| 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 | 45.2 | Very low | 62.1 | Low | 214 Ų | 214 | 92.1 Ų | 92.1 | 100% | 1.054 | 46% | 0.455 | S | S | * | . | 0 | 119.3 | 0 | -158.4 | 154.4 | 76.8 | 0 | 0 | 107.1 | L3 | M1-L3 PolarHBondContact O-N 3.47Š| |||
| 2 | N | 53.6 | Low | 63.6 | Low | 129 Ų | 129 | 85.8 Ų | 85.8 | 69% | 0.69 | 43% | 0.426 | S | S | * | . | trans | -80.7 | 86.7 | -169.9 | -160.5 | -9.9 | 0 | 0 | 0 | 110.1 | R4 G5 L6 | N2-R4 PolarHBondContact O-N 3.43Å; N2-R4 VanDerWaalsContact O-N 3.13Å; N2-G5 PolarHBondContact O-N 3.12Å; N2-L6 PolarHBondContact O-N 2.99Å | ||
| 3 | L | 56.5 | Low | 64.9 | Low | 113 Ų | 113 | 80.2 Ų | 80.2 | 59% | 0.592 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -53.1 | -34 | -177.7 | -70 | 169.8 | 0 | 0 | 0 | 112.1 | M1 G5 L6 F7 | M1-L3 PolarHBondContact O-N 3.47Å; L3-G5 VanDerWaalsContact C-N 3.34Å; L3-G5 PolarHBondContact O-N 3.08Å; L3-L6 PolarHBondContact O-N 3.27Å; L3-F7 VanDerWaalsContact O-CD2 3.25Å; L3-F7 WeakPolarHBondContact O-CD2 3.34Å; L3-F7 PolarHBondContact O-N 3.27Å; L3-F7 VanDerWaalsContact O-N 3.13Å |
| 4 | R | 56.8 | Low | 66.4 | Low | 155 Ų | 155 | 77.1 Ų | 77.1 | 59% | 0.585 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -60.6 | -40.1 | 177.2 | -167.4 | 173.7 | -179 | -178.8 | 0.9 | 112.8 | N2 Q8 | N2-R4 PolarHBondContact O-N 3.43Å; N2-R4 VanDerWaalsContact O-N 3.13Å; R4-Q8 VanDerWaalsContact O-CB 3.28Å; R4-Q8 WeakPolarHBondContact O-CB 3.07Å; R4-Q8 PolarHBondContact O-N 2.73Å |
| 5 | G | 58.7 | Low | 67.9 | Low | 30 Ų | 30 | 76.1 Ų | 76.1 | 31% | 0.309 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -69.1 | -35.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | N2 L3 Q8 | N2-G5 PolarHBondContact O-N 3.12Å; L3-G5 VanDerWaalsContact C-N 3.34Å; L3-G5 PolarHBondContact O-N 3.08Å; G5-Q8 PolarHBondContact O-N 2.93Å |
| 6 | L | 60.3 | Low | 69.2 | Low | 77 Ų | 77 | 73.9 Ų | 73.9 | 40% | 0.403 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -70.2 | -35.1 | 179.9 | -167.2 | 136.3 | 0 | 0 | 0 | 112.7 | N2 L3 F262 | N2-L6 PolarHBondContact O-N 2.99Å; L3-L6 PolarHBondContact O-N 3.27Å; L6-F262 HydrophobicContact CD2-CB 4.37Å; L6-F262 HydrophobicContact CD2-CD1 3.93Å; L6-F262 HydrophobicContact CD2-CG 4.44Å; L6-F262 HydrophobicContact CG-CB 4.47Å |
| 7 | F | 63.7 | Low | 70.4 | Confident | 107 Ų | 107 | 72 Ų | 72 | 47% | 0.469 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -82.1 | -24.3 | 174.2 | -75.1 | -72 | 0 | 0 | 0 | 113.4 | L3 D9 F10 C279 | L3-F7 VanDerWaalsContact O-CD2 3.25Å; L3-F7 WeakPolarHBondContact O-CD2 3.34Å; L3-F7 PolarHBondContact O-N 3.27Å; L3-F7 VanDerWaalsContact O-N 3.13Å; F7-D9 VanDerWaalsContact C-N 3.32Å; F7-D9 PolarHBondContact O-N 3.16Å; F7-F10 PolarHBondContact O-N 3.44Å; F7-C279 WeakPolarHBondContact O-CB 3.48Å; F7-C279 PolarHBondContact O-SG 3.11Å |
| 8 | Q | 62.3 | Low | 71.6 | Confident | 96 Ų | 96 | 69.9 Ų | 69.9 | 45% | 0.449 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.2 | -34.2 | 179.9 | -169.7 | 168.2 | 0.5 | 0 | 0 | 112.3 | R4 G5 | R4-Q8 VanDerWaalsContact O-CB 3.28Å; R4-Q8 WeakPolarHBondContact O-CB 3.07Å; R4-Q8 PolarHBondContact O-N 2.73Å; G5-Q8 PolarHBondContact O-N 2.93Å |
| 9 | D | 68.7 | Low | 72.8 | Confident | 50 Ų | 50 | 68 Ų | 68 | 27% | 0.267 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 27 | -179.8 | -64.8 | -32.9 | 0 | 0 | 0 | 112.7 | F7 G263 Q264 K265 | F7-D9 VanDerWaalsContact C-N 3.32Å; F7-D9 PolarHBondContact O-N 3.16Å; D9-G263 CarbonylContact O-C 3.55Å; D9-G263 PolarHBondContact O-N 3.21Å; D9-Q264 CarbonylContact O-C 3.56Å; D9-Q264 PolarHBondContact O-N 3.2Å; D9-Q264 VanDerWaalsContact O-N 3.08Å; D9-K265 HydrophobicContact CB-CG 4.48Å; D9-K265 VanDerWaalsContact OD1-CE 3.3Å; D9-K265 WeakPolarHBondContact OD1-CE 3.27Å; D9-K265 VanDerWaalsContact OD1-CG 3.25Å; D9-K265 WeakPolarHBondContact OD1-CG 3.47Å |
| 10 | F | 76.9 | Confident | 73.8 | Confident | 39 Ų | 39 | 65.2 Ų | 65.2 | 17% | 0.171 | 33% | 0.326 | C | S | . | . | B | Isolated β-bridge | trans | -83.1 | 126.5 | 178.5 | 176.2 | -117.1 | 0 | 0 | 0 | 111.8 | F7 P12 F15 F262 | F7-F10 PolarHBondContact O-N 3.44Å; F10-P12 HydrophobicContact CD1-CB 4.28Å; F10-P12 HydrophobicContact CE1-CB 3.78Å; F10-P12 HydrophobicContact CZ-CB 4.49Å; F10-P12 WeakPolarHBondContact O-CD 3.34Å; F10-F15 HydrophobicContact CE2-CB 3.69Å; F10-F15 HydrophobicContact CE2-CD1 4.48Å; F10-F15 AromaticContact CE2-CD2 3.91Å; F10-F15 HydrophobicContact CE2-CD2 3.91Å; F10-F15 AromaticContact CE2-CG 3.77Å; F10-F15 HydrophobicContact CE2-CG 3.77Å; F10-F15 HydrophobicContact CZ-CB 3.62Å; F10-F15 AromaticContact CZ-CD1 3.97Å; F10-F15 HydrophobicContact CZ-CD1 3.97Å; F10-F15 HydrophobicContact CZ-CD2 4.23Å; F10-F15 AromaticContact CZ-CG 3.67Å; F10-F15 HydrophobicContact CZ-CG 3.67Å; F10-F262 AromaticContact CD2-CD1 3.5Å; F10-F262 HydrophobicContact CD2-CD1 3.5Å; F10-F262 AromaticContact CD2-CE1 3.49Å; F10-F262 HydrophobicContact CD2-CE1 3.49Å; F10-F262 VanDerWaalsContact CD2-CE1 3.49Å; F10-F262 HydrophobicContact CD2-CG 4.19Å; F10-F262 HydrophobicContact CD2-CZ 4.16Å; F10-F262 AromaticContact CE2-CD1 4Å; F10-F262 HydrophobicContact CE2-CD1 4Å; F10-F262 AromaticContact CE2-CE1 3.53Å; F10-F262 HydrophobicContact CE2-CE1 3.53Å; F10-F262 HydrophobicContact CE2-CE2 4.42Å; F10-F262 AromaticContact CE2-CZ 3.77Å; F10-F262 HydrophobicContact CE2-CZ 3.77Å; F10-F262 HydrophobicContact CG-CD1 4.38Å; F10-F262 HydrophobicContact CG-CE1 4.41Å; F10-F262 HydrophobicContact CZ-CE1 4.47Å |
| 11 | N | 80.5 | Confident | 74.8 | Confident | 3 Ų | 3 | 64.8 Ų | 64.8 | 2% | 0.016 | 32% | 0.324 | C | S | . | . | trans | -97.5 | 95.2 | 174.4 | -166.8 | -32.1 | 0 | 0 | 0 | 111.6 | S13 K14 F15 T261 G266 | N11-S13 VanDerWaalsContact C-N 3.29Å; N11-S13 PolarHBondContact O-N 3.3Å; N11-S13 PolarHBondContact OD1-N 2.86Å; N11-S13 PolarHBondContact OD1-OG 3.05Å; N11-K14 HydrophobicContact CB-CB 4.39Å; N11-K14 PolarHBondContact OD1-N 2.75Å; N11-F15 WeakPolarHBondContact O-CB 3.21Å; N11-F15 PolarHBondContact O-N 2.83Å; N11-F15 VanDerWaalsContact O-N 3.1Å; N11-T261 PolarHBondContact N-O 2.96Å; N11-G266 PolarHBondContact ND2-O 3.26Å | ||
| 12 | P | 79.6 | Confident | 77.3 | Confident | 16 Ų | 16 | 56 Ų | 56 | 10% | 0.104 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66 | -32.4 | -175.2 | 31 | -41.1 | 0 | 0 | 0 | 112.9 | F10 F15 L16 F278 | F10-P12 HydrophobicContact CD1-CB 4.28Å; F10-P12 HydrophobicContact CE1-CB 3.78Å; F10-P12 HydrophobicContact CZ-CB 4.49Å; F10-P12 WeakPolarHBondContact O-CD 3.34Å; P12-F15 PolarHBondContact O-N 3.26Å; P12-L16 WeakPolarHBondContact O-CB 3.3Å; P12-L16 PolarHBondContact O-N 3.47Å; P12-F278 HydrophobicContact CB-CD1 3.43Å; P12-F278 VanDerWaalsContact CB-CD1 3.43Å; P12-F278 HydrophobicContact CB-CE1 3.57Å; P12-F278 HydrophobicContact CB-CG 3.99Å; P12-F278 HydrophobicContact CB-CZ 4.28Å; P12-F278 HydrophobicContact CG-CB 3.62Å; P12-F278 HydrophobicContact CG-CD1 3.48Å; P12-F278 VanDerWaalsContact CG-CD1 3.48Å; P12-F278 HydrophobicContact CG-CD2 4.23Å; P12-F278 HydrophobicContact CG-CE1 4.1Å; P12-F278 HydrophobicContact CG-CG 3.54Å |
| 13 | S | 81.3 | Confident | 79.3 | Confident | 14 Ų | 14 | 54.3 Ų | 54.3 | 10% | 0.098 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.2 | -49.3 | -176.3 | 68.8 | 0 | 0 | 0 | 0 | 110.5 | N11 L16 I17 | N11-S13 VanDerWaalsContact C-N 3.29Å; N11-S13 PolarHBondContact O-N 3.3Å; N11-S13 PolarHBondContact OD1-N 2.86Å; N11-S13 PolarHBondContact OD1-OG 3.05Å; S13-L16 PolarHBondContact O-N 3.43Å; S13-I17 WeakPolarHBondContact O-CG1 3.37Å; S13-I17 PolarHBondContact O-N 3.02Å |
| 14 | K | 85 | Confident | 81.3 | Confident | 37 Ų | 37 | 50.6 Ų | 50.6 | 16% | 0.161 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 175.5 | -71.8 | -172.7 | 172.5 | -175.4 | 0 | 112 | N11 L16 I17 Y18 E141 T261 | N11-K14 HydrophobicContact CB-CB 4.39Å; N11-K14 PolarHBondContact OD1-N 2.75Å; K14-L16 VanDerWaalsContact C-N 3.3Å; K14-L16 PolarHBondContact O-N 3.33Å; K14-I17 WeakPolarHBondContact O-CB 3.34Å; K14-I17 PolarHBondContact O-N 2.99Å; K14-Y18 HydrophobicContact CB-CD2 4.43Å; K14-Y18 HydrophobicContact CB-CE2 3.88Å; K14-Y18 WeakPolarHBondContact O-CD2 3.43Å; K14-Y18 VanDerWaalsContact O-CG 3.31Å; K14-Y18 PolarHBondContact O-N 3.33Å; K14-E141 WeakPolarHBondContact CE-OE1 3.38Å; K14-E141 VanDerWaalsContact CE-OE2 3.28Å; K14-E141 WeakPolarHBondContact CE-OE2 3.37Å; K14-E141 IonicContact NZ-OE1 2.76Å; K14-E141 PolarHBondContact NZ-OE1 3.25Å; K14-E141 IonicContact NZ-OE2 2.72Å; K14-E141 PolarHBondContact NZ-OE2 2.96Å; K14-T261 HydrophobicContact CB-CG2 3.81Å |
| 15 | F | 89 | Confident | 83.2 | Confident | 62 Ų | 62 | 43.5 Ų | 43.5 | 27% | 0.272 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.5 | -44 | 177.4 | -177.6 | -93.4 | 0 | 0 | 0 | 111.6 | F10 N11 P12 Y18 S19 M258 T261 F262 | F10-F15 HydrophobicContact CE2-CB 3.69Å; F10-F15 HydrophobicContact CE2-CD1 4.48Å; F10-F15 AromaticContact CE2-CD2 3.91Å; F10-F15 HydrophobicContact CE2-CD2 3.91Å; F10-F15 AromaticContact CE2-CG 3.77Å; F10-F15 HydrophobicContact CE2-CG 3.77Å; F10-F15 HydrophobicContact CZ-CB 3.62Å; F10-F15 AromaticContact CZ-CD1 3.97Å; F10-F15 HydrophobicContact CZ-CD1 3.97Å; F10-F15 HydrophobicContact CZ-CD2 4.23Å; F10-F15 AromaticContact CZ-CG 3.67Å; F10-F15 HydrophobicContact CZ-CG 3.67Å; N11-F15 WeakPolarHBondContact O-CB 3.21Å; N11-F15 PolarHBondContact O-N 2.83Å; N11-F15 VanDerWaalsContact O-N 3.1Å; P12-F15 PolarHBondContact O-N 3.26Å; F15-Y18 PolarHBondContact O-N 2.66Å; F15-S19 WeakPolarHBondContact CE1-OG 3.26Å; F15-S19 VanDerWaalsContact O-CB 3.28Å; F15-S19 WeakPolarHBondContact O-CB 3.22Å; F15-S19 PolarHBondContact O-N 2.73Å; F15-S19 PolarHBondContact O-OG 3.28Å; F15-M258 HydrophobicContact CD2-CB 4.36Å; F15-M258 HydrophobicContact CD2-CE 4.27Å; F15-M258 HydrophobicContact CE1-CE 4.43Å; F15-M258 HydrophobicContact CE2-CB 4.29Å; F15-M258 HydrophobicContact CE2-CE 3.51Å; F15-M258 HydrophobicContact CZ-CE 3.61Å; F15-T261 HydrophobicContact CB-CG2 4.31Å; F15-T261 WeakPolarHBondContact CD2-OG1 3.4Å; F15-F262 HydrophobicContact CD2-CE2 4.11Å; F15-F262 HydrophobicContact CD2-CZ 4.17Å; F15-F262 AromaticContact CE2-CE2 3.94Å; F15-F262 HydrophobicContact CE2-CE2 3.94Å; F15-F262 AromaticContact CE2-CZ 3.91Å; F15-F262 HydrophobicContact CE2-CZ 3.91Å |
| 16 | L | 88.8 | Confident | 85 | Confident | 41 Ų | 41 | 44.1 Ų | 44.1 | 22% | 0.215 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.2 | -44.9 | 176.3 | -173.5 | 139.4 | 0 | 0 | 0 | 111.7 | P12 S13 K14 S19 C20 W50 L53 | P12-L16 WeakPolarHBondContact O-CB 3.3Å; P12-L16 PolarHBondContact O-N 3.47Å; S13-L16 PolarHBondContact O-N 3.43Å; K14-L16 VanDerWaalsContact C-N 3.3Å; K14-L16 PolarHBondContact O-N 3.33Å; L16-S19 PolarHBondContact O-N 3.29Å; L16-C20 WeakPolarHBondContact O-CB 2.9Å; L16-C20 PolarHBondContact O-N 3.34Å; L16-C20 PolarHBondContact O-SG 3.47Å; L16-C20 VanDerWaalsContact O-SG 3.36Å; L16-W50 HydrophobicContact CD2-CB 3.86Å; L16-W50 HydrophobicContact CD2-CG 3.94Å; L16-L53 HydrophobicContact CD1-CD1 3.43Å; L16-L53 VanDerWaalsContact CD1-CD1 3.43Å; L16-L53 HydrophobicContact CD2-CD1 4.11Å; L16-L53 HydrophobicContact CG-CD1 4.37Å |
| 17 | I | 89.4 | Confident | 86.8 | Confident | 41 Ų | 41 | 41.6 Ų | 41.6 | 21% | 0.21 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.2 | -54.4 | 177 | -66.5 | 167 | 0 | 0 | 0 | 110.4 | S13 K14 S19 C20 L21 W50 | S13-I17 WeakPolarHBondContact O-CG1 3.37Å; S13-I17 PolarHBondContact O-N 3.02Å; K14-I17 WeakPolarHBondContact O-CB 3.34Å; K14-I17 PolarHBondContact O-N 2.99Å; I17-S19 VanDerWaalsContact C-N 3.33Å; I17-S19 PolarHBondContact O-N 3Å; I17-C20 PolarHBondContact O-N 2.95Å; I17-L21 HydrophobicContact CG2-CD1 3.81Å; I17-L21 HydrophobicContact CG2-CG 4.38Å; I17-L21 WeakPolarHBondContact O-CB 3.36Å; I17-L21 VanDerWaalsContact O-CG 3.3Å; I17-L21 WeakPolarHBondContact O-CG 3.35Å; I17-L21 PolarHBondContact O-N 3.24Å; I17-W50 HydrophobicContact CB-CZ2 4.34Å; I17-W50 HydrophobicContact CD1-CZ2 3.9Å; I17-W50 HydrophobicContact CG1-CD2 4.3Å; I17-W50 VanDerWaalsContact CG1-CE2 3.5Å; I17-W50 HydrophobicContact CG1-CH2 4.5Å; I17-W50 HydrophobicContact CG1-CZ2 3.59Å; I17-W50 HydrophobicContact CG2-CH2 3.99Å; I17-W50 HydrophobicContact CG2-CZ2 3.9Å; I17-W50 HydrophobicContact CG2-CZ3 4.49Å |
| 18 | Y | 92.9 | Very high | 88.4 | Confident | 34 Ų | 34 | 38 Ų | 38 | 13% | 0.133 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.6 | -35.8 | -177.1 | -56.5 | -39.4 | 0 | 0 | 0 | 112.2 | K14 F15 L21 L22 L257 M258 T261 | K14-Y18 HydrophobicContact CB-CD2 4.43Å; K14-Y18 HydrophobicContact CB-CE2 3.88Å; K14-Y18 WeakPolarHBondContact O-CD2 3.43Å; K14-Y18 VanDerWaalsContact O-CG 3.31Å; K14-Y18 PolarHBondContact O-N 3.33Å; F15-Y18 PolarHBondContact O-N 2.66Å; Y18-L21 PolarHBondContact O-N 2.9Å; Y18-L22 VanDerWaalsContact O-CB 3.24Å; Y18-L22 WeakPolarHBondContact O-CB 3.45Å; Y18-L22 PolarHBondContact O-N 3.49Å; Y18-L257 HydrophobicContact CD1-CB 4.27Å; Y18-L257 HydrophobicContact CD1-CD1 4.38Å; Y18-L257 HydrophobicContact CD2-CB 3.82Å; Y18-L257 HydrophobicContact CE1-CB 4.32Å; Y18-L257 HydrophobicContact CE1-CD1 4.15Å; Y18-L257 HydrophobicContact CE2-CB 3.85Å; Y18-L257 HydrophobicContact CE2-CD2 4.48Å; Y18-L257 HydrophobicContact CG-CB 4.04Å; Y18-M258 VanDerWaalsContact CB-CG 3.45Å; Y18-M258 HydrophobicContact CG-CG 4.47Å; Y18-T261 HydrophobicContact CD2-CG2 3.67Å; Y18-T261 HydrophobicContact CE2-CG2 3.65Å |
| 19 | S | 93.1 | Very high | 90 | Very high | 34 Ų | 34 | 33.4 Ų | 33.4 | 24% | 0.238 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.1 | -45.5 | 174.5 | -59.7 | 0 | 0 | 0 | 0 | 111.8 | F15 L16 I17 L22 L23 M258 | F15-S19 WeakPolarHBondContact CE1-OG 3.26Å; F15-S19 VanDerWaalsContact O-CB 3.28Å; F15-S19 WeakPolarHBondContact O-CB 3.22Å; F15-S19 PolarHBondContact O-N 2.73Å; F15-S19 PolarHBondContact O-OG 3.28Å; L16-S19 PolarHBondContact O-N 3.29Å; I17-S19 VanDerWaalsContact C-N 3.33Å; I17-S19 PolarHBondContact O-N 3Å; S19-L22 PolarHBondContact O-N 3.26Å; S19-L23 WeakPolarHBondContact O-CB 3.3Å; S19-L23 PolarHBondContact O-N 3.4Å; S19-M258 VanDerWaalsContact OG-CE 3.22Å; S19-M258 WeakPolarHBondContact OG-CE 3.45Å |
| 20 | C | 94.3 | Very high | 91.3 | Very high | 11 Ų | 11 | 33.3 Ų | 33.3 | 7% | 0.074 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65 | -42.8 | 176.9 | -75 | 0 | 0 | 0 | 0 | 111.8 | L16 I17 F24 P46 W50 | L16-C20 WeakPolarHBondContact O-CB 2.9Å; L16-C20 PolarHBondContact O-N 3.34Å; L16-C20 PolarHBondContact O-SG 3.47Å; L16-C20 VanDerWaalsContact O-SG 3.36Å; I17-C20 PolarHBondContact O-N 2.95Å; C20-F24 VanDerWaalsContact O-CB 3.23Å; C20-F24 WeakPolarHBondContact O-CB 3.31Å; C20-F24 PolarHBondContact O-N 3.34Å; C20-P46 HydrophobicContact CB-CB 4.46Å; C20-P46 WeakPolarHBondContact CB-O 3.33Å; C20-P46 WeakPolarHBondContact O-CB 3.26Å; C20-P46 PolarHBondContact SG-O 3.24Å; C20-W50 HydrophobicContact CB-CB 4.05Å |
| 21 | L | 94.8 | Very high | 92.2 | Very high | 57 Ų | 57 | 33 Ų | 33 | 30% | 0.298 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -63.6 | -41.9 | 175.7 | -72.2 | 173.3 | 0 | 0 | 0 | 111.9 | I17 Y18 S25 I47 L254 | I17-L21 HydrophobicContact CG2-CD1 3.81Å; I17-L21 HydrophobicContact CG2-CG 4.38Å; I17-L21 WeakPolarHBondContact O-CB 3.36Å; I17-L21 VanDerWaalsContact O-CG 3.3Å; I17-L21 WeakPolarHBondContact O-CG 3.35Å; I17-L21 PolarHBondContact O-N 3.24Å; Y18-L21 PolarHBondContact O-N 2.9Å; L21-S25 VanDerWaalsContact O-CB 3.27Å; L21-S25 WeakPolarHBondContact O-CB 3.28Å; L21-S25 PolarHBondContact O-N 3.46Å; L21-S25 PolarHBondContact O-OG 3.4Å; L21-I47 HydrophobicContact CD2-CD1 3.89Å; L21-L254 HydrophobicContact CB-CD1 4.4Å; L21-L254 HydrophobicContact CB-CD2 4.2Å |
| 22 | L | 96.9 | Very high | 92.9 | Very high | 29 Ų | 29 | 36 Ų | 36 | 15% | 0.152 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.6 | -53.5 | 176.5 | 179.5 | 64.2 | 0 | 0 | 0 | 110.3 | Y18 S19 F24 S25 V26 W251 L254 L255 M258 | Y18-L22 VanDerWaalsContact O-CB 3.24Å; Y18-L22 WeakPolarHBondContact O-CB 3.45Å; Y18-L22 PolarHBondContact O-N 3.49Å; S19-L22 PolarHBondContact O-N 3.26Å; L22-F24 VanDerWaalsContact C-N 3.33Å; L22-F24 PolarHBondContact O-N 3.02Å; L22-S25 PolarHBondContact O-N 3.46Å; L22-S25 VanDerWaalsContact O-N 3.14Å; L22-S25 PolarHBondContact O-OG 3.13Å; L22-V26 HydrophobicContact CD1-CG2 4.48Å; L22-V26 WeakPolarHBondContact O-CG2 3.41Å; L22-V26 PolarHBondContact O-N 3.4Å; L22-W251 HydrophobicContact CD1-CB 3.81Å; L22-W251 HydrophobicContact CD1-CG 3.89Å; L22-L254 HydrophobicContact CB-CB 4.37Å; L22-L254 HydrophobicContact CB-CD1 4.2Å; L22-L254 HydrophobicContact CD1-CB 4.16Å; L22-L254 HydrophobicContact CD1-CD1 4.24Å; L22-L255 HydrophobicContact CD2-CD2 3.68Å; L22-L255 HydrophobicContact CD2-CG 4.14Å; L22-M258 HydrophobicContact CD2-SD 3.84Å |
| 23 | L | 96.8 | Very high | 93.6 | Very high | 94 Ų | 94 | 37.7 Ų | 37.7 | 49% | 0.492 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.3 | -43.4 | -179.6 | -175.7 | 61 | 0 | 0 | 0 | 111.9 | S19 V26 L27 P46 | S19-L23 WeakPolarHBondContact O-CB 3.3Å; S19-L23 PolarHBondContact O-N 3.4Å; L23-V26 PolarHBondContact O-N 3.48Å; L23-L27 HydrophobicContact CD1-CG 4.46Å; L23-L27 HydrophobicContact CG-CD1 4.27Å; L23-L27 WeakPolarHBondContact O-CG 3.46Å; L23-L27 PolarHBondContact O-N 3.41Å; L23-P46 HydrophobicContact CB-CB 4.11Å; L23-P46 HydrophobicContact CB-CG 4.07Å; L23-P46 HydrophobicContact CD2-CB 3.99Å; L23-P46 HydrophobicContact CD2-CG 3.63Å; L23-P46 HydrophobicContact CG-CB 4.14Å; L23-P46 HydrophobicContact CG-CG 3.62Å |
| 24 | F | 97.3 | Very high | 94.2 | Very high | 36 Ų | 36 | 38.8 Ų | 38.8 | 16% | 0.158 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.7 | -48.3 | 173.7 | 168.6 | -107.3 | 0 | 0 | 0 | 111.9 | C20 L22 V26 L27 L28 V43 F44 P46 I47 | C20-F24 VanDerWaalsContact O-CB 3.23Å; C20-F24 WeakPolarHBondContact O-CB 3.31Å; C20-F24 PolarHBondContact O-N 3.34Å; L22-F24 VanDerWaalsContact C-N 3.33Å; L22-F24 PolarHBondContact O-N 3.02Å; F24-V26 VanDerWaalsContact C-N 3.29Å; F24-V26 PolarHBondContact O-N 3.22Å; F24-L27 PolarHBondContact O-N 2.89Å; F24-L28 HydrophobicContact CE1-CD2 4.02Å; F24-L28 HydrophobicContact CZ-CB 4.48Å; F24-L28 HydrophobicContact CZ-CD2 3.88Å; F24-L28 VanDerWaalsContact O-CB 3.23Å; F24-L28 WeakPolarHBondContact O-CB 3.25Å; F24-L28 PolarHBondContact O-N 2.74Å; F24-V43 HydrophobicContact CD2-CG1 4.46Å; F24-V43 HydrophobicContact CE2-CG1 4.33Å; F24-F44 HydrophobicContact CE2-CD1 4.01Å; F24-F44 AromaticContact CE2-CD2 3.78Å; F24-F44 HydrophobicContact CE2-CD2 3.78Å; F24-F44 HydrophobicContact CE2-CE1 4.03Å; F24-F44 AromaticContact CE2-CE2 3.8Å; F24-F44 HydrophobicContact CE2-CE2 3.8Å; F24-F44 AromaticContact CE2-CG 3.9Å; F24-F44 HydrophobicContact CE2-CG 3.9Å; F24-F44 AromaticContact CE2-CZ 3.93Å; F24-F44 HydrophobicContact CE2-CZ 3.93Å; F24-F44 HydrophobicContact CZ-CE1 4.14Å; F24-F44 HydrophobicContact CZ-CE2 4.19Å; F24-F44 AromaticContact CZ-CZ 3.95Å; F24-F44 HydrophobicContact CZ-CZ 3.95Å; F24-P46 HydrophobicContact CB-CB 4.35Å; F24-I47 HydrophobicContact CB-CD1 3.58Å; F24-I47 HydrophobicContact CB-CG1 3.71Å; F24-I47 HydrophobicContact CD1-CD1 4.07Å; F24-I47 HydrophobicContact CD1-CG1 4.09Å; F24-I47 HydrophobicContact CD2-CD1 4.47Å; F24-I47 HydrophobicContact CD2-CG1 3.74Å; F24-I47 HydrophobicContact CE2-CG1 4.39Å; F24-I47 HydrophobicContact CG-CD1 3.79Å; F24-I47 HydrophobicContact CG-CG1 3.56Å |
| 25 | S | 97.1 | Very high | 94.7 | Very high | 5 Ų | 5 | 41.8 Ų | 41.8 | 4% | 0.035 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.6 | -35.6 | -178.4 | 74.4 | 0 | 0 | 0 | 0 | 112.4 | L21 L22 S29 W251 | L21-S25 VanDerWaalsContact O-CB 3.27Å; L21-S25 WeakPolarHBondContact O-CB 3.28Å; L21-S25 PolarHBondContact O-N 3.46Å; L21-S25 PolarHBondContact O-OG 3.4Å; L22-S25 PolarHBondContact O-N 3.46Å; L22-S25 VanDerWaalsContact O-N 3.14Å; L22-S25 PolarHBondContact O-OG 3.13Å; S25-S29 WeakPolarHBondContact O-CB 3.39Å; S25-S29 PolarHBondContact O-N 3.3Å; S25-S29 PolarHBondContact O-OG 3.42Å; S25-W251 PolarHBondContact OG-NE1 3.04Å |
| 26 | V | 97.4 | Very high | 95 | Very high | 44 Ų | 44 | 40.2 Ų | 40.2 | 27% | 0.267 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65 | -54.9 | 173.3 | 171.8 | 0 | 0 | 0 | 0 | 110.2 | L22 L23 F24 L28 S29 L30 W251 | L22-V26 HydrophobicContact CD1-CG2 4.48Å; L22-V26 WeakPolarHBondContact O-CG2 3.41Å; L22-V26 PolarHBondContact O-N 3.4Å; L23-V26 PolarHBondContact O-N 3.48Å; F24-V26 VanDerWaalsContact C-N 3.29Å; F24-V26 PolarHBondContact O-N 3.22Å; V26-L28 VanDerWaalsContact C-N 3.29Å; V26-L28 PolarHBondContact O-N 3.4Å; V26-S29 PolarHBondContact O-N 3.39Å; V26-S29 PolarHBondContact O-OG 2.8Å; V26-L30 HydrophobicContact CG1-CD1 3.98Å; V26-L30 WeakPolarHBondContact O-CG 3.42Å; V26-L30 PolarHBondContact O-N 3.33Å; V26-W251 HydrophobicContact CB-CZ2 4.33Å; V26-W251 HydrophobicContact CG2-CD2 4.16Å; V26-W251 HydrophobicContact CG2-CH2 4.49Å; V26-W251 HydrophobicContact CG2-CZ2 3.85Å |
| 27 | L | 97.1 | Very high | 95.3 | Very high | 23 Ų | 23 | 45.6 Ų | 45.6 | 12% | 0.12 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.9 | -40.9 | 179.5 | -68.3 | 175.9 | 0 | 0 | 0 | 112 | L23 F24 L30 K31 I36 W38 V43 P46 | L23-L27 HydrophobicContact CD1-CG 4.46Å; L23-L27 HydrophobicContact CG-CD1 4.27Å; L23-L27 WeakPolarHBondContact O-CG 3.46Å; L23-L27 PolarHBondContact O-N 3.41Å; F24-L27 PolarHBondContact O-N 2.89Å; L27-L30 PolarHBondContact O-N 2.84Å; L27-K31 WeakPolarHBondContact O-CB 3.33Å; L27-K31 PolarHBondContact O-N 2.96Å; L27-I36 HydrophobicContact CD2-CD1 4.27Å; L27-W38 HydrophobicContact CD1-CZ3 4.49Å; L27-W38 HydrophobicContact CD2-CE3 4.38Å; L27-W38 HydrophobicContact CD2-CZ3 3.89Å; L27-V43 HydrophobicContact CB-CG1 4.03Å; L27-P46 HydrophobicContact CD1-CG 3.85Å |
| 28 | L | 96.8 | Very high | 95.5 | Very high | 32 Ų | 32 | 50.4 Ų | 50.4 | 17% | 0.168 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.7 | -48.8 | 177.7 | -179.1 | 64.6 | 0 | 0 | 0 | 111.1 | F24 V26 L30 K31 L32 V43 F247 | F24-L28 HydrophobicContact CE1-CD2 4.02Å; F24-L28 HydrophobicContact CZ-CB 4.48Å; F24-L28 HydrophobicContact CZ-CD2 3.88Å; F24-L28 VanDerWaalsContact O-CB 3.23Å; F24-L28 WeakPolarHBondContact O-CB 3.25Å; F24-L28 PolarHBondContact O-N 2.74Å; V26-L28 VanDerWaalsContact C-N 3.29Å; V26-L28 PolarHBondContact O-N 3.4Å; L28-L30 VanDerWaalsContact C-N 3.34Å; L28-L30 PolarHBondContact O-N 2.98Å; L28-K31 PolarHBondContact O-N 2.77Å; L28-L32 HydrophobicContact CD1-CD1 4.18Å; L28-L32 HydrophobicContact CD1-CG 4.16Å; L28-L32 HydrophobicContact CG-CD1 3.93Å; L28-L32 HydrophobicContact CG-CG 4.32Å; L28-L32 WeakPolarHBondContact O-CB 3.23Å; L28-L32 VanDerWaalsContact O-CG 3.25Å; L28-L32 WeakPolarHBondContact O-CG 3.31Å; L28-L32 PolarHBondContact O-N 3.1Å; L28-V43 HydrophobicContact CB-CG1 4.14Å; L28-V43 HydrophobicContact CD1-CG1 4.37Å; L28-F247 HydrophobicContact CD2-CE1 4.35Å; L28-F247 HydrophobicContact CD2-CZ 4.26Å |
| 29 | S | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 179.2 | 72.6 | 0 | 0 | 0 | 0 | 112.3 | S25 V26 K31 L32 D33 W251 | S25-S29 WeakPolarHBondContact O-CB 3.39Å; S25-S29 PolarHBondContact O-N 3.3Å; S25-S29 PolarHBondContact O-OG 3.42Å; V26-S29 PolarHBondContact O-N 3.39Å; V26-S29 PolarHBondContact O-OG 2.8Å; S29-K31 VanDerWaalsContact C-N 3.31Å; S29-K31 PolarHBondContact O-N 3.41Å; S29-L32 PolarHBondContact O-N 3.1Å; S29-D33 PolarHBondContact O-N 2.92Å; S29-W251 VanDerWaalsContact OG-CZ2 3.31Å; S29-W251 WeakPolarHBondContact OG-CZ2 3.46Å |
