PolarHBondContact O-N 2.6Å; P317-Y320 PolarHBondContact O-N 2.02Å; C318-Y320 VanDerWaalsContact C-N 3.29Å; C318-Y320 PolarHBondContact O-N 3.05Å; Y320-F322 VanDerWaalsContact C-N 3.28Å; Y320-F322 PolarHBondContact O-N 3.46Å; Y320-R323 PolarHBondContact O-N 2.85Å; Y320-Y324 VanDerWaalsContact O-CB 3.27Å; Y320-Y324 WeakPolarHBondContact O-CB 3.37Å; Y320-Y324 PolarHBondContact O-N 3.17Å |
| 321 | A | 90 | Very high | 91.3 | Very high | 29 Ų | 29 | 41.9 Ų | 41.9 | 24% | 0.24 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.8 | -37.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | P317 C318 F327 R328 L331 | P317-A321 WeakPolarHBondContact O-CB 3.34Å; P317-A321 PolarHBondContact O-N 3.13Å; C318-A321 PolarHBondContact O-N 3.4Å; A321-F327 HydrophobicContact CB-CE1 4.16Å; A321-R328 WeakPolarHBondContact O-CB 3.39Å; A321-L331 HydrophobicContact CB-CD1 4.05Å |
| 322 | F | 89.4 | Confident | 90.9 | Very high | 161 Ų | 161 | 42.8 Ų | 42.8 | 71% | 0.706 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -78.4 | -40.4 | 177.4 | -71 | -63.8 | 0 | 0 | 0 | 113.5 | C318 I319 Y320 | C318-F322 WeakPolarHBondContact O-CD2 3.41Å; C318-F322 PolarHBondContact O-N 3.34Å; C318-F322 VanDerWaalsContact O-N 3.11Å; I319-F322 PolarHBondContact O-N 3.49Å; Y320-F322 VanDerWaalsContact C-N 3.28Å; Y320-F322 PolarHBondContact O-N 3.46Å |
| 323 | R | 87.8 | Confident | 90.5 | Very high | 114 Ų | 114 | 48.5 Ų | 48.5 | 43% | 0.43 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -99.6 | -18.1 | -167.5 | -63.7 | -173.4 | 70 | 89.4 | -4 | 115.4 | F263 I270 I319 Y320 P325 | F263-R323 HydrophobicContact CE2-CB 4.38Å; I270-R323 VanDerWaalsContact CD1-CD 3.47Å; I270-R323 VanDerWaalsContact CD1-NE 3.35Å; I319-R323 HydrophobicContact CG2-CG 4.44Å; I319-R323 VanDerWaalsContact O-CB 3.27Å; I319-R323 WeakPolarHBondContact O-CB 3.06Å; I319-R323 WeakPolarHBondContact O-CG 3.27Å; I319-R323 PolarHBondContact O-N 3.14Å; Y320-R323 PolarHBondContact O-N 2.85Å; R323-P325 VanDerWaalsContact O-CD 3.29Å; R323-P325 WeakPolarHBondContact O-CD 3.44Å |
| 324 | Y | 87.1 | Confident | 90.2 | Very high | 6 Ų | 6 | 56 Ų | 56 | 2% | 0.024 | 26% | 0.26 | C | S | . | . | trans | -103.4 | 102.2 | -176.1 | -161.1 | -168.3 | 0 | 0 | 0 | 111.9 | F61 L67 N72 F263 Y320 K326 F327 R328 | F61-Y324 HydrophobicContact CE1-CD1 4.23Å; F61-Y324 AromaticContact CE1-CE1 3.84Å; F61-Y324 HydrophobicContact CE1-CE1 3.84Å; F61-Y324 HydrophobicContact CE2-CD1 4.43Å; F61-Y324 AromaticContact CZ-CD1 3.63Å; F61-Y324 HydrophobicContact CZ-CD1 3.63Å; F61-Y324 AromaticContact CZ-CE1 3.69Å; F61-Y324 HydrophobicContact CZ-CE1 3.69Å; L67-Y324 HydrophobicContact CD2-CD1 4.37Å; L67-Y324 HydrophobicContact CD2-CE1 3.52Å; N72-Y324 PolarHBondContact ND2-OH 2.66Å; F263-Y324 HydrophobicContact CB-CD2 4.07Å; F263-Y324 HydrophobicContact CB-CE2 4.22Å; F263-Y324 AromaticContact CD1-CD1 3.81Å; F263-Y324 HydrophobicContact CD1-CD1 3.81Å; F263-Y324 AromaticContact CD1-CD2 