| 30 | L | 96.6 | Very high | 95.6 | Very high | 47 Ų | 47 | 52.7 Ų | 52.7 | 25% | 0.246 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65 | -37.2 | 177.3 | -68.4 | 173.7 | 0 | 0 | 0 | 111.6 | V26 L27 L28 G34 V35 I36 V244 | V26-L30 HydrophobicContact CG1-CD1 3.98Å; V26-L30 WeakPolarHBondContact O-CG 3.42Å; V26-L30 PolarHBondContact O-N 3.33Å; L27-L30 PolarHBondContact O-N 2.84Å; L28-L30 VanDerWaalsContact C-N 3.34Å; L28-L30 PolarHBondContact O-N 2.98Å; L30-G34 PolarHBondContact O-N 3.37Å; L30-V35 HydrophobicContact CB-CB 4.42Å; L30-V35 HydrophobicContact CD2-CB 4.23Å; L30-V35 HydrophobicContact CD2-CG1 4.21Å; L30-V35 HydrophobicContact CD2-CG2 4.39Å; L30-V35 PolarHBondContact O-N 3.01Å; L30-I36 HydrophobicContact CB-CD1 4.14Å; L30-I36 HydrophobicContact CB-CG1 4.06Å; L30-I36 HydrophobicContact CB-CG2 4.32Å; L30-I36 PolarHBondContact O-N 3.44Å; L30-V244 HydrophobicContact CD2-CG2 3.84Å |
| 31 | K | 95.8 | Very high | 95.7 | Very high | 34 Ų | 34 | 56 Ų | 56 | 15% | 0.148 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.4 | -43.8 | 175.9 | 179.2 | 61.2 | -175.9 | 179.9 | 0 | 111.3 | L27 L28 S29 D33 G34 I36 W38 Y40 V43 | L27-K31 WeakPolarHBondContact O-CB 3.33Å; L27-K31 PolarHBondContact O-N 2.96Å; L28-K31 PolarHBondContact O-N 2.77Å; S29-K31 VanDerWaalsContact C-N 3.31Å; S29-K31 PolarHBondContact O-N 3.41Å; K31-D33 VanDerWaalsContact C-N 3.27Å; K31-D33 PolarHBondContact O-N 3.23Å; K31-G34 PolarHBondContact O-N 3.02Å; K31-I36 HydrophobicContact CB-CD1 4.14Å; K31-I36 HydrophobicContact CB-CG1 3.93Å; K31-I36 HydrophobicContact CD-CG1 4.3Å; K31-I36 VanDerWaalsContact CD-O 3.27Å; K31-I36 WeakPolarHBondContact CD-O 3.42Å; K31-W38 WeakPolarHBondContact CD-O 3.23Å; K31-W38 WeakPolarHBondContact CE-O 3.48Å; K31-W38 PolarHBondContact NZ-O 3.1Å; K31-Y40 HydrophobicContact CG-CE1 4.24Å; K31-V43 HydrophobicContact CB-CG2 3.96Å; K31-V43 HydrophobicContact CG-CG2 4.08Å |
| 32 | L | 94.1 | Very high | 95.7 | Very high | 66 Ų | 66 | 54.7 Ų | 54.7 | 35% | 0.346 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.5 | -31.1 | 179 | -69.5 | 173.8 | 0 | 0 | 0 | 112.4 | L28 S29 G34 Y243 | L28-L32 HydrophobicContact CD1-CD1 4.18Å; L28-L32 HydrophobicContact CD1-CG 4.16Å; L28-L32 HydrophobicContact CG-CD1 3.93Å; L28-L32 HydrophobicContact CG-CG 4.32Å; L28-L32 WeakPolarHBondContact O-CB 3.23Å; L28-L32 VanDerWaalsContact O-CG 3.25Å; L28-L32 WeakPolarHBondContact O-CG 3.31Å; L28-L32 PolarHBondContact O-N 3.1Å; S29-L32 PolarHBondContact O-N 3.1Å; L32-G34 VanDerWaalsContact C-N 3.28Å; L32-Y243 HydrophobicContact CB-CD1 4.31Å; L32-Y243 HydrophobicContact CB-CD2 3.44Å; L32-Y243 VanDerWaalsContact CB-CD2 3.44Å; L32-Y243 HydrophobicContact CB-CE2 3.91Å; L32-Y243 HydrophobicContact CB-CG 3.67Å; L32-Y243 HydrophobicContact CD1-CD1 3.88Å; L32-Y243 HydrophobicContact CD1-CD2 4.48Å; L32-Y243 HydrophobicContact CD1-CE1 4.13Å; L32-Y243 HydrophobicContact CD1-CG 4.06Å |
| 33 | D | 94.8 | Very high | 95.6 | Very high | 50 Ų | 50 | 53.3 Ų | 53.3 | 27% | 0.267 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -0.4 | 172.1 | -75.1 | -25.9 | 0 | 0 | 0 | 113.7 | S29 K31 V35 K234 S242 Y243 V244 | S29-D33 PolarHBondContact O-N 2.92Å; K31-D33 VanDerWaalsContact C-N 3.27Å; K31-D33 PolarHBondContact O-N 3.23Å; D33-V35 HydrophobicContact CB-CG2 4.1Å; D33-V35 PolarHBondContact O-N 3.36Å; D33-K234 IonicContact OD1-NZ 3.71Å; D33-S242 WeakPolarHBondContact OD2-CB 3.38Å; D33-Y243 WeakPolarHBondContact OD1-CB 3.44Å; D33-Y243 WeakPolarHBondContact OD1-CD2 3.47Å; D33-Y243 PolarHBondContact OD1-N 3.47Å; D33-Y243 PolarHBondContact OD2-N 3.46Å; D33-V244 WeakPolarHBondContact OD2-CG2 3.22Å; D33-V244 PolarHBondContact OD2-N 3.22Å |
| 34 | G | 93.4 | Very high | 95.6 | Very high | 37 Ų | 37 | 49.9 Ų | 49.9 | 38% | 0.381 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 9.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L30 K31 L32 I36 Q37 | L30-G34 PolarHBondContact O-N 3.37Å; K31-G34 PolarHBondContact O-N 3.02Å; L32-G34 VanDerWaalsContact C-N 3.28Å; G34-I36 VanDerWaalsContact C-N 3.32Å; G34-Q37 PolarHBondContact O-NE2 3.22Å; G34-Q37 VanDerWaalsContact O-NE2 3.08Å |
| 35 | V | 95.6 | Very high | 95.4 | Very high | 101 Ų | 101 | 51.5 Ų | 51.5 | 61% | 0.612 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -65.7 | -38.1 | 178 | 179.6 | 0 | 0 | 0 | 0 | 110.8 | L30 D33 | L30-V35 HydrophobicContact CB-CB 4.42Å; L30-V35 HydrophobicContact CD2-CB 4.23Å; L30-V35 HydrophobicContact CD2-CG1 4.21Å; L30-V35 HydrophobicContact CD2-CG2 4.39Å; L30-V35 PolarHBondContact O-N 3.01Å; D33-V35 HydrophobicContact CB-CG2 4.1Å; D33-V35 PolarHBondContact O-N 3.36Å |
| 36 | I | 96.3 | Very high | 95.4 | Very high | 29 Ų | 29 | 51.7 Ų | 51.7 | 15% | 0.149 | 27% | 0.272 | C | S | . | . | trans | -112.1 | 138.7 | 175.4 | 64.3 | 173.1 | 0 | 0 | 0 | 111.2 | L27 L30 K31 G34 W38 V43 | L27-I36 HydrophobicContact CD2-CD1 4.27Å; L30-I36 HydrophobicContact CB-CD1 4.14Å; L30-I36 HydrophobicContact CB-CG1 4.06Å; L30-I36 HydrophobicContact CB-CG2 4.32Å; L30-I36 PolarHBondContact O-N 3.44Å; K31-I36 HydrophobicContact CB-CD1 4.14Å; K31-I36 HydrophobicContact CB-CG1 3.93Å; K31-I36 HydrophobicContact CD-CG1 4.3Å; K31-I36 VanDerWaalsContact CD-O 3.27Å; K31-I36 WeakPolarHBondContact CD-O 3.42Å; G34-I36 VanDerWaalsContact C-N 3.32Å; I36-W38 HydrophobicContact CB-CG 4.49Å; I36-W38 HydrophobicContact CD1-CB 4.45Å; I36-W38 HydrophobicContact CD1-CD2 4.35Å; I36-W38 HydrophobicContact CD1-CE3 4.33Å; I36-W38 HydrophobicContact CD1-CG 4.42Å; I36-V43 HydrophobicContact CD1-CG2 4.34Å | ||
| 37 | Q | 93.9 | Very high | 95.2 | Very high | 153 Ų | 153 | 50 Ų | 50 | 72% | 0.715 | 26% | 0.261 | S | S | * | . | trans | -98.6 | 17.6 | 179.5 | -62.7 | -59.4 | -29.7 | 0 | 0 | 113.4 | G34 | G34-Q37 PolarHBondContact O-NE2 3.22Å; G34-Q37 VanDerWaalsContact O-NE2 3.08Å | ||
| 38 | W | 94.3 | Very high | 95 | Very high | 142 Ų | 142 | 51.9 Ų | 51.9 | 54% | 0.538 | 27% | 0.267 | S | S | . | . | trans | -64.6 | 155.2 | -179.6 | -66.8 | 5.4 | 0 | 0 | 0 | 112.5 | L27 K31 I36 A42 | L27-W38 HydrophobicContact CD1-CZ3 4.49Å; L27-W38 HydrophobicContact CD2-CE3 4.38Å; L27-W38 HydrophobicContact CD2-CZ3 3.89Å; K31-W38 WeakPolarHBondContact CD-O 3.23Å; K31-W38 WeakPolarHBondContact CE-O 3.48Å; K31-W38 PolarHBondContact NZ-O 3.1Å; I36-W38 HydrophobicContact CB-CG 4.49Å; I36-W38 HydrophobicContact CD1-CB 4.45Å; I36-W38 HydrophobicContact CD1-CD2 4.35Å; I36-W38 HydrophobicContact CD1-CE3 4.33Å; I36-W38 HydrophobicContact CD1-CG 4.42Å; W38-A42 HydrophobicContact CB-CB 4.12Å; W38-A42 HydrophobicContact CE3-CB 4.15Å | ||
| 39 | S | 94.7 | Very high | 94.8 | Very high | 57 Ų | 57 | 54.8 Ų | 54.8 | 40% | 0.399 | 28% | 0.282 | S | S | . | . | trans | -67 | 158.1 | 171.9 | 60.2 | 0 | 0 | 0 | 0 | 111 | W41 A42 V43 E106 | S39-W41 PolarHBondContact O-N 3.02Å; S39-A42 PolarHBondContact O-N 3.45Å; S39-A42 VanDerWaalsContact O-N 3.12Å; S39-A42 PolarHBondContact OG-N 3Å; S39-V43 PolarHBondContact O-N 2.67Å; S39-V43 VanDerWaalsContact O-N 3.16Å; S39-E106 WeakPolarHBondContact CB-OE1 3.22Å | ||
| 40 | Y | 93.6 | Very high | 94.5 | Very high | 59 Ų | 59 | 55.8 Ų | 55.8 | 23% | 0.231 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.6 | -29.5 | 175.7 | -77.9 | -84.8 | 0 | 0 | 0 | 110.8 | K31 A42 V43 F44 V105 E106 | K31-Y40 HydrophobicContact CG-CE1 4.24Å; Y40-A42 PolarHBondContact O-N 3.24Å; Y40-V43 PolarHBondContact O-N 3.05Å; Y40-F44 VanDerWaalsContact O-CD2 3.28Å; Y40-F44 WeakPolarHBondContact O-CD2 3.25Å; Y40-F44 PolarHBondContact O-N 3.45Å; Y40-V105 HydrophobicContact CD1-CG1 3.95Å; Y40-V105 HydrophobicContact CD2-CB 4.36Å; Y40-V105 HydrophobicContact CD2-CG1 3.43Å; Y40-V105 VanDerWaalsContact CD2-CG1 3.43Å; Y40-V105 HydrophobicContact CE1-CG1 3.8Å; Y40-V105 HydrophobicContact CE2-CG1 3.26Å; Y40-V105 HydrophobicContact CG-CB 4.44Å; Y40-V105 HydrophobicContact CG-CG1 3.77Å; Y40-V105 VanDerWaalsContact CZ-CG1 3.44Å; Y40-E106 HydrophobicContact CD2-CG 4.12Å; Y40-E106 PolarHBondContact N-OE1 3.25Å |
| 41 | W | 94.9 | Very high | 94.2 | Very high | 82 Ų | 82 | 53.8 Ų | 53.8 | 31% | 0.311 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -53.3 | -49.1 | 168.6 | -66.4 | 98 | 0 | 0 | 0 | 112.5 | S39 V43 F44 T45 W48 V99 C102 D103 E106 | S39-W41 PolarHBondContact O-N 3.02Å; W41-V43 PolarHBondContact O-N 3.05Å; W41-F44 PolarHBondContact O-N 3.16Å; W41-T45 PolarHBondContact O-N 3.28Å; W41-T45 PolarHBondContact O-OG1 2.96Å; W41-W48 VanDerWaalsContact C-CH2 3.41Å; W41-W48 HydrophobicContact CB-CH2 3.54Å; W41-W48 HydrophobicContact CB-CZ2 4.31Å; W41-W48 HydrophobicContact CB-CZ3 4.41Å; W41-W48 AromaticContact CD2-CH2 3.94Å; W41-W48 HydrophobicContact CD2-CH2 3.94Å; W41-W48 HydrophobicContact CD2-CZ2 4.24Å; W41-W48 AromaticContact CE3-CH2 3.33Å; W41-W48 HydrophobicContact CE3-CH2 3.33Å; W41-W48 AromaticContact CE3-CZ2 3.55Å; W41-W48 HydrophobicContact CE3-CZ2 3.55Å; W41-W48 HydrophobicContact CE3-CZ3 4.39Å; W41-W48 HydrophobicContact CG-CH2 4.06Å; W41-W48 HydrophobicContact CZ3-CH2 4.32Å; W41-W48 HydrophobicContact CZ3-CZ2 4.25Å; W41-W48 WeakPolarHBondContact O-CH2 3.46Å; W41-W48 WeakPolarHBondContact O-CZ2 3.4Å; W41-W48 WeakPolarHBondContact O-CZ3 3.17Å; W41-V99 HydrophobicContact CH2-CG1 4.13Å; W41-V99 HydrophobicContact CZ3-CG1 4.48Å; W41-C102 HydrophobicContact CD2-CB 4.2Å; W41-C102 HydrophobicContact CE3-CB 4.47Å; W41-C102 HydrophobicContact CH2-CB 4.32Å; W41-C102 HydrophobicContact CZ2-CB 4.09Å; W41-D103 HydrophobicContact CZ2-CB 4.26Å; W41-E106 VanDerWaalsContact NE1-CD 3.3Å; W41-E106 PolarHBondContact NE1-OE2 3.31Å |
| 42 | A | 94.9 | Very high | 93.9 | Very high | 29 Ų | 29 | 56.7 Ų | 56.7 | 24% | 0.24 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.8 | -38.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | W38 S39 Y40 F44 T45 | W38-A42 HydrophobicContact CB-CB 4.12Å; W38-A42 HydrophobicContact CE3-CB 4.15Å; S39-A42 PolarHBondContact O-N 3.45Å; S39-A42 VanDerWaalsContact O-N 3.12Å; S39-A42 PolarHBondContact OG-N 3Å; Y40-A42 PolarHBondContact O-N 3.24Å; A42-F44 VanDerWaalsContact C-N 3.31Å; A42-F44 PolarHBondContact O-N 2.79Å; A42-T45 VanDerWaalsContact O-CB 3.26Å; A42-T45 WeakPolarHBondContact O-CB 3.39Å; A42-T45 PolarHBondContact O-N 3.15Å; A42-T45 PolarHBondContact O-OG1 2.96Å |
| 43 | V | 96.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.1 | -36.7 | 178.1 | 173 | 0 | 0 | 0 | 0 | 112 | F24 L27 L28 K31 I36 S39 Y40 W41 T45 P46 | F24-V43 HydrophobicContact CD2-CG1 4.46Å; F24-V43 HydrophobicContact CE2-CG1 4.33Å; L27-V43 HydrophobicContact CB-CG1 4.03Å; L28-V43 HydrophobicContact CB-CG1 4.14Å; L28-V43 HydrophobicContact CD1-CG1 4.37Å; K31-V43 HydrophobicContact CB-CG2 3.96Å; K31-V43 HydrophobicContact CG-CG2 4.08Å; I36-V43 HydrophobicContact CD1-CG2 4.34Å; S39-V43 PolarHBondContact O-N 2.67Å; S39-V43 VanDerWaalsContact O-N 3.16Å; Y40-V43 PolarHBondContact O-N 3.05Å; W41-V43 PolarHBondContact O-N 3.05Å; V43-T45 VanDerWaalsContact C-N 3.31Å; V43-T45 PolarHBondContact O-N 3.04Å; V43-P46 VanDerWaalsContact O-CD 3.31Å; V43-P46 WeakPolarHBondContact O-CD 3.41Å |
| 44 | F | 95.8 | Very high | 93.4 | Very high | 22 Ų | 22 | 54 Ų | 54 | 10% | 0.096 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -80.2 | -7 | 179.7 | -86.8 | -108.9 | 0 | 0 | 0 | 114.5 | F24 Y40 W41 A42 P46 I47 W48 E98 V101 C102 | F24-F44 HydrophobicContact CE2-CD1 4.01Å; F24-F44 AromaticContact CE2-CD2 3.78Å; F24-F44 HydrophobicContact CE2-CD2 3.78Å; F24-F44 HydrophobicContact CE2-CE1 4.03Å; F24-F44 AromaticContact CE2-CE2 3.8Å; F24-F44 HydrophobicContact CE2-CE2 3.8Å; F24-F44 AromaticContact CE2-CG 3.9Å; F24-F44 HydrophobicContact CE2-CG 3.9Å; F24-F44 AromaticContact CE2-CZ 3.93Å; F24-F44 HydrophobicContact CE2-CZ 3.93Å; F24-F44 HydrophobicContact CZ-CE1 4.14Å; F24-F44 HydrophobicContact CZ-CE2 4.19Å; F24-F44 AromaticContact CZ-CZ 3.95Å; F24-F44 HydrophobicContact CZ-CZ 3.95Å; Y40-F44 VanDerWaalsContact O-CD2 3.28Å; Y40-F44 WeakPolarHBondContact O-CD2 3.25Å; Y40-F44 PolarHBondContact O-N 3.45Å; W41-F44 PolarHBondContact O-N 3.16Å; A42-F44 VanDerWaalsContact C-N 3.31Å; A42-F44 PolarHBondContact O-N 2.79Å; F44-P46 VanDerWaalsContact C-N 3.34Å; F44-P46 VanDerWaalsContact O-N 3.17Å; F44-I47 PolarHBondContact O-N 3.4Å; F44-W48 HydrophobicContact CB-CD2 4.37Å; F44-W48 HydrophobicContact CB-CZ2 3.74Å; F44-W48 PolarHBondContact O-N 3.36Å; F44-W48 VanDerWaalsContact O-N 3.15Å; F44-E98 HydrophobicContact CD1-CB 4.26Å; F44-E98 HydrophobicContact CD1-CG 4.43Å; F44-E98 HydrophobicContact CE1-CB 4.31Å; F44-E98 HydrophobicContact CE1-CG 4.32Å; F44-V101 HydrophobicContact CZ-CG1 3.99Å; F44-C102 VanDerWaalsContact CD2-SG 3.58Å; F44-C102 VanDerWaalsContact CG-SG 3.52Å |
| 45 | T | 94.6 | Very high | 93.2 | Very high | 69 Ų | 69 | 54.6 Ų | 54.6 | 42% | 0.423 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -50.3 | -41.3 | -176.9 | -63.1 | 0 | 0 | 0 | 0 | 114.5 | W41 A42 V43 I47 W48 L49 | W41-T45 PolarHBondContact O-N 3.28Å; W41-T45 PolarHBondContact O-OG1 2.96Å; A42-T45 VanDerWaalsContact O-CB 3.26Å; A42-T45 WeakPolarHBondContact O-CB 3.39Å; A42-T45 PolarHBondContact O-N 3.15Å; A42-T45 PolarHBondContact O-OG1 2.96Å; V43-T45 VanDerWaalsContact C-N 3.31Å; V43-T45 PolarHBondContact O-N 3.04Å; T45-I47 VanDerWaalsContact C-N 3.3Å; T45-I47 PolarHBondContact O-N 3.42Å; T45-W48 PolarHBondContact O-N 3.22Å; T45-L49 PolarHBondContact O-N 3.15Å |
| 46 | P | 95.8 | Very high | 92.9 | Very high | 9 Ų | 9 | 53.3 Ų | 53.3 | 6% | 0.058 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.2 | -37.6 | 177 | -23.5 | 34.7 | 0 | 0 | 0 | 113.5 | C20 L23 F24 L27 V43 F44 W50 | C20-P46 HydrophobicContact CB-CB 4.46Å; C20-P46 WeakPolarHBondContact CB-O 3.33Å; C20-P46 WeakPolarHBondContact O-CB 3.26Å; C20-P46 PolarHBondContact SG-O 3.24Å; L23-P46 HydrophobicContact CB-CB 4.11Å; L23-P46 HydrophobicContact CB-CG 4.07Å; L23-P46 HydrophobicContact CD2-CB 3.99Å; L23-P46 HydrophobicContact CD2-CG 3.63Å; L23-P46 HydrophobicContact CG-CB 4.14Å; L23-P46 HydrophobicContact CG-CG 3.62Å; F24-P46 HydrophobicContact CB-CB 4.35Å; L27-P46 HydrophobicContact CD1-CG 3.85Å; V43-P46 VanDerWaalsContact O-CD 3.31Å; V43-P46 WeakPolarHBondContact O-CD 3.41Å; F44-P46 VanDerWaalsContact C-N 3.34Å; F44-P46 VanDerWaalsContact O-N 3.17Å; P46-W50 PolarHBondContact O-N 3Å |
| 47 | I | 93.9 | Very high | 92.4 | Very high | 8 Ų | 8 | 52.2 Ų | 52.2 | 4% | 0.041 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -71.8 | -42.1 | 179.1 | -55.3 | -56.7 | 0 | 0 | 0 | 110.1 | L21 F24 F44 T45 L49 W50 K51 E98 | L21-I47 HydrophobicContact CD2-CD1 3.89Å; F24-I47 HydrophobicContact CB-CD1 3.58Å; F24-I47 HydrophobicContact CB-CG1 3.71Å; F24-I47 HydrophobicContact CD1-CD1 4.07Å; F24-I47 HydrophobicContact CD1-CG1 4.09Å; F24-I47 HydrophobicContact CD2-CD1 4.47Å; F24-I47 HydrophobicContact CD2-CG1 3.74Å; F24-I47 HydrophobicContact CE2-CG1 4.39Å; F24-I47 HydrophobicContact CG-CD1 3.79Å; F24-I47 HydrophobicContact CG-CG1 3.56Å; F44-I47 PolarHBondContact O-N 3.4Å; T45-I47 VanDerWaalsContact C-N 3.3Å; T45-I47 PolarHBondContact O-N 3.42Å; I47-L49 VanDerWaalsContact C-N 3.32Å; I47-L49 PolarHBondContact O-N 3.37Å; I47-W50 HydrophobicContact CG2-CE3 4.27Å; I47-W50 WeakPolarHBondContact O-CB 3.42Å; I47-W50 PolarHBondContact O-N 2.77Å; I47-W50 VanDerWaalsContact O-N 3.15Å; I47-K51 WeakPolarHBondContact O-CG 3.29Å; I47-K51 PolarHBondContact O-N 2.98Å; I47-E98 VanDerWaalsContact CG2-OE1 3.23Å; I47-E98 WeakPolarHBondContact CG2-OE1 3.34Å; I47-E98 VanDerWaalsContact CG2-OE2 3.26Å; I47-E98 WeakPolarHBondContact CG2-OE2 3.49Å |
| 48 | W | 93.4 | Very high | 92.1 | Very high | 64 Ų | 64 | 45.3 Ų | 45.3 | 24% | 0.242 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.6 | -40.1 | 177 | -56.9 | -17.2 | 0 | 0 | 0 | 112.5 | W41 F44 T45 W50 K51 L52 | W41-W48 VanDerWaalsContact C-CH2 3.41Å; W41-W48 HydrophobicContact CB-CH2 3.54Å; W41-W48 HydrophobicContact CB-CZ2 4.31Å; W41-W48 HydrophobicContact CB-CZ3 4.41Å; W41-W48 AromaticContact CD2-CH2 3.94Å; W41-W48 HydrophobicContact CD2-CH2 3.94Å; W41-W48 HydrophobicContact CD2-CZ2 4.24Å; W41-W48 AromaticContact CE3-CH2 3.33Å; W41-W48 HydrophobicContact CE3-CH2 3.33Å; W41-W48 AromaticContact CE3-CZ2 3.55Å; W41-W48 HydrophobicContact CE3-CZ2 3.55Å; W41-W48 HydrophobicContact CE3-CZ3 4.39Å; W41-W48 HydrophobicContact CG-CH2 4.06Å; W41-W48 HydrophobicContact CZ3-CH2 4.32Å; W41-W48 HydrophobicContact CZ3-CZ2 4.25Å; W41-W48 WeakPolarHBondContact O-CH2 3.46Å; W41-W48 WeakPolarHBondContact O-CZ2 3.4Å; W41-W48 WeakPolarHBondContact O-CZ3 3.17Å; F44-W48 HydrophobicContact CB-CD2 4.37Å; F44-W48 HydrophobicContact CB-CZ2 3.74Å; F44-W48 PolarHBondContact O-N 3.36Å; F44-W48 VanDerWaalsContact O-N 3.15Å; T45-W48 PolarHBondContact O-N 3.22Å; W48-W50 VanDerWaalsContact C-N 3.27Å; W48-W50 PolarHBondContact O-N 2.94Å; W48-K51 PolarHBondContact O-N 2.86Å; W48-L52 VanDerWaalsContact O-CB 3.26Å; W48-L52 WeakPolarHBondContact O-CB 3.31Å; W48-L52 PolarHBondContact O-N 3.37Å |
| 49 | L | 91.2 | Very high | 91.8 | Very high | 93 Ų | 93 | 42.1 Ų | 42.1 | 49% | 0.487 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -56.9 | -45.1 | 174.7 | 178.4 | 63.2 | 0 | 0 | 0 | 110.6 | T45 I47 L52 L53 | T45-L49 PolarHBondContact O-N 3.15Å; I47-L49 VanDerWaalsContact C-N 3.32Å; I47-L49 PolarHBondContact O-N 3.37Å; L49-L52 PolarHBondContact O-N 3.13Å; L49-L53 HydrophobicContact CD1-CD1 4.35Å; L49-L53 HydrophobicContact CG-CD1 4.22Å; L49-L53 VanDerWaalsContact O-CG 3.29Å; L49-L53 WeakPolarHBondContact O-CG 3.21Å; L49-L53 PolarHBondContact O-N 3.3Å |
| 50 | W | 90.5 | Very high | 91.5 | Very high | 21 Ų | 21 | 42.5 Ų | 42.5 | 8% | 0.08 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.1 | -49.8 | 174.9 | 166.1 | 40.1 | 0 | 0 | 0 | 112.4 | L16 I17 C20 P46 I47 W48 L52 L53 V54 H91 | L16-W50 HydrophobicContact CD2-CB 3.86Å; L16-W50 HydrophobicContact CD2-CG 3.94Å; I17-W50 HydrophobicContact CB-CZ2 4.34Å; I17-W50 HydrophobicContact CD1-CZ2 3.9Å; I17-W50 HydrophobicContact CG1-CD2 4.3Å; I17-W50 VanDerWaalsContact CG1-CE2 3.5Å; I17-W50 HydrophobicContact CG1-CH2 4.5Å; I17-W50 HydrophobicContact CG1-CZ2 3.59Å; I17-W50 HydrophobicContact CG2-CH2 3.99Å; I17-W50 HydrophobicContact CG2-CZ2 3.9Å; I17-W50 HydrophobicContact CG2-CZ3 4.49Å; C20-W50 HydrophobicContact CB-CB 4.05Å; P46-W50 PolarHBondContact O-N 3Å; I47-W50 HydrophobicContact CG2-CE3 4.27Å; I47-W50 WeakPolarHBondContact O-CB 3.42Å; I47-W50 PolarHBondContact O-N 2.77Å; I47-W50 VanDerWaalsContact O-N 3.15Å; W48-W50 VanDerWaalsContact C-N 3.27Å; W48-W50 PolarHBondContact O-N 2.94Å; W50-L52 VanDerWaalsContact C-N 3.33Å; W50-L52 PolarHBondContact O-N 3.23Å; W50-L53 PolarHBondContact O-N 3.36Å; W50-V54 WeakPolarHBondContact O-CG2 3.43Å; W50-V54 PolarHBondContact O-N 3.33Å; W50-V54 VanDerWaalsContact O-N 3.1Å; W50-H91 AromaticContact CE2-CE1 3.87Å; W50-H91 AromaticContact CH2-CE1 3.96Å; W50-H91 AromaticContact CZ2-CE1 3.36Å; W50-H91 WeakPolarHBondContact CZ2-CE1 2.93Å |
| 51 | K | 90.4 | Very high | 91.1 | Very high | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.017 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.3 | -41.5 | 179 | -59.5 | -53.6 | -175.9 | -169.7 | 0 | 112 | I47 W48 L53 V54 I55 H91 L95 E98 | I47-K51 WeakPolarHBondContact O-CG 3.29Å; I47-K51 PolarHBondContact O-N 2.98Å; W48-K51 PolarHBondContact O-N 2.86Å; K51-L53 VanDerWaalsContact C-N 3.34Å; K51-L53 PolarHBondContact O-N 3.26Å; K51-V54 WeakPolarHBondContact O-CB 3.07Å; K51-V54 PolarHBondContact O-N 3.19Å; K51-I55 WeakPolarHBondContact O-CG1 3.4Å; K51-I55 PolarHBondContact O-N 3.36Å; K51-H91 HydrophobicContact CD-CB 4.33Å; K51-H91 WeakPolarHBondContact CD-ND1 3.26Å; K51-H91 PolarHBondContact NZ-ND1 3.25Å; K51-L95 HydrophobicContact CB-CD1 4.23Å; K51-L95 HydrophobicContact CG-CB 4.43Å; K51-L95 HydrophobicContact CG-CD1 4.25Å; K51-E98 WeakPolarHBondContact CE-OE1 3.35Å; K51-E98 IonicContact NZ-OE1 2.66Å |
| 52 | L | 90.8 | Very high | 90.8 | Very high | 95 Ų | 95 | 38.5 Ų | 38.5 | 50% | 0.497 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.5 | -45.4 | 177.3 | -178.2 | 68.4 | 0 | 0 | 0 | 110.9 | W48 L49 W50 V54 I55 I56 | W48-L52 VanDerWaalsContact O-CB 3.26Å; W48-L52 WeakPolarHBondContact O-CB 3.31Å; W48-L52 PolarHBondContact O-N 3.37Å; L49-L52 PolarHBondContact O-N 3.13Å; W50-L52 VanDerWaalsContact C-N 3.33Å; W50-L52 PolarHBondContact O-N 3.23Å; L52-V54 VanDerWaalsContact C-N 3.31Å; L52-V54 PolarHBondContact O-N 3.15Å; L52-I55 PolarHBondContact O-N 3.17Å; L52-I56 HydrophobicContact CD1-CD1 4.2Å; L52-I56 HydrophobicContact CD1-CG1 4.43Å; L52-I56 HydrophobicContact CD2-CD1 4.37Å; L52-I56 HydrophobicContact CG-CD1 3.83Å; L52-I56 HydrophobicContact CG-CG1 4.42Å; L52-I56 VanDerWaalsContact O-CG1 3.29Å; L52-I56 WeakPolarHBondContact O-CG1 3.37Å; L52-I56 PolarHBondContact O-N 3.47Å |
| 53 | L | 88.6 | Confident | 90.3 | Very high | 40 Ų | 40 | 39.1 Ų | 39.1 | 21% | 0.209 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.8 | -38.8 | 176.9 | -72.7 | 165.5 | 0 | 0 | 0 | 112.2 | L16 L49 W50 K51 G57 F272 | L16-L53 HydrophobicContact CD1-CD1 3.43Å; L16-L53 VanDerWaalsContact CD1-CD1 3.43Å; L16-L53 HydrophobicContact CD2-CD1 4.11Å; L16-L53 HydrophobicContact CG-CD1 4.37Å; L49-L53 HydrophobicContact CD1-CD1 4.35Å; L49-L53 HydrophobicContact CG-CD1 4.22Å; L49-L53 VanDerWaalsContact O-CG 3.29Å; L49-L53 WeakPolarHBondContact O-CG 3.21Å; L49-L53 PolarHBondContact O-N 3.3Å; W50-L53 PolarHBondContact O-N 3.36Å; K51-L53 VanDerWaalsContact C-N 3.34Å; K51-L53 PolarHBondContact O-N 3.26Å; L53-G57 PolarHBondContact O-N 3.45Å; L53-F272 HydrophobicContact CD2-CZ 3.87Å |
| 54 | V | 88 | Confident | 89.8 | Confident | 19 Ų | 19 | 41.2 Ų | 41.2 | 12% | 0.115 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.5 | -44.8 | 174 | 173.4 | 0 | 0 | 0 | 0 | 111.4 | W50 K51 L52 G57 A58 V88 H91 | W50-V54 WeakPolarHBondContact O-CG2 3.43Å; W50-V54 PolarHBondContact O-N 3.33Å; W50-V54 VanDerWaalsContact O-N 3.1Å; K51-V54 WeakPolarHBondContact O-CB 3.07Å; K51-V54 PolarHBondContact O-N 3.19Å; L52-V54 VanDerWaalsContact C-N 3.31Å; L52-V54 PolarHBondContact O-N 3.15Å; V54-G57 PolarHBondContact O-N 2.92Å; V54-A58 WeakPolarHBondContact O-CB 3.49Å; V54-A58 PolarHBondContact O-N 3.44Å; V54-V88 HydrophobicContact CG1-CG2 4.13Å; V54-H91 HydrophobicContact CG1-CB 4.15Å |
| 55 | I | 90.3 | Very high | 89.2 | Confident | 50 Ų | 50 | 41.4 Ų | 41.4 | 26% | 0.256 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.9 | -43.5 | 179.8 | -66.6 | 166.3 | 0 | 0 | 0 | 111.3 | K51 L52 A58 S59 V92 L95 | K51-I55 WeakPolarHBondContact O-CG1 3.4Å; K51-I55 PolarHBondContact O-N 3.36Å; L52-I55 PolarHBondContact O-N 3.17Å; I55-A58 PolarHBondContact O-N 2.72Å; I55-S59 WeakPolarHBondContact O-CB 3.43Å; I55-S59 PolarHBondContact O-N 3.3Å; I55-S59 PolarHBondContact O-OG 3.44Å; I55-V92 HydrophobicContact CD1-CG2 4.42Å; I55-V92 HydrophobicContact CG1-CG2 4.47Å; I55-L95 HydrophobicContact CD1-CD2 4.03Å |
| 56 | I | 88.6 | Confident | 88.8 | Confident | 75 Ų | 75 | 41.2 Ų | 41.2 | 39% | 0.385 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.3 | -48.1 | 175.6 | -66.4 | 169.2 | 0 | 0 | 0 | 109.6 | L52 A58 S59 V60 F272 | L52-I56 HydrophobicContact CD1-CD1 4.2Å; L52-I56 HydrophobicContact CD1-CG1 4.43Å; L52-I56 HydrophobicContact CD2-CD1 4.37Å; L52-I56 HydrophobicContact CG-CD1 3.83Å; L52-I56 HydrophobicContact CG-CG1 4.42Å; L52-I56 VanDerWaalsContact O-CG1 3.29Å; L52-I56 WeakPolarHBondContact O-CG1 3.37Å; L52-I56 PolarHBondContact O-N 3.47Å; I56-A58 VanDerWaalsContact C-N 3.27Å; I56-A58 PolarHBondContact O-N 2.94Å; I56-S59 WeakPolarHBondContact O-CB 3.22Å; I56-S59 PolarHBondContact O-N 2.91Å; I56-S59 VanDerWaalsContact O-N 3.14Å; I56-V60 HydrophobicContact CG2-CG2 4.46Å; I56-V60 WeakPolarHBondContact O-CG2 3.24Å; I56-V60 PolarHBondContact O-N 2.88Å; I56-F272 HydrophobicContact CB-CE1 4.38Å; I56-F272 HydrophobicContact CG2-CD1 4.48Å; I56-F272 HydrophobicContact CG2-CE1 3.9Å |
| 57 | G | 86.4 | Confident | 88.3 | Confident | 6 Ų | 6 | 48.2 Ų | 48.2 | 6% | 0.062 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.8 | -41.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L53 V54 G61 | L53-G57 PolarHBondContact O-N 3.45Å; V54-G57 PolarHBondContact O-N 2.92Å; G57-G61 PolarHBondContact O-N 2.9Å |
| 58 | A | 87.8 | Confident | 87.8 | Confident | 7 Ų | 7 | 50 Ų | 50 | 6% | 0.058 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -72.2 | -35 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | V54 I55 I56 G61 T62 M84 V88 | V54-A58 WeakPolarHBondContact O-CB 3.49Å; V54-A58 PolarHBondContact O-N 3.44Å; I55-A58 PolarHBondContact O-N 2.72Å; I56-A58 VanDerWaalsContact C-N 3.27Å; I56-A58 PolarHBondContact O-N 2.94Å; A58-G61 PolarHBondContact O-N 3.39Å; A58-T62 VanDerWaalsContact O-CB 3.32Å; A58-T62 WeakPolarHBondContact O-CB 3.15Å; A58-T62 PolarHBondContact O-N 3.29Å; A58-T62 PolarHBondContact O-OG1 3.34Å; A58-M84 HydrophobicContact CB-CG 4.46Å; A58-M84 HydrophobicContact CB-SD 4.42Å; A58-V88 HydrophobicContact CB-CB 4.21Å; A58-V88 HydrophobicContact CB-CG1 4.12Å; A58-V88 HydrophobicContact CB-CG2 3.16Å |
| 59 | S | 88.5 | Confident | 87.1 | Confident | 76 Ų | 76 | 51.1 Ų | 51.1 | 53% | 0.531 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.8 | -44.6 | 175.2 | -62.4 | 0 | 0 | 0 | 0 | 110.4 | I55 I56 T62 G63 | I55-S59 WeakPolarHBondContact O-CB 3.43Å; I55-S59 PolarHBondContact O-N 3.3Å; I55-S59 PolarHBondContact O-OG 3.44Å; I56-S59 WeakPolarHBondContact O-CB 3.22Å; I56-S59 PolarHBondContact O-N 2.91Å; I56-S59 VanDerWaalsContact O-N 3.14Å; S59-T62 PolarHBondContact O-N 3.42Å; S59-G63 PolarHBondContact O-N 2.84Å |
| 60 | V | 87.4 | Confident | 86.4 | Confident | 65 Ų | 65 | 53.8 Ų | 53.8 | 39% | 0.394 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.9 | -48 | 172.5 | 175.5 | 0 | 0 | 0 | 0 | 110.8 | I56 T62 G63 V64 F272 | I56-V60 HydrophobicContact CG2-CG2 4.46Å; I56-V60 WeakPolarHBondContact O-CG2 3.24Å; I56-V60 PolarHBondContact O-N 2.88Å; V60-T62 VanDerWaalsContact C-N 3.3Å; V60-T62 PolarHBondContact O-N 3.14Å; V60-G63 PolarHBondContact O-N 2.85Å; V60-G63 VanDerWaalsContact O-N 3.15Å; V60-V64 HydrophobicContact CG1-CG2 4.46Å; V60-V64 WeakPolarHBondContact O-CG2 3.25Å; V60-V64 PolarHBondContact O-N 3.46Å; V60-F272 WeakPolarHBondContact CG1-O 3.28Å |
| 61 | G | 85.3 | Confident | 85.5 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.9 | -40.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | G57 A58 V64 W65 W270 | G57-G61 PolarHBondContact O-N 2.9Å; A58-G61 PolarHBondContact O-N 3.39Å; G61-V64 PolarHBondContact O-N 3.3Å; G61-W65 WeakPolarHBondContact O-CB 3.23Å; G61-W65 PolarHBondContact O-N 3.14Å; G61-W270 WeakPolarHBondContact O-CZ3 3.27Å |
| 62 | T | 87.6 | Confident | 84.8 | Confident | 56 Ų | 56 | 62.5 Ų | 62.5 | 34% | 0.344 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.6 | -40.2 | 175.9 | -56.5 | 0 | 0 | 0 | 0 | 112 | A58 S59 V60 W65 A66 F81 | A58-T62 VanDerWaalsContact O-CB 3.32Å; A58-T62 WeakPolarHBondContact O-CB 3.15Å; A58-T62 PolarHBondContact O-N 3.29Å; A58-T62 PolarHBondContact O-OG1 3.34Å; S59-T62 PolarHBondContact O-N 3.42Å; V60-T62 VanDerWaalsContact C-N 3.3Å; V60-T62 PolarHBondContact O-N 3.14Å; T62-W65 PolarHBondContact O-N 2.9Å; T62-A66 WeakPolarHBondContact O-CB 3.43Å; T62-A66 PolarHBondContact O-N 2.74Å; T62-F81 HydrophobicContact CG2-CZ 4.35Å |
| 63 | G | 86.1 | Confident | 83.8 | Confident | 42 Ų | 42 | 62.3 Ų | 62.3 | 43% | 0.433 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S59 V60 A66 H67 | S59-G63 PolarHBondContact O-N 2.84Å; V60-G63 PolarHBondContact O-N 2.85Å; V60-G63 VanDerWaalsContact O-N 3.15Å; G63-A66 PolarHBondContact O-N 3.33Å; G63-H67 PolarHBondContact O-N 3.11Å; G63-H67 VanDerWaalsContact O-N 3.09Å |
| 64 | V | 84.9 | Confident | 83.3 | Confident | 44 Ų | 44 | 65.6 Ų | 65.6 | 27% | 0.267 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 176.1 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | V60 G61 H67 N68 Y71 | V60-V64 HydrophobicContact CG1-CG2 4.46Å; V60-V64 WeakPolarHBondContact O-CG2 3.25Å; V60-V64 PolarHBondContact O-N 3.46Å; G61-V64 PolarHBondContact O-N 3.3Å; V64-H67 PolarHBondContact O-N 3.47Å; V64-N68 PolarHBondContact O-N 3.11Å; V64-N68 PolarHBondContact O-ND2 3.32Å; V64-Y71 HydrophobicContact CG1-CE2 4.02Å |
| 65 | W | 83.9 | Confident | 82.6 | Confident | 26 Ų | 26 | 67.1 Ų | 67.1 | 10% | 0.098 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 175.7 | 179.9 | -95 | 0 | 0 | 0 | 112.5 | G61 T62 Y71 R72 C78 F81 W270 | G61-W65 WeakPolarHBondContact O-CB 3.23Å; G61-W65 PolarHBondContact O-N 3.14Å; T62-W65 PolarHBondContact O-N 2.9Å; W65-Y71 HydrophobicContact CE3-CD2 4.34Å; W65-Y71 VanDerWaalsContact CH2-O 3.31Å; W65-Y71 WeakPolarHBondContact CH2-O 3.33Å; W65-Y71 VanDerWaalsContact CZ3-CB 3.49Å; W65-R72 HydrophobicContact CH2-CG 4.5Å; W65-R72 HydrophobicContact CZ2-CG 3.89Å; W65-C78 HydrophobicContact CH2-CB 3.91Å; W65-F81 HydrophobicContact CB-CD2 3.89Å; W65-F81 HydrophobicContact CB-CE2 3.61Å; W65-F81 HydrophobicContact CB-CZ 4.11Å; W65-F81 AromaticContact CD1-CE1 3.72Å; W65-F81 AromaticContact CD1-CZ 3.68Å; W65-F81 HydrophobicContact CD2-CB 4.2Å; W65-F81 AromaticContact CD2-CD1 3.89Å; W65-F81 HydrophobicContact CD2-CD1 3.89Å; W65-F81 AromaticContact CD2-CD2 3.85Å; W65-F81 HydrophobicContact CD2-CD2 3.85Å; W65-F81 HydrophobicContact CD2-CE1 4.24Å; W65-F81 HydrophobicContact CD2-CE2 4.22Å; W65-F81 AromaticContact CD2-CG 3.69Å; W65-F81 HydrophobicContact CD2-CG 3.69Å; W65-F81 HydrophobicContact CD2-CZ 4.4Å; W65-F81 AromaticContact CE2-CD1 3.79Å; W65-F81 HydrophobicContact CE3-CB 3.81Å; W65-F81 HydrophobicContact CE3-CD1 4.38Å; W65-F81 HydrophobicContact CE3-CD2 4Å; W65-F81 AromaticContact CE3-CG 3.8Å; W65-F81 HydrophobicContact CE3-CG 3.8Å; W65-F81 HydrophobicContact CG-CD1 4.16Å; W65-F81 AromaticContact CG-CD2 3.79Å; W65-F81 HydrophobicContact CG-CD2 3.79Å; W65-F81 HydrophobicContact CG-CE1 4.03Å; W65-F81 AromaticContact CG-CE2 3.68Å; W65-F81 HydrophobicContact CG-CE2 3.68Å; W65-F81 HydrophobicContact CG-CG 4.05Å; W65-F81 AromaticContact CG-CZ 3.8Å; W65-F81 HydrophobicContact CG-CZ 3.8Å; W65-F81 HydrophobicContact CH2-CB 4.3Å; W65-F81 HydrophobicContact CZ2-CD1 4.24Å; W65-F81 HydrophobicContact CZ3-CB 3.86Å; W65-F81 HydrophobicContact CZ3-CG 4.27Å; W65-F81 AromaticContact NE1-CD1 3.91Å; W65-F81 AromaticContact NE1-CE1 3.75Å; W65-W270 HydrophobicContact CB-CH2 4.44Å; W65-W270 AromaticContact CE3-CH2 3.86Å; W65-W270 HydrophobicContact CE3-CH2 3.86Å; W65-W270 HydrophobicContact CE3-CZ2 4.09Å; W65-W270 HydrophobicContact CZ3-CZ2 4.46Å |
| 66 | A | 85.8 | Confident | 82.1 | Confident | 66 Ų | 66 | 72.1 Ų | 72.1 | 55% | 0.545 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.6 | -37.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T62 G63 N68 | T62-A66 WeakPolarHBondContact O-CB 3.43Å; T62-A66 PolarHBondContact O-N 2.74Å; G63-A66 PolarHBondContact O-N 3.33Å; A66-N68 VanDerWaalsContact C-N 3.34Å |
| 67 | H | 85.7 | Confident | 81.5 | Confident | 155 Ų | 155 | 69.2 Ų | 69.2 | 72% | 0.718 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -75.3 | -21.3 | -177.7 | -167.8 | -81.2 | 0 | 0 | 0 | 113.6 | G63 V64 P69 | G63-H67 PolarHBondContact O-N 3.11Å; G63-H67 VanDerWaalsContact O-N 3.09Å; V64-H67 PolarHBondContact O-N 3.47Å; H67-P69 WeakPolarHBondContact O-CD 3.47Å |
| 68 | N | 82.1 | Confident | 81.3 | Confident | 46 Ų | 46 | 70.4 Ų | 70.4 | 25% | 0.246 | 41% | 0.405 | C | S | . | . | trans | -122.1 | 85.8 | -170.5 | -67.2 | -73.6 | 0 | 0 | 0 | 111.1 | V64 A66 Q70 Y71 | V64-N68 PolarHBondContact O-N 3.11Å; V64-N68 PolarHBondContact O-ND2 3.32Å; A66-N68 VanDerWaalsContact C-N 3.34Å; N68-Q70 PolarHBondContact O-N 3.37Å; N68-Q70 VanDerWaalsContact O-N 3.13Å; N68-Y71 HydrophobicContact CB-CD1 4.49Å; N68-Y71 HydrophobicContact CB-CD2 3.39Å; N68-Y71 HydrophobicContact CB-CE1 4.15Å; N68-Y71 HydrophobicContact CB-CE2 3.02Å; N68-Y71 HydrophobicContact CB-CG 4.14Å; N68-Y71 VanDerWaalsContact CB-CZ 3.43Å; N68-Y71 VanDerWaalsContact O-CD2 3.32Å; N68-Y71 WeakPolarHBondContact O-CD2 3.25Å; N68-Y71 PolarHBondContact O-N 3.02Å | ||
| 69 | P | 79.3 | Confident | 81.1 | Confident | 87 Ų | 87 | 71.9 Ų | 71.9 | 57% | 0.565 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -65.3 | -18.7 | -176 | 24.9 | -33.5 | 0 | 0 | 0 | 113.8 | H67 Y71 R72 | H67-P69 WeakPolarHBondContact O-CD 3.47Å; P69-Y71 PolarHBondContact O-N 2.85Å; P69-R72 WeakPolarHBondContact O-CB 3.35Å; P69-R72 PolarHBondContact O-N 3.45Å |
| 70 | Q | 77.3 | Confident | 80.7 | Confident | 149 Ų | 149 | 71 Ų | 71 | 70% | 0.696 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -57.4 | -29.9 | 176.4 | -66.8 | 178.4 | -13.7 | 0 | 0 | 112.5 | N68 R72 A73 | N68-Q70 PolarHBondContact O-N 3.37Å; N68-Q70 VanDerWaalsContact O-N 3.13Å; Q70-R72 PolarHBondContact O-N 2.85Å; Q70-R72 VanDerWaalsContact O-N 3.16Å; Q70-A73 WeakPolarHBondContact O-CB 3.32Å; Q70-A73 PolarHBondContact O-N 3.18Å |
| 71 | Y | 71 | Confident | 80.6 | Confident | 40 Ų | 40 | 68.9 Ų | 68.9 | 16% | 0.157 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -67.1 | -15.6 | 178.2 | -52.3 | -30.4 | 0 | 0 | 0 | 113.3 | V64 W65 N68 P69 A73 T77 R275 | V64-Y71 HydrophobicContact CG1-CE2 4.02Å; W65-Y71 HydrophobicContact CE3-CD2 4.34Å; W65-Y71 VanDerWaalsContact CH2-O 3.31Å; W65-Y71 WeakPolarHBondContact CH2-O 3.33Å; W65-Y71 VanDerWaalsContact CZ3-CB 3.49Å; N68-Y71 HydrophobicContact CB-CD1 4.49Å; N68-Y71 HydrophobicContact CB-CD2 3.39Å; N68-Y71 HydrophobicContact CB-CE1 4.15Å; N68-Y71 HydrophobicContact CB-CE2 3.02Å; N68-Y71 HydrophobicContact CB-CG 4.14Å; N68-Y71 VanDerWaalsContact CB-CZ 3.43Å; N68-Y71 VanDerWaalsContact O-CD2 3.32Å; N68-Y71 WeakPolarHBondContact O-CD2 3.25Å; N68-Y71 PolarHBondContact O-N 3.02Å; P69-Y71 PolarHBondContact O-N 2.85Å; Y71-A73 VanDerWaalsContact C-N 3.3Å; Y71-T77 PolarHBondContact O-OG1 3.23Å; Y71-R275 VanDerWaalsContact CD1-NH1 3.32Å; Y71-R275 VanDerWaalsContact CE1-NH2 3.29Å |
| 72 | R | 74.4 | Confident | 80.6 | Confident | 168 Ų | 168 | 73.9 Ų | 73.9 | 63% | 0.634 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -76.3 | -20.6 | 174.1 | -59.1 | -177.7 | -173 | 172.6 | 3.3 | 112.8 | W65 P69 Q70 | W65-R72 HydrophobicContact CH2-CG 4.5Å; W65-R72 HydrophobicContact CZ2-CG 3.89Å; P69-R72 WeakPolarHBondContact O-CB 3.35Å; P69-R72 PolarHBondContact O-N 3.45Å; Q70-R72 PolarHBondContact O-N 2.85Å; Q70-R72 VanDerWaalsContact O-N 3.16Å |
| 73 | A | 71.4 | Confident | 80.5 | Confident | 92 Ų | 92 | 71.5 Ų | 71.5 | 76% | 0.76 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -29 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q70 Y71 G75 | Q70-A73 WeakPolarHBondContact O-CB 3.32Å; Q70-A73 PolarHBondContact O-N 3.18Å; Y71-A73 VanDerWaalsContact C-N 3.3Å; A73-G75 PolarHBondContact O-N 3Å |
| 74 | E | 76.8 | Confident | 80.5 | Confident | 108 Ų | 108 | 69.9 Ų | 69.9 | 51% | 0.505 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -86 | 98.4 | 175.7 | -71.3 | 171.7 | -176.4 | 0 | 0 | 110 | E76 T77 C78 | E74-E76 PolarHBondContact O-N 3.33Å; E74-E76 VanDerWaalsContact O-N 3.12Å; E74-T77 HydrophobicContact CB-CG2 4.03Å; E74-T77 PolarHBondContact O-N 3.02Å; E74-T77 VanDerWaalsContact O-N 3.14Å; E74-T77 PolarHBondContact O-OG1 3.33Å; E74-T77 WeakPolarHBondContact OE2-CG2 3.34Å; E74-C78 PolarHBondContact O-N 2.94Å |
| 75 | G | 74.9 | Confident | 80.7 | Confident | 52 Ų | 52 | 71.7 Ų | 71.7 | 54% | 0.536 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -54.1 | -32.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | A73 C78 V79 | A73-G75 PolarHBondContact O-N 3Å; G75-C78 WeakPolarHBondContact O-CB 3.11Å; G75-C78 PolarHBondContact O-N 2.94Å; G75-V79 WeakPolarHBondContact O-CG2 3.24Å; G75-V79 PolarHBondContact O-N 2.88Å |
| 76 | E | 78.3 | Confident | 80.9 | Confident | 154 Ų | 154 | 72.7 Ų | 72.7 | 72% | 0.72 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -64.4 | -47.3 | 177.9 | -170.3 | 171.5 | -168 | 0 | 0 | 112.1 | E74 C78 V79 E80 | E74-E76 PolarHBondContact O-N 3.33Å; E74-E76 VanDerWaalsContact O-N 3.12Å; E76-C78 PolarHBondContact O-N 2.9Å; E76-V79 WeakPolarHBondContact O-CB 3.3Å; E76-V79 PolarHBondContact O-N 2.87Å; E76-E80 PolarHBondContact O-N 3.5Å; E76-E80 VanDerWaalsContact O-N 3.11Å |
| 77 | T | 77.1 | Confident | 81 | Confident | 14 Ų | 14 | 70.4 Ų | 70.4 | 9% | 0.086 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.1 | -28.1 | 178.9 | 69.5 | 0 | 0 | 0 | 0 | 112.8 | Y71 E74 F81 | Y71-T77 PolarHBondContact O-OG1 3.23Å; E74-T77 HydrophobicContact CB-CG2 4.03Å; E74-T77 PolarHBondContact O-N 3.02Å; E74-T77 VanDerWaalsContact O-N 3.14Å; E74-T77 PolarHBondContact O-OG1 3.33Å; E74-T77 WeakPolarHBondContact OE2-CG2 3.34Å; T77-F81 WeakPolarHBondContact O-CB 3.29Å; T77-F81 PolarHBondContact O-N 3.41Å |
| 78 | C | 81.7 | Confident | 81.3 | Confident | 31 Ų | 31 | 64.3 Ų | 64.3 | 21% | 0.209 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.4 | -37.1 | 173.8 | -176.4 | 0 | 0 | 0 | 0 | 112.1 | W65 E74 G75 E76 K82 | W65-C78 HydrophobicContact CH2-CB 3.91Å; E74-C78 PolarHBondContact O-N 2.94Å; G75-C78 WeakPolarHBondContact O-CB 3.11Å; G75-C78 PolarHBondContact O-N 2.94Å; E76-C78 PolarHBondContact O-N 2.9Å; C78-K82 VanDerWaalsContact O-CG 3.29Å; C78-K82 WeakPolarHBondContact O-CG 3.26Å; C78-K82 PolarHBondContact O-N 3.46Å |
| 79 | V | 83.6 | Confident | 81.8 | Confident | 39 Ų | 39 | 63.8 Ų | 63.8 | 24% | 0.236 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.4 | -47.2 | 174.8 | 174.4 | 0 | 0 | 0 | 0 | 109.9 | G75 E76 F81 K82 A83 W132 H136 | G75-V79 WeakPolarHBondContact O-CG2 3.24Å; G75-V79 PolarHBondContact O-N 2.88Å; E76-V79 WeakPolarHBondContact O-CB 3.3Å; E76-V79 PolarHBondContact O-N 2.87Å; V79-F81 VanDerWaalsContact C-N 3.34Å; V79-F81 PolarHBondContact O-N 3.48Å; V79-K82 PolarHBondContact O-N 2.91Å; V79-A83 WeakPolarHBondContact O-CB 3.49Å; V79-A83 PolarHBondContact O-N 3.47Å; V79-W132 HydrophobicContact CG1-CH2 3.91Å; V79-W132 HydrophobicContact CG1-CZ2 3.89Å; V79-W132 WeakPolarHBondContact O-CH2 3.44Å; V79-H136 HydrophobicContact CG1-CB 3.82Å |
| 80 | E | 81.1 | Confident | 82.4 | Confident | 58 Ų | 58 | 59.7 Ų | 59.7 | 27% | 0.271 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.2 | -40.8 | 177.7 | -63.3 | -174.8 | 145.3 | 0 | 0 | 112.9 | E76 A83 M84 H269 W270 | E76-E80 PolarHBondContact O-N 3.5Å; E76-E80 VanDerWaalsContact O-N 3.11Å; E80-A83 WeakPolarHBondContact O-CB 3.44Å; E80-A83 PolarHBondContact O-N 3.19Å; E80-M84 PolarHBondContact O-N 3.42Å; E80-H269 IonicContact OE1-CD2 2.78Å; E80-W270 PolarHBondContact OE2-NE1 3.21Å |
| 81 | F | 84 | Confident | 83.1 | Confident | 19 Ų | 19 | 53.4 Ų | 53.4 | 8% | 0.083 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63 | -43.9 | 175.8 | -179.3 | -104.8 | 0 | 0 | 0 | 111.8 | T62 W65 T77 V79 A83 M84 L85 W270 | T62-F81 HydrophobicContact CG2-CZ 4.35Å; W65-F81 HydrophobicContact CB-CD2 3.89Å; W65-F81 HydrophobicContact CB-CE2 3.61Å; W65-F81 HydrophobicContact CB-CZ 4.11Å; W65-F81 AromaticContact CD1-CE1 3.72Å; W65-F81 AromaticContact CD1-CZ 3.68Å; W65-F81 HydrophobicContact CD2-CB 4.2Å; W65-F81 AromaticContact CD2-CD1 3.89Å; W65-F81 HydrophobicContact CD2-CD1 3.89Å; W65-F81 AromaticContact CD2-CD2 3.85Å; W65-F81 HydrophobicContact CD2-CD2 3.85Å; W65-F81 HydrophobicContact CD2-CE1 4.24Å; W65-F81 HydrophobicContact CD2-CE2 4.22Å; W65-F81 AromaticContact CD2-CG 3.69Å; W65-F81 HydrophobicContact CD2-CG 3.69Å; W65-F81 HydrophobicContact CD2-CZ 4.4Å; W65-F81 AromaticContact CE2-CD1 3.79Å; W65-F81 HydrophobicContact CE3-CB 3.81Å; W65-F81 HydrophobicContact CE3-CD1 4.38Å; W65-F81 HydrophobicContact CE3-CD2 4Å; W65-F81 AromaticContact CE3-CG 3.8Å; W65-F81 HydrophobicContact CE3-CG 3.8Å; W65-F81 HydrophobicContact CG-CD1 4.16Å; W65-F81 AromaticContact CG-CD2 3.79Å; W65-F81 HydrophobicContact CG-CD2 3.79Å; W65-F81 HydrophobicContact CG-CE1 4.03Å; W65-F81 AromaticContact CG-CE2 3.68Å; W65-F81 HydrophobicContact CG-CE2 3.68Å; W65-F81 HydrophobicContact CG-CG 4.05Å; W65-F81 AromaticContact CG-CZ 3.8Å; W65-F81 HydrophobicContact CG-CZ 3.8Å; W65-F81 HydrophobicContact CH2-CB 4.3Å; W65-F81 HydrophobicContact CZ2-CD1 4.24Å; W65-F81 HydrophobicContact CZ3-CB 3.86Å; W65-F81 HydrophobicContact CZ3-CG 4.27Å; W65-F81 AromaticContact NE1-CD1 3.91Å; W65-F81 AromaticContact NE1-CE1 3.75Å; T77-F81 WeakPolarHBondContact O-CB 3.29Å; T77-F81 PolarHBondContact O-N 3.41Å; V79-F81 VanDerWaalsContact C-N 3.34Å; V79-F81 PolarHBondContact O-N 3.48Å; F81-A83 VanDerWaalsContact C-N 3.32Å; F81-A83 PolarHBondContact O-N 2.81Å; F81-M84 HydrophobicContact CD2-CE 3.55Å; F81-M84 HydrophobicContact CE2-CE 3.42Å; F81-M84 VanDerWaalsContact CE2-CE 3.42Å; F81-M84 HydrophobicContact CZ-CE 4.46Å; F81-M84 WeakPolarHBondContact O-CB 3.36Å; F81-M84 PolarHBondContact O-N 2.99Å; F81-L85 HydrophobicContact CD1-CD1 4.13Å; F81-L85 HydrophobicContact CE1-CD1 3.57Å; F81-L85 HydrophobicContact CE1-CG 4.09Å; F81-L85 HydrophobicContact CZ-CD1 4.02Å; F81-L85 HydrophobicContact CZ-CD2 4.16Å; F81-L85 HydrophobicContact CZ-CG 4.16Å; F81-L85 WeakPolarHBondContact O-CG 3.28Å; F81-L85 PolarHBondContact O-N 3.2Å; F81-W270 HydrophobicContact CD2-CZ3 4.49Å |
| 82 | K | 86.6 | Confident | 84.2 | Confident | 105 Ų | 105 | 54.9 Ų | 54.9 | 46% | 0.457 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.2 | -41.2 | 174 | -74.3 | 171.5 | -178.5 | 173.9 | 0 | 111.9 | C78 V79 M84 L85 I86 W132 | C78-K82 VanDerWaalsContact O-CG 3.29Å; C78-K82 WeakPolarHBondContact O-CG 3.26Å; C78-K82 PolarHBondContact O-N 3.46Å; V79-K82 PolarHBondContact O-N 2.91Å; K82-M84 VanDerWaalsContact C-N 3.34Å; K82-M84 PolarHBondContact O-N 3.31Å; K82-L85 PolarHBondContact O-N 3.45Å; K82-I86 WeakPolarHBondContact O-CG1 3.37Å; K82-I86 PolarHBondContact O-N 2.97Å; K82-W132 HydrophobicContact CB-CH2 3.97Å; K82-W132 HydrophobicContact CB-CZ2 3.86Å; K82-W132 HydrophobicContact CD-CZ2 4.39Å |
| 83 | A | 84.3 | Confident | 85.2 | Confident | 7 Ų | 7 | 48.8 Ų | 48.8 | 6% | 0.058 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.2 | -42.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | V79 E80 F81 I86 A87 W132 | V79-A83 WeakPolarHBondContact O-CB 3.49Å; V79-A83 PolarHBondContact O-N 3.47Å; E80-A83 WeakPolarHBondContact O-CB 3.44Å; E80-A83 PolarHBondContact O-N 3.19Å; F81-A83 VanDerWaalsContact C-N 3.32Å; F81-A83 PolarHBondContact O-N 2.81Å; A83-I86 PolarHBondContact O-N 3.49Å; A83-A87 WeakPolarHBondContact O-CB 3.46Å; A83-A87 PolarHBondContact O-N 3.14Å; A83-W132 HydrophobicContact CB-CH2 3.82Å; A83-W132 HydrophobicContact CB-CZ3 3.85Å |
| 84 | M | 86.4 | Confident | 86.2 | Confident | 7 Ų | 7 | 45.3 Ų | 45.3 | 3% | 0.034 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.9 | -45.2 | 174 | -177 | -172.2 | 71.1 | 0 | 0 | 111.4 | A58 E80 F81 K82 A87 V88 W270 | A58-M84 HydrophobicContact CB-CG 4.46Å; A58-M84 HydrophobicContact CB-SD 4.42Å; E80-M84 PolarHBondContact O-N 3.42Å; F81-M84 HydrophobicContact CD2-CE 3.55Å; F81-M84 HydrophobicContact CE2-CE 3.42Å; F81-M84 VanDerWaalsContact CE2-CE 3.42Å; F81-M84 HydrophobicContact CZ-CE 4.46Å; F81-M84 WeakPolarHBondContact O-CB 3.36Å; F81-M84 PolarHBondContact O-N 2.99Å; K82-M84 VanDerWaalsContact C-N 3.34Å; K82-M84 PolarHBondContact O-N 3.31Å; M84-A87 PolarHBondContact O-N 3.25Å; M84-V88 HydrophobicContact CG-CG2 4.47Å; M84-V88 WeakPolarHBondContact O-CG2 3.17Å; M84-V88 PolarHBondContact O-N 3.33Å; M84-W270 HydrophobicContact SD-CB 3.95Å; M84-W270 HydrophobicContact SD-CE3 4.25Å |
| 85 | L | 88.9 | Confident | 87.1 | Confident | 82 Ų | 82 | 42.3 Ų | 42.3 | 43% | 0.429 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.3 | -43.2 | 177.7 | -68.2 | -179.4 | 0 | 0 | 0 | 112.6 | F81 K82 V88 G89 | F81-L85 HydrophobicContact CD1-CD1 4.13Å; F81-L85 HydrophobicContact CE1-CD1 3.57Å; F81-L85 HydrophobicContact CE1-CG 4.09Å; F81-L85 HydrophobicContact CZ-CD1 4.02Å; F81-L85 HydrophobicContact CZ-CD2 4.16Å; F81-L85 HydrophobicContact CZ-CG 4.16Å; F81-L85 WeakPolarHBondContact O-CG 3.28Å; F81-L85 PolarHBondContact O-N 3.2Å; K82-L85 PolarHBondContact O-N 3.45Å; L85-V88 PolarHBondContact O-N 2.97Å; L85-G89 PolarHBondContact O-N 2.87Å |
| 86 | I | 89.3 | Confident | 88.1 | Confident | 48 Ų | 48 | 44.1 Ų | 44.1 | 25% | 0.246 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.8 | -48.2 | 176.2 | -68.7 | 166.4 | 0 | 0 | 0 | 110.1 | K82 A83 V88 G89 L90 A129 W132 | K82-I86 WeakPolarHBondContact O-CG1 3.37Å; K82-I86 PolarHBondContact O-N 2.97Å; A83-I86 PolarHBondContact O-N 3.49Å; I86-V88 VanDerWaalsContact C-N 3.33Å; I86-V88 PolarHBondContact O-N 3.5Å; I86-G89 PolarHBondContact O-N 3.31Å; I86-L90 HydrophobicContact CG2-CD1 4.39Å; I86-L90 WeakPolarHBondContact O-CG 3.4Å; I86-L90 PolarHBondContact O-N 3.1Å; I86-A129 HydrophobicContact CG2-CB 3.59Å; I86-W132 HydrophobicContact CD1-CD2 4.08Å; I86-W132 HydrophobicContact CD1-CE3 3.58Å; I86-W132 HydrophobicContact CD1-CH2 4.32Å; I86-W132 HydrophobicContact CD1-CZ3 3.72Å |
| 87 | A | 87.8 | Confident | 88.9 | Confident | 18 Ų | 18 | 38.5 Ų | 38.5 | 15% | 0.149 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.4 | -45.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A83 M84 G89 L90 H91 | A83-A87 WeakPolarHBondContact O-CB 3.46Å; A83-A87 PolarHBondContact O-N 3.14Å; M84-A87 PolarHBondContact O-N 3.25Å; A87-G89 PolarHBondContact O-N 3.48Å; A87-L90 WeakPolarHBondContact O-CB 3.39Å; A87-L90 PolarHBondContact O-N 3.26Å; A87-H91 PolarHBondContact O-CD2 2.92Å; A87-H91 PolarHBondContact O-N 3.37Å |
| 88 | V | 90.8 | Very high | 89.8 | Confident | 26 Ų | 26 | 38.6 Ų | 38.6 | 16% | 0.158 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.7 | -41.3 | 179.4 | 174.1 | 0 | 0 | 0 | 0 | 111.5 | V54 A58 M84 L85 I86 L90 H91 V92 | V54-V88 HydrophobicContact CG1-CG2 4.13Å; A58-V88 HydrophobicContact CB-CB 4.21Å; A58-V88 HydrophobicContact CB-CG1 4.12Å; A58-V88 HydrophobicContact CB-CG2 3.16Å; M84-V88 HydrophobicContact CG-CG2 4.47Å; M84-V88 WeakPolarHBondContact O-CG2 3.17Å; M84-V88 PolarHBondContact O-N 3.33Å; L85-V88 PolarHBondContact O-N 2.97Å; I86-V88 VanDerWaalsContact C-N 3.33Å; I86-V88 PolarHBondContact O-N 3.5Å; V88-L90 VanDerWaalsContact C-N 3.31Å; V88-L90 PolarHBondContact O-N 3.2Å; V88-H91 PolarHBondContact O-N 2.83Å; V88-H91 VanDerWaalsContact O-N 3.15Å; V88-V92 HydrophobicContact CG1-CG2 4.36Å; V88-V92 WeakPolarHBondContact O-CG2 3.47Å; V88-V92 PolarHBondContact O-N 3.2Å |
| 89 | G | 91.9 | Very high | 90.4 | Very high | 35 Ų | 35 | 40 Ų | 40 | 36% | 0.361 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57 | -45.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L85 I86 A87 V92 L93 | L85-G89 PolarHBondContact O-N 2.87Å; I86-G89 PolarHBondContact O-N 3.31Å; A87-G89 PolarHBondContact O-N 3.48Å; G89-V92 PolarHBondContact O-N 3.01Å; G89-L93 PolarHBondContact O-N 3.34Å; G89-L93 VanDerWaalsContact O-N 3.1Å |
| 90 | L | 91.9 | Very high | 91 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.1 | -43.2 | 174.4 | -66.2 | 175.3 | 0 | 0 | 0 | 111.9 | I86 A87 V88 V92 L93 L94 V122 V125 S126 E143 | I86-L90 HydrophobicContact CG2-CD1 4.39Å; I86-L90 WeakPolarHBondContact O-CG 3.4Å; I86-L90 PolarHBondContact O-N 3.1Å; A87-L90 WeakPolarHBondContact O-CB 3.39Å; A87-L90 PolarHBondContact O-N 3.26Å; V88-L90 VanDerWaalsContact C-N 3.31Å; V88-L90 PolarHBondContact O-N 3.2Å; L90-V92 VanDerWaalsContact C-N 3.34Å; L90-V92 PolarHBondContact O-N 2.89Å; L90-L93 PolarHBondContact O-N 3.28Å; L90-L94 VanDerWaalsContact O-CG 3.3Å; L90-L94 WeakPolarHBondContact O-CG 3.23Å; L90-L94 PolarHBondContact O-N 3.16Å; L90-V122 HydrophobicContact CD2-CG1 4.19Å; L90-V125 HydrophobicContact CD2-CB 4.2Å; L90-V125 HydrophobicContact CD2-CG1 3.78Å; L90-S126 WeakPolarHBondContact CD2-OG 3.49Å; L90-E143 HydrophobicContact CD1-CG 3.62Å |