3.77Å; F263-Y324 HydrophobicContact CD1-CD2 3.77Å; F263-Y324 AromaticContact CD1-CE1 3.85Å; F263-Y324 HydrophobicContact CD1-CE1 3.85Å; F263-Y324 AromaticContact CD1-CE2 3.86Å; F263-Y324 HydrophobicContact CD1-CE2 3.86Å; F263-Y324 AromaticContact CD1-CG 3.77Å; F263-Y324 HydrophobicContact CD1-CG 3.77Å; F263-Y324 AromaticContact CD1-CZ 3.9Å; F263-Y324 HydrophobicContact CD2-CD1 4.5Å; F263-Y324 AromaticContact CD2-CD2 3.87Å; F263-Y324 HydrophobicContact CD2-CD2 3.87Å; F263-Y324 AromaticContact CD2-CG 3.77Å; F263-Y324 HydrophobicContact CD2-CG 3.77Å; F263-Y324 AromaticContact CE1-CD1 3.44Å; F263-Y324 HydrophobicContact CE1-CD1 3.44Å; F263-Y324 VanDerWaalsContact CE1-CD1 3.44Å; F263-Y324 HydrophobicContact CE1-CD2 4.21Å; F263-Y324 AromaticContact CE1-CE1 3.71Å; F263-Y324 HydrophobicContact CE1-CE1 3.71Å; F263-Y324 HydrophobicContact CE1-CE2 4.48Å; F263-Y324 AromaticContact CE1-CG 3.7Å; F263-Y324 HydrophobicContact CE1-CG 3.7Å; F263-Y324 HydrophobicContact CE2-CD1 4.21Å; F263-Y324 HydrophobicContact CE2-CD2 4.32Å; F263-Y324 AromaticContact CE2-CG 3.74Å; F263-Y324 HydrophobicContact CE2-CG 3.74Å; F263-Y324 HydrophobicContact CG-CD1 4.32Å; F263-Y324 AromaticContact CG-CD2 3.58Å; F263-Y324 HydrophobicContact CG-CD2 3.58Å; F263-Y324 AromaticContact CG-CE2 3.97Å; F263-Y324 HydrophobicContact CG-CE2 3.97Å; F263-Y324 AromaticContact CG-CG 3.8Å; F263-Y324 HydrophobicContact CG-CG 3.8Å; F263-Y324 AromaticContact CZ-CD1 3.65Å; F263-Y324 HydrophobicContact CZ-CD1 3.65Å; F263-Y324 HydrophobicContact CZ-CD2 4.45Å; F263-Y324 HydrophobicContact CZ-CE1 4.38Å; F263-Y324 AromaticContact CZ-CG 3.68Å; F263-Y324 HydrophobicContact CZ-CG 3.68Å; Y320-Y324 VanDerWaalsContact O-CB 3.27Å; Y320-Y324 WeakPolarHBondContact O-CB 3.37Å; Y320-Y324 PolarHBondContact O-N 3.17Å; Y324-K326 VanDerWaalsContact C-N 3.28Å; Y324-K326 HydrophobicContact CD2-CB 4.33Å; Y324-K326 HydrophobicContact CE2-CB 3.98Å; Y324-K326 HydrophobicContact CE2-CD 4.12Å; Y324-K326 HydrophobicContact CE2-CG 4.22Å; Y324-K326 PolarHBondContact O-N 3Å; Y324-F327 HydrophobicContact CD1-CB 3.57Å; Y324-F327 HydrophobicContact CE1-CB 4.42Å; Y324-F327 HydrophobicContact CG-CB 4.02Å; Y324-F327 PolarHBondContact O-N 2.8Å; Y324-R328 WeakPolarHBondContact O-CB 3.37Å; Y324-R328 PolarHBondContact O-N 3.43Å | ||
| 325 | P | 86.7 | Confident | 89.6 | Confident | 82 Ų | 82 | 58.5 Ų | 58.5 | 53% | 0.532 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.7 | -36.5 | -173.5 | -25.4 | 36.3 | 0 | 0 | 0 | 113.2 | R323 S329 | R323-P325 VanDerWaalsContact O-CD 3.29Å; R323-P325 WeakPolarHBondContact O-CD 3.44Å; P325-S329 VanDerWaalsContact O-CB 3.31Å; P325-S329 WeakPolarHBondContact O-CB 3.14Å; P325-S329 PolarHBondContact O-N 3.05Å; P325-S329 PolarHBondContact O-OG 3.03Å |