| 91 | H | 92.6 | Very high | 91.7 | Very high | 17 Ų | 17 | 38.3 Ų | 38.3 | 8% | 0.079 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.5 | -36.2 | 177.2 | -80.8 | -70.5 | 0 | 0 | 0 | 113.3 | W50 K51 V54 A87 V88 L94 L95 | W50-H91 AromaticContact CE2-CE1 3.87Å; W50-H91 AromaticContact CH2-CE1 3.96Å; W50-H91 AromaticContact CZ2-CE1 3.36Å; W50-H91 WeakPolarHBondContact CZ2-CE1 2.93Å; K51-H91 HydrophobicContact CD-CB 4.33Å; K51-H91 WeakPolarHBondContact CD-ND1 3.26Å; K51-H91 PolarHBondContact NZ-ND1 3.25Å; V54-H91 HydrophobicContact CG1-CB 4.15Å; A87-H91 PolarHBondContact O-CD2 2.92Å; A87-H91 PolarHBondContact O-N 3.37Å; V88-H91 PolarHBondContact O-N 2.83Å; V88-H91 VanDerWaalsContact O-N 3.15Å; H91-L94 PolarHBondContact O-N 2.86Å; H91-L95 WeakPolarHBondContact O-CB 3.31Å; H91-L95 PolarHBondContact O-N 3.08Å |
| 92 | V | 94.4 | Very high | 92.1 | Very high | 72 Ų | 72 | 37.4 Ų | 37.4 | 44% | 0.436 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.3 | -42.2 | 175.3 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | I55 V88 G89 L90 L95 M96 | I55-V92 HydrophobicContact CD1-CG2 4.42Å; I55-V92 HydrophobicContact CG1-CG2 4.47Å; V88-V92 HydrophobicContact CG1-CG2 4.36Å; V88-V92 WeakPolarHBondContact O-CG2 3.47Å; V88-V92 PolarHBondContact O-N 3.2Å; G89-V92 PolarHBondContact O-N 3.01Å; L90-V92 VanDerWaalsContact C-N 3.34Å; L90-V92 PolarHBondContact O-N 2.89Å; V92-L95 PolarHBondContact O-N 3.05Å; V92-M96 PolarHBondContact O-N 3.45Å |
| 93 | L | 94.7 | Very high | 92.5 | Very high | 39 Ų | 39 | 34 Ų | 34 | 20% | 0.204 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.3 | -39.3 | 174.8 | -70.7 | 170.8 | 0 | 0 | 0 | 112.1 | G89 L90 M96 F97 P118 V122 | G89-L93 PolarHBondContact O-N 3.34Å; G89-L93 VanDerWaalsContact O-N 3.1Å; L90-L93 PolarHBondContact O-N 3.28Å; L93-M96 HydrophobicContact CD2-CE 3.77Å; L93-M96 WeakPolarHBondContact O-CB 3.38Å; L93-M96 PolarHBondContact O-N 2.82Å; L93-F97 PolarHBondContact O-N 3.37Å; L93-P118 WeakPolarHBondContact O-CB 3.46Å; L93-V122 HydrophobicContact CB-CG2 3.36Å; L93-V122 HydrophobicContact CD1-CG2 3.77Å; L93-V122 HydrophobicContact CG-CG2 4.2Å |
| 94 | L | 94.1 | Very high | 92.9 | Very high | 19 Ų | 19 | 36.1 Ų | 36.1 | 10% | 0.099 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.8 | -41.2 | 173.1 | -70.9 | 173.5 | 0 | 0 | 0 | 111.7 | L90 H91 M96 F97 E98 L119 L142 | L90-L94 VanDerWaalsContact O-CG 3.3Å; L90-L94 WeakPolarHBondContact O-CG 3.23Å; L90-L94 PolarHBondContact O-N 3.16Å; H91-L94 PolarHBondContact O-N 2.86Å; L94-M96 VanDerWaalsContact C-N 3.32Å; L94-M96 PolarHBondContact O-N 2.95Å; L94-F97 WeakPolarHBondContact O-CB 3.26Å; L94-F97 PolarHBondContact O-N 3.4Å; L94-E98 VanDerWaalsContact O-CG 3.31Å; L94-E98 WeakPolarHBondContact O-CG 3.36Å; L94-E98 PolarHBondContact O-N 2.85Å; L94-L119 HydrophobicContact CD2-CD2 3.56Å; L94-L142 HydrophobicContact CD1-CD1 4.42Å; L94-L142 HydrophobicContact CD1-CD2 4.07Å |
| 95 | L | 95 | Very high | 93.2 | Very high | 46 Ų | 46 | 38.3 Ų | 38.3 | 24% | 0.241 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.9 | -41.5 | 174.5 | -179.7 | 64.7 | 0 | 0 | 0 | 111.3 | K51 I55 H91 V92 F97 E98 V99 | K51-L95 HydrophobicContact CB-CD1 4.23Å; K51-L95 HydrophobicContact CG-CB 4.43Å; K51-L95 HydrophobicContact CG-CD1 4.25Å; I55-L95 HydrophobicContact CD1-CD2 4.03Å; H91-L95 WeakPolarHBondContact O-CB 3.31Å; H91-L95 PolarHBondContact O-N 3.08Å; V92-L95 PolarHBondContact O-N 3.05Å; L95-F97 VanDerWaalsContact C-N 3.33Å; L95-F97 PolarHBondContact O-N 2.76Å; L95-E98 PolarHBondContact O-N 3.42Å; L95-V99 HydrophobicContact CD1-CG2 4.49Å; L95-V99 WeakPolarHBondContact O-CG2 3.31Å; L95-V99 PolarHBondContact O-N 2.92Å |
| 96 | M | 95.9 | Very high | 93.2 | Very high | 89 Ų | 89 | 38.1 Ų | 38.1 | 44% | 0.438 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.3 | -43.9 | 173.9 | -179.1 | 169.1 | 68.6 | 0 | 0 | 111.4 | V92 L93 L94 V99 L100 P118 | V92-M96 PolarHBondContact O-N 3.45Å; L93-M96 HydrophobicContact CD2-CE 3.77Å; L93-M96 WeakPolarHBondContact O-CB 3.38Å; L93-M96 PolarHBondContact O-N 2.82Å; L94-M96 VanDerWaalsContact C-N 3.32Å; L94-M96 PolarHBondContact O-N 2.95Å; M96-V99 PolarHBondContact O-N 3.49Å; M96-L100 HydrophobicContact CG-CD1 4.19Å; M96-L100 VanDerWaalsContact O-CG 3.28Å; M96-L100 WeakPolarHBondContact O-CG 3.41Å; M96-L100 PolarHBondContact O-N 3.29Å; M96-P118 HydrophobicContact CB-CB 4.43Å; M96-P118 HydrophobicContact CB-CG 4.3Å; M96-P118 HydrophobicContact CE-CB 3.53Å; M96-P118 HydrophobicContact CE-CG 3.55Å; M96-P118 HydrophobicContact CG-CB 4.42Å; M96-P118 HydrophobicContact CG-CG 3.86Å; M96-P118 HydrophobicContact SD-CG 4.38Å |
| 97 | F | 95.9 | Very high | 93.3 | Very high | 36 Ų | 36 | 41.3 Ų | 41.3 | 16% | 0.158 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.8 | -49.6 | 173.3 | 167.6 | -103.9 | 0 | 0 | 0 | 112 | L93 L94 L95 V99 L100 V101 V115 F116 P118 L119 | L93-F97 PolarHBondContact O-N 3.37Å; L94-F97 WeakPolarHBondContact O-CB 3.26Å; L94-F97 PolarHBondContact O-N 3.4Å; L95-F97 VanDerWaalsContact C-N 3.33Å; L95-F97 PolarHBondContact O-N 2.76Å; F97-V99 VanDerWaalsContact C-N 3.33Å; F97-V99 PolarHBondContact O-N 3.41Å; F97-L100 PolarHBondContact O-N 2.96Å; F97-L100 VanDerWaalsContact O-N 3.16Å; F97-V101 HydrophobicContact CD1-CG2 4.29Å; F97-V101 HydrophobicContact CD2-CG2 4Å; F97-V101 HydrophobicContact CE1-CG2 3.85Å; F97-V101 HydrophobicContact CE2-CG2 3.52Å; F97-V101 HydrophobicContact CG-CG2 4.36Å; F97-V101 HydrophobicContact CZ-CG2 3.44Å; F97-V101 VanDerWaalsContact CZ-CG2 3.44Å; F97-V101 WeakPolarHBondContact O-CG2 3.42Å; F97-V101 PolarHBondContact O-N 3.41Å; F97-V115 HydrophobicContact CD2-CG1 4.33Å; F97-V115 WeakPolarHBondContact CD2-O 3.34Å; F97-V115 HydrophobicContact CE2-CG1 4.16Å; F97-F116 HydrophobicContact CE2-CD1 4.03Å; F97-F116 AromaticContact CE2-CD2 3.96Å; F97-F116 HydrophobicContact CE2-CD2 3.96Å; F97-F116 HydrophobicContact CE2-CE1 4Å; F97-F116 AromaticContact CE2-CE2 3.95Å; F97-F116 HydrophobicContact CE2-CE2 3.95Å; F97-F116 HydrophobicContact CE2-CG 4Å; F97-F116 AromaticContact CE2-CZ 3.95Å; F97-F116 HydrophobicContact CE2-CZ 3.95Å; F97-F116 HydrophobicContact CZ-CE1 4.18Å; F97-F116 HydrophobicContact CZ-CE2 4.37Å; F97-F116 HydrophobicContact CZ-CZ 4.04Å; F97-P118 HydrophobicContact CB-CB 4.03Å; F97-P118 HydrophobicContact CB-CG 4.1Å; F97-L119 HydrophobicContact CB-CD2 4.31Å; F97-L119 HydrophobicContact CB-CG 4.2Å; F97-L119 HydrophobicContact CD1-CD1 4.06Å; F97-L119 HydrophobicContact CD1-CD2 4.25Å; F97-L119 HydrophobicContact CD1-CG 4.23Å; F97-L119 HydrophobicContact CD2-CD1 3.6Å; F97-L119 HydrophobicContact CD2-CD2 4.48Å; F97-L119 HydrophobicContact CD2-CG 3.65Å; F97-L119 HydrophobicContact CE1-CD1 3.9Å; F97-L119 HydrophobicContact CE2-CD1 3.42Å; F97-L119 VanDerWaalsContact CE2-CD1 3.42Å; F97-L119 HydrophobicContact CE2-CG 4.04Å; F97-L119 HydrophobicContact CG-CD1 3.92Å; F97-L119 HydrophobicContact CG-CD2 4.09Å; F97-L119 HydrophobicContact CG-CG 3.76Å; F97-L119 HydrophobicContact CZ-CD1 3.58Å; F97-L119 HydrophobicContact CZ-CG 4.47Å |
| 98 | E | 94.9 | Very high | 93.1 | Very high | 17 Ų | 17 | 42.6 Ų | 42.6 | 8% | 0.079 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.2 | -42.3 | -179.2 | -70 | 162.3 | -161.7 | 0 | 0 | 112.3 | F44 I47 K51 L94 L95 V101 C102 | F44-E98 HydrophobicContact CD1-CB 4.26Å; F44-E98 HydrophobicContact CD1-CG 4.43Å; F44-E98 HydrophobicContact CE1-CB 4.31Å; F44-E98 HydrophobicContact CE1-CG 4.32Å; I47-E98 VanDerWaalsContact CG2-OE1 3.23Å; I47-E98 WeakPolarHBondContact CG2-OE1 3.34Å; I47-E98 VanDerWaalsContact CG2-OE2 3.26Å; I47-E98 WeakPolarHBondContact CG2-OE2 3.49Å; K51-E98 WeakPolarHBondContact CE-OE1 3.35Å; K51-E98 IonicContact NZ-OE1 2.66Å; L94-E98 VanDerWaalsContact O-CG 3.31Å; L94-E98 WeakPolarHBondContact O-CG 3.36Å; L94-E98 PolarHBondContact O-N 2.85Å; L95-E98 PolarHBondContact O-N 3.42Å; E98-V101 PolarHBondContact O-N 3.41Å; E98-C102 PolarHBondContact O-N 3.3Å; E98-C102 PolarHBondContact O-SG 3.46Å |
| 99 | V | 95 | Very high | 92.6 | Very high | 59 Ų | 59 | 49.3 Ų | 49.3 | 36% | 0.358 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.2 | -45.3 | 175.8 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | W41 L95 M96 F97 V101 C102 D103 | W41-V99 HydrophobicContact CH2-CG1 4.13Å; W41-V99 HydrophobicContact CZ3-CG1 4.48Å; L95-V99 HydrophobicContact CD1-CG2 4.49Å; L95-V99 WeakPolarHBondContact O-CG2 3.31Å; L95-V99 PolarHBondContact O-N 2.92Å; M96-V99 PolarHBondContact O-N 3.49Å; F97-V99 VanDerWaalsContact C-N 3.33Å; F97-V99 PolarHBondContact O-N 3.41Å; V99-V101 VanDerWaalsContact C-N 3.32Å; V99-V101 PolarHBondContact O-N 3.04Å; V99-C102 PolarHBondContact O-N 3.17Å; V99-D103 PolarHBondContact O-N 3Å |
| 100 | L | 95.4 | Very high | 92.5 | Very high | 45 Ų | 45 | 49.9 Ų | 49.9 | 24% | 0.236 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.2 | -34.5 | 177.7 | -70.7 | 173.3 | 0 | 0 | 0 | 112.4 | M96 F97 R104 Y110 V115 P118 | M96-L100 HydrophobicContact CG-CD1 4.19Å; M96-L100 VanDerWaalsContact O-CG 3.28Å; M96-L100 WeakPolarHBondContact O-CG 3.41Å; M96-L100 PolarHBondContact O-N 3.29Å; F97-L100 PolarHBondContact O-N 2.96Å; F97-L100 VanDerWaalsContact O-N 3.16Å; L100-R104 WeakPolarHBondContact O-CB 3.36Å; L100-R104 PolarHBondContact O-N 3.37Å; L100-Y110 HydrophobicContact CD2-CE2 4.43Å; L100-Y110 PolarHBondContact O-OH 3.12Å; L100-V115 HydrophobicContact CB-CB 4.46Å; L100-V115 HydrophobicContact CB-CG1 4Å; L100-P118 HydrophobicContact CD1-CG 3.78Å |
| 101 | V | 95.3 | Very high | 92.6 | Very high | 18 Ų | 18 | 57.1 Ų | 57.1 | 11% | 0.109 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.2 | -49 | 173.7 | 170.5 | 0 | 0 | 0 | 0 | 110.1 | F44 F97 E98 V99 D103 R104 V105 V115 | F44-V101 HydrophobicContact CZ-CG1 3.99Å; F97-V101 HydrophobicContact CD1-CG2 4.29Å; F97-V101 HydrophobicContact CD2-CG2 4Å; F97-V101 HydrophobicContact CE1-CG2 3.85Å; F97-V101 HydrophobicContact CE2-CG2 3.52Å; F97-V101 HydrophobicContact CG-CG2 4.36Å; F97-V101 HydrophobicContact CZ-CG2 3.44Å; F97-V101 VanDerWaalsContact CZ-CG2 3.44Å; F97-V101 WeakPolarHBondContact O-CG2 3.42Å; F97-V101 PolarHBondContact O-N 3.41Å; E98-V101 PolarHBondContact O-N 3.41Å; V99-V101 VanDerWaalsContact C-N 3.32Å; V99-V101 PolarHBondContact O-N 3.04Å; V101-D103 PolarHBondContact O-N 3.1Å; V101-R104 PolarHBondContact O-N 2.88Å; V101-V105 HydrophobicContact CG1-CG2 4.14Å; V101-V105 WeakPolarHBondContact O-CB 3.35Å; V101-V105 WeakPolarHBondContact O-CG2 3.15Å; V101-V105 PolarHBondContact O-N 2.89Å; V101-V115 HydrophobicContact CB-CG1 4.28Å; V101-V115 HydrophobicContact CG2-CG1 3.46Å; V101-V115 VanDerWaalsContact CG2-CG1 3.46Å |
| 102 | C | 93.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.8 | -48.9 | 179.7 | -68.3 | 0 | 0 | 0 | 0 | 111.5 | W41 F44 E98 V99 R104 V105 E106 | W41-C102 HydrophobicContact CD2-CB 4.2Å; W41-C102 HydrophobicContact CE3-CB 4.47Å; W41-C102 HydrophobicContact CH2-CB 4.32Å; W41-C102 HydrophobicContact CZ2-CB 4.09Å; F44-C102 VanDerWaalsContact CD2-SG 3.58Å; F44-C102 VanDerWaalsContact CG-SG 3.52Å; E98-C102 PolarHBondContact O-N 3.3Å; E98-C102 PolarHBondContact O-SG 3.46Å; V99-C102 PolarHBondContact O-N 3.17Å; C102-R104 VanDerWaalsContact C-N 3.35Å; C102-R104 PolarHBondContact O-N 3.4Å; C102-V105 PolarHBondContact O-N 3.39Å; C102-E106 PolarHBondContact O-N 2.91Å; C102-E106 VanDerWaalsContact O-N 3.13Å |
| 103 | D | 94.1 | Very high | 92.7 | Very high | 33 Ų | 33 | 58.7 Ų | 58.7 | 18% | 0.176 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.3 | -40.1 | 180 | -169.9 | 79.5 | 0 | 0 | 0 | 111.9 | W41 V99 V101 E106 K107 Y110 | W41-D103 HydrophobicContact CZ2-CB 4.26Å; V99-D103 PolarHBondContact O-N 3Å; V101-D103 PolarHBondContact O-N 3.1Å; D103-E106 PolarHBondContact O-N 2.95Å; D103-K107 WeakPolarHBondContact O-CB 3.48Å; D103-K107 PolarHBondContact O-N 3.2Å; D103-K107 VanDerWaalsContact OD1-CD 3.3Å; D103-K107 WeakPolarHBondContact OD1-CD 3.14Å; D103-K107 WeakPolarHBondContact OD1-CE 3.47Å; D103-K107 IonicContact OD1-NZ 3.96Å; D103-K107 PolarHBondContact OD1-NZ 3.13Å; D103-Y110 WeakPolarHBondContact CB-OH 3.24Å; D103-Y110 WeakPolarHBondContact OD2-CE1 3.32Å; D103-Y110 PolarHBondContact OD2-OH 3.43Å |
| 104 | R | 93.9 | Very high | 92.7 | Very high | 51 Ų | 51 | 61.1 Ų | 61.1 | 19% | 0.192 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.5 | -47.7 | 176.4 | 172.3 | 61.1 | -176.7 | 161 | 11.3 | 112.1 | L100 V101 C102 E106 G108 Y110 W112 V115 | L100-R104 WeakPolarHBondContact O-CB 3.36Å; L100-R104 PolarHBondContact O-N 3.37Å; V101-R104 PolarHBondContact O-N 2.88Å; C102-R104 VanDerWaalsContact C-N 3.35Å; C102-R104 PolarHBondContact O-N 3.4Å; R104-E106 VanDerWaalsContact C-N 3.26Å; R104-E106 PolarHBondContact O-N 3.21Å; R104-G108 VanDerWaalsContact NH1-CA 3.33Å; R104-G108 PolarHBondContact NH1-O 3.13Å; R104-G108 VanDerWaalsContact O-CA 3.3Å; R104-G108 WeakPolarHBondContact O-CA 3.49Å; R104-G108 PolarHBondContact O-N 3.29Å; R104-Y110 HydrophobicContact CB-CE2 4Å; R104-Y110 WeakPolarHBondContact CD-O 3.47Å; R104-Y110 PolarHBondContact N-OH 3.38Å; R104-Y110 PolarHBondContact NE-O 3.41Å; R104-Y110 VanDerWaalsContact NH1-N 3.15Å; R104-Y110 PolarHBondContact NH1-O 2.64Å; R104-W112 HydrophobicContact CG-CD2 4.19Å; R104-W112 HydrophobicContact CG-CE3 4.21Å; R104-W112 HydrophobicContact CG-CH2 4.04Å; R104-W112 HydrophobicContact CG-CZ2 3.99Å; R104-W112 HydrophobicContact CG-CZ3 4.14Å; R104-V115 HydrophobicContact CB-CG2 3.7Å; R104-V115 HydrophobicContact CG-CG2 3.83Å |
| 105 | V | 92.4 | Very high | 92.7 | Very high | 53 Ų | 53 | 60.2 Ų | 60.2 | 32% | 0.321 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.6 | -33.6 | -176 | 174 | 0 | 0 | 0 | 0 | 110.8 | Y40 V101 C102 W112 | Y40-V105 HydrophobicContact CD1-CG1 3.95Å; Y40-V105 HydrophobicContact CD2-CB 4.36Å; Y40-V105 HydrophobicContact CD2-CG1 3.43Å; Y40-V105 VanDerWaalsContact CD2-CG1 3.43Å; Y40-V105 HydrophobicContact CE1-CG1 3.8Å; Y40-V105 HydrophobicContact CE2-CG1 3.26Å; Y40-V105 HydrophobicContact CG-CB 4.44Å; Y40-V105 HydrophobicContact CG-CG1 3.77Å; Y40-V105 VanDerWaalsContact CZ-CG1 3.44Å; V101-V105 HydrophobicContact CG1-CG2 4.14Å; V101-V105 WeakPolarHBondContact O-CB 3.35Å; V101-V105 WeakPolarHBondContact O-CG2 3.15Å; V101-V105 PolarHBondContact O-N 2.89Å; C102-V105 PolarHBondContact O-N 3.39Å; V105-W112 HydrophobicContact CG2-CH2 3.72Å; V105-W112 HydrophobicContact CG2-CZ2 4.44Å |
| 106 | E | 89.2 | Confident | 92.8 | Very high | 78 Ų | 78 | 58.6 Ų | 58.6 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -83.5 | -40.7 | 178.5 | -71.3 | -170.7 | 171.9 | 0 | 0 | 114.4 | S39 Y40 W41 C102 D103 R104 | S39-E106 WeakPolarHBondContact CB-OE1 3.22Å; Y40-E106 HydrophobicContact CD2-CG 4.12Å; Y40-E106 PolarHBondContact N-OE1 3.25Å; W41-E106 VanDerWaalsContact NE1-CD 3.3Å; W41-E106 PolarHBondContact NE1-OE2 3.31Å; C102-E106 PolarHBondContact O-N 2.91Å; C102-E106 VanDerWaalsContact O-N 3.13Å; D103-E106 PolarHBondContact O-N 2.95Å; R104-E106 VanDerWaalsContact C-N 3.26Å; R104-E106 PolarHBondContact O-N 3.21Å |
| 107 | K | 89.6 | Confident | 92.7 | Very high | 115 Ų | 115 | 58.9 Ų | 58.9 | 50% | 0.5 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -103.4 | -23.9 | -171 | -61.9 | 179.9 | -172.8 | 157.8 | 0 | 114 | D103 K109 | D103-K107 WeakPolarHBondContact O-CB 3.48Å; D103-K107 PolarHBondContact O-N 3.2Å; D103-K107 VanDerWaalsContact OD1-CD 3.3Å; D103-K107 WeakPolarHBondContact OD1-CD 3.14Å; D103-K107 WeakPolarHBondContact OD1-CE 3.47Å; D103-K107 IonicContact OD1-NZ 3.96Å; D103-K107 PolarHBondContact OD1-NZ 3.13Å; K107-K109 VanDerWaalsContact C-N 3.34Å; K107-K109 HydrophobicContact CB-CD 4.36Å; K107-K109 HydrophobicContact CB-CG 4.14Å; K107-K109 WeakPolarHBondContact O-CG 3.3Å; K107-K109 PolarHBondContact O-N 3.21Å |
| 108 | G | 83.9 | Confident | 92.8 | Very high | 45 Ų | 45 | 57.2 Ų | 57.2 | 46% | 0.464 | 28% | 0.284 | S | S | . | . | trans | 63.8 | 28.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | R104 | R104-G108 VanDerWaalsContact NH1-CA 3.33Å; R104-G108 PolarHBondContact NH1-O 3.13Å; R104-G108 VanDerWaalsContact O-CA 3.3Å; R104-G108 WeakPolarHBondContact O-CA 3.49Å; R104-G108 PolarHBondContact O-N 3.29Å | ||
| 109 | K | 81.5 | Confident | 92.7 | Very high | 168 Ų | 168 | 56.7 Ų | 56.7 | 73% | 0.73 | 28% | 0.282 | S | S | * | . | trans | -90.5 | -29.9 | -169.5 | -65.4 | -173.9 | 179.5 | -177.2 | 0 | 117.4 | K107 | K107-K109 VanDerWaalsContact C-N 3.34Å; K107-K109 HydrophobicContact CB-CD 4.36Å; K107-K109 HydrophobicContact CB-CG 4.14Å; K107-K109 WeakPolarHBondContact O-CG 3.3Å; K107-K109 PolarHBondContact O-N 3.21Å | ||
| 110 | Y | 89.3 | Confident | 92.7 | Very high | 47 Ų | 47 | 56.3 Ų | 56.3 | 18% | 0.184 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -132.4 | 163.8 | -172 | 49.7 | -90.5 | 0 | 0 | 0 | 113.8 | L100 D103 R104 L114 V115 | L100-Y110 HydrophobicContact CD2-CE2 4.43Å; L100-Y110 PolarHBondContact O-OH 3.12Å; D103-Y110 WeakPolarHBondContact CB-OH 3.24Å; D103-Y110 WeakPolarHBondContact OD2-CE1 3.32Å; D103-Y110 PolarHBondContact OD2-OH 3.43Å; R104-Y110 HydrophobicContact CB-CE2 4Å; R104-Y110 WeakPolarHBondContact CD-O 3.47Å; R104-Y110 PolarHBondContact N-OH 3.38Å; R104-Y110 PolarHBondContact NE-O 3.41Å; R104-Y110 VanDerWaalsContact NH1-N 3.15Å; R104-Y110 PolarHBondContact NH1-O 2.64Å; Y110-L114 HydrophobicContact CD2-CB 4.35Å; Y110-L114 HydrophobicContact CD2-CD2 3.59Å; Y110-L114 HydrophobicContact CE2-CD2 4.17Å; Y110-L114 HydrophobicContact CG-CD2 3.98Å; Y110-V115 HydrophobicContact CD2-CG2 3.84Å; Y110-V115 HydrophobicContact CE2-CG2 3.38Å |
| 111 | F | 93.1 | Very high | 92.6 | Very high | 152 Ų | 152 | 59.7 Ų | 59.7 | 67% | 0.667 | 29% | 0.288 | S | S | * | . | trans | -63.6 | 147.6 | -177.1 | -63.5 | -73.9 | 0 | 0 | 0 | 113.6 | L113 L114 V115 | F111-L113 PolarHBondContact O-N 2.86Å; F111-L114 WeakPolarHBondContact O-CB 3.34Å; F111-L114 PolarHBondContact O-N 3.23Å; F111-L114 VanDerWaalsContact O-N 3.16Å; F111-V115 PolarHBondContact O-N 3.04Å | ||
| 112 | W | 95.7 | Very high | 92.6 | Very high | 40 Ų | 40 | 58.8 Ų | 58.8 | 15% | 0.152 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.2 | -30.1 | 173.2 | -72.2 | 102 | 0 | 0 | 0 | 112.3 | R104 V105 L114 V115 F116 L160 D161 | R104-W112 HydrophobicContact CG-CD2 4.19Å; R104-W112 HydrophobicContact CG-CE3 4.21Å; R104-W112 HydrophobicContact CG-CH2 4.04Å; R104-W112 HydrophobicContact CG-CZ2 3.99Å; R104-W112 HydrophobicContact CG-CZ3 4.14Å; V105-W112 HydrophobicContact CG2-CH2 3.72Å; V105-W112 HydrophobicContact CG2-CZ2 4.44Å; W112-L114 PolarHBondContact O-N 2.75Å; W112-V115 HydrophobicContact CE3-CB 4.12Å; W112-V115 HydrophobicContact CE3-CG1 4.1Å; W112-V115 HydrophobicContact CE3-CG2 4.05Å; W112-V115 HydrophobicContact CZ3-CG1 4.28Å; W112-V115 WeakPolarHBondContact O-CA 3.25Å; W112-V115 WeakPolarHBondContact O-CB 3.43Å; W112-V115 PolarHBondContact O-N 3.03Å; W112-F116 HydrophobicContact CE3-CD2 4.37Å; W112-F116 AromaticContact CE3-CE2 3.94Å; W112-F116 HydrophobicContact CE3-CE2 3.94Å; W112-F116 HydrophobicContact CZ3-CE2 4.49Å; W112-F116 VanDerWaalsContact O-CD2 3.31Å; W112-F116 WeakPolarHBondContact O-CD2 3.18Å; W112-F116 PolarHBondContact O-N 3.13Å; W112-L160 HydrophobicContact CB-CB 3.91Å; W112-L160 VanDerWaalsContact CD1-C 3.46Å; W112-L160 VanDerWaalsContact CD1-CB 3.42Å; W112-L160 HydrophobicContact CD2-CB 3.84Å; W112-L160 HydrophobicContact CD2-CD1 3.74Å; W112-L160 HydrophobicContact CD2-CG 4.37Å; W112-L160 HydrophobicContact CE3-CD1 3.76Å; W112-L160 HydrophobicContact CG-CB 3.46Å; W112-L160 VanDerWaalsContact CG-CB 3.46Å; W112-L160 HydrophobicContact CG-CD1 4.16Å; W112-L160 HydrophobicContact CG-CG 4.44Å; W112-L160 HydrophobicContact CH2-CD1 4.42Å; W112-L160 HydrophobicContact CZ2-CD1 4.43Å; W112-L160 HydrophobicContact CZ3-CD1 4.11Å; W112-D161 WeakPolarHBondContact CB-OD1 3.4Å; W112-D161 VanDerWaalsContact CD1-OD1 3.3Å; W112-D161 VanDerWaalsContact N-CG 3.28Å; W112-D161 PolarHBondContact N-OD1 3.43Å; W112-D161 PolarHBondContact N-OD2 3.37Å; W112-D161 VanDerWaalsContact N-OD2 3.08Å |
| 113 | L | 94.1 | Very high | 92.5 | Very high | 82 Ų | 82 | 58.9 Ų | 58.9 | 43% | 0.429 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.8 | -35.2 | 173.4 | -162.5 | 141.4 | 0 | 0 | 0 | 112.6 | F111 M117 F120 L158 D161 | F111-L113 PolarHBondContact O-N 2.86Å; L113-M117 PolarHBondContact O-N 2.9Å; L113-F120 HydrophobicContact CD2-CE2 4.46Å; L113-F120 HydrophobicContact CG-CE2 4.17Å; L113-L158 HydrophobicContact CD1-CD2 3.94Å; L113-D161 PolarHBondContact N-OD2 3.31Å |
| 114 | L | 93.9 | Very high | 92.4 | Very high | 90 Ų | 90 | 60.8 Ų | 60.8 | 47% | 0.471 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -70.2 | -42.9 | 172.3 | -170.5 | 95.2 | 0 | 0 | 0 | 111.2 | Y110 F111 W112 F116 M117 | Y110-L114 HydrophobicContact CD2-CB 4.35Å; Y110-L114 HydrophobicContact CD2-CD2 3.59Å; Y110-L114 HydrophobicContact CE2-CD2 4.17Å; Y110-L114 HydrophobicContact CG-CD2 3.98Å; F111-L114 WeakPolarHBondContact O-CB 3.34Å; F111-L114 PolarHBondContact O-N 3.23Å; F111-L114 VanDerWaalsContact O-N 3.16Å; W112-L114 PolarHBondContact O-N 2.75Å; L114-F116 PolarHBondContact O-N 3.3Å; L114-M117 WeakPolarHBondContact O-CB 3.48Å; L114-M117 PolarHBondContact O-N 3.01Å; L114-M117 VanDerWaalsContact O-N 3.14Å |
| 115 | V | 95.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.6 | -42 | 177 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | F97 L100 V101 R104 Y110 F111 W112 M117 P118 | F97-V115 HydrophobicContact CD2-CG1 4.33Å; F97-V115 WeakPolarHBondContact CD2-O 3.34Å; F97-V115 HydrophobicContact CE2-CG1 4.16Å; L100-V115 HydrophobicContact CB-CB 4.46Å; L100-V115 HydrophobicContact CB-CG1 4Å; V101-V115 HydrophobicContact CB-CG1 4.28Å; V101-V115 HydrophobicContact CG2-CG1 3.46Å; V101-V115 VanDerWaalsContact CG2-CG1 3.46Å; R104-V115 HydrophobicContact CB-CG2 3.7Å; R104-V115 HydrophobicContact CG-CG2 3.83Å; Y110-V115 HydrophobicContact CD2-CG2 3.84Å; Y110-V115 HydrophobicContact CE2-CG2 3.38Å; F111-V115 PolarHBondContact O-N 3.04Å; W112-V115 HydrophobicContact CE3-CB 4.12Å; W112-V115 HydrophobicContact CE3-CG1 4.1Å; W112-V115 HydrophobicContact CE3-CG2 4.05Å; W112-V115 HydrophobicContact CZ3-CG1 4.28Å; W112-V115 WeakPolarHBondContact O-CA 3.25Å; W112-V115 WeakPolarHBondContact O-CB 3.43Å; W112-V115 PolarHBondContact O-N 3.03Å; V115-M117 VanDerWaalsContact C-N 3.34Å; V115-P118 WeakPolarHBondContact O-CD 3.32Å |
| 116 | F | 96.2 | Very high | 92.4 | Very high | 13 Ų | 13 | 59 Ų | 59 | 6% | 0.057 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -6.2 | -178.1 | -83.9 | -105.3 | 0 | 0 | 0 | 114 | F97 W112 L114 P118 L119 F120 F153 I156 A157 L160 | F97-F116 HydrophobicContact CE2-CD1 4.03Å; F97-F116 AromaticContact CE2-CD2 3.96Å; F97-F116 HydrophobicContact CE2-CD2 3.96Å; F97-F116 HydrophobicContact CE2-CE1 4Å; F97-F116 AromaticContact CE2-CE2 3.95Å; F97-F116 HydrophobicContact CE2-CE2 3.95Å; F97-F116 HydrophobicContact CE2-CG 4Å; F97-F116 AromaticContact CE2-CZ 3.95Å; F97-F116 HydrophobicContact CE2-CZ 3.95Å; F97-F116 HydrophobicContact CZ-CE1 4.18Å; F97-F116 HydrophobicContact CZ-CE2 4.37Å; F97-F116 HydrophobicContact CZ-CZ 4.04Å; W112-F116 HydrophobicContact CE3-CD2 4.37Å; W112-F116 AromaticContact CE3-CE2 3.94Å; W112-F116 HydrophobicContact CE3-CE2 3.94Å; W112-F116 HydrophobicContact CZ3-CE2 4.49Å; W112-F116 VanDerWaalsContact O-CD2 3.31Å; W112-F116 WeakPolarHBondContact O-CD2 3.18Å; W112-F116 PolarHBondContact O-N 3.13Å; L114-F116 PolarHBondContact O-N 3.3Å; F116-P118 VanDerWaalsContact C-N 3.33Å; F116-L119 HydrophobicContact CD1-CD1 3.69Å; F116-L119 HydrophobicContact CE1-CD1 3.86Å; F116-L119 WeakPolarHBondContact O-CA 3.47Å; F116-L119 WeakPolarHBondContact O-CB 3.48Å; F116-L119 PolarHBondContact O-N 3.33Å; F116-F120 HydrophobicContact CB-CE1 4.03Å; F116-F120 HydrophobicContact CB-CE2 4.14Å; F116-F120 HydrophobicContact CB-CZ 3.68Å; F116-F120 PolarHBondContact O-N 2.9Å; F116-F120 VanDerWaalsContact O-N 3.13Å; F116-F153 HydrophobicContact CD1-CB 4.15Å; F116-F153 WeakPolarHBondContact CD1-O 3.3Å; F116-I156 HydrophobicContact CE1-CB 4.2Å; F116-I156 HydrophobicContact CE1-CG2 3.97Å; F116-I156 HydrophobicContact CE2-CG2 4.23Å; F116-I156 HydrophobicContact CZ-CB 4.19Å; F116-I156 HydrophobicContact CZ-CG2 3.46Å; F116-I156 VanDerWaalsContact CZ-CG2 3.46Å; F116-A157 HydrophobicContact CB-CB 3.81Å; F116-A157 HydrophobicContact CD1-CB 4.19Å; F116-A157 HydrophobicContact CD2-CB 3.89Å; F116-A157 HydrophobicContact CG-CB 3.69Å; F116-L160 HydrophobicContact CE2-CD1 3.96Å; F116-L160 HydrophobicContact CZ-CD1 4.31Å |