| 326 | K | 86.1 | Confident | 88.4 | Confident | 51 Ų | 51 | 55.1 Ų | 55.1 | 22% | 0.222 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62 | -53 | 176.9 | -69.9 | -176.7 | 177.5 | 176.3 | 0 | 110.9 | S66 L67 Y324 S329 L330 | S66-K326 PolarHBondContact O-NZ 3.04Å; L67-K326 HydrophobicContact CD2-CB 3.72Å; L67-K326 HydrophobicContact CD2-CD 4.24Å; Y324-K326 VanDerWaalsContact C-N 3.28Å; Y324-K326 HydrophobicContact CD2-CB 4.33Å; Y324-K326 HydrophobicContact CE2-CB 3.98Å; Y324-K326 HydrophobicContact CE2-CD 4.12Å; Y324-K326 HydrophobicContact CE2-CG 4.22Å; Y324-K326 PolarHBondContact O-N 3Å; K326-S329 PolarHBondContact O-N 3.16Å; K326-S329 PolarHBondContact O-OG 2.83Å; K326-L330 VanDerWaalsContact O-CG 3.32Å; K326-L330 WeakPolarHBondContact O-CG 3.29Å; K326-L330 PolarHBondContact O-N 2.8Å; K326-L330 VanDerWaalsContact O-N 3.09Å |
| 327 | F | 88 | Confident | 87.6 | Confident | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.009 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 178.7 | 177.8 | -125.4 | 0 | 0 | 0 | 111.8 | V57 F60 F61 A321 Y324 S329 L330 L331 | V57-F327 HydrophobicContact CG2-CE1 4.35Å; V57-F327 HydrophobicContact CG2-CZ 3.98Å; F60-F327 HydrophobicContact CB-CD2 3.96Å; F60-F327 HydrophobicContact CB-CE2 3.67Å; F60-F327 AromaticContact CD1-CD2 3.96Å; F60-F327 HydrophobicContact CD1-CD2 3.96Å; F60-F327 AromaticContact CD1-CE2 3.8Å; F60-F327 HydrophobicContact CD1-CE2 3.8Å; F60-F327 HydrophobicContact CG-CD2 4.27Å; F60-F327 AromaticContact CG-CE2 3.83Å; F60-F327 HydrophobicContact CG-CE2 3.83Å; F61-F327 HydrophobicContact CD2-CD2 4.26Å; F61-F327 HydrophobicContact CD2-CE2 4.5Å; F61-F327 HydrophobicContact CE2-CB 4.2Å; F61-F327 HydrophobicContact CE2-CD1 4.37Å; F61-F327 AromaticContact CE2-CD2 3.74Å; F61-F327 HydrophobicContact CE2-CD2 3.74Å; F61-F327 HydrophobicContact CE2-CE2 4.16Å; F61-F327 AromaticContact CE2-CG 3.86Å; F61-F327 HydrophobicContact CE2-CG 3.86Å; A321-F327 HydrophobicContact CB-CE1 4.16Å; Y324-F327 HydrophobicContact CD1-CB 3.57Å; Y324-F327 HydrophobicContact CE1-CB 4.42Å; Y324-F327 HydrophobicContact CG-CB 4.02Å; Y324-F327 PolarHBondContact O-N 2.8Å; F327-S329 VanDerWaalsContact C-N 3.34Å; F327-S329 PolarHBondContact O-N 3.08Å; F327-L330 PolarHBondContact O-N 3.31Å; F327-L330 VanDerWaalsContact O-N 3.13Å; F327-L331 HydrophobicContact CD1-CD1 3.98Å; F327-L331 HydrophobicContact CD2-CD1 4.48Å; F327-L331 HydrophobicContact CD2-CG 4.24Å; F327-L331 HydrophobicContact CE1-CD1 3.59Å; F327-L331 HydrophobicContact CE1-CG 4.31Å; F327-L331 HydrophobicContact CE2-CD1 4.12Å; F327-L331 HydrophobicContact CE2-CD2 3.97Å; F327-L331 HydrophobicContact CE2-CG 3.93Å; F327-L331 HydrophobicContact CG-CD1 4.42Å; F327-L331 HydrophobicContact CZ-CD1 3.67Å; F327-L331 HydrophobicContact CZ-CD2 4.01Å; F327-L331 HydrophobicContact CZ-CG 3.98Å; F327-L331 WeakPolarHBondContact O-CG 3.24Å; F327-L331 PolarHBondContact O-N 3.37Å |