| 117 | M | 94.8 | Very high | 92.5 | Very high | 94 Ų | 94 | 58.8 Ų | 58.8 | 46% | 0.463 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -48.8 | -44.7 | 176.9 | -173.3 | -171.3 | -171.5 | 0 | 0 | 113.7 | L113 L114 V115 L119 F120 F121 | L113-M117 PolarHBondContact O-N 2.9Å; L114-M117 WeakPolarHBondContact O-CB 3.48Å; L114-M117 PolarHBondContact O-N 3.01Å; L114-M117 VanDerWaalsContact O-N 3.14Å; V115-M117 VanDerWaalsContact C-N 3.34Å; M117-L119 VanDerWaalsContact C-N 3.28Å; M117-L119 PolarHBondContact O-N 2.99Å; M117-F120 WeakPolarHBondContact O-CB 3.39Å; M117-F120 PolarHBondContact O-N 2.92Å; M117-F121 HydrophobicContact CE-CE2 3.6Å; M117-F121 HydrophobicContact CE-CZ 4.13Å; M117-F121 HydrophobicContact CG-CD2 4.17Å; M117-F121 HydrophobicContact CG-CE2 3.74Å; M117-F121 VanDerWaalsContact O-CD2 3.23Å; M117-F121 WeakPolarHBondContact O-CD2 3.43Å; M117-F121 PolarHBondContact O-N 2.8Å; M117-F121 HydrophobicContact SD-CE2 4.38Å |
| 118 | P | 96.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.3 | -38.8 | 176.5 | -17.3 | 29.2 | 0 | 0 | 0 | 112.6 | L93 M96 F97 L100 V115 F116 F120 F121 V122 | L93-P118 WeakPolarHBondContact O-CB 3.46Å; M96-P118 HydrophobicContact CB-CB 4.43Å; M96-P118 HydrophobicContact CB-CG 4.3Å; M96-P118 HydrophobicContact CE-CB 3.53Å; M96-P118 HydrophobicContact CE-CG 3.55Å; M96-P118 HydrophobicContact CG-CB 4.42Å; M96-P118 HydrophobicContact CG-CG 3.86Å; M96-P118 HydrophobicContact SD-CG 4.38Å; F97-P118 HydrophobicContact CB-CB 4.03Å; F97-P118 HydrophobicContact CB-CG 4.1Å; L100-P118 HydrophobicContact CD1-CG 3.78Å; V115-P118 WeakPolarHBondContact O-CD 3.32Å; F116-P118 VanDerWaalsContact C-N 3.33Å; P118-F120 VanDerWaalsContact C-N 3.34Å; P118-F120 PolarHBondContact O-N 2.87Å; P118-F121 PolarHBondContact O-N 3.39Å; P118-V122 WeakPolarHBondContact O-CG2 3.42Å; P118-V122 PolarHBondContact O-N 3.32Å |
| 119 | L | 94.6 | Very high | 92.9 | Very high | 7 Ų | 7 | 54.3 Ų | 54.3 | 4% | 0.037 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.4 | -34.9 | 178.6 | -66.4 | -177.7 | 0 | 0 | 0 | 112.1 | L94 F97 F116 M117 F121 V122 S123 F153 | L94-L119 HydrophobicContact CD2-CD2 3.56Å; F97-L119 HydrophobicContact CB-CD2 4.31Å; F97-L119 HydrophobicContact CB-CG 4.2Å; F97-L119 HydrophobicContact CD1-CD1 4.06Å; F97-L119 HydrophobicContact CD1-CD2 4.25Å; F97-L119 HydrophobicContact CD1-CG 4.23Å; F97-L119 HydrophobicContact CD2-CD1 3.6Å; F97-L119 HydrophobicContact CD2-CD2 4.48Å; F97-L119 HydrophobicContact CD2-CG 3.65Å; F97-L119 HydrophobicContact CE1-CD1 3.9Å; F97-L119 HydrophobicContact CE2-CD1 3.42Å; F97-L119 VanDerWaalsContact CE2-CD1 3.42Å; F97-L119 HydrophobicContact CE2-CG 4.04Å; F97-L119 HydrophobicContact CG-CD1 3.92Å; F97-L119 HydrophobicContact CG-CD2 4.09Å; F97-L119 HydrophobicContact CG-CG 3.76Å; F97-L119 HydrophobicContact CZ-CD1 3.58Å; F97-L119 HydrophobicContact CZ-CG 4.47Å; F116-L119 HydrophobicContact CD1-CD1 3.69Å; F116-L119 HydrophobicContact CE1-CD1 3.86Å; F116-L119 WeakPolarHBondContact O-CA 3.47Å; F116-L119 WeakPolarHBondContact O-CB 3.48Å; F116-L119 PolarHBondContact O-N 3.33Å; M117-L119 VanDerWaalsContact C-N 3.28Å; M117-L119 PolarHBondContact O-N 2.99Å; L119-F121 PolarHBondContact O-N 2.68Å; L119-V122 PolarHBondContact O-N 3.27Å; L119-S123 PolarHBondContact O-N 3.48Å; L119-S123 VanDerWaalsContact O-N 3.09Å; L119-S123 PolarHBondContact O-OG 3.49Å; L119-F153 HydrophobicContact CB-CB 4.4Å; L119-F153 HydrophobicContact CB-CD2 3.96Å; L119-F153 HydrophobicContact CB-CE2 4.45Å; L119-F153 HydrophobicContact CB-CG 4.16Å; L119-F153 HydrophobicContact CD1-CD1 3.97Å; L119-F153 HydrophobicContact CD1-CE1 4.28Å; L119-F153 HydrophobicContact CD1-CG 4.11Å |
| 120 | F | 93.8 | Very high | 93.3 | Very high | 51 Ų | 51 | 46.9 Ų | 46.9 | 22% | 0.224 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.5 | -27.6 | 174.1 | -55.6 | -28.7 | 0 | 0 | 0 | 112.8 | L113 F116 M117 P118 P124 F153 I154 A157 | L113-F120 HydrophobicContact CD2-CE2 4.46Å; L113-F120 HydrophobicContact CG-CE2 4.17Å; F116-F120 HydrophobicContact CB-CE1 4.03Å; F116-F120 HydrophobicContact CB-CE2 4.14Å; F116-F120 HydrophobicContact CB-CZ 3.68Å; F116-F120 PolarHBondContact O-N 2.9Å; F116-F120 VanDerWaalsContact O-N 3.13Å; M117-F120 WeakPolarHBondContact O-CB 3.39Å; M117-F120 PolarHBondContact O-N 2.92Å; P118-F120 VanDerWaalsContact C-N 3.34Å; P118-F120 PolarHBondContact O-N 2.87Å; F120-P124 WeakPolarHBondContact O-CD 3.39Å; F120-P124 WeakPolarHBondContact O-CG 3.45Å; F120-F153 HydrophobicContact CD1-CB 4.47Å; F120-F153 HydrophobicContact CE1-CB 4.2Å; F120-I154 HydrophobicContact CD1-CG1 4.02Å; F120-I154 HydrophobicContact CE1-CB 4.35Å; F120-I154 HydrophobicContact CE1-CG1 3.6Å; F120-I154 HydrophobicContact CZ-CG1 4.29Å; F120-A157 HydrophobicContact CZ-CB 4.05Å |
| 121 | F | 94 | Very high | 93.4 | Very high | 115 Ų | 115 | 48.6 Ų | 48.6 | 50% | 0.504 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -82.6 | -36.2 | 170.6 | -73.6 | -73.5 | 0 | 0 | 0 | 112.8 | M117 P118 L119 S123 P124 V125 | M117-F121 HydrophobicContact CE-CE2 3.6Å; M117-F121 HydrophobicContact CE-CZ 4.13Å; M117-F121 HydrophobicContact CG-CD2 4.17Å; M117-F121 HydrophobicContact CG-CE2 3.74Å; M117-F121 VanDerWaalsContact O-CD2 3.23Å; M117-F121 WeakPolarHBondContact O-CD2 3.43Å; M117-F121 PolarHBondContact O-N 2.8Å; M117-F121 HydrophobicContact SD-CE2 4.38Å; P118-F121 PolarHBondContact O-N 3.39Å; L119-F121 PolarHBondContact O-N 2.68Å; F121-S123 VanDerWaalsContact C-N 3.29Å; F121-S123 PolarHBondContact O-N 2.98Å; F121-P124 WeakPolarHBondContact O-CD 3.17Å; F121-V125 WeakPolarHBondContact O-CB 3.49Å; F121-V125 WeakPolarHBondContact O-CG2 3.42Å; F121-V125 PolarHBondContact O-N 2.93Å |
| 122 | V | 93.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.2 | -42.4 | 177.1 | 161.3 | 0 | 0 | 0 | 0 | 111 | L90 L93 P118 L119 V125 S126 C146 | L90-V122 HydrophobicContact CD2-CG1 4.19Å; L93-V122 HydrophobicContact CB-CG2 3.36Å; L93-V122 HydrophobicContact CD1-CG2 3.77Å; L93-V122 HydrophobicContact CG-CG2 4.2Å; P118-V122 WeakPolarHBondContact O-CG2 3.42Å; P118-V122 PolarHBondContact O-N 3.32Å; L119-V122 PolarHBondContact O-N 3.27Å; V122-V125 PolarHBondContact O-N 3.16Å; V122-S126 WeakPolarHBondContact O-CB 3.47Å; V122-S126 PolarHBondContact O-N 3.47Å; V122-S126 PolarHBondContact O-OG 3.29Å; V122-C146 HydrophobicContact CG1-CB 3.66Å; V122-C146 VanDerWaalsContact CG1-SG 3.58Å |
| 123 | S | 92.6 | Very high | 92.7 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.014 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63 | -53.5 | -177 | -65.7 | 0 | 0 | 0 | 0 | 113.9 | L119 F121 V125 S126 V127 C146 | L119-S123 PolarHBondContact O-N 3.48Å; L119-S123 VanDerWaalsContact O-N 3.09Å; L119-S123 PolarHBondContact O-OG 3.49Å; F121-S123 VanDerWaalsContact C-N 3.29Å; F121-S123 PolarHBondContact O-N 2.98Å; S123-V125 PolarHBondContact O-N 3.3Å; S123-S126 WeakPolarHBondContact O-CB 3.42Å; S123-S126 PolarHBondContact O-N 3.17Å; S123-V127 WeakPolarHBondContact O-CG2 3.48Å; S123-V127 PolarHBondContact O-N 2.84Å; S123-C146 WeakPolarHBondContact CB-O 3.1Å; S123-C146 PolarHBondContact OG-O 3.13Å |
| 124 | P | 92.4 | Very high | 92.3 | Very high | 73 Ų | 73 | 45.6 Ų | 45.6 | 47% | 0.474 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.1 | -40 | 175 | -24.4 | 33.7 | 0 | 0 | 0 | 113.9 | F120 F121 S126 V127 A128 | F120-P124 WeakPolarHBondContact O-CD 3.39Å; F120-P124 WeakPolarHBondContact O-CG 3.45Å; F121-P124 WeakPolarHBondContact O-CD 3.17Å; P124-S126 VanDerWaalsContact C-N 3.26Å; P124-S126 PolarHBondContact O-N 2.81Å; P124-V127 PolarHBondContact O-N 3.47Å; P124-A128 PolarHBondContact O-N 2.82Å |
| 125 | V | 93.1 | Very high | 92 | Very high | 67 Ų | 67 | 51.2 Ų | 51.2 | 41% | 0.406 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 175.8 | 174.6 | 0 | 0 | 0 | 0 | 110.3 | L90 F121 V122 S123 A128 A129 | L90-V125 HydrophobicContact CD2-CB 4.2Å; L90-V125 HydrophobicContact CD2-CG1 3.78Å; F121-V125 WeakPolarHBondContact O-CB 3.49Å; F121-V125 WeakPolarHBondContact O-CG2 3.42Å; F121-V125 PolarHBondContact O-N 2.93Å; V122-V125 PolarHBondContact O-N 3.16Å; S123-V125 PolarHBondContact O-N 3.3Å; V125-A128 PolarHBondContact O-N 3.35Å; V125-A129 WeakPolarHBondContact O-CB 3.38Å; V125-A129 PolarHBondContact O-N 3.49Å |
| 126 | S | 92.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.4 | -37.5 | 176.4 | -58.8 | 0 | 0 | 0 | 0 | 112.1 | L90 V122 S123 P124 A128 A129 C130 E143 C146 S147 | L90-S126 WeakPolarHBondContact CD2-OG 3.49Å; V122-S126 WeakPolarHBondContact O-CB 3.47Å; V122-S126 PolarHBondContact O-N 3.47Å; V122-S126 PolarHBondContact O-OG 3.29Å; S123-S126 WeakPolarHBondContact O-CB 3.42Å; S123-S126 PolarHBondContact O-N 3.17Å; P124-S126 VanDerWaalsContact C-N 3.26Å; P124-S126 PolarHBondContact O-N 2.81Å; S126-A128 PolarHBondContact O-N 3.33Å; S126-A129 CarbonylContact O-C 3.4Å; S126-A129 WeakPolarHBondContact O-CB 3.28Å; S126-A129 PolarHBondContact O-N 2.99Å; S126-C130 WeakPolarHBondContact O-CB 3.37Å; S126-C130 PolarHBondContact O-N 3.26Å; S126-C130 PolarHBondContact O-SG 2.87Å; S126-E143 VanDerWaalsContact CB-O 3.3Å; S126-E143 WeakPolarHBondContact CB-O 3.44Å; S126-C146 VanDerWaalsContact OG-CB 3.31Å; S126-C146 WeakPolarHBondContact OG-CB 3.39Å; S126-S147 VanDerWaalsContact C-OG 3.23Å; S126-S147 VanDerWaalsContact CB-OG 3.3Å; S126-S147 WeakPolarHBondContact CB-OG 3.48Å; S126-S147 PolarHBondContact O-OG 3.15Å |
| 127 | V | 92.8 | Very high | 90.3 | Very high | 73 Ų | 73 | 62.2 Ų | 62.2 | 44% | 0.442 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.2 | -46.7 | 173.6 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | S123 P124 A129 C130 V131 S147 | S123-V127 WeakPolarHBondContact O-CG2 3.48Å; S123-V127 PolarHBondContact O-N 2.84Å; P124-V127 PolarHBondContact O-N 3.47Å; V127-A129 VanDerWaalsContact C-N 3.32Å; V127-A129 PolarHBondContact O-N 3.43Å; V127-C130 PolarHBondContact O-N 3.02Å; V127-V131 WeakPolarHBondContact O-CG2 3.47Å; V127-V131 PolarHBondContact O-N 2.94Å; V127-S147 PolarHBondContact N-OG 3.26Å |
| 128 | A | 91.8 | Very high | 89.4 | Confident | 62 Ų | 62 | 60.9 Ų | 60.9 | 51% | 0.512 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | P124 V125 S126 C130 V131 W132 | P124-A128 PolarHBondContact O-N 2.82Å; V125-A128 PolarHBondContact O-N 3.35Å; S126-A128 PolarHBondContact O-N 3.33Å; A128-C130 VanDerWaalsContact C-N 3.34Å; A128-C130 PolarHBondContact O-N 2.97Å; A128-V131 PolarHBondContact O-N 3.29Å; A128-W132 WeakPolarHBondContact O-CB 3.45Å; A128-W132 PolarHBondContact O-N 3.37Å |
| 129 | A | 89.8 | Confident | 88.1 | Confident | 4 Ų | 4 | 65.4 Ų | 65.4 | 3% | 0.033 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63 | -37.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I86 V125 S126 V127 W132 G133 E143 | I86-A129 HydrophobicContact CG2-CB 3.59Å; V125-A129 WeakPolarHBondContact O-CB 3.38Å; V125-A129 PolarHBondContact O-N 3.49Å; S126-A129 CarbonylContact O-C 3.4Å; S126-A129 WeakPolarHBondContact O-CB 3.28Å; S126-A129 PolarHBondContact O-N 2.99Å; V127-A129 VanDerWaalsContact C-N 3.32Å; V127-A129 PolarHBondContact O-N 3.43Å; A129-W132 PolarHBondContact O-N 2.84Å; A129-G133 PolarHBondContact O-N 2.93Å; A129-E143 HydrophobicContact CB-CB 4.45Å; A129-E143 HydrophobicContact CB-CG 3.96Å |
| 130 | C | 90 | Very high | 87 | Confident | 11 Ų | 11 | 66 Ų | 66 | 7% | 0.074 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.4 | -48.6 | 175.4 | -74.3 | 0 | 0 | 0 | 0 | 111.6 | S126 V127 A128 W132 G133 F134 L140 | S126-C130 WeakPolarHBondContact O-CB 3.37Å; S126-C130 PolarHBondContact O-N 3.26Å; S126-C130 PolarHBondContact O-SG 2.87Å; V127-C130 PolarHBondContact O-N 3.02Å; A128-C130 VanDerWaalsContact C-N 3.34Å; A128-C130 PolarHBondContact O-N 2.97Å; C130-W132 VanDerWaalsContact C-N 3.28Å; C130-W132 PolarHBondContact O-N 3.38Å; C130-G133 PolarHBondContact O-N 3.18Å; C130-F134 HydrophobicContact CB-CE2 4.39Å; C130-F134 WeakPolarHBondContact O-CD2 3.25Å; C130-F134 PolarHBondContact O-N 2.88Å; C130-L140 HydrophobicContact CB-CD1 4.23Å; C130-L140 WeakPolarHBondContact O-CD1 3.29Å |
| 131 | V | 90.3 | Very high | 86.4 | Confident | 84 Ų | 84 | 68.2 Ų | 68.2 | 51% | 0.509 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.3 | -42.5 | 177.2 | 173.8 | 0 | 0 | 0 | 0 | 111 | V127 A128 R135 | V127-V131 WeakPolarHBondContact O-CG2 3.47Å; V127-V131 PolarHBondContact O-N 2.94Å; A128-V131 PolarHBondContact O-N 3.29Å; V131-R135 PolarHBondContact O-N 3.4Å |
| 132 | W | 89.8 | Confident | 85.9 | Confident | 57 Ų | 57 | 65.1 Ų | 65.1 | 22% | 0.216 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.3 | -44.8 | 175.8 | 177.4 | 79.3 | 0 | 0 | 0 | 112 | V79 K82 A83 I86 A128 A129 C130 R135 H136 | V79-W132 HydrophobicContact CG1-CH2 3.91Å; V79-W132 HydrophobicContact CG1-CZ2 3.89Å; V79-W132 WeakPolarHBondContact O-CH2 3.44Å; K82-W132 HydrophobicContact CB-CH2 3.97Å; K82-W132 HydrophobicContact CB-CZ2 3.86Å; K82-W132 HydrophobicContact CD-CZ2 4.39Å; A83-W132 HydrophobicContact CB-CH2 3.82Å; A83-W132 HydrophobicContact CB-CZ3 3.85Å; I86-W132 HydrophobicContact CD1-CD2 4.08Å; I86-W132 HydrophobicContact CD1-CE3 3.58Å; I86-W132 HydrophobicContact CD1-CH2 4.32Å; I86-W132 HydrophobicContact CD1-CZ3 3.72Å; A128-W132 WeakPolarHBondContact O-CB 3.45Å; A128-W132 PolarHBondContact O-N 3.37Å; A129-W132 PolarHBondContact O-N 2.84Å; C130-W132 VanDerWaalsContact C-N 3.28Å; C130-W132 PolarHBondContact O-N 3.38Å; W132-R135 PolarHBondContact O-N 2.95Å; W132-H136 AromaticContact CD1-CE1 3.54Å; W132-H136 AromaticContact CD1-ND1 3.82Å; W132-H136 AromaticContact CE2-CE1 3.84Å; W132-H136 AromaticContact CE2-ND1 3.79Å; W132-H136 AromaticContact NE1-CE1 3.2Å; W132-H136 PolarHBondContact NE1-CE1 3.44Å; W132-H136 AromaticContact NE1-ND1 3.57Å; W132-H136 AromaticContact NE1-NE2 3.92Å; W132-H136 PolarHBondContact O-N 3.14Å; W132-H136 PolarHBondContact O-ND1 3.37Å |
| 133 | G | 84.7 | Confident | 85.6 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.4 | -37 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | A129 C130 R135 H136 D137 R138 | A129-G133 PolarHBondContact O-N 2.93Å; C130-G133 PolarHBondContact O-N 3.18Å; G133-R135 VanDerWaalsContact C-N 3.28Å; G133-R135 PolarHBondContact O-N 3.3Å; G133-H136 CarbonylContact O-C 3.54Å; G133-H136 PolarHBondContact O-N 3.4Å; G133-D137 PolarHBondContact O-N 2.97Å; G133-D137 VanDerWaalsContact O-N 3.08Å; G133-R138 PolarHBondContact O-N 3.42Å |
| 134 | F | 85.1 | Confident | 85.4 | Confident | 153 Ų | 153 | 68 Ų | 68 | 67% | 0.671 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.6 | -35.6 | 173.2 | -80.9 | -57.8 | 0 | 0 | 0 | 112.6 | C130 H136 L140 | C130-F134 HydrophobicContact CB-CE2 4.39Å; C130-F134 WeakPolarHBondContact O-CD2 3.25Å; C130-F134 PolarHBondContact O-N 2.88Å; F134-H136 PolarHBondContact O-N 2.86Å; F134-L140 HydrophobicContact CD2-CD1 4.33Å; F134-L140 HydrophobicContact CE2-CD1 4.44Å; F134-L140 HydrophobicContact CG-CD1 4.43Å |
| 135 | R | 87.3 | Confident | 85.1 | Confident | 208 Ų | 208 | 68.7 Ų | 68.7 | 79% | 0.785 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -68.4 | -19.3 | 175.5 | -74 | -169.3 | -179.7 | -152.4 | 1.7 | 113.7 | V131 W132 G133 | V131-R135 PolarHBondContact O-N 3.4Å; W132-R135 PolarHBondContact O-N 2.95Å; G133-R135 VanDerWaalsContact C-N 3.28Å; G133-R135 PolarHBondContact O-N 3.3Å |
| 136 | H | 82.6 | Confident | 84.9 | Confident | 82 Ų | 82 | 65.9 Ų | 65.9 | 38% | 0.38 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | 19.4 | -176.1 | -59 | 84.1 | 0 | 0 | 0 | 112.3 | V79 W132 G133 F134 R138 | V79-H136 HydrophobicContact CG1-CB 3.82Å; W132-H136 AromaticContact CD1-CE1 3.54Å; W132-H136 AromaticContact CD1-ND1 3.82Å; W132-H136 AromaticContact CE2-CE1 3.84Å; W132-H136 AromaticContact CE2-ND1 3.79Å; W132-H136 AromaticContact NE1-CE1 3.2Å; W132-H136 PolarHBondContact NE1-CE1 3.44Å; W132-H136 AromaticContact NE1-ND1 3.57Å; W132-H136 AromaticContact NE1-NE2 3.92Å; W132-H136 PolarHBondContact O-N 3.14Å; W132-H136 PolarHBondContact O-ND1 3.37Å; G133-H136 CarbonylContact O-C 3.54Å; G133-H136 PolarHBondContact O-N 3.4Å; F134-H136 PolarHBondContact O-N 2.86Å; H136-R138 VanDerWaalsContact C-N 3.26Å; H136-R138 PolarHBondContact O-N 3.15Å |
| 137 | D | 75.2 | Confident | 84.8 | Confident | 162 Ų | 162 | 66.8 Ų | 66.8 | 87% | 0.866 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 38.9 | 177.4 | -157.4 | 24 | 0 | 0 | 0 | 114.6 | G133 | G133-D137 PolarHBondContact O-N 2.97Å; G133-D137 VanDerWaalsContact O-N 3.08Å |
| 138 | R | 75.3 | Confident | 84.7 | Confident | 67 Ų | 67 | 67 Ų | 67 | 25% | 0.253 | 35% | 0.346 | S | S | . | . | trans | -89.6 | 140.1 | -178.1 | -167.8 | -164.3 | 173.2 | -155.8 | -3.8 | 111.3 | G133 H136 L140 E143 | G133-R138 PolarHBondContact O-N 3.42Å; H136-R138 VanDerWaalsContact C-N 3.26Å; H136-R138 PolarHBondContact O-N 3.15Å; R138-L140 PolarHBondContact O-N 3.3Å; R138-E143 IonicContact CZ-OE1 3.96Å; R138-E143 IonicContact NH1-OE1 2.68Å; R138-E143 PolarHBondContact NH1-OE1 3.1Å; R138-E143 IonicContact NH2-OE1 3.43Å | ||
| 139 | S | 69.5 | Low | 84.6 | Confident | 95 Ų | 95 | 64.7 Ų | 64.7 | 66% | 0.664 | 33% | 0.325 | S | S | * | . | trans | -64.4 | 115.1 | 164.6 | 62 | 0 | 0 | 0 | 0 | 111 | ||||
| 140 | L | 71.6 | Confident | 84.7 | Confident | 21 Ų | 21 | 67.5 Ų | 67.5 | 11% | 0.11 | 34% | 0.339 | C | S | . | . | trans | -115.2 | 100.3 | -179.7 | -65 | 158.2 | 0 | 0 | 0 | 108.9 | C130 F134 R138 E143 V144 | C130-L140 HydrophobicContact CB-CD1 4.23Å; C130-L140 WeakPolarHBondContact O-CD1 3.29Å; F134-L140 HydrophobicContact CD2-CD1 4.33Å; F134-L140 HydrophobicContact CE2-CD1 4.44Å; F134-L140 HydrophobicContact CG-CD1 4.43Å; R138-L140 PolarHBondContact O-N 3.3Å; L140-E143 HydrophobicContact CD2-CB 4.14Å; L140-E143 HydrophobicContact CD2-CG 4.07Å; L140-V144 HydrophobicContact CB-CG2 3.9Å; L140-V144 WeakPolarHBondContact O-CG2 3.5Å | ||
| 141 | E | 80.4 | Confident | 84.9 | Confident | 97 Ų | 97 | 71.5 Ų | 71.5 | 45% | 0.453 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -102.6 | -62.7 | -179.5 | -67.6 | -176.3 | 179 | 0 | 0 | 110.7 | K14 E143 V144 L145 | K14-E141 WeakPolarHBondContact CE-OE1 3.38Å; K14-E141 VanDerWaalsContact CE-OE2 3.28Å; K14-E141 WeakPolarHBondContact CE-OE2 3.37Å; K14-E141 IonicContact NZ-OE1 2.76Å; K14-E141 PolarHBondContact NZ-OE1 3.25Å; K14-E141 IonicContact NZ-OE2 2.72Å; K14-E141 PolarHBondContact NZ-OE2 2.96Å; E141-E143 PolarHBondContact O-N 3.45Å; E141-V144 PolarHBondContact O-N 3.3Å; E141-L145 WeakPolarHBondContact O-CG 3.41Å; E141-L145 PolarHBondContact O-N 2.72Å |
| 142 | L | 83.6 | Confident | 85 | Confident | 49 Ų | 49 | 67.7 Ų | 67.7 | 26% | 0.257 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.1 | -41 | -179 | -178.8 | 64.8 | 0 | 0 | 0 | 111.7 | L94 V144 L145 C146 | L94-L142 HydrophobicContact CD1-CD1 4.42Å; L94-L142 HydrophobicContact CD1-CD2 4.07Å; L142-V144 VanDerWaalsContact C-N 3.33Å; L142-V144 PolarHBondContact O-N 2.76Å; L142-L145 PolarHBondContact O-N 2.96Å; L142-C146 WeakPolarHBondContact O-CB 3.34Å; L142-C146 PolarHBondContact O-N 3.06Å; L142-C146 PolarHBondContact O-SG 3.33Å |
| 143 | E | 88.4 | Confident | 85.2 | Confident | 9 Ų | 9 | 66.6 Ų | 66.6 | 4% | 0.042 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.1 | -43.7 | -179.5 | -60.2 | 93.1 | 156.5 | 0 | 0 | 111 | L90 S126 A129 R138 L140 E141 C146 S147 | L90-E143 HydrophobicContact CD1-CG 3.62Å; S126-E143 VanDerWaalsContact CB-O 3.3Å; S126-E143 WeakPolarHBondContact CB-O 3.44Å; A129-E143 HydrophobicContact CB-CB 4.45Å; A129-E143 HydrophobicContact CB-CG 3.96Å; R138-E143 IonicContact CZ-OE1 3.96Å; R138-E143 IonicContact NH1-OE1 2.68Å; R138-E143 PolarHBondContact NH1-OE1 3.1Å; R138-E143 IonicContact NH2-OE1 3.43Å; L140-E143 HydrophobicContact CD2-CB 4.14Å; L140-E143 HydrophobicContact CD2-CG 4.07Å; E141-E143 PolarHBondContact O-N 3.45Å; E143-C146 PolarHBondContact O-N 2.91Å; E143-S147 WeakPolarHBondContact O-CB 3.35Å; E143-S147 PolarHBondContact O-N 2.94Å; E143-S147 PolarHBondContact O-OG 2.72Å |
| 144 | V | 87.9 | Confident | 85.7 | Confident | 55 Ų | 55 | 69.4 Ų | 69.4 | 33% | 0.333 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.8 | -46.8 | 178.2 | 174.7 | 0 | 0 | 0 | 0 | 110.3 | L140 E141 L142 C146 S147 V148 | L140-V144 HydrophobicContact CB-CG2 3.9Å; L140-V144 WeakPolarHBondContact O-CG2 3.5Å; E141-V144 PolarHBondContact O-N 3.3Å; L142-V144 VanDerWaalsContact C-N 3.33Å; L142-V144 PolarHBondContact O-N 2.76Å; V144-C146 VanDerWaalsContact C-N 3.33Å; V144-C146 PolarHBondContact O-N 3.23Å; V144-S147 WeakPolarHBondContact O-CB 3.36Å; V144-S147 PolarHBondContact O-N 2.88Å; V144-S147 VanDerWaalsContact O-N 3.15Å; V144-V148 HydrophobicContact CG1-CG1 4.36Å; V144-V148 WeakPolarHBondContact O-CG1 3.46Å; V144-V148 WeakPolarHBondContact O-CG2 3.47Å; V144-V148 PolarHBondContact O-N 2.92Å |
| 145 | L | 86.9 | Confident | 86.2 | Confident | 86 Ų | 86 | 64.4 Ų | 64.4 | 45% | 0.45 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59 | -42.6 | 178.3 | -70.5 | 173.3 | 0 | 0 | 0 | 112.4 | E141 L142 N149 L178 | E141-L145 WeakPolarHBondContact O-CG 3.41Å; E141-L145 PolarHBondContact O-N 2.72Å; L142-L145 PolarHBondContact O-N 2.96Å; L145-N149 WeakPolarHBondContact O-CB 3.4Å; L145-N149 PolarHBondContact O-N 3.33Å; L145-N149 PolarHBondContact O-ND2 2.92Å; L145-L178 HydrophobicContact CD2-CD2 4.22Å |
| 146 | C | 87.6 | Confident | 86.6 | Confident | 8 Ų | 8 | 56.4 Ų | 56.4 | 5% | 0.054 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.2 | -33.9 | 177.3 | -75.7 | 0 | 0 | 0 | 0 | 113 | V122 S123 S126 L142 E143 V144 | V122-C146 HydrophobicContact CG1-CB 3.66Å; V122-C146 VanDerWaalsContact CG1-SG 3.58Å; S123-C146 WeakPolarHBondContact CB-O 3.1Å; S123-C146 PolarHBondContact OG-O 3.13Å; S126-C146 VanDerWaalsContact OG-CB 3.31Å; S126-C146 WeakPolarHBondContact OG-CB 3.39Å; L142-C146 WeakPolarHBondContact O-CB 3.34Å; L142-C146 PolarHBondContact O-N 3.06Å; L142-C146 PolarHBondContact O-SG 3.33Å; E143-C146 PolarHBondContact O-N 2.91Å; V144-C146 VanDerWaalsContact C-N 3.33Å; V144-C146 PolarHBondContact O-N 3.23Å |
| 147 | S | 90 | Very high | 87.2 | Confident | 20 Ų | 20 | 52.5 Ų | 52.5 | 14% | 0.14 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68 | -48.7 | 179.7 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | S126 V127 E143 V144 N149 | S126-S147 VanDerWaalsContact C-OG 3.23Å; S126-S147 VanDerWaalsContact CB-OG 3.3Å; S126-S147 WeakPolarHBondContact CB-OG 3.48Å; S126-S147 PolarHBondContact O-OG 3.15Å; V127-S147 PolarHBondContact N-OG 3.26Å; E143-S147 WeakPolarHBondContact O-CB 3.35Å; E143-S147 PolarHBondContact O-N 2.94Å; E143-S147 PolarHBondContact O-OG 2.72Å; V144-S147 WeakPolarHBondContact O-CB 3.36Å; V144-S147 PolarHBondContact O-N 2.88Å; V144-S147 VanDerWaalsContact O-N 3.15Å; S147-N149 VanDerWaalsContact C-N 3.32Å; S147-N149 PolarHBondContact O-N 3.37Å |
| 148 | V | 90.3 | Very high | 88.2 | Confident | 76 Ų | 76 | 46.5 Ų | 46.5 | 46% | 0.461 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -73 | -24.4 | -174.9 | -59.1 | 0 | 0 | 0 | 0 | 113 | V144 | V144-V148 HydrophobicContact CG1-CG1 4.36Å; V144-V148 WeakPolarHBondContact O-CG1 3.46Å; V144-V148 WeakPolarHBondContact O-CG2 3.47Å; V144-V148 PolarHBondContact O-N 2.92Å |