| 328 | R | 88.8 | Confident | 86.4 | Confident | 108 Ų | 108 | 65.8 Ų | 65.8 | 41% | 0.408 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -56.7 | -45.5 | 175.5 | -171.6 | 175.1 | 67.2 | -174.4 | 1.1 | 112.5 | A321 Y324 L330 L331 Q332 | A321-R328 WeakPolarHBondContact O-CB 3.39Å; Y324-R328 WeakPolarHBondContact O-CB 3.37Å; Y324-R328 PolarHBondContact O-N 3.43Å; R328-L330 VanDerWaalsContact C-N 3.3Å; R328-L330 PolarHBondContact O-N 3.32Å; R328-L331 WeakPolarHBondContact O-CB 3.43Å; R328-L331 PolarHBondContact O-N 3.12Å; R328-Q332 VanDerWaalsContact O-CG 3.29Å; R328-Q332 WeakPolarHBondContact O-CG 3.01Å; R328-Q332 PolarHBondContact O-N 2.68Å |
| 329 | S | 88.2 | Confident | 84.7 | Confident | 47 Ų | 47 | 72 Ų | 72 | 33% | 0.329 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.5 | -38.3 | 178.2 | 71.1 | 0 | 0 | 0 | 0 | 112.2 | P325 K326 F327 Q332 Q333 | P325-S329 VanDerWaalsContact O-CB 3.31Å; P325-S329 WeakPolarHBondContact O-CB 3.14Å; P325-S329 PolarHBondContact O-N 3.05Å; P325-S329 PolarHBondContact O-OG 3.03Å; K326-S329 PolarHBondContact O-N 3.16Å; K326-S329 PolarHBondContact O-OG 2.83Å; F327-S329 VanDerWaalsContact C-N 3.34Å; F327-S329 PolarHBondContact O-N 3.08Å; S329-Q332 PolarHBondContact O-N 2.67Å; S329-Q333 WeakPolarHBondContact O-CB 3.27Å; S329-Q333 VanDerWaalsContact O-CG 3.24Å; S329-Q333 WeakPolarHBondContact O-CG 3.37Å; S329-Q333 PolarHBondContact O-N 3.31Å |
| 330 | L | 89.6 | Confident | 83 | Confident | 13 Ų | 13 | 77.7 Ų | 77.7 | 7% | 0.068 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -69.8 | -39.4 | 177.4 | -68.7 | 167.2 | 0 | 0 | 0 | 111.4 | F60 F64 L67 K326 F327 R328 Q333 R334 | F60-L330 HydrophobicContact CD1-CB 3.95Å; F60-L330 HydrophobicContact CE1-CB 4.01Å; F64-L330 HydrophobicContact CB-CD1 3.93Å; F64-L330 HydrophobicContact CD1-CD1 4.27Å; F64-L330 HydrophobicContact CD1-CD2 3.72Å; F64-L330 HydrophobicContact CD2-CD1 3.75Å; F64-L330 HydrophobicContact CD2-CD2 4.32Å; F64-L330 HydrophobicContact CD2-CG 4.43Å; F64-L330 HydrophobicContact CE1-CD2 3.68Å; F64-L330 HydrophobicContact CE2-CB 4.27Å; F64-L330 HydrophobicContact CE2-CD1 4.28Å; F64-L330 HydrophobicContact CE2-CD2 4.27Å; F64-L330 HydrophobicContact CG-CD1 3.73Å; F64-L330 HydrophobicContact CG-CD2 4.05Å; F64-L330 HydrophobicContact CG-CG 4.46Å; F64-L330 HydrophobicContact CZ-CD2 3.95Å; L67-L330 HydrophobicContact CD1-CD1 3.68Å; L67-L330 HydrophobicContact CD2-CD1 4.37Å; L67-L330 HydrophobicContact CG-CD1 3.94Å; K326-L330 VanDerWaalsContact O-CG 3.32Å; K326-L330 WeakPolarHBondContact O-CG 3.29Å; K326-L330 PolarHBondContact O-N 2.8Å; K326-L330 VanDerWaalsContact O-N 3.09Å; F327-L330 PolarHBondContact O-N 3.31Å; F327-L330 VanDerWaalsContact O-N 3.13Å; R328-L330 VanDerWaalsContact C-N 3.3Å; R328-L330 PolarHBondContact O-N 3.32Å; L330-Q333 PolarHBondContact O-N 3.13Å; L330-R334 WeakPolarHBondContact O-CG 3.26Å; L330-R334 PolarHBondContact O-N 3.39Å |