| 149 | N | 90.7 | Very high | 89.1 | Confident | 15 Ų | 15 | 45.7 Ų | 45.7 | 8% | 0.08 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 14.8 | -174.2 | -73.1 | -53.9 | 0 | 0 | 0 | 114.8 | L145 S147 L151 Q152 F153 | L145-N149 WeakPolarHBondContact O-CB 3.4Å; L145-N149 PolarHBondContact O-N 3.33Å; L145-N149 PolarHBondContact O-ND2 2.92Å; S147-N149 VanDerWaalsContact C-N 3.32Å; S147-N149 PolarHBondContact O-N 3.37Å; N149-L151 VanDerWaalsContact C-N 3.29Å; N149-L151 PolarHBondContact O-N 3.06Å; N149-Q152 HydrophobicContact CB-CB 4.18Å; N149-Q152 VanDerWaalsContact O-CB 3.29Å; N149-Q152 WeakPolarHBondContact O-CB 3.31Å; N149-Q152 PolarHBondContact O-N 3.29Å; N149-F153 HydrophobicContact CB-CE1 4.12Å; N149-F153 HydrophobicContact CB-CE2 4.2Å; N149-F153 HydrophobicContact CB-CZ 3.83Å; N149-F153 WeakPolarHBondContact O-CD2 3.31Å; N149-F153 WeakPolarHBondContact O-CG 3.47Å; N149-F153 PolarHBondContact O-N 3.48Å |
| 150 | I | 92.3 | Very high | 90.3 | Very high | 63 Ų | 63 | 43.8 Ų | 43.8 | 32% | 0.323 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -55.6 | -43.4 | 179.4 | -168.8 | 172 | 0 | 0 | 0 | 112.6 | Q152 F153 I154 | I150-Q152 VanDerWaalsContact C-N 3.32Å; I150-Q152 PolarHBondContact O-N 3.32Å; I150-F153 PolarHBondContact O-N 3.08Å; I150-I154 HydrophobicContact CG1-CD1 4.27Å; I150-I154 WeakPolarHBondContact O-CG1 3.27Å; I150-I154 PolarHBondContact O-N 3.08Å |
| 151 | L | 92.6 | Very high | 91.4 | Very high | 94 Ų | 94 | 44.1 Ų | 44.1 | 49% | 0.492 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.3 | -37.8 | 177.8 | -70.2 | 176.8 | 0 | 0 | 0 | 111.6 | N149 F153 I154 F155 P174 | N149-L151 VanDerWaalsContact C-N 3.29Å; N149-L151 PolarHBondContact O-N 3.06Å; L151-F153 VanDerWaalsContact C-N 3.34Å; L151-F153 PolarHBondContact O-N 3.29Å; L151-I154 PolarHBondContact O-N 3.46Å; L151-F155 HydrophobicContact CB-CE2 4.4Å; L151-F155 VanDerWaalsContact O-CG 3.32Å; L151-F155 WeakPolarHBondContact O-CG 3.36Å; L151-F155 PolarHBondContact O-N 3.28Å; L151-P174 HydrophobicContact CB-CB 4.48Å; L151-P174 HydrophobicContact CB-CG 3.79Å |
| 152 | Q | 94 | Very high | 92 | Very high | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.019 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.6 | -46.1 | 177.3 | -170.6 | 60.8 | 51.1 | 0 | 0 | 110.8 | N149 I150 I154 F155 I156 V171 P174 L175 | N149-Q152 HydrophobicContact CB-CB 4.18Å; N149-Q152 VanDerWaalsContact O-CB 3.29Å; N149-Q152 WeakPolarHBondContact O-CB 3.31Å; N149-Q152 PolarHBondContact O-N 3.29Å; I150-Q152 VanDerWaalsContact C-N 3.32Å; I150-Q152 PolarHBondContact O-N 3.32Å; Q152-I154 VanDerWaalsContact C-N 3.32Å; Q152-I154 PolarHBondContact O-N 3.46Å; Q152-F155 PolarHBondContact O-N 2.99Å; Q152-I156 HydrophobicContact CG-CD1 3.79Å; Q152-I156 HydrophobicContact CG-CG1 4.44Å; Q152-I156 WeakPolarHBondContact O-CB 3.45Å; Q152-I156 VanDerWaalsContact O-CG1 3.24Å; Q152-I156 WeakPolarHBondContact O-CG1 3.15Å; Q152-I156 PolarHBondContact O-N 3.49Å; Q152-V171 PolarHBondContact NE2-O 2.98Å; Q152-V171 PolarHBondContact OE1-O 3.19Å; Q152-P174 HydrophobicContact CB-CB 4.04Å; Q152-P174 HydrophobicContact CB-CG 4.3Å; Q152-L175 HydrophobicContact CG-CD1 3.88Å; Q152-L175 HydrophobicContact CG-CG 3.84Å |
| 153 | F | 94.1 | Very high | 92.6 | Very high | 34 Ų | 34 | 50.4 Ų | 50.4 | 15% | 0.149 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 179 | -57.5 | -31.3 | 0 | 0 | 0 | 111.7 | F116 L119 F120 N149 I150 L151 A157 | F116-F153 HydrophobicContact CD1-CB 4.15Å; F116-F153 WeakPolarHBondContact CD1-O 3.3Å; L119-F153 HydrophobicContact CB-CB 4.4Å; L119-F153 HydrophobicContact CB-CD2 3.96Å; L119-F153 HydrophobicContact CB-CE2 4.45Å; L119-F153 HydrophobicContact CB-CG 4.16Å; L119-F153 HydrophobicContact CD1-CD1 3.97Å; L119-F153 HydrophobicContact CD1-CE1 4.28Å; L119-F153 HydrophobicContact CD1-CG 4.11Å; F120-F153 HydrophobicContact CD1-CB 4.47Å; F120-F153 HydrophobicContact CE1-CB 4.2Å; N149-F153 HydrophobicContact CB-CE1 4.12Å; N149-F153 HydrophobicContact CB-CE2 4.2Å; N149-F153 HydrophobicContact CB-CZ 3.83Å; N149-F153 WeakPolarHBondContact O-CD2 3.31Å; N149-F153 WeakPolarHBondContact O-CG 3.47Å; N149-F153 PolarHBondContact O-N 3.48Å; I150-F153 PolarHBondContact O-N 3.08Å; L151-F153 VanDerWaalsContact C-N 3.34Å; L151-F153 PolarHBondContact O-N 3.29Å; F153-A157 WeakPolarHBondContact O-CB 3.4Å; F153-A157 PolarHBondContact O-N 3.45Å; F153-A157 VanDerWaalsContact O-N 3.08Å |
| 154 | I | 94.8 | Very high | 92.9 | Very high | 60 Ų | 60 | 51 Ų | 51 | 31% | 0.308 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.7 | -49.9 | 177.8 | -66 | 167 | 0 | 0 | 0 | 110.5 | F120 I150 L151 Q152 I156 A157 L158 | F120-I154 HydrophobicContact CD1-CG1 4.02Å; F120-I154 HydrophobicContact CE1-CB 4.35Å; F120-I154 HydrophobicContact CE1-CG1 3.6Å; F120-I154 HydrophobicContact CZ-CG1 4.29Å; I150-I154 HydrophobicContact CG1-CD1 4.27Å; I150-I154 WeakPolarHBondContact O-CG1 3.27Å; I150-I154 PolarHBondContact O-N 3.08Å; L151-I154 PolarHBondContact O-N 3.46Å; Q152-I154 VanDerWaalsContact C-N 3.32Å; Q152-I154 PolarHBondContact O-N 3.46Å; I154-I156 PolarHBondContact O-N 3.06Å; I154-A157 PolarHBondContact O-N 3.47Å; I154-L158 HydrophobicContact CG2-CD1 3.81Å; I154-L158 HydrophobicContact CG2-CG 4.32Å; I154-L158 VanDerWaalsContact O-CG 3.31Å; I154-L158 WeakPolarHBondContact O-CG 3.38Å; I154-L158 PolarHBondContact O-N 2.93Å |
| 155 | F | 95.6 | Very high | 93.2 | Very high | 47 Ų | 47 | 55.1 Ų | 55.1 | 21% | 0.206 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.6 | -41 | -178.7 | -64.5 | -24.1 | 0 | 0 | 0 | 112.4 | L151 Q152 L158 R159 W166 V171 P174 | L151-F155 HydrophobicContact CB-CE2 4.4Å; L151-F155 VanDerWaalsContact O-CG 3.32Å; L151-F155 WeakPolarHBondContact O-CG 3.36Å; L151-F155 PolarHBondContact O-N 3.28Å; Q152-F155 PolarHBondContact O-N 2.99Å; F155-L158 PolarHBondContact O-N 3.4Å; F155-R159 WeakPolarHBondContact O-CB 3.2Å; F155-R159 PolarHBondContact O-N 2.99Å; F155-W166 HydrophobicContact CE1-CZ3 4.34Å; F155-V171 HydrophobicContact CB-CB 4.5Å; F155-V171 HydrophobicContact CB-CG1 3.89Å; F155-P174 HydrophobicContact CD2-CG 4.14Å; F155-P174 HydrophobicContact CE2-CG 4.14Å |
| 156 | I | 95.6 | Very high | 93.6 | Very high | 40 Ų | 40 | 57 Ų | 57 | 21% | 0.205 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.2 | -47.8 | 175.7 | -68.1 | 169.5 | 0 | 0 | 0 | 110.3 | F116 Q152 I154 L158 R159 L160 V171 | F116-I156 HydrophobicContact CE1-CB 4.2Å; F116-I156 HydrophobicContact CE1-CG2 3.97Å; F116-I156 HydrophobicContact CE2-CG2 4.23Å; F116-I156 HydrophobicContact CZ-CB 4.19Å; F116-I156 HydrophobicContact CZ-CG2 3.46Å; F116-I156 VanDerWaalsContact CZ-CG2 3.46Å; Q152-I156 HydrophobicContact CG-CD1 3.79Å; Q152-I156 HydrophobicContact CG-CG1 4.44Å; Q152-I156 WeakPolarHBondContact O-CB 3.45Å; Q152-I156 VanDerWaalsContact O-CG1 3.24Å; Q152-I156 WeakPolarHBondContact O-CG1 3.15Å; Q152-I156 PolarHBondContact O-N 3.49Å; I154-I156 PolarHBondContact O-N 3.06Å; I156-L158 PolarHBondContact O-N 3.04Å; I156-R159 PolarHBondContact O-N 2.96Å; I156-L160 HydrophobicContact CG2-CD1 3.57Å; I156-L160 HydrophobicContact CG2-CG 4.09Å; I156-L160 WeakPolarHBondContact O-CB 3.38Å; I156-L160 VanDerWaalsContact O-CG 3.24Å; I156-L160 WeakPolarHBondContact O-CG 3.43Å; I156-L160 PolarHBondContact O-N 3.33Å; I156-V171 HydrophobicContact CG1-CG1 4.02Å |
| 157 | A | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.4 | -49.2 | -180 | 0 | 0 | 0 | 0 | 0 | 111.9 | F116 F120 F153 I154 R159 L160 D161 | F116-A157 HydrophobicContact CB-CB 3.81Å; F116-A157 HydrophobicContact CD1-CB 4.19Å; F116-A157 HydrophobicContact CD2-CB 3.89Å; F116-A157 HydrophobicContact CG-CB 3.69Å; F120-A157 HydrophobicContact CZ-CB 4.05Å; F153-A157 WeakPolarHBondContact O-CB 3.4Å; F153-A157 PolarHBondContact O-N 3.45Å; F153-A157 VanDerWaalsContact O-N 3.08Å; I154-A157 PolarHBondContact O-N 3.47Å; A157-R159 VanDerWaalsContact C-N 3.32Å; A157-R159 PolarHBondContact O-N 3.07Å; A157-L160 PolarHBondContact O-N 2.94Å; A157-D161 PolarHBondContact O-N 3.38Å |
| 158 | L | 95.7 | Very high | 94.3 | Very high | 37 Ų | 37 | 60.5 Ų | 60.5 | 19% | 0.194 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.1 | -37.8 | 178.7 | -67.5 | 176 | 0 | 0 | 0 | 112.3 | L113 I154 F155 I156 K162 I163 I164 | L113-L158 HydrophobicContact CD1-CD2 3.94Å; I154-L158 HydrophobicContact CG2-CD1 3.81Å; I154-L158 HydrophobicContact CG2-CG 4.32Å; I154-L158 VanDerWaalsContact O-CG 3.31Å; I154-L158 WeakPolarHBondContact O-CG 3.38Å; I154-L158 PolarHBondContact O-N 2.93Å; F155-L158 PolarHBondContact O-N 3.4Å; I156-L158 PolarHBondContact O-N 3.04Å; L158-K162 PolarHBondContact O-N 3.27Å; L158-I163 HydrophobicContact CD2-CB 4.32Å; L158-I163 HydrophobicContact CD2-CD1 3.84Å; L158-I163 HydrophobicContact CD2-CG2 4.26Å; L158-I163 PolarHBondContact O-N 3.43Å; L158-I164 HydrophobicContact CB-CD1 3.96Å; L158-I164 HydrophobicContact CB-CG1 3.89Å; L158-I164 HydrophobicContact CB-CG2 4.25Å; L158-I164 HydrophobicContact CD1-CG2 4.48Å; L158-I164 PolarHBondContact O-N 3.42Å |
| 159 | R | 95.4 | Very high | 94.5 | Very high | 50 Ų | 50 | 61.1 Ų | 61.1 | 19% | 0.189 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.4 | -45.1 | 178.4 | 177.7 | 58.8 | 176.1 | 158.8 | -8.3 | 111.2 | F155 I156 A157 D161 K162 I164 L165 W166 W168 V171 | F155-R159 WeakPolarHBondContact O-CB 3.2Å; F155-R159 PolarHBondContact O-N 2.99Å; I156-R159 PolarHBondContact O-N 2.96Å; A157-R159 VanDerWaalsContact C-N 3.32Å; A157-R159 PolarHBondContact O-N 3.07Å; R159-D161 VanDerWaalsContact C-N 3.26Å; R159-D161 PolarHBondContact O-N 3.08Å; R159-K162 WeakPolarHBondContact O-CA 3.31Å; R159-K162 PolarHBondContact O-N 3.28Å; R159-I164 HydrophobicContact CB-CD1 4.16Å; R159-I164 HydrophobicContact CB-CG1 3.97Å; R159-I164 WeakPolarHBondContact CD-O 3.32Å; R159-I164 PolarHBondContact NH1-O 3.19Å; R159-L165 VanDerWaalsContact NH1-CA 3.3Å; R159-W166 PolarHBondContact NE-O 3.48Å; R159-W166 PolarHBondContact NH2-O 3.43Å; R159-W168 HydrophobicContact CG-CD2 4.33Å; R159-W168 HydrophobicContact CG-CE3 4.28Å; R159-W168 HydrophobicContact CG-CH2 3.82Å; R159-W168 HydrophobicContact CG-CZ2 3.87Å; R159-W168 HydrophobicContact CG-CZ3 4.03Å; R159-V171 HydrophobicContact CB-CG1 4.36Å; R159-V171 HydrophobicContact CB-CG2 3.97Å; R159-V171 HydrophobicContact CG-CG2 3.99Å |
| 160 | L | 93.8 | Very high | 94.7 | Very high | 55 Ų | 55 | 63.1 Ų | 63.1 | 29% | 0.288 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.6 | -31.7 | 178.5 | -71.8 | 174 | 0 | 0 | 0 | 112.2 | W112 F116 I156 A157 K162 W168 | W112-L160 HydrophobicContact CB-CB 3.91Å; W112-L160 VanDerWaalsContact CD1-C 3.46Å; W112-L160 VanDerWaalsContact CD1-CB 3.42Å; W112-L160 HydrophobicContact CD2-CB 3.84Å; W112-L160 HydrophobicContact CD2-CD1 3.74Å; W112-L160 HydrophobicContact CD2-CG 4.37Å; W112-L160 HydrophobicContact CE3-CD1 3.76Å; W112-L160 HydrophobicContact CG-CB 3.46Å; W112-L160 VanDerWaalsContact CG-CB 3.46Å; W112-L160 HydrophobicContact CG-CD1 4.16Å; W112-L160 HydrophobicContact CG-CG 4.44Å; W112-L160 HydrophobicContact CH2-CD1 4.42Å; W112-L160 HydrophobicContact CZ2-CD1 4.43Å; W112-L160 HydrophobicContact CZ3-CD1 4.11Å; F116-L160 HydrophobicContact CE2-CD1 3.96Å; F116-L160 HydrophobicContact CZ-CD1 4.31Å; I156-L160 HydrophobicContact CG2-CD1 3.57Å; I156-L160 HydrophobicContact CG2-CG 4.09Å; I156-L160 WeakPolarHBondContact O-CB 3.38Å; I156-L160 VanDerWaalsContact O-CG 3.24Å; I156-L160 WeakPolarHBondContact O-CG 3.43Å; I156-L160 PolarHBondContact O-N 3.33Å; A157-L160 PolarHBondContact O-N 2.94Å; L160-K162 PolarHBondContact O-N 3.36Å; L160-W168 HydrophobicContact CD2-CH2 3.79Å; L160-W168 HydrophobicContact CD2-CZ2 4.31Å; L160-W168 HydrophobicContact CG-CH2 4.19Å |
| 161 | D | 94.6 | Very high | 94.8 | Very high | 28 Ų | 28 | 60.1 Ų | 60.1 | 15% | 0.15 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -0 | 171.3 | -79.8 | -27.4 | 0 | 0 | 0 | 114.1 | W112 L113 A157 R159 I163 | W112-D161 WeakPolarHBondContact CB-OD1 3.4Å; W112-D161 VanDerWaalsContact CD1-OD1 3.3Å; W112-D161 VanDerWaalsContact N-CG 3.28Å; W112-D161 PolarHBondContact N-OD1 3.43Å; W112-D161 PolarHBondContact N-OD2 3.37Å; W112-D161 VanDerWaalsContact N-OD2 3.08Å; L113-D161 PolarHBondContact N-OD2 3.31Å; A157-D161 PolarHBondContact O-N 3.38Å; R159-D161 VanDerWaalsContact C-N 3.26Å; R159-D161 PolarHBondContact O-N 3.08Å; D161-I163 HydrophobicContact CB-CD1 3.93Å; D161-I163 HydrophobicContact CB-CG1 3.99Å; D161-I163 PolarHBondContact O-N 2.75Å |
| 162 | K | 93.7 | Very high | 94.9 | Very high | 167 Ų | 167 | 56.3 Ų | 56.3 | 73% | 0.726 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 22.1 | -176.9 | -53.3 | 179.2 | -179.8 | 177.7 | 0 | 114 | L158 R159 L160 | L158-K162 PolarHBondContact O-N 3.27Å; R159-K162 WeakPolarHBondContact O-CA 3.31Å; R159-K162 PolarHBondContact O-N 3.28Å; L160-K162 PolarHBondContact O-N 3.36Å |
| 163 | I | 94.9 | Very high | 94.9 | Very high | 110 Ų | 110 | 59.1 Ų | 59.1 | 56% | 0.564 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -71.3 | -41.2 | 173.2 | -63.6 | 169.1 | 0 | 0 | 0 | 109.3 | L158 D161 | L158-I163 HydrophobicContact CD2-CB 4.32Å; L158-I163 HydrophobicContact CD2-CD1 3.84Å; L158-I163 HydrophobicContact CD2-CG2 4.26Å; L158-I163 PolarHBondContact O-N 3.43Å; D161-I163 HydrophobicContact CB-CD1 3.93Å; D161-I163 HydrophobicContact CB-CG1 3.99Å; D161-I163 PolarHBondContact O-N 2.75Å |
| 164 | I | 95.3 | Very high | 94.8 | Very high | 23 Ų | 23 | 58.3 Ų | 58.3 | 12% | 0.118 | 29% | 0.291 | C | S | . | . | trans | -105 | 133.8 | 170.9 | 64.8 | 175.1 | 0 | 0 | 0 | 110.4 | L158 R159 W166 V171 | L158-I164 HydrophobicContact CB-CD1 3.96Å; L158-I164 HydrophobicContact CB-CG1 3.89Å; L158-I164 HydrophobicContact CB-CG2 4.25Å; L158-I164 HydrophobicContact CD1-CG2 4.48Å; L158-I164 PolarHBondContact O-N 3.42Å; R159-I164 HydrophobicContact CB-CD1 4.16Å; R159-I164 HydrophobicContact CB-CG1 3.97Å; R159-I164 WeakPolarHBondContact CD-O 3.32Å; R159-I164 PolarHBondContact NH1-O 3.19Å; I164-W166 HydrophobicContact CB-CD2 4.4Å; I164-W166 HydrophobicContact CD1-CD2 4.41Å; I164-W166 HydrophobicContact CD1-CE3 3.94Å; I164-W166 HydrophobicContact CD1-CZ3 4.41Å; I164-V171 HydrophobicContact CD1-CG2 4.22Å | ||
| 165 | L | 94.7 | Very high | 94.7 | Very high | 140 Ų | 140 | 58 Ų | 58 | 73% | 0.733 | 29% | 0.289 | S | S | * | . | trans | -99 | 11.5 | -178.8 | -68.8 | 165.5 | 0 | 0 | 0 | 113.3 | R159 | R159-L165 VanDerWaalsContact NH1-CA 3.3Š| ||
| 166 | W | 95.4 | Very high | 94.6 | Very high | 126 Ų | 126 | 58.7 Ų | 58.7 | 48% | 0.477 | 29% | 0.291 | S | S | . | . | trans | -64.1 | 149.2 | -177.7 | -58.9 | -16.7 | 0 | 0 | 0 | 112.3 | F155 R159 I164 V170 V171 | F155-W166 HydrophobicContact CE1-CZ3 4.34Å; R159-W166 PolarHBondContact NE-O 3.48Å; R159-W166 PolarHBondContact NH2-O 3.43Å; I164-W166 HydrophobicContact CB-CD2 4.4Å; I164-W166 HydrophobicContact CD1-CD2 4.41Å; I164-W166 HydrophobicContact CD1-CE3 3.94Å; I164-W166 HydrophobicContact CD1-CZ3 4.41Å; W166-V170 HydrophobicContact CB-CB 4.31Å; W166-V170 HydrophobicContact CB-CG1 4.39Å; W166-V170 HydrophobicContact CD2-CG1 4.26Å; W166-V170 HydrophobicContact CE3-CG1 3.82Å; W166-V170 HydrophobicContact CZ3-CG1 4.47Å; W166-V171 HydrophobicContact CB-CG2 4.5Å | ||
| 167 | P | 95.1 | Very high | 94.5 | Very high | 61 Ų | 61 | 62.2 Ų | 62.2 | 40% | 0.396 | 31% | 0.309 | S | S | . | . | trans | -61.4 | 151.7 | 171.7 | 27.8 | -34.6 | 0 | 0 | 0 | 110.6 | L169 V170 V171 D236 | P167-L169 PolarHBondContact O-N 3.32Å; P167-V170 HydrophobicContact CG-CB 4.35Å; P167-V170 HydrophobicContact CG-CG2 3.83Å; P167-V170 PolarHBondContact O-N 2.94Å; P167-V171 PolarHBondContact O-N 3.19Å; P167-D236 WeakPolarHBondContact CA-OD1 3.36Å | ||
| 168 | W | 95.7 | Very high | 94.3 | Very high | 41 Ų | 41 | 64.2 Ų | 64.2 | 16% | 0.155 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.3 | -29.2 | 177.5 | -71.8 | 99.4 | 0 | 0 | 0 | 112 | R159 L160 V170 V171 C172 V232 L235 D236 | R159-W168 HydrophobicContact CG-CD2 4.33Å; R159-W168 HydrophobicContact CG-CE3 4.28Å; R159-W168 HydrophobicContact CG-CH2 3.82Å; R159-W168 HydrophobicContact CG-CZ2 3.87Å; R159-W168 HydrophobicContact CG-CZ3 4.03Å; L160-W168 HydrophobicContact CD2-CH2 3.79Å; L160-W168 HydrophobicContact CD2-CZ2 4.31Å; L160-W168 HydrophobicContact CG-CH2 4.19Å; W168-V170 VanDerWaalsContact C-N 3.27Å; W168-V170 PolarHBondContact O-N 3.18Å; W168-V171 HydrophobicContact CE3-CB 4.33Å; W168-V171 HydrophobicContact CE3-CG1 4.04Å; W168-V171 HydrophobicContact CZ3-CG1 4.21Å; W168-V171 PolarHBondContact O-N 3.3Å; W168-C172 PolarHBondContact O-N 3.29Å; W168-C172 PolarHBondContact O-SG 2.99Å; W168-V232 HydrophobicContact CB-CG1 4.46Å; W168-L235 HydrophobicContact CB-CB 4.01Å; W168-L235 VanDerWaalsContact CD1-CB 3.45Å; W168-L235 HydrophobicContact CD2-CB 3.98Å; W168-L235 HydrophobicContact CD2-CD1 3.98Å; W168-L235 HydrophobicContact CE3-CD1 4.07Å; W168-L235 HydrophobicContact CG-CB 3.55Å; W168-L235 HydrophobicContact CG-CD1 4.24Å; W168-L235 PolarHBondContact NE1-O 2.89Å; W168-D236 VanDerWaalsContact CD1-OD1 3.26Å; W168-D236 PolarHBondContact N-OD1 3.21Å; W168-D236 PolarHBondContact N-OD2 2.87Å |
| 169 | L | 94.7 | Very high | 94.1 | Very high | 88 Ų | 88 | 63.3 Ų | 63.3 | 46% | 0.461 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -51.7 | -44.4 | 170.8 | -175.7 | 68 | 0 | 0 | 0 | 113 | P167 W176 V232 D236 | P167-L169 PolarHBondContact O-N 3.32Å; L169-W176 HydrophobicContact CD1-CZ2 3.86Å; L169-W176 PolarHBondContact O-NE1 2.97Å; L169-V232 VanDerWaalsContact CA-CG1 3.49Å; L169-V232 HydrophobicContact CB-CG1 3.86Å; L169-V232 HydrophobicContact CD1-CG1 4.01Å; L169-D236 PolarHBondContact N-OD2 2.65Å; L169-D236 VanDerWaalsContact N-OD2 3.17Å |
| 170 | V | 94.6 | Very high | 94.1 | Very high | 58 Ų | 58 | 64.3 Ų | 64.3 | 35% | 0.352 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -77.7 | -36.6 | 179.8 | 175.6 | 0 | 0 | 0 | 0 | 110.9 | W166 P167 W168 C172 V173 | W166-V170 HydrophobicContact CB-CB 4.31Å; W166-V170 HydrophobicContact CB-CG1 4.39Å; W166-V170 HydrophobicContact CD2-CG1 4.26Å; W166-V170 HydrophobicContact CE3-CG1 3.82Å; W166-V170 HydrophobicContact CZ3-CG1 4.47Å; P167-V170 HydrophobicContact CG-CB 4.35Å; P167-V170 HydrophobicContact CG-CG2 3.83Å; P167-V170 PolarHBondContact O-N 2.94Å; W168-V170 VanDerWaalsContact C-N 3.27Å; W168-V170 PolarHBondContact O-N 3.18Å; V170-C172 PolarHBondContact O-N 3.41Å; V170-V173 WeakPolarHBondContact O-CB 3.24Å; V170-V173 WeakPolarHBondContact O-CG2 3.46Å; V170-V173 PolarHBondContact O-N 3.22Å |
| 171 | V | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.2 | -31.9 | 177 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | Q152 F155 I156 R159 I164 W166 P167 W168 | Q152-V171 PolarHBondContact NE2-O 2.98Å; Q152-V171 PolarHBondContact OE1-O 3.19Å; F155-V171 HydrophobicContact CB-CB 4.5Å; F155-V171 HydrophobicContact CB-CG1 3.89Å; I156-V171 HydrophobicContact CG1-CG1 4.02Å; R159-V171 HydrophobicContact CB-CG1 4.36Å; R159-V171 HydrophobicContact CB-CG2 3.97Å; R159-V171 HydrophobicContact CG-CG2 3.99Å; I164-V171 HydrophobicContact CD1-CG2 4.22Å; W166-V171 HydrophobicContact CB-CG2 4.5Å; P167-V171 PolarHBondContact O-N 3.19Å; W168-V171 HydrophobicContact CE3-CB 4.33Å; W168-V171 HydrophobicContact CE3-CG1 4.04Å; W168-V171 HydrophobicContact CZ3-CG1 4.21Å; W168-V171 PolarHBondContact O-N 3.3Å |
| 172 | C | 94.4 | Very high | 93.9 | Very high | 13 Ų | 13 | 68.5 Ų | 68.5 | 9% | 0.088 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 6.7 | 178.3 | -65.1 | 0 | 0 | 0 | 0 | 114.9 | W168 V170 L175 W176 V232 | W168-C172 PolarHBondContact O-N 3.29Å; W168-C172 PolarHBondContact O-SG 2.99Å; V170-C172 PolarHBondContact O-N 3.41Å; C172-L175 WeakPolarHBondContact O-CA 3.38Å; C172-L175 WeakPolarHBondContact O-CB 3.23Å; C172-L175 PolarHBondContact O-N 2.92Å; C172-W176 PolarHBondContact O-N 3.24Å; C172-V232 HydrophobicContact CB-CG2 4.05Å |
| 173 | V | 93.8 | Very high | 93.9 | Very high | 64 Ų | 64 | 62.4 Ų | 62.4 | 39% | 0.388 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -48.2 | -46.3 | 178.6 | 167.9 | 0 | 0 | 0 | 0 | 114 | V170 L175 W176 I177 | V170-V173 WeakPolarHBondContact O-CB 3.24Å; V170-V173 WeakPolarHBondContact O-CG2 3.46Å; V170-V173 PolarHBondContact O-N 3.22Å; V173-L175 VanDerWaalsContact C-N 3.32Å; V173-L175 PolarHBondContact O-N 3.02Å; V173-W176 PolarHBondContact O-N 3.29Å; V173-I177 HydrophobicContact CG1-CD1 4.04Å; V173-I177 WeakPolarHBondContact O-CG1 3.28Å; V173-I177 PolarHBondContact O-N 2.73Å; V173-I177 VanDerWaalsContact O-N 3.09Å |
| 174 | P | 92.7 | Very high | 93.8 | Very high | 16 Ų | 16 | 62.2 Ų | 62.2 | 10% | 0.104 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.2 | -39.6 | 175.4 | -26 | 34.9 | 0 | 0 | 0 | 114.1 | L151 Q152 F155 I177 L178 | L151-P174 HydrophobicContact CB-CB 4.48Å; L151-P174 HydrophobicContact CB-CG 3.79Å; Q152-P174 HydrophobicContact CB-CB 4.04Å; Q152-P174 HydrophobicContact CB-CG 4.3Å; F155-P174 HydrophobicContact CD2-CG 4.14Å; F155-P174 HydrophobicContact CE2-CG 4.14Å; P174-I177 PolarHBondContact O-N 2.74Å; P174-L178 PolarHBondContact O-N 3.2Å |
| 175 | L | 91.9 | Very high | 93.6 | Very high | 54 Ų | 54 | 62.7 Ų | 62.7 | 28% | 0.283 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -69 | -39.5 | 176.2 | -70.9 | 171.3 | 0 | 0 | 0 | 112.1 | Q152 C172 V173 I177 L178 M179 E228 | Q152-L175 HydrophobicContact CG-CD1 3.88Å; Q152-L175 HydrophobicContact CG-CG 3.84Å; C172-L175 WeakPolarHBondContact O-CA 3.38Å; C172-L175 WeakPolarHBondContact O-CB 3.23Å; C172-L175 PolarHBondContact O-N 2.92Å; V173-L175 VanDerWaalsContact C-N 3.32Å; V173-L175 PolarHBondContact O-N 3.02Å; L175-I177 VanDerWaalsContact C-N 3.26Å; L175-I177 PolarHBondContact O-N 3.32Å; L175-L178 WeakPolarHBondContact O-CB 3.15Å; L175-L178 PolarHBondContact O-N 3.44Å; L175-L178 VanDerWaalsContact O-N 3.09Å; L175-M179 PolarHBondContact O-N 2.9Å; L175-E228 WeakPolarHBondContact CB-OE1 3.39Å |
| 176 | W | 94.5 | Very high | 93.5 | Very high | 61 Ų | 61 | 56.3 Ų | 56.3 | 23% | 0.231 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.7 | -40.1 | 173.7 | -66.8 | 120.2 | 0 | 0 | 0 | 112.4 | L169 C172 V173 M179 S180 L225 E228 I229 V232 | L169-W176 HydrophobicContact CD1-CZ2 3.86Å; L169-W176 PolarHBondContact O-NE1 2.97Å; C172-W176 PolarHBondContact O-N 3.24Å; V173-W176 PolarHBondContact O-N 3.29Å; W176-M179 PolarHBondContact O-N 2.91Å; W176-S180 VanDerWaalsContact O-CB 3.28Å; W176-S180 WeakPolarHBondContact O-CB 3.49Å; W176-S180 PolarHBondContact O-N 3.37Å; W176-L225 HydrophobicContact CE3-CD1 4.28Å; W176-L225 HydrophobicContact CZ3-CD1 3.88Å; W176-E228 HydrophobicContact CE3-CG 4.43Å; W176-E228 HydrophobicContact CH2-CG 3.94Å; W176-E228 HydrophobicContact CZ2-CG 4.15Å; W176-E228 HydrophobicContact CZ3-CG 4.09Å; W176-E228 PolarHBondContact N-OE1 3.07Å; W176-I229 HydrophobicContact CH2-CB 4.28Å; W176-I229 HydrophobicContact CH2-CG1 3.51Å; W176-I229 HydrophobicContact CZ3-CG1 3.76Å; W176-V232 HydrophobicContact CZ2-CB 4.33Å; W176-V232 HydrophobicContact CZ2-CG1 4.46Å; W176-V232 HydrophobicContact CZ2-CG2 3.98Å |
| 177 | I | 92.4 | Very high | 93.4 | Very high | 115 Ų | 115 | 54.9 Ų | 54.9 | 59% | 0.59 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64.4 | -44.3 | 176.6 | -65.8 | 165.3 | 0 | 0 | 0 | 110.3 | V173 P174 L175 S180 F181 | V173-I177 HydrophobicContact CG1-CD1 4.04Å; V173-I177 WeakPolarHBondContact O-CG1 3.28Å; V173-I177 PolarHBondContact O-N 2.73Å; V173-I177 VanDerWaalsContact O-N 3.09Å; P174-I177 PolarHBondContact O-N 2.74Å; L175-I177 VanDerWaalsContact C-N 3.26Å; L175-I177 PolarHBondContact O-N 3.32Å; I177-S180 WeakPolarHBondContact O-CB 3.48Å; I177-S180 PolarHBondContact O-N 2.91Å; I177-F181 PolarHBondContact O-N 3.09Å; I177-F181 VanDerWaalsContact O-N 3.09Å |
| 178 | L | 91.2 | Very high | 93.3 | Very high | 42 Ų | 42 | 58 Ų | 58 | 22% | 0.22 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.1 | -47.2 | 176.8 | 179.7 | 63.3 | 0 | 0 | 0 | 111.5 | L145 P174 L175 S180 F181 L182 | L145-L178 HydrophobicContact CD2-CD2 4.22Å; P174-L178 PolarHBondContact O-N 3.2Å; L175-L178 WeakPolarHBondContact O-CB 3.15Å; L175-L178 PolarHBondContact O-N 3.44Å; L175-L178 VanDerWaalsContact O-N 3.09Å; L178-S180 VanDerWaalsContact C-N 3.3Å; L178-S180 PolarHBondContact O-N 3.37Å; L178-F181 WeakPolarHBondContact O-CB 3.47Å; L178-F181 PolarHBondContact O-N 2.98Å; L178-L182 WeakPolarHBondContact O-CG 3.38Å; L178-L182 PolarHBondContact O-N 3.08Å |
| 179 | M | 92.6 | Very high | 93 | Very high | 17 Ų | 17 | 59.4 Ų | 59.4 | 8% | 0.084 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.6 | -35.7 | 178 | -72.6 | -53.4 | -66 | 0 | 0 | 112.2 | L175 W176 F181 L182 C183 V221 L224 L225 E228 | L175-M179 PolarHBondContact O-N 2.9Å; W176-M179 PolarHBondContact O-N 2.91Å; M179-F181 VanDerWaalsContact C-N 3.35Å; M179-F181 PolarHBondContact O-N 3.3Å; M179-L182 PolarHBondContact O-N 2.92Å; M179-L182 HydrophobicContact SD-CD1 3.75Å; M179-C183 PolarHBondContact O-N 3.15Å; M179-C183 PolarHBondContact O-SG 2.75Å; M179-V221 HydrophobicContact CE-CG1 3.99Å; M179-L224 HydrophobicContact CE-CB 3.68Å; M179-L224 HydrophobicContact SD-CB 4.45Å; M179-L225 HydrophobicContact CB-CD1 4.13Å; M179-L225 HydrophobicContact CE-CB 3.81Å; M179-E228 WeakPolarHBondContact CG-OE2 3.36Å |
| 180 | S | 93.8 | Very high | 92.8 | Very high | 71 Ų | 71 | 58 Ų | 58 | 50% | 0.497 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.5 | -44.7 | 172.6 | -176.3 | 0 | 0 | 0 | 0 | 111.7 | W176 I177 L178 L182 C183 L184 | W176-S180 VanDerWaalsContact O-CB 3.28Å; W176-S180 WeakPolarHBondContact O-CB 3.49Å; W176-S180 PolarHBondContact O-N 3.37Å; I177-S180 WeakPolarHBondContact O-CB 3.48Å; I177-S180 PolarHBondContact O-N 2.91Å; L178-S180 VanDerWaalsContact C-N 3.3Å; L178-S180 PolarHBondContact O-N 3.37Å; S180-L182 PolarHBondContact O-N 3.36Å; S180-C183 WeakPolarHBondContact O-CB 3.41Å; S180-C183 PolarHBondContact O-N 2.9Å; S180-L184 PolarHBondContact O-N 2.82Å |
| 181 | F | 92.7 | Very high | 92.6 | Very high | 129 Ų | 129 | 60.8 Ų | 60.8 | 57% | 0.566 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62.5 | -42.7 | 174.5 | -177 | -96.5 | 0 | 0 | 0 | 112.1 | I177 L178 M179 C183 L184 V185 | I177-F181 PolarHBondContact O-N 3.09Å; I177-F181 VanDerWaalsContact O-N 3.09Å; L178-F181 WeakPolarHBondContact O-CB 3.47Å; L178-F181 PolarHBondContact O-N 2.98Å; M179-F181 VanDerWaalsContact C-N 3.35Å; M179-F181 PolarHBondContact O-N 3.3Å; F181-C183 VanDerWaalsContact C-N 3.31Å; F181-C183 PolarHBondContact O-N 3.41Å; F181-L184 WeakPolarHBondContact O-CB 3.26Å; F181-L184 PolarHBondContact O-N 3.05Å; F181-L184 VanDerWaalsContact O-N 3.14Å; F181-V185 HydrophobicContact CD1-CG2 4.19Å; F181-V185 HydrophobicContact CE1-CG2 3.81Å; F181-V185 HydrophobicContact CZ-CG2 4.23Å; F181-V185 WeakPolarHBondContact O-CG2 3.36Å; F181-V185 PolarHBondContact O-N 3.21Å |
| 182 | L | 91.8 | Very high | 92.2 | Very high | 42 Ų | 42 | 65.3 Ų | 65.3 | 22% | 0.22 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.3 | -37.8 | 175.8 | -68.1 | 176 | 0 | 0 | 0 | 112.2 | L178 M179 S180 L184 V185 V186 V221 | L178-L182 WeakPolarHBondContact O-CG 3.38Å; L178-L182 PolarHBondContact O-N 3.08Å; M179-L182 PolarHBondContact O-N 2.92Å; M179-L182 HydrophobicContact SD-CD1 3.75Å; S180-L182 PolarHBondContact O-N 3.36Å; L182-L184 VanDerWaalsContact C-N 3.34Å; L182-L184 PolarHBondContact O-N 2.91Å; L182-V185 WeakPolarHBondContact O-CB 3.14Å; L182-V185 PolarHBondContact O-N 3.45Å; L182-V186 VanDerWaalsContact O-CG2 3.26Å; L182-V186 WeakPolarHBondContact O-CG2 3.41Å; L182-V186 PolarHBondContact O-N 2.93Å; L182-V221 HydrophobicContact CB-CG1 3.99Å; L182-V221 HydrophobicContact CB-CG2 4.19Å |
| 183 | C | 93.7 | Very high | 91.9 | Very high | 40 Ų | 40 | 65.4 Ų | 65.4 | 27% | 0.27 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.3 | -39.6 | 173 | -72.2 | 0 | 0 | 0 | 0 | 112.1 | M179 S180 F181 V185 V186 L187 | M179-C183 PolarHBondContact O-N 3.15Å; M179-C183 PolarHBondContact O-SG 2.75Å; S180-C183 WeakPolarHBondContact O-CB 3.41Å; S180-C183 PolarHBondContact O-N 2.9Å; F181-C183 VanDerWaalsContact C-N 3.31Å; F181-C183 PolarHBondContact O-N 3.41Å; C183-V185 VanDerWaalsContact C-N 3.34Å; C183-V185 PolarHBondContact O-N 2.96Å; C183-V186 WeakPolarHBondContact O-CB 3.35Å; C183-V186 PolarHBondContact O-N 3.34Å; C183-L187 WeakPolarHBondContact O-CG 3.24Å; C183-L187 PolarHBondContact O-N 3.34Å |
| 184 | L | 94.2 | Very high | 91.5 | Very high | 105 Ų | 105 | 66.7 Ų | 66.7 | 55% | 0.55 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.2 | -40.1 | 174 | -67.1 | 175.4 | 0 | 0 | 0 | 112.1 | S180 F181 L182 V186 L187 Y188 | S180-L184 PolarHBondContact O-N 2.82Å; F181-L184 WeakPolarHBondContact O-CB 3.26Å; F181-L184 PolarHBondContact O-N 3.05Å; F181-L184 VanDerWaalsContact O-N 3.14Å; L182-L184 VanDerWaalsContact C-N 3.34Å; L182-L184 PolarHBondContact O-N 2.91Å; L184-V186 VanDerWaalsContact C-N 3.34Å; L184-L187 HydrophobicContact CD2-CD1 4.41Å; L184-L187 PolarHBondContact O-N 3.2Å; L184-Y188 WeakPolarHBondContact O-CB 3.49Å; L184-Y188 PolarHBondContact O-N 2.95Å |
| 185 | V | 90.8 | Very high | 91.2 | Very high | 33 Ų | 33 | 70.9 Ų | 70.9 | 20% | 0.2 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 174.9 | 171.8 | 0 | 0 | 0 | 0 | 111 | F181 L182 C183 Y188 Y189 | F181-V185 HydrophobicContact CD1-CG2 4.19Å; F181-V185 HydrophobicContact CE1-CG2 3.81Å; F181-V185 HydrophobicContact CZ-CG2 4.23Å; F181-V185 WeakPolarHBondContact O-CG2 3.36Å; F181-V185 PolarHBondContact O-N 3.21Å; L182-V185 WeakPolarHBondContact O-CB 3.14Å; L182-V185 PolarHBondContact O-N 3.45Å; C183-V185 VanDerWaalsContact C-N 3.34Å; C183-V185 PolarHBondContact O-N 2.96Å; V185-Y188 WeakPolarHBondContact O-CB 3.07Å; V185-Y188 PolarHBondContact O-N 3.39Å; V185-Y189 HydrophobicContact CG1-CD2 3.8Å; V185-Y189 HydrophobicContact CG1-CE2 3.44Å; V185-Y189 VanDerWaalsContact CG1-CE2 3.44Å; V185-Y189 WeakPolarHBondContact O-CD2 3.46Å; V185-Y189 PolarHBondContact O-N 3.38Å |
| 186 | V | 92.8 | Very high | 90.7 | Very high | 7 Ų | 7 | 69.3 Ų | 69.3 | 4% | 0.042 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 175.7 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | L182 C183 L184 Y188 Y189 I190 W217 M218 V221 | L182-V186 VanDerWaalsContact O-CG2 3.26Å; L182-V186 WeakPolarHBondContact O-CG2 3.41Å; L182-V186 PolarHBondContact O-N 2.93Å; C183-V186 WeakPolarHBondContact O-CB 3.35Å; C183-V186 PolarHBondContact O-N 3.34Å; L184-V186 VanDerWaalsContact C-N 3.34Å; V186-Y188 VanDerWaalsContact C-N 3.3Å; V186-Y188 PolarHBondContact O-N 3.04Å; V186-Y189 PolarHBondContact O-N 3.1Å; V186-Y189 VanDerWaalsContact O-N 3.14Å; V186-I190 HydrophobicContact CG1-CD1 3.98Å; V186-I190 WeakPolarHBondContact O-CG1 3.35Å; V186-I190 PolarHBondContact O-N 3Å; V186-W217 HydrophobicContact CG2-CB 4.12Å; V186-M218 HydrophobicContact CG1-CG 3.71Å; V186-M218 HydrophobicContact CG1-SD 3.19Å; V186-M218 WeakPolarHBondContact CG1-SD 3.39Å; V186-V221 HydrophobicContact CG2-CB 3.66Å; V186-V221 HydrophobicContact CG2-CG1 4Å; V186-V221 HydrophobicContact CG2-CG2 3.56Å |
| 187 | L | 93.1 | Very high | 90.1 | Very high | 95 Ų | 95 | 71.8 Ų | 71.8 | 50% | 0.497 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.1 | -42.2 | 176.2 | -72.9 | 172.7 | 0 | 0 | 0 | 111.7 | C183 L184 Y189 I190 I191 | C183-L187 WeakPolarHBondContact O-CG 3.24Å; C183-L187 PolarHBondContact O-N 3.34Å; L184-L187 HydrophobicContact CD2-CD1 4.41Å; L184-L187 PolarHBondContact O-N 3.2Å; L187-Y189 PolarHBondContact O-N 2.93Å; L187-I190 PolarHBondContact O-N 3.01Å; L187-I191 VanDerWaalsContact O-CG1 3.29Å; L187-I191 WeakPolarHBondContact O-CG1 3.43Å; L187-I191 PolarHBondContact O-N 3.24Å |
| 188 | Y | 92.1 | Very high | 89.5 | Confident | 128 Ų | 128 | 76.6 Ų | 76.6 | 50% | 0.502 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -56.2 | -48.8 | 173.5 | 167.5 | -88.5 | 0 | 0 | 0 | 111.4 | L184 V185 V186 I190 I191 W192 | L184-Y188 WeakPolarHBondContact O-CB 3.49Å; L184-Y188 PolarHBondContact O-N 2.95Å; V185-Y188 WeakPolarHBondContact O-CB 3.07Å; V185-Y188 PolarHBondContact O-N 3.39Å; V186-Y188 VanDerWaalsContact C-N 3.3Å; V186-Y188 PolarHBondContact O-N 3.04Å; Y188-I190 VanDerWaalsContact C-N 3.34Å; Y188-I190 PolarHBondContact O-N 3.12Å; Y188-I191 PolarHBondContact O-N 2.94Å; Y188-W192 AromaticContact CD1-CD1 3.88Å; Y188-W192 AromaticContact CD2-CD1 3.63Å; Y188-W192 AromaticContact CD2-NE1 3.65Å; Y188-W192 AromaticContact CE1-CD1 3.54Å; Y188-W192 HydrophobicContact CE1-CG 4.47Å; Y188-W192 AromaticContact CE1-NE1 3.86Å; Y188-W192 AromaticContact CE2-CD1 3.31Å; Y188-W192 AromaticContact CE2-NE1 2.94Å; Y188-W192 AromaticContact CG-CD1 3.91Å; Y188-W192 AromaticContact CZ-CD1 3.24Å; Y188-W192 AromaticContact CZ-NE1 3.05Å; Y188-W192 VanDerWaalsContact O-CD1 3.29Å; Y188-W192 PolarHBondContact O-N 3.49Å; Y188-W192 PolarHBondContact OH-NE1 3.25Å |
| 189 | Y | 89.5 | Confident | 88.9 | Confident | 69 Ų | 69 | 76.2 Ų | 76.2 | 27% | 0.271 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.3 | -36.1 | 178.3 | -76.3 | -63.8 | 0 | 0 | 0 | 113.1 | V185 V186 L187 S193 W217 | V185-Y189 HydrophobicContact CG1-CD2 3.8Å; V185-Y189 HydrophobicContact CG1-CE2 3.44Å; V185-Y189 VanDerWaalsContact CG1-CE2 3.44Å; V185-Y189 WeakPolarHBondContact O-CD2 3.46Å; V185-Y189 PolarHBondContact O-N 3.38Å; V186-Y189 PolarHBondContact O-N 3.1Å; V186-Y189 VanDerWaalsContact O-N 3.14Å; L187-Y189 PolarHBondContact O-N 2.93Å; Y189-S193 WeakPolarHBondContact O-CB 3.38Å; Y189-S193 PolarHBondContact O-N 3.09Å; Y189-W217 HydrophobicContact CD2-CB 4.42Å; Y189-W217 AromaticContact CD2-CD1 3.58Å; Y189-W217 HydrophobicContact CD2-CD2 4.44Å; Y189-W217 AromaticContact CD2-CG 3.92Å; Y189-W217 HydrophobicContact CD2-CG 3.92Å; Y189-W217 AromaticContact CD2-NE1 3.96Å; Y189-W217 AromaticContact CE2-CD1 3.58Å; Y189-W217 HydrophobicContact CE2-CD2 4.21Å; Y189-W217 AromaticContact CE2-CE2 3.85Å; Y189-W217 HydrophobicContact CE2-CG 4.08Å; Y189-W217 AromaticContact CE2-NE1 3.44Å; Y189-W217 AromaticContact CZ-NE1 3.77Å |
| 190 | I | 90.1 | Very high | 87.6 | Confident | 58 Ų | 58 | 83 Ų | 83 | 30% | 0.297 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.9 | -49.2 | 174.8 | -66.9 | 167.3 | 0 | 0 | 0 | 110.5 | V186 L187 Y188 W192 S193 V194 M218 | V186-I190 HydrophobicContact CG1-CD1 3.98Å; V186-I190 WeakPolarHBondContact O-CG1 3.35Å; V186-I190 PolarHBondContact O-N 3Å; L187-I190 PolarHBondContact O-N 3.01Å; Y188-I190 VanDerWaalsContact C-N 3.34Å; Y188-I190 PolarHBondContact O-N 3.12Å; I190-W192 VanDerWaalsContact C-N 3.33Å; I190-W192 PolarHBondContact O-N 2.96Å; I190-S193 WeakPolarHBondContact O-CB 3.49Å; I190-S193 PolarHBondContact O-N 3.36Å; I190-V194 HydrophobicContact CG2-CG2 4.49Å; I190-V194 WeakPolarHBondContact O-CG2 3.32Å; I190-V194 PolarHBondContact O-N 2.9Å; I190-M218 HydrophobicContact CD1-CE 4.47Å; I190-M218 HydrophobicContact CD1-CG 4.1Å; I190-M218 HydrophobicContact CD1-SD 3.71Å; I190-M218 HydrophobicContact CG1-CG 4.42Å |
| 191 | I | 90.9 | Very high | 86.4 | Confident | 117 Ų | 117 | 87.2 Ų | 87.2 | 60% | 0.6 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -59.2 | -46.8 | 180 | -68.1 | 165.2 | 0 | 0 | 0 | 110.2 | L187 Y188 S193 V194 L195 | L187-I191 VanDerWaalsContact O-CG1 3.29Å; L187-I191 WeakPolarHBondContact O-CG1 3.43Å; L187-I191 PolarHBondContact O-N 3.24Å; Y188-I191 PolarHBondContact O-N 2.94Å; I191-S193 PolarHBondContact O-N 3.2Å; I191-V194 PolarHBondContact O-N 3.34Å; I191-L195 WeakPolarHBondContact O-CB 3.39Å; I191-L195 PolarHBondContact O-N 3.3Å |
| 192 | W | 87.3 | Confident | 85.1 | Confident | 96 Ų | 96 | 83.4 Ų | 83.4 | 36% | 0.364 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 175.7 | -87.6 | 102.7 | 0 | 0 | 0 | 112.2 | Y188 I190 V194 L195 F196 | Y188-W192 AromaticContact CD1-CD1 3.88Å; Y188-W192 AromaticContact CD2-CD1 3.63Å; Y188-W192 AromaticContact CD2-NE1 3.65Å; Y188-W192 AromaticContact CE1-CD1 3.54Å; Y188-W192 HydrophobicContact CE1-CG 4.47Å; Y188-W192 AromaticContact CE1-NE1 3.86Å; Y188-W192 AromaticContact CE2-CD1 3.31Å; Y188-W192 AromaticContact CE2-NE1 2.94Å; Y188-W192 AromaticContact CG-CD1 3.91Å; Y188-W192 AromaticContact CZ-CD1 3.24Å; Y188-W192 AromaticContact CZ-NE1 3.05Å; Y188-W192 VanDerWaalsContact O-CD1 3.29Å; Y188-W192 PolarHBondContact O-N 3.49Å; Y188-W192 PolarHBondContact OH-NE1 3.25Å; I190-W192 VanDerWaalsContact C-N 3.33Å; I190-W192 PolarHBondContact O-N 2.96Å; W192-V194 VanDerWaalsContact C-N 3.27Å; W192-V194 PolarHBondContact O-N 3.19Å; W192-L195 HydrophobicContact CE3-CD2 3.96Å; W192-L195 HydrophobicContact CZ3-CD2 3.95Å; W192-L195 PolarHBondContact O-N 3.5Å; W192-F196 HydrophobicContact CD2-CE2 4.26Å; W192-F196 AromaticContact CE3-CD2 3.71Å; W192-F196 HydrophobicContact CE3-CD2 3.71Å; W192-F196 AromaticContact CE3-CE2 3.2Å; W192-F196 HydrophobicContact CE3-CE2 3.2Å; W192-F196 HydrophobicContact CE3-CZ 4.12Å; W192-F196 HydrophobicContact CZ3-CD2 4.35Å; W192-F196 AromaticContact CZ3-CE2 3.54Å; W192-F196 HydrophobicContact CZ3-CE2 3.54Å; W192-F196 AromaticContact CZ3-CZ 3.99Å; W192-F196 HydrophobicContact CZ3-CZ 3.99Å; W192-F196 VanDerWaalsContact O-CD2 3.24Å; W192-F196 WeakPolarHBondContact O-CD2 3.19Å; W192-F196 PolarHBondContact O-N 3.48Å |
| 193 | S | 87.2 | Confident | 84.3 | Confident | 15 Ų | 15 | 87.3 Ų | 87.3 | 11% | 0.105 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -58.1 | -39.8 | 176.7 | -177.5 | 0 | 0 | 0 | 0 | 112.2 | Y189 I190 I191 L197 I211 | Y189-S193 WeakPolarHBondContact O-CB 3.38Å; Y189-S193 PolarHBondContact O-N 3.09Å; I190-S193 WeakPolarHBondContact O-CB 3.49Å; I190-S193 PolarHBondContact O-N 3.36Å; I191-S193 PolarHBondContact O-N 3.2Å; S193-L197 WeakPolarHBondContact O-CB 3.33Å; S193-L197 PolarHBondContact O-N 2.95Å; S193-I211 WeakPolarHBondContact OG-CA 3.45Å; S193-I211 WeakPolarHBondContact OG-CG1 3.49Å |
| 194 | V | 86.8 | Confident | 83.3 | Confident | 91 Ų | 91 | 87.7 Ų | 87.7 | 55% | 0.552 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -70 | -41 | 176.7 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | I190 I191 W192 L197 R198 | I190-V194 HydrophobicContact CG2-CG2 4.49Å; I190-V194 WeakPolarHBondContact O-CG2 3.32Å; I190-V194 PolarHBondContact O-N 2.9Å; I191-V194 PolarHBondContact O-N 3.34Å; W192-V194 VanDerWaalsContact C-N 3.27Å; W192-V194 PolarHBondContact O-N 3.19Å; V194-L197 WeakPolarHBondContact O-CB 3.4Å; V194-L197 PolarHBondContact O-N 3.3Å; V194-R198 PolarHBondContact O-N 2.75Å |
| 195 | L | 86.4 | Confident | 82.5 | Confident | 103 Ų | 103 | 89.7 Ų | 89.7 | 54% | 0.539 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.5 | -47.7 | 176.9 | -173.6 | 72.2 | 0 | 0 | 0 | 111.3 | I191 W192 L197 R198 S199 | I191-L195 WeakPolarHBondContact O-CB 3.39Å; I191-L195 PolarHBondContact O-N 3.3Å; W192-L195 HydrophobicContact CE3-CD2 3.96Å; W192-L195 HydrophobicContact CZ3-CD2 3.95Å; W192-L195 PolarHBondContact O-N 3.5Å; L195-L197 VanDerWaalsContact C-N 3.27Å; L195-L197 PolarHBondContact O-N 3.43Å; L195-R198 PolarHBondContact O-N 3.49Å; L195-R198 VanDerWaalsContact O-N 3.14Å; L195-S199 PolarHBondContact O-N 3.17Å; L195-S199 VanDerWaalsContact O-N 3.16Å |
| 196 | F | 81.7 | Confident | 81.8 | Confident | 22 Ų | 22 | 92.4 Ų | 92.4 | 10% | 0.096 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -67.2 | -24.8 | 176.7 | -84.6 | -75.5 | 0 | 0 | 0 | 113.4 | W192 R198 S199 I202 H210 | W192-F196 HydrophobicContact CD2-CE2 4.26Å; W192-F196 AromaticContact CE3-CD2 3.71Å; W192-F196 HydrophobicContact CE3-CD2 3.71Å; W192-F196 AromaticContact CE3-CE2 3.2Å; W192-F196 HydrophobicContact CE3-CE2 3.2Å; W192-F196 HydrophobicContact CE3-CZ 4.12Å; W192-F196 HydrophobicContact CZ3-CD2 4.35Å; W192-F196 AromaticContact CZ3-CE2 3.54Å; W192-F196 HydrophobicContact CZ3-CE2 3.54Å; W192-F196 AromaticContact CZ3-CZ 3.99Å; W192-F196 HydrophobicContact CZ3-CZ 3.99Å; W192-F196 VanDerWaalsContact O-CD2 3.24Å; W192-F196 WeakPolarHBondContact O-CD2 3.19Å; W192-F196 PolarHBondContact O-N 3.48Å; F196-R198 VanDerWaalsContact C-N 3.34Å; F196-S199 WeakPolarHBondContact CA-OG 3.4Å; F196-S199 PolarHBondContact O-OG 3.47Å; F196-I202 HydrophobicContact CD1-CD1 3.39Å; F196-I202 HydrophobicContact CD1-CG2 4.06Å; F196-I202 HydrophobicContact CE1-CD1 3.46Å; F196-I202 VanDerWaalsContact CE1-CD1 3.46Å; F196-I202 HydrophobicContact CE1-CG2 4.27Å; F196-H210 HydrophobicContact CD2-CB 4.45Å; F196-H210 AromaticContact CD2-CD2 3.74Å; F196-H210 AromaticContact CD2-CG 3.98Å; F196-H210 AromaticContact CE2-CD2 3.72Å; F196-H210 AromaticContact CE2-CE1 3.92Å; F196-H210 AromaticContact CE2-NE2 3.58Å; F196-H210 AromaticContact CZ-NE2 3.72Å |
| 197 | L | 80 | Confident | 81.1 | Confident | 112 Ų | 112 | 95.5 Ų | 95.5 | 59% | 0.586 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -71.6 | -31.8 | 173.1 | -172.5 | 64.1 | 0 | 0 | 0 | 111.7 | S193 V194 L195 I211 | S193-L197 WeakPolarHBondContact O-CB 3.33Å; S193-L197 PolarHBondContact O-N 2.95Å; V194-L197 WeakPolarHBondContact O-CB 3.4Å; V194-L197 PolarHBondContact O-N 3.3Å; L195-L197 VanDerWaalsContact C-N 3.27Å; L195-L197 PolarHBondContact O-N 3.43Å; L197-I211 HydrophobicContact CD1-CD1 4.35Å |
| 198 | R | 81.1 | Confident | 80.5 | Confident | 217 Ų | 217 | 99.6 Ų | 99.6 | 82% | 0.819 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -84.3 | -26.7 | -178.2 | -168.9 | 176.6 | -179.1 | -176.4 | 0.5 | 113.5 | V194 L195 F196 I200 | V194-R198 PolarHBondContact O-N 2.75Å; L195-R198 PolarHBondContact O-N 3.49Å; L195-R198 VanDerWaalsContact O-N 3.14Å; F196-R198 VanDerWaalsContact C-N 3.34Å; R198-I200 PolarHBondContact O-N 3.19Å |
| 199 | S | 79 | Confident | 80 | Confident | 34 Ų | 34 | 96.9 Ų | 96.9 | 24% | 0.238 | 47% | 0.472 | C | S | . | . | trans | -70.6 | 116.2 | 176.7 | 56 | 0 | 0 | 0 | 0 | 111 | L195 F196 D201 I202 | L195-S199 PolarHBondContact O-N 3.17Å; L195-S199 VanDerWaalsContact O-N 3.16Å; F196-S199 WeakPolarHBondContact CA-OG 3.4Å; F196-S199 PolarHBondContact O-OG 3.47Å; S199-D201 VanDerWaalsContact C-N 3.33Å; S199-I202 WeakPolarHBondContact OG-CD1 3.42Å; S199-I202 WeakPolarHBondContact OG-CG1 3.35Å | ||
| 200 | I | 64.8 | Low | 79.7 | Confident | 158 Ų | 158 | 96 Ų | 96 | 81% | 0.81 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -25.4 | -177.7 | -63.5 | 171.2 | 0 | 0 | 0 | 111.3 | R198 I202 | R198-I200 PolarHBondContact O-N 3.19Å; I200-I202 PolarHBondContact O-N 3.3Å |
| 201 | D | 68.2 | Low | 79.5 | Confident | 160 Ų | 160 | 95.6 Ų | 95.6 | 86% | 0.856 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | 6.9 | -170.8 | -57 | -48.8 | 0 | 0 | 0 | 115.2 | S199 | S199-D201 VanDerWaalsContact C-N 3.33Š|
| 202 | I | 66.1 | Low | 79.3 | Confident | 50 Ų | 50 | 93.9 Ų | 93.9 | 26% | 0.256 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -101.5 | 133.9 | -172.7 | -56.3 | -170 | 0 | 0 | 0 | 111.8 | F196 S199 I200 A204 Q206 | F196-I202 HydrophobicContact CD1-CD1 3.39Å; F196-I202 HydrophobicContact CD1-CG2 4.06Å; F196-I202 HydrophobicContact CE1-CD1 3.46Å; F196-I202 VanDerWaalsContact CE1-CD1 3.46Å; F196-I202 HydrophobicContact CE1-CG2 4.27Å; S199-I202 WeakPolarHBondContact OG-CD1 3.42Å; S199-I202 WeakPolarHBondContact OG-CG1 3.35Å; I200-I202 PolarHBondContact O-N 3.3Å; I202-A204 PolarHBondContact O-N 3.46Å; I202-Q206 HydrophobicContact CG2-CB 4.27Å |
| 203 | I | 74.2 | Confident | 79.2 | Confident | 123 Ų | 123 | 93.7 Ų | 93.7 | 63% | 0.631 | 47% | 0.468 | S | S | * | . | trans | -48.2 | 124.7 | 176 | -62.2 | 163.9 | 0 | 0 | 0 | 109.7 | E205 Q206 R207 | I203-E205 HydrophobicContact CG2-CB 4.08Å; I203-E205 PolarHBondContact O-N 2.97Å; I203-Q206 PolarHBondContact O-N 2.68Å; I203-Q206 VanDerWaalsContact O-N 3.08Å; I203-R207 PolarHBondContact O-N 3.43Å | ||
| 204 | A | 73.4 | Confident | 79.4 | Confident | 48 Ų | 48 | 93.3 Ų | 93.3 | 40% | 0.397 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -57.2 | -24.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | I202 R208 | I202-A204 PolarHBondContact O-N 3.46Å; A204-R208 WeakPolarHBondContact O-CG 3.42Å; A204-R208 PolarHBondContact O-N 3.35Å |
| 205 | E | 76.7 | Confident | 79.6 | Confident | 147 Ų | 147 | 93.7 Ų | 93.7 | 69% | 0.687 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -71.4 | -42.3 | 177.8 | -168.7 | 169.5 | -165.4 | 0 | 0 | 113 | I203 R207 R208 T209 | I203-E205 HydrophobicContact CG2-CB 4.08Å; I203-E205 PolarHBondContact O-N 2.97Å; E205-R207 VanDerWaalsContact C-N 3.34Å; E205-R207 PolarHBondContact O-N 3.49Å; E205-R208 PolarHBondContact O-N 3.43Å; E205-T209 PolarHBondContact O-N 3.2Å; E205-T209 VanDerWaalsContact O-N 3.09Å; E205-T209 PolarHBondContact O-OG1 3.43Å |
| 206 | Q | 76.6 | Confident | 79.8 | Confident | 91 Ų | 91 | 89.9 Ų | 89.9 | 43% | 0.425 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.7 | -38.9 | 177.3 | -172.5 | 171.4 | -20.1 | 0 | 0 | 111.2 | I202 I203 T209 H210 | I202-Q206 HydrophobicContact CG2-CB 4.27Å; I203-Q206 PolarHBondContact O-N 2.68Å; I203-Q206 VanDerWaalsContact O-N 3.08Å; Q206-T209 WeakPolarHBondContact O-CB 3.14Å; Q206-T209 PolarHBondContact O-N 3.38Å; Q206-H210 PolarHBondContact O-CD2 3.37Å; Q206-H210 VanDerWaalsContact O-CD2 3.22Å; Q206-H210 PolarHBondContact O-N 3.18Å; Q206-H210 VanDerWaalsContact O-N 3.12Å |
| 207 | R | 77.4 | Confident | 80.3 | Confident | 71 Ų | 71 | 92.8 Ų | 92.8 | 27% | 0.268 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60 | -46.4 | 173.7 | -177.1 | 176.7 | 64.4 | -121.5 | 2.8 | 112.3 | I203 E205 T209 H210 I211 | I203-R207 PolarHBondContact O-N 3.43Å; E205-R207 VanDerWaalsContact C-N 3.34Å; E205-R207 PolarHBondContact O-N 3.49Å; R207-T209 VanDerWaalsContact C-N 3.26Å; R207-T209 PolarHBondContact O-N 2.81Å; R207-H210 PolarHBondContact O-N 3.42Å; R207-I211 HydrophobicContact CG-CD1 3.9Å; R207-I211 WeakPolarHBondContact O-CG1 3.32Å; R207-I211 PolarHBondContact O-N 2.95Å; R207-I211 VanDerWaalsContact O-N 3.13Å |
| 208 | R | 80.5 | Confident | 81 | Confident | 182 Ų | 182 | 90.9 Ų | 90.9 | 69% | 0.687 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -60.3 | -37.8 | 176.6 | -75.9 | 175.7 | -177.6 | -113.8 | 2.6 | 111.9 | A204 E205 T212 | A204-R208 WeakPolarHBondContact O-CG 3.42Å; A204-R208 PolarHBondContact O-N 3.35Å; E205-R208 PolarHBondContact O-N 3.43Å; R208-T212 WeakPolarHBondContact O-CB 3.32Å; R208-T212 PolarHBondContact O-N 3.43Å; R208-T212 PolarHBondContact O-OG1 3.19Å |
| 209 | T | 81.3 | Confident | 81.6 | Confident | 70 Ų | 70 | 83 Ų | 83 | 43% | 0.429 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.5 | -50.4 | 178.7 | -56.6 | 0 | 0 | 0 | 0 | 111.5 | E205 Q206 R207 I211 T212 M213 | E205-T209 PolarHBondContact O-N 3.2Å; E205-T209 VanDerWaalsContact O-N 3.09Å; E205-T209 PolarHBondContact O-OG1 3.43Å; Q206-T209 WeakPolarHBondContact O-CB 3.14Å; Q206-T209 PolarHBondContact O-N 3.38Å; R207-T209 VanDerWaalsContact C-N 3.26Å; R207-T209 PolarHBondContact O-N 2.81Å; T209-I211 VanDerWaalsContact C-N 3.34Å; T209-I211 PolarHBondContact O-N 3.4Å; T209-T212 PolarHBondContact O-N 3.04Å; T209-M213 HydrophobicContact CG2-CG 4.5Å; T209-M213 VanDerWaalsContact O-CG 3.29Å; T209-M213 WeakPolarHBondContact O-CG 3.23Å; T209-M213 PolarHBondContact O-N 3.28Å |
| 210 | H | 83.7 | Confident | 82.3 | Confident | 51 Ų | 51 | 82 Ų | 82 | 24% | 0.236 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -62.6 | -38.4 | 178.8 | -73.7 | -69.9 | 0 | 0 | 0 | 113.1 | F196 Q206 R207 M213 A214 | F196-H210 HydrophobicContact CD2-CB 4.45Å; F196-H210 AromaticContact CD2-CD2 3.74Å; F196-H210 AromaticContact CD2-CG 3.98Å; F196-H210 AromaticContact CE2-CD2 3.72Å; F196-H210 AromaticContact CE2-CE1 3.92Å; F196-H210 AromaticContact CE2-NE2 3.58Å; F196-H210 AromaticContact CZ-NE2 3.72Å; Q206-H210 PolarHBondContact O-CD2 3.37Å; Q206-H210 VanDerWaalsContact O-CD2 3.22Å; Q206-H210 PolarHBondContact O-N 3.18Å; Q206-H210 VanDerWaalsContact O-N 3.12Å; R207-H210 PolarHBondContact O-N 3.42Å; H210-M213 PolarHBondContact O-N 3.43Å; H210-A214 WeakPolarHBondContact O-CB 3.44Å; H210-A214 PolarHBondContact O-N 3.31Å |