| 331 | L | 89 | Confident | 80.9 | Confident | 11 Ų | 11 | 83.8 Ų | 83.8 | 6% | 0.058 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.1 | -46.8 | 172.7 | -73.4 | 176 | 0 | 0 | 0 | 111 | L56 F60 A321 F327 R328 Q333 R334 F335 L338 | L56-L331 HydrophobicContact CD1-CD2 4.19Å; L56-L331 HydrophobicContact CD2-CD2 3.62Å; L56-L331 HydrophobicContact CG-CD2 4.04Å; F60-L331 HydrophobicContact CD1-CD2 4.2Å; F60-L331 HydrophobicContact CE1-CD2 3.76Å; F60-L331 HydrophobicContact CE1-CG 4.26Å; F60-L331 HydrophobicContact CZ-CD2 4Å; A321-L331 HydrophobicContact CB-CD1 4.05Å; F327-L331 HydrophobicContact CD1-CD1 3.98Å; F327-L331 HydrophobicContact CD2-CD1 4.48Å; F327-L331 HydrophobicContact CD2-CG 4.24Å; F327-L331 HydrophobicContact CE1-CD1 3.59Å; F327-L331 HydrophobicContact CE1-CG 4.31Å; F327-L331 HydrophobicContact CE2-CD1 4.12Å; F327-L331 HydrophobicContact CE2-CD2 3.97Å; F327-L331 HydrophobicContact CE2-CG 3.93Å; F327-L331 HydrophobicContact CG-CD1 4.42Å; F327-L331 HydrophobicContact CZ-CD1 3.67Å; F327-L331 HydrophobicContact CZ-CD2 4.01Å; F327-L331 HydrophobicContact CZ-CG 3.98Å; F327-L331 WeakPolarHBondContact O-CG 3.24Å; F327-L331 PolarHBondContact O-N 3.37Å; R328-L331 WeakPolarHBondContact O-CB 3.43Å; R328-L331 PolarHBondContact O-N 3.12Å; L331-Q333 VanDerWaalsContact C-N 3.32Å; L331-Q333 PolarHBondContact O-N 3.04Å; L331-R334 PolarHBondContact O-N 2.89Å; L331-F335 HydrophobicContact CD2-CD2 4.23Å; L331-F335 HydrophobicContact CD2-CE2 4.32Å; L331-F335 WeakPolarHBondContact O-CA 3.47Å; L331-F335 WeakPolarHBondContact O-CB 3.48Å; L331-F335 PolarHBondContact O-N 3.03Å; L331-L338 HydrophobicContact CB-CD1 4.19Å |
| 332 | Q | 88.2 | Confident | 78.9 | Confident | 45 Ų | 45 | 90.6 Ų | 90.6 | 21% | 0.21 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -67.5 | -29.7 | 178.6 | -70.1 | 179.2 | -29.5 | 0 | 0 | 113.9 | R328 S329 L338 R339 | R328-Q332 VanDerWaalsContact O-CG 3.29Å; R328-Q332 WeakPolarHBondContact O-CG 3.01Å; R328-Q332 PolarHBondContact O-N 2.68Å; S329-Q332 PolarHBondContact O-N 2.67Å; Q332-L338 HydrophobicContact CG-CB 4.34Å; Q332-L338 WeakPolarHBondContact CG-O 3.39Å; Q332-L338 PolarHBondContact NE2-O 3.35Å; Q332-R339 HydrophobicContact CB-CG 4.18Å; Q332-R339 WeakPolarHBondContact O-CG 3.5Å; Q332-R339 PolarHBondContact O-NE 2.77Å |
| 333 | Q | 87.9 | Confident | 76.5 | Confident | 129 Ų | 129 | 89.5 Ų | 89.5 | 60% | 0.603 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -72.9 | -38.9 | 174.6 | -76.7 | 173.7 | 15.1 | 0 | 0 | 111.8 | S329 L330 L331 | S329-Q333 WeakPolarHBondContact O-CB 3.27Å; S329-Q333 VanDerWaalsContact O-CG 3.24Å; S329-Q333 WeakPolarHBondContact O-CG 3.37Å; S329-Q333 PolarHBondContact O-N 3.31Å; L330-Q333 PolarHBondContact O-N 3.13Å; L331-Q333 VanDerWaalsContact C-N 3.32Å; L331-Q333 PolarHBondContact O-N 3.04Å |
| 334 | R | 87.9 | Confident | 74.1 | Confident | 161 Ų | 161 | 95 Ų | 95 | 61% | 0.608 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -85.4 | -38.7 | -178 | -70.2 | -63.8 | -173.1 | 171.7 | 2.3 | 113.5 | F60 F64 L330 L331 | F60-R334 HydrophobicContact CE1-CB 4.48Å; F60-R334 HydrophobicContact CE1-CG 4.25Å; F60-R334 HydrophobicContact CZ-CB 4Å; F60-R334 HydrophobicContact CZ-CG 3.96Å; F64-R334 HydrophobicContact CZ-CG 4.25Å; L330-R334 WeakPolarHBondContact O-CG 3.26Å; L330-R334 PolarHBondContact O-N 3.39Å; L331-R334 PolarHBondContact O-N 2.89Å |
| 335 | F | 85.8 | Confident | 71.9 | Confident | 79 Ų | 79 | 100.1 Ų | 100.1 | 35% | 0.346 | 49% | 0.485 | S | S | . | . | trans | -113.2 | 90 | 179.6 | -59.2 | -72.9 | 0 | 0 | 0 | 108.6 | L56 F60 L331 F337 L338 | L56-F335 HydrophobicContact CD1-CE2 3.78Å; L56-F335 HydrophobicContact CD1-CZ 4.17Å; F60-F335 HydrophobicContact CE2-CE2 4.23Å; F60-F335 HydrophobicContact CZ-CD2 4.45Å; F60-F335 AromaticContact CZ-CE2 3.82Å; F60-F335 HydrophobicContact CZ-CE2 3.82Å; L331-F335 HydrophobicContact CD2-CD2 4.23Å; L331-F335 HydrophobicContact CD2-CE2 4.32Å; L331-F335 WeakPolarHBondContact O-CA 3.47Å; L331-F335 WeakPolarHBondContact O-CB 3.48Å; L331-F335 PolarHBondContact O-N 3.03Å; F335-F337 HydrophobicContact CB-CD1 4.09Å; F335-F337 HydrophobicContact CB-CE1 3.69Å; F335-F337 HydrophobicContact CB-CZ 4.16Å; F335-F337 AromaticContact CD1-CE1 3.99Å; F335-F337 HydrophobicContact CD1-CE1 3.99Å; F335-F337 HydrophobicContact CG-CE1 4.19Å; F335-F337 PolarHBondContact O-N 3.18Å; F335-L338 HydrophobicContact CB-CD1 3.98Å; F335-L338 HydrophobicContact CB-CG 4.26Å; F335-L338 PolarHBondContact O-N 3.36Å | ||
| 336 | G | 70.3 | Confident | 69.7 | Low | 48 Ų | 48 | 103.3 Ų | 103.3 | 50% | 0.495 | 49% | 0.493 | S | S | . | . | G | 310 helix | trans | -55.4 | -27.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L338 R339 | G336-L338 VanDerWaalsContact C-N 3.25Å; G336-L338 PolarHBondContact O-N 2.88Å; G336-R339 WeakPolarHBondContact O-CB 3.27Å; G336-R339 WeakPolarHBondContact O-CG 3.45Å; G336-R339 PolarHBondContact O-N 3.1Å |
| 337 | F | 75.3 | Confident | 67.5 | Low | 168 Ų | 168 | 108.8 Ų | 108.8 | 74% | 0.737 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -69.3 | -17.5 | 177.2 | 71.2 | -96 | 0 | 0 | 0 | 114 | F335 R339 | F335-F337 HydrophobicContact CB-CD1 4.09Å; F335-F337 HydrophobicContact CB-CE1 3.69Å; F335-F337 HydrophobicContact CB-CZ 4.16Å; F335-F337 AromaticContact CD1-CE1 3.99Å; F335-F337 HydrophobicContact CD1-CE1 3.99Å; F335-F337 HydrophobicContact CG-CE1 4.19Å; F335-F337 PolarHBondContact O-N 3.18Å; F337-R339 VanDerWaalsContact C-N 3.3Å |
| 338 | L | 68.3 | Low | 65 | Low | 72 Ų | 72 | 113.3 Ų | 113.3 | 38% | 0.377 | 55% | 0.552 | S | S | . | * | G | 310 helix | trans | -85.3 | -0.9 | 175.8 | -67.8 | 176 | 0 | 0 | 0 | 113.2 | L331 Q332 F335 G336 L340 | L331-L338 HydrophobicContact CB-CD1 4.19Å; Q332-L338 HydrophobicContact CG-CB 4.34Å; Q332-L338 WeakPolarHBondContact CG-O 3.39Å; Q332-L338 PolarHBondContact NE2-O 3.35Å; F335-L338 HydrophobicContact CB-CD1 3.98Å; F335-L338 HydrophobicContact CB-CG 4.26Å; F335-L338 PolarHBondContact O-N 3.36Å; G336-L338 VanDerWaalsContact C-N 3.25Å; G336-L338 PolarHBondContact O-N 2.88Å; L338-L340 PolarHBondContact O-N 3.06Å |
| 339 | R | 58.5 | Low | 62.6 | Low | 167 Ų | 167 | 112.6 Ų | 112.6 | 63% | 0.63 | 56% | 0.563 | S | S | * | * | trans | -66.5 | 94.3 | 176.3 | -73.4 | -176.2 | -177 | -172.7 | 3 | 109.6 | Q332 G336 F337 T341 | Q332-R339 HydrophobicContact CB-CG 4.18Å; Q332-R339 WeakPolarHBondContact O-CG 3.5Å; Q332-R339 PolarHBondContact O-NE 2.77Å; G336-R339 WeakPolarHBondContact O-CB 3.27Å; G336-R339 WeakPolarHBondContact O-CG 3.45Å; G336-R339 PolarHBondContact O-N 3.1Å; F337-R339 VanDerWaalsContact C-N 3.3Å; R339-T341 PolarHBondContact O-N 2.92Å; R339-T341 VanDerWaalsContact O-N 3.14Å | ||
| 340 | L | 58.1 | Low | 60.3 | Low | 136 Ų | 136 | 121.6 Ų | 121.6 | 71% | 0.712 | 59% | 0.59 | S | S | * | * | trans | -61.2 | 114 | 158 | -66.9 | 171.2 | 0 | 0 | 0 | 106.4 | L338 K342 | L338-L340 PolarHBondContact O-N 3.06Å; L340-K342 VanDerWaalsContact C-N 3.31Å; L340-K342 PolarHBondContact O-N 2.86Å | ||
| 341 | T | 48.4 | Very low | 57.9 | Low | 131 Ų | 131 | 123.5 Ų | 123.5 | 80% | 0.804 | 61% | 0.613 | S | S | * | * | trans | -57.7 | 94.9 | 171.8 | 36.2 | 0 | 0 | 0 | 0 | 108.2 | R339 N343 | R339-T341 PolarHBondContact O-N 2.92Å; R339-T341 VanDerWaalsContact O-N 3.14Å; T341-N343 PolarHBondContact O-N 3.18Å; T341-N343 VanDerWaalsContact O-N 3.11Å | ||
| 342 | K | 47.3 | Very low | 55.6 | Low | 172 Ų | 172 | 130.8 Ų | 130.8 | 75% | 0.748 | 65% | 0.647 | S | S | * | * | trans | -68.2 | 112.2 | 169 | -156.2 | -170.8 | -177.7 | -147.6 | 0 | 105.7 | L340 R344 E346 | L340-K342 VanDerWaalsContact C-N 3.31Å; L340-K342 PolarHBondContact O-N 2.86Å; K342-R344 PolarHBondContact O-N 2.6Å; K342-E346 IonicContact NZ-OE2 2.8Å; K342-E346 PolarHBondContact NZ-OE2 3.42Å | ||
| 343 | N | 39.6 | Very low | 53.3 | Low | 137 Ų | 137 | 136.7 Ų | 136.7 | 73% | 0.733 | 68% | 0.678 | S | S | * | * | trans | -45.1 | 135.4 | 178.5 | -83.3 | -24.7 | 0 | 0 | 0 | 111.2 | T341 T345 | T341-N343 PolarHBondContact O-N 3.18Å; T341-N343 VanDerWaalsContact O-N 3.11Å; N343-T345 PolarHBondContact O-N 3.38Å | ||
| 344 | R | 37.7 | Very low | 51 | Low | 230 Ų | 230 | 135.2 Ų | 135.2 | 87% | 0.868 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -70.2 | 24.5 | -170.2 | -140.1 | 175.9 | -168.7 | 178.9 | 1.3 | 114 | K342 E346 | K342-R344 PolarHBondContact O-N 2.6Å; R344-E346 PolarHBondContact O-N 3.43Å |
| 345 | T | 40 | Very low | 48.7 | Very low | 114 Ų | 114 | 133 Ų | 133 | 70% | 0.699 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -0.9 | -163.7 | -11.9 | 0 | 0 | 0 | 0 | 115.4 | N343 | N343-T345 PolarHBondContact O-N 3.38Š|
| 346 | E | 41.5 | Very low | 46.5 | Very low | 149 Ų | 149 | 135.8 Ų | 135.8 | 70% | 0.696 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.7 | 3.7 | -179.2 | -72.2 | 178.3 | 153.3 | 0 | 0 | 114.4 | K342 R344 | K342-E346 IonicContact NZ-OE2 2.8Å; K342-E346 PolarHBondContact NZ-OE2 3.42Å; R344-E346 PolarHBondContact O-N 3.43Å |
| 347 | Q | 38.7 | Very low | 45.1 | Very low | 165 Ų | 165 | 139.9 Ų | 139.9 | 77% | 0.771 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -101.1 | -6.4 | 179.9 | -105.2 | 172.5 | -20.4 | 0 | 0 | 114.9 | ||
| 348 | S | 35.5 | Very low | 43.3 | Very low | 98 Ų | 98 | 140.8 Ų | 140.8 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -85.9 | -20.3 | 177.3 | -157.4 | 0 | 0 | 0 | 0 | 113.9 | ||
| 349 | S | 39.1 | Very low | 41.9 | Very low | 93 Ų | 93 | 143 Ų | 143 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | 6.2 | -174 | 31.3 | 0 | 0 | 0 | 0 | 114.9 | ||
| 350 | R | 40.4 | Very low | 41 | Very low | 235 Ų | 235 | 143.7 Ų | 143.7 | 89% | 0.887 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.4 | 1.5 | 173.8 | -101.1 | -178.3 | -177 | 179.9 | 0.9 | 114.4 | ||
| 351 | G | 38.4 | Very low | 40.2 | Very low | 53 Ų | 53 | 150.2 Ų | 150.2 | 55% | 0.546 | 79% | 0.79 | S | S | . | * | S | Bend | trans | -95.6 | -8.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 352 | E | 40.4 | Very low | 39.8 | Very low | 165 Ų | 165 | 151.2 Ų | 151.2 | 77% | 0.771 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -112.2 | 0.9 | -172.2 | -75.2 | 179.5 | 159.7 | 0 | 0 | 114.7 | ||
| 353 | L | 39.5 | Very low | 39.4 | Very low | 168 Ų | 168 | 150.1 Ų | 150.1 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -106.3 | 13.5 | -178.5 | -118.2 | 93.8 | 0 | 0 | 0 | 115.2 | ||
| 354 | S | 41.3 | Very low | 39.4 | Very low | 99 Ų | 99 | 150.8 Ų | 150.8 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -117.8 | 17.7 | -176.1 | 52.1 | 0 | 0 | 0 | 0 | 115 | ||
| 355 | T | 39.1 | Very low | 39.5 | Very low | 115 Ų | 115 | 146.2 Ų | 146.2 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -136.5 | 58.4 | -175.5 | -31.2 | 0 | 0 | 0 | 0 | 111.8 | ||
| 356 | T | 40.1 | Very low | 39.5 | Very low | 136 Ų | 136 | 148.2 Ų | 148.2 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | -161.7 | 73 | 168.2 | -8.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 357 | C | 39.3 | Very low | 39.4 | Very low | 135 Ų | 135 | 148.1 Ų | 148.1 | 91% | 0.912 | 80% | 0.803 | S | S | * | * | trans | -159.1 | 65 | 160.4 | -94.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 358 | Q | 37.4 | Very low | 39.4 | Very low | 186 Ų | 186 | 146.9 Ų | 146.9 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | trans | -137.5 | 142.1 | 154 | -76.8 | -159.6 | -44.5 | 0 | 0 | 106.4 | ||||
| 359 | V | 40.6 | Very low | 39.7 | Very low | 119 Ų | 119 | 150.7 Ų | 150.7 | 72% | 0.721 | 82% | 0.815 | S | S | * | * | trans | 111.4 | 124.1 | 165.4 | -174.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 360 | E | 38 | Very low | 39.8 | Very low | 182 Ų | 182 | 155.5 Ų | 155.5 | 85% | 0.85 | 83% | 0.829 | S | S | * | * | trans | 75.5 | 118.3 | 164.3 | -70.7 | 152.5 | -156.8 | 0 | 0 | 116.6 | ||||
| 361 | E | 42.7 | Very low | 39.7 | Very low | 273 Ų | 273 | 148.3 Ų | 148.3 | 100% | 1.276 | 82% | 0.823 | S | S | * | * | cis | -134.4 | 0 | 22.9 | -83.6 | 174.7 | 146.9 | 0 | 0 | 113 |
Retrieved 361 of 361 residues in 215.9 ms
(Link to these results)