| 211 | I | 86.4 | Confident | 83.8 | Confident | 50 Ų | 50 | 74.6 Ų | 74.6 | 26% | 0.256 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.7 | -46.8 | 174.5 | -67.5 | 165.2 | 0 | 0 | 0 | 110.8 | S193 L197 R207 T209 M213 A214 I215 | S193-I211 WeakPolarHBondContact OG-CA 3.45Å; S193-I211 WeakPolarHBondContact OG-CG1 3.49Å; L197-I211 HydrophobicContact CD1-CD1 4.35Å; R207-I211 HydrophobicContact CG-CD1 3.9Å; R207-I211 WeakPolarHBondContact O-CG1 3.32Å; R207-I211 PolarHBondContact O-N 2.95Å; R207-I211 VanDerWaalsContact O-N 3.13Å; T209-I211 VanDerWaalsContact C-N 3.34Å; T209-I211 PolarHBondContact O-N 3.4Å; I211-M213 VanDerWaalsContact C-N 3.3Å; I211-M213 PolarHBondContact O-N 3.48Å; I211-A214 PolarHBondContact O-N 3.09Å; I211-I215 HydrophobicContact CG2-CD1 3.76Å; I211-I215 HydrophobicContact CG2-CG1 4.45Å; I211-I215 WeakPolarHBondContact O-CG1 2.89Å; I211-I215 PolarHBondContact O-N 2.87Å |
| 212 | T | 86.6 | Confident | 85.1 | Confident | 80 Ų | 80 | 70.2 Ų | 70.2 | 49% | 0.491 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63 | -39 | 179.9 | -54.6 | 0 | 0 | 0 | 0 | 111.2 | R208 T209 I215 S216 | R208-T212 WeakPolarHBondContact O-CB 3.32Å; R208-T212 PolarHBondContact O-N 3.43Å; R208-T212 PolarHBondContact O-OG1 3.19Å; T209-T212 PolarHBondContact O-N 3.04Å; T212-I215 PolarHBondContact O-N 3.01Å; T212-S216 WeakPolarHBondContact O-CB 3.43Å; T212-S216 PolarHBondContact O-N 3.26Å; T212-S216 PolarHBondContact O-OG 3.4Å |
| 213 | M | 85.9 | Confident | 86.6 | Confident | 92 Ų | 92 | 68.5 Ų | 68.5 | 45% | 0.453 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64 | -46.6 | 174.3 | -69.6 | -63.1 | 174.9 | 0 | 0 | 111.6 | T209 H210 I211 I215 S216 W217 | T209-M213 HydrophobicContact CG2-CG 4.5Å; T209-M213 VanDerWaalsContact O-CG 3.29Å; T209-M213 WeakPolarHBondContact O-CG 3.23Å; T209-M213 PolarHBondContact O-N 3.28Å; H210-M213 PolarHBondContact O-N 3.43Å; I211-M213 VanDerWaalsContact C-N 3.3Å; I211-M213 PolarHBondContact O-N 3.48Å; M213-I215 VanDerWaalsContact C-N 3.35Å; M213-I215 PolarHBondContact O-N 2.83Å; M213-S216 PolarHBondContact O-N 3.22Å; M213-W217 PolarHBondContact O-N 3.09Å |
| 214 | A | 90.5 | Very high | 87.6 | Confident | 7 Ų | 7 | 64.7 Ų | 64.7 | 6% | 0.058 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | H210 I211 W217 M218 | H210-A214 WeakPolarHBondContact O-CB 3.44Å; H210-A214 PolarHBondContact O-N 3.31Å; I211-A214 PolarHBondContact O-N 3.09Å; A214-W217 PolarHBondContact O-N 2.91Å; A214-M218 WeakPolarHBondContact O-CB 3.46Å; A214-M218 WeakPolarHBondContact O-CG 3.45Å; A214-M218 PolarHBondContact O-N 3.42Å |
| 215 | I | 91.4 | Very high | 88.7 | Confident | 99 Ų | 99 | 64.8 Ų | 64.8 | 51% | 0.508 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63 | -43.6 | 175.7 | -66.8 | 168.4 | 0 | 0 | 0 | 110.8 | I211 T212 M213 M218 T219 | I211-I215 HydrophobicContact CG2-CD1 3.76Å; I211-I215 HydrophobicContact CG2-CG1 4.45Å; I211-I215 WeakPolarHBondContact O-CG1 2.89Å; I211-I215 PolarHBondContact O-N 2.87Å; T212-I215 PolarHBondContact O-N 3.01Å; M213-I215 VanDerWaalsContact C-N 3.35Å; M213-I215 PolarHBondContact O-N 2.83Å; I215-M218 PolarHBondContact O-N 2.9Å; I215-T219 HydrophobicContact CG2-CG2 4.4Å; I215-T219 WeakPolarHBondContact O-CB 3.28Å; I215-T219 WeakPolarHBondContact O-CG2 3.47Å; I215-T219 PolarHBondContact O-N 3.46Å; I215-T219 PolarHBondContact O-OG1 3.49Å |
| 216 | S | 90.3 | Very high | 89.6 | Confident | 23 Ų | 23 | 60.5 Ų | 60.5 | 16% | 0.161 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.8 | -46.8 | 179.1 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | T212 M213 M218 T219 I220 | T212-S216 WeakPolarHBondContact O-CB 3.43Å; T212-S216 PolarHBondContact O-N 3.26Å; T212-S216 PolarHBondContact O-OG 3.4Å; M213-S216 PolarHBondContact O-N 3.22Å; S216-M218 PolarHBondContact O-N 3.41Å; S216-T219 WeakPolarHBondContact CA-OG1 3.35Å; S216-T219 PolarHBondContact O-N 3.5Å; S216-T219 PolarHBondContact O-OG1 2.96Å; S216-I220 WeakPolarHBondContact O-CD1 3.3Å; S216-I220 VanDerWaalsContact O-CG1 3.24Å; S216-I220 WeakPolarHBondContact O-CG1 3.32Å; S216-I220 PolarHBondContact O-N 3.24Å |
| 217 | W | 92.1 | Very high | 90.6 | Very high | 83 Ų | 83 | 57.7 Ų | 57.7 | 31% | 0.314 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.2 | -38.4 | 177.2 | -79.3 | 108.5 | 0 | 0 | 0 | 112.6 | V186 Y189 M213 A214 I220 V221 | V186-W217 HydrophobicContact CG2-CB 4.12Å; Y189-W217 HydrophobicContact CD2-CB 4.42Å; Y189-W217 AromaticContact CD2-CD1 3.58Å; Y189-W217 HydrophobicContact CD2-CD2 4.44Å; Y189-W217 AromaticContact CD2-CG 3.92Å; Y189-W217 HydrophobicContact CD2-CG 3.92Å; Y189-W217 AromaticContact CD2-NE1 3.96Å; Y189-W217 AromaticContact CE2-CD1 3.58Å; Y189-W217 HydrophobicContact CE2-CD2 4.21Å; Y189-W217 AromaticContact CE2-CE2 3.85Å; Y189-W217 HydrophobicContact CE2-CG 4.08Å; Y189-W217 AromaticContact CE2-NE1 3.44Å; Y189-W217 AromaticContact CZ-NE1 3.77Å; M213-W217 PolarHBondContact O-N 3.09Å; A214-W217 PolarHBondContact O-N 2.91Å; W217-I220 PolarHBondContact O-N 3.48Å; W217-V221 HydrophobicContact CE3-CG2 4.18Å; W217-V221 WeakPolarHBondContact O-CB 3.25Å; W217-V221 WeakPolarHBondContact O-CG2 3.5Å; W217-V221 PolarHBondContact O-N 3.42Å |
| 218 | M | 94.1 | Very high | 91.5 | Very high | 73 Ų | 73 | 55.1 Ų | 55.1 | 36% | 0.36 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.9 | -48.2 | 173.3 | -81.5 | -69 | -76.4 | 0 | 0 | 112.4 | V186 I190 A214 I215 S216 I220 V222 | V186-M218 HydrophobicContact CG1-CG 3.71Å; V186-M218 HydrophobicContact CG1-SD 3.19Å; V186-M218 WeakPolarHBondContact CG1-SD 3.39Å; I190-M218 HydrophobicContact CD1-CE 4.47Å; I190-M218 HydrophobicContact CD1-CG 4.1Å; I190-M218 HydrophobicContact CD1-SD 3.71Å; I190-M218 HydrophobicContact CG1-CG 4.42Å; A214-M218 WeakPolarHBondContact O-CB 3.46Å; A214-M218 WeakPolarHBondContact O-CG 3.45Å; A214-M218 PolarHBondContact O-N 3.42Å; I215-M218 PolarHBondContact O-N 2.9Å; S216-M218 PolarHBondContact O-N 3.41Å; M218-I220 PolarHBondContact O-N 3.29Å; M218-V222 HydrophobicContact CE-CG2 3.93Å; M218-V222 WeakPolarHBondContact O-CB 3.31Å; M218-V222 WeakPolarHBondContact O-CG2 3.39Å; M218-V222 PolarHBondContact O-N 3.26Å; M218-V222 VanDerWaalsContact O-N 3.08Å; M218-V222 HydrophobicContact SD-CG2 3.93Å |
| 219 | T | 94.4 | Very high | 92.2 | Very high | 50 Ų | 50 | 49.7 Ų | 49.7 | 31% | 0.307 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -69.7 | -15.4 | -179.7 | 46.4 | 0 | 0 | 0 | 0 | 113.3 | I215 S216 P223 T256 | I215-T219 HydrophobicContact CG2-CG2 4.4Å; I215-T219 WeakPolarHBondContact O-CB 3.28Å; I215-T219 WeakPolarHBondContact O-CG2 3.47Å; I215-T219 PolarHBondContact O-N 3.46Å; I215-T219 PolarHBondContact O-OG1 3.49Å; S216-T219 WeakPolarHBondContact CA-OG1 3.35Å; S216-T219 PolarHBondContact O-N 3.5Å; S216-T219 PolarHBondContact O-OG1 2.96Å; T219-P223 VanDerWaalsContact O-CD 3.28Å; T219-P223 WeakPolarHBondContact O-CD 3.43Å; T219-P223 VanDerWaalsContact O-CG 3.25Å; T219-P223 WeakPolarHBondContact O-CG 3.42Å; T219-T256 WeakPolarHBondContact OG1-CG2 3.47Å |
| 220 | I | 94.4 | Very high | 92.9 | Very high | 15 Ų | 15 | 48.3 Ų | 48.3 | 8% | 0.077 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -90 | -54.5 | 171.2 | -66.6 | 163.4 | 0 | 0 | 0 | 111.1 | S216 W217 M218 L224 S253 T256 L257 | S216-I220 WeakPolarHBondContact O-CD1 3.3Å; S216-I220 VanDerWaalsContact O-CG1 3.24Å; S216-I220 WeakPolarHBondContact O-CG1 3.32Å; S216-I220 PolarHBondContact O-N 3.24Å; W217-I220 PolarHBondContact O-N 3.48Å; M218-I220 PolarHBondContact O-N 3.29Å; I220-L224 HydrophobicContact CG2-CD1 3.95Å; I220-L224 WeakPolarHBondContact O-CB 3.29Å; I220-L224 VanDerWaalsContact O-CG 3.26Å; I220-L224 WeakPolarHBondContact O-CG 3.42Å; I220-L224 PolarHBondContact O-N 2.87Å; I220-S253 WeakPolarHBondContact O-CB 3.46Å; I220-S253 PolarHBondContact O-OG 2.93Å; I220-T256 HydrophobicContact CD1-CG2 4.12Å; I220-T256 HydrophobicContact CG1-CG2 3.66Å; I220-L257 HydrophobicContact CD1-CD2 3.74Å; I220-L257 HydrophobicContact CD1-CG 4.09Å; I220-L257 HydrophobicContact CG1-CD2 4.38Å; I220-L257 HydrophobicContact CG1-CG 4.22Å; I220-L257 HydrophobicContact CG2-CD1 4.5Å; I220-L257 HydrophobicContact CG2-CD2 4.43Å; I220-L257 HydrophobicContact CG2-CG 4.34Å |
| 221 | V | 95.9 | Very high | 93.5 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -77.5 | -39.9 | -167.3 | 176.7 | 0 | 0 | 0 | 0 | 112.5 | M179 L182 V186 W217 L224 L225 | M179-V221 HydrophobicContact CE-CG1 3.99Å; L182-V221 HydrophobicContact CB-CG1 3.99Å; L182-V221 HydrophobicContact CB-CG2 4.19Å; V186-V221 HydrophobicContact CG2-CB 3.66Å; V186-V221 HydrophobicContact CG2-CG1 4Å; V186-V221 HydrophobicContact CG2-CG2 3.56Å; W217-V221 HydrophobicContact CE3-CG2 4.18Å; W217-V221 WeakPolarHBondContact O-CB 3.25Å; W217-V221 WeakPolarHBondContact O-CG2 3.5Å; W217-V221 PolarHBondContact O-N 3.42Å; V221-L224 PolarHBondContact O-N 3.38Å; V221-L225 WeakPolarHBondContact O-CB 3.49Å; V221-L225 PolarHBondContact O-N 2.96Å |
| 222 | V | 95.5 | Very high | 94 | Very high | 68 Ų | 68 | 45.6 Ų | 45.6 | 41% | 0.412 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.9 | -45.9 | -178.8 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | M218 L225 T226 | M218-V222 HydrophobicContact CE-CG2 3.93Å; M218-V222 WeakPolarHBondContact O-CB 3.31Å; M218-V222 WeakPolarHBondContact O-CG2 3.39Å; M218-V222 PolarHBondContact O-N 3.26Å; M218-V222 VanDerWaalsContact O-N 3.08Å; M218-V222 HydrophobicContact SD-CG2 3.93Å; V222-L225 PolarHBondContact O-N 2.71Å; V222-T226 PolarHBondContact O-N 3.24Å; V222-T226 PolarHBondContact O-OG1 3.13Å |
| 223 | P | 97 | Very high | 94.4 | Very high | 14 Ų | 14 | 46 Ų | 46 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.9 | -31.2 | 176.3 | -19 | 34.4 | 0 | 0 | 0 | 112.8 | T219 T226 F227 P249 L252 S253 | T219-P223 VanDerWaalsContact O-CD 3.28Å; T219-P223 WeakPolarHBondContact O-CD 3.43Å; T219-P223 VanDerWaalsContact O-CG 3.25Å; T219-P223 WeakPolarHBondContact O-CG 3.42Å; P223-T226 PolarHBondContact O-N 2.97Å; P223-F227 WeakPolarHBondContact O-CB 3.48Å; P223-F227 PolarHBondContact O-N 3.13Å; P223-P249 HydrophobicContact CB-CB 3.88Å; P223-P249 WeakPolarHBondContact CB-O 3.3Å; P223-P249 WeakPolarHBondContact O-CB 3.38Å; P223-L252 HydrophobicContact CB-CB 4.36Å; P223-L252 HydrophobicContact CB-CD2 4.18Å; P223-L252 HydrophobicContact CB-CG 4.49Å; P223-L252 HydrophobicContact CG-CD2 3.71Å; P223-L252 HydrophobicContact CG-CG 4.17Å; P223-S253 WeakPolarHBondContact CB-OG 3.43Å |
| 224 | L | 95.7 | Very high | 94.8 | Very high | 43 Ų | 43 | 43 Ų | 43 | 23% | 0.225 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.9 | -44.9 | 171.5 | -78.8 | 175.3 | 0 | 0 | 0 | 112.1 | M179 I220 V221 T226 F227 E228 L250 S253 | M179-L224 HydrophobicContact CE-CB 3.68Å; M179-L224 HydrophobicContact SD-CB 4.45Å; I220-L224 HydrophobicContact CG2-CD1 3.95Å; I220-L224 WeakPolarHBondContact O-CB 3.29Å; I220-L224 VanDerWaalsContact O-CG 3.26Å; I220-L224 WeakPolarHBondContact O-CG 3.42Å; I220-L224 PolarHBondContact O-N 2.87Å; V221-L224 PolarHBondContact O-N 3.38Å; L224-T226 VanDerWaalsContact C-N 3.31Å; L224-T226 PolarHBondContact O-N 3.24Å; L224-F227 WeakPolarHBondContact O-CB 3.48Å; L224-F227 PolarHBondContact O-N 3.09Å; L224-E228 PolarHBondContact O-N 2.95Å; L224-L250 HydrophobicContact CD2-CD1 3.64Å; L224-S253 PolarHBondContact N-OG 3.08Å |
| 225 | L | 96.3 | Very high | 94.9 | Very high | 49 Ų | 49 | 45.6 Ų | 45.6 | 26% | 0.257 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.9 | -40.9 | 176.8 | -178.7 | 65.3 | 0 | 0 | 0 | 110.9 | W176 M179 V221 V222 E228 I229 | W176-L225 HydrophobicContact CE3-CD1 4.28Å; W176-L225 HydrophobicContact CZ3-CD1 3.88Å; M179-L225 HydrophobicContact CB-CD1 4.13Å; M179-L225 HydrophobicContact CE-CB 3.81Å; V221-L225 WeakPolarHBondContact O-CB 3.49Å; V221-L225 PolarHBondContact O-N 2.96Å; V222-L225 PolarHBondContact O-N 2.71Å; L225-E228 PolarHBondContact O-N 3.44Å; L225-I229 HydrophobicContact CD1-CD1 4.47Å; L225-I229 HydrophobicContact CG-CD1 4.07Å; L225-I229 VanDerWaalsContact O-CG1 3.29Å; L225-I229 WeakPolarHBondContact O-CG1 3.29Å; L225-I229 PolarHBondContact O-N 3.22Å |
| 226 | T | 96.3 | Very high | 95 | Very high | 58 Ų | 58 | 42.8 Ų | 42.8 | 36% | 0.356 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.2 | -44 | 175.9 | -54.7 | 0 | 0 | 0 | 0 | 111.1 | V222 P223 L224 I229 L230 P249 | V222-T226 PolarHBondContact O-N 3.24Å; V222-T226 PolarHBondContact O-OG1 3.13Å; P223-T226 PolarHBondContact O-N 2.97Å; L224-T226 VanDerWaalsContact C-N 3.31Å; L224-T226 PolarHBondContact O-N 3.24Å; T226-I229 PolarHBondContact O-N 3.24Å; T226-L230 HydrophobicContact CG2-CD1 4.04Å; T226-L230 HydrophobicContact CG2-CG 4.39Å; T226-L230 WeakPolarHBondContact O-CB 3.26Å; T226-L230 VanDerWaalsContact O-CG 3.26Å; T226-L230 WeakPolarHBondContact O-CG 3.49Å; T226-L230 PolarHBondContact O-N 3.03Å; T226-P249 HydrophobicContact CG2-CB 4.34Å; T226-P249 HydrophobicContact CG2-CG 4Å |
| 227 | F | 97.2 | Very high | 95.1 | Very high | 32 Ų | 32 | 44.7 Ų | 44.7 | 14% | 0.14 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.6 | -47.6 | 174.1 | 165.3 | -105.2 | 0 | 0 | 0 | 111.6 | P223 L224 I229 L230 L231 V246 F247 P249 L250 | P223-F227 WeakPolarHBondContact O-CB 3.48Å; P223-F227 PolarHBondContact O-N 3.13Å; L224-F227 WeakPolarHBondContact O-CB 3.48Å; L224-F227 PolarHBondContact O-N 3.09Å; F227-I229 PolarHBondContact O-N 3.25Å; F227-L230 PolarHBondContact O-N 3.32Å; F227-L231 HydrophobicContact CE1-CD2 4.12Å; F227-L231 HydrophobicContact CE2-CD2 4.48Å; F227-L231 HydrophobicContact CZ-CD2 3.81Å; F227-L231 VanDerWaalsContact O-CB 3.24Å; F227-L231 WeakPolarHBondContact O-CB 3.46Å; F227-L231 PolarHBondContact O-N 3.45Å; F227-V246 HydrophobicContact CD2-CG1 4.45Å; F227-V246 WeakPolarHBondContact CD2-O 3.48Å; F227-V246 HydrophobicContact CE2-CG1 4.45Å; F227-F247 HydrophobicContact CE2-CD1 4.08Å; F227-F247 AromaticContact CE2-CD2 3.83Å; F227-F247 HydrophobicContact CE2-CD2 3.83Å; F227-F247 HydrophobicContact CE2-CE1 4.17Å; F227-F247 AromaticContact CE2-CE2 3.95Å; F227-F247 HydrophobicContact CE2-CE2 3.95Å; F227-F247 AromaticContact CE2-CG 3.91Å; F227-F247 HydrophobicContact CE2-CG 3.91Å; F227-F247 HydrophobicContact CE2-CZ 4.12Å; F227-F247 HydrophobicContact CZ-CE1 4.34Å; F227-F247 HydrophobicContact CZ-CE2 4.47Å; F227-F247 HydrophobicContact CZ-CZ 4.27Å; F227-P249 HydrophobicContact CB-CB 4.17Å; F227-L250 HydrophobicContact CB-CB 4.19Å; F227-L250 HydrophobicContact CD1-CB 4.25Å; F227-L250 HydrophobicContact CD2-CB 3.73Å; F227-L250 HydrophobicContact CD2-CD2 4.43Å; F227-L250 HydrophobicContact CE1-CD2 4.17Å; F227-L250 HydrophobicContact CE2-CB 4.14Å; F227-L250 HydrophobicContact CE2-CD2 4.01Å; F227-L250 HydrophobicContact CG-CB 3.79Å; F227-L250 HydrophobicContact CZ-CD2 3.86Å |
| 228 | E | 95.8 | Very high | 95 | Very high | 16 Ų | 16 | 47.8 Ų | 47.8 | 8% | 0.075 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.9 | -47.8 | 179.2 | -174.8 | 178 | -166.4 | 0 | 0 | 111.9 | L175 W176 M179 L224 L225 L230 L231 V232 | L175-E228 WeakPolarHBondContact CB-OE1 3.39Å; W176-E228 HydrophobicContact CE3-CG 4.43Å; W176-E228 HydrophobicContact CH2-CG 3.94Å; W176-E228 HydrophobicContact CZ2-CG 4.15Å; W176-E228 HydrophobicContact CZ3-CG 4.09Å; W176-E228 PolarHBondContact N-OE1 3.07Å; M179-E228 WeakPolarHBondContact CG-OE2 3.36Å; L224-E228 PolarHBondContact O-N 2.95Å; L225-E228 PolarHBondContact O-N 3.44Å; E228-L230 PolarHBondContact O-N 2.88Å; E228-L231 PolarHBondContact O-N 3.4Å; E228-V232 WeakPolarHBondContact O-CB 3.28Å; E228-V232 WeakPolarHBondContact O-CG2 3.36Å; E228-V232 PolarHBondContact O-N 2.93Å |
| 229 | I | 95.9 | Very high | 94.6 | Very high | 68 Ų | 68 | 46.3 Ų | 46.3 | 35% | 0.349 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.1 | -49.9 | 177.1 | -65.4 | 162.7 | 0 | 0 | 0 | 110.9 | W176 L225 T226 F227 L231 V232 H233 | W176-I229 HydrophobicContact CH2-CB 4.28Å; W176-I229 HydrophobicContact CH2-CG1 3.51Å; W176-I229 HydrophobicContact CZ3-CG1 3.76Å; L225-I229 HydrophobicContact CD1-CD1 4.47Å; L225-I229 HydrophobicContact CG-CD1 4.07Å; L225-I229 VanDerWaalsContact O-CG1 3.29Å; L225-I229 WeakPolarHBondContact O-CG1 3.29Å; L225-I229 PolarHBondContact O-N 3.22Å; T226-I229 PolarHBondContact O-N 3.24Å; F227-I229 PolarHBondContact O-N 3.25Å; I229-L231 VanDerWaalsContact C-N 3.33Å; I229-L231 PolarHBondContact O-N 2.98Å; I229-V232 PolarHBondContact O-N 2.92Å; I229-H233 WeakPolarHBondContact O-CB 3.44Å; I229-H233 PolarHBondContact O-N 3.26Å |
| 230 | L | 96.3 | Very high | 94.4 | Very high | 41 Ų | 41 | 50 Ų | 50 | 22% | 0.215 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.1 | -39.5 | -178.9 | -70.6 | 177.7 | 0 | 0 | 0 | 111.9 | T226 F227 E228 K234 L241 V246 P249 | T226-L230 HydrophobicContact CG2-CD1 4.04Å; T226-L230 HydrophobicContact CG2-CG 4.39Å; T226-L230 WeakPolarHBondContact O-CB 3.26Å; T226-L230 VanDerWaalsContact O-CG 3.26Å; T226-L230 WeakPolarHBondContact O-CG 3.49Å; T226-L230 PolarHBondContact O-N 3.03Å; F227-L230 PolarHBondContact O-N 3.32Å; E228-L230 PolarHBondContact O-N 2.88Å; L230-K234 VanDerWaalsContact O-CB 3.3Å; L230-K234 WeakPolarHBondContact O-CB 3.36Å; L230-K234 PolarHBondContact O-N 3.23Å; L230-L241 HydrophobicContact CD2-CD1 4.31Å; L230-V246 HydrophobicContact CB-CB 4.47Å; L230-V246 HydrophobicContact CB-CG1 3.97Å; L230-V246 HydrophobicContact CB-CG2 4.29Å; L230-P249 HydrophobicContact CD1-CG 4.18Å |
| 231 | L | 95.8 | Very high | 94.3 | Very high | 42 Ų | 42 | 52.7 Ų | 52.7 | 22% | 0.22 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.7 | -49.3 | 178.8 | -178.4 | 64.9 | 0 | 0 | 0 | 111 | F227 E228 I229 H233 K234 L235 V246 | F227-L231 HydrophobicContact CE1-CD2 4.12Å; F227-L231 HydrophobicContact CE2-CD2 4.48Å; F227-L231 HydrophobicContact CZ-CD2 3.81Å; F227-L231 VanDerWaalsContact O-CB 3.24Å; F227-L231 WeakPolarHBondContact O-CB 3.46Å; F227-L231 PolarHBondContact O-N 3.45Å; E228-L231 PolarHBondContact O-N 3.4Å; I229-L231 VanDerWaalsContact C-N 3.33Å; I229-L231 PolarHBondContact O-N 2.98Å; L231-H233 PolarHBondContact O-N 2.96Å; L231-K234 PolarHBondContact O-N 2.9Å; L231-L235 HydrophobicContact CD1-CD1 4.14Å; L231-L235 HydrophobicContact CD1-CG 4.17Å; L231-L235 HydrophobicContact CG-CD1 3.9Å; L231-L235 HydrophobicContact CG-CG 4.33Å; L231-L235 WeakPolarHBondContact O-CB 3.43Å; L231-L235 VanDerWaalsContact O-CG 3.25Å; L231-L235 WeakPolarHBondContact O-CG 3.49Å; L231-L235 PolarHBondContact O-N 3.43Å; L231-V246 HydrophobicContact CB-CG1 4.1Å; L231-V246 HydrophobicContact CD1-CG1 4.34Å |
| 232 | V | 95.9 | Very high | 94.3 | Very high | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.012 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.5 | -48.9 | 178.5 | 167.3 | 0 | 0 | 0 | 0 | 111 | W168 L169 C172 W176 E228 I229 K234 L235 D236 | W168-V232 HydrophobicContact CB-CG1 4.46Å; L169-V232 VanDerWaalsContact CA-CG1 3.49Å; L169-V232 HydrophobicContact CB-CG1 3.86Å; L169-V232 HydrophobicContact CD1-CG1 4.01Å; C172-V232 HydrophobicContact CB-CG2 4.05Å; W176-V232 HydrophobicContact CZ2-CB 4.33Å; W176-V232 HydrophobicContact CZ2-CG1 4.46Å; W176-V232 HydrophobicContact CZ2-CG2 3.98Å; E228-V232 WeakPolarHBondContact O-CB 3.28Å; E228-V232 WeakPolarHBondContact O-CG2 3.36Å; E228-V232 PolarHBondContact O-N 2.93Å; I229-V232 PolarHBondContact O-N 2.92Å; V232-K234 VanDerWaalsContact C-N 3.28Å; V232-K234 PolarHBondContact O-N 3.49Å; V232-L235 PolarHBondContact O-N 3.17Å; V232-D236 PolarHBondContact O-N 3.37Å |
| 233 | H | 94.9 | Very high | 94.3 | Very high | 90 Ų | 90 | 54.1 Ų | 54.1 | 42% | 0.417 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60 | -38.6 | 177.6 | -84.1 | -156.3 | 0 | 0 | 0 | 112.6 | I229 L231 G237 H238 N239 | I229-H233 WeakPolarHBondContact O-CB 3.44Å; I229-H233 PolarHBondContact O-N 3.26Å; L231-H233 PolarHBondContact O-N 2.96Å; H233-G237 PolarHBondContact O-N 3.48Å; H233-H238 PolarHBondContact O-N 3.38Å; H233-N239 HydrophobicContact CB-CB 4.41Å |
| 234 | K | 94.8 | Very high | 94.2 | Very high | 29 Ų | 29 | 55.3 Ų | 55.3 | 13% | 0.126 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.4 | -43 | 176 | -177.1 | 165.6 | -176.4 | 170.9 | 0 | 111.8 | D33 L230 L231 V232 D236 G237 L241 S242 Y243 V246 | D33-K234 IonicContact OD1-NZ 3.71Å; L230-K234 VanDerWaalsContact O-CB 3.3Å; L230-K234 WeakPolarHBondContact O-CB 3.36Å; L230-K234 PolarHBondContact O-N 3.23Å; L231-K234 PolarHBondContact O-N 2.9Å; V232-K234 VanDerWaalsContact C-N 3.28Å; V232-K234 PolarHBondContact O-N 3.49Å; K234-D236 VanDerWaalsContact C-N 3.31Å; K234-D236 PolarHBondContact O-N 2.78Å; K234-G237 PolarHBondContact O-N 2.81Å; K234-L241 WeakPolarHBondContact CD-O 3.22Å; K234-L241 VanDerWaalsContact CE-O 3.23Å; K234-L241 WeakPolarHBondContact CE-O 3.33Å; K234-L241 PolarHBondContact NZ-O 3.44Å; K234-S242 VanDerWaalsContact NZ-C 3.29Å; K234-Y243 HydrophobicContact CD-CD1 3.91Å; K234-Y243 HydrophobicContact CD-CE1 3.76Å; K234-Y243 HydrophobicContact CD-CE2 4.46Å; K234-Y243 HydrophobicContact CD-CG 4.34Å; K234-Y243 VanDerWaalsContact CE-CE2 3.43Å; K234-Y243 VanDerWaalsContact CE-CZ 3.42Å; K234-Y243 HydrophobicContact CG-CE1 4.36Å; K234-Y243 VanDerWaalsContact NZ-CE2 3.34Å; K234-Y243 VanDerWaalsContact NZ-CG 3.26Å; K234-V246 HydrophobicContact CB-CG2 4.38Å; K234-V246 HydrophobicContact CD-CG2 3.76Å |
| 235 | L | 93.3 | Very high | 94.2 | Very high | 61 Ų | 61 | 56.2 Ų | 56.2 | 32% | 0.319 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.5 | -31.4 | 179.4 | -70.4 | 175.3 | 0 | 0 | 0 | 112.8 | W168 L231 V232 G237 | W168-L235 HydrophobicContact CB-CB 4.01Å; W168-L235 VanDerWaalsContact CD1-CB 3.45Å; W168-L235 HydrophobicContact CD2-CB 3.98Å; W168-L235 HydrophobicContact CD2-CD1 3.98Å; W168-L235 HydrophobicContact CE3-CD1 4.07Å; W168-L235 HydrophobicContact CG-CB 3.55Å; W168-L235 HydrophobicContact CG-CD1 4.24Å; W168-L235 PolarHBondContact NE1-O 2.89Å; L231-L235 HydrophobicContact CD1-CD1 4.14Å; L231-L235 HydrophobicContact CD1-CG 4.17Å; L231-L235 HydrophobicContact CG-CD1 3.9Å; L231-L235 HydrophobicContact CG-CG 4.33Å; L231-L235 WeakPolarHBondContact O-CB 3.43Å; L231-L235 VanDerWaalsContact O-CG 3.25Å; L231-L235 WeakPolarHBondContact O-CG 3.49Å; L231-L235 PolarHBondContact O-N 3.43Å; V232-L235 PolarHBondContact O-N 3.17Å; L235-G237 VanDerWaalsContact C-N 3.26Å |
| 236 | D | 93.6 | Very high | 94.2 | Very high | 39 Ų | 39 | 53.9 Ų | 53.9 | 21% | 0.209 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -2.1 | 172.3 | -78.6 | -32.6 | 0 | 0 | 0 | 113.5 | P167 W168 L169 V232 K234 H238 | P167-D236 WeakPolarHBondContact CA-OD1 3.36Å; W168-D236 VanDerWaalsContact CD1-OD1 3.26Å; W168-D236 PolarHBondContact N-OD1 3.21Å; W168-D236 PolarHBondContact N-OD2 2.87Å; L169-D236 PolarHBondContact N-OD2 2.65Å; L169-D236 VanDerWaalsContact N-OD2 3.17Å; V232-D236 PolarHBondContact O-N 3.37Å; K234-D236 VanDerWaalsContact C-N 3.31Å; K234-D236 PolarHBondContact O-N 2.78Å; D236-H238 VanDerWaalsContact C-N 3.34Å |
| 237 | G | 91.1 | Very high | 94.3 | Very high | 63 Ų | 63 | 51.9 Ų | 51.9 | 65% | 0.649 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 13.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | H233 K234 L235 N239 | H233-G237 PolarHBondContact O-N 3.48Å; K234-G237 PolarHBondContact O-N 2.81Å; L235-G237 VanDerWaalsContact C-N 3.26Å; G237-N239 VanDerWaalsContact C-N 3.32Å |
| 238 | H | 90.4 | Very high | 94.3 | Very high | 149 Ų | 149 | 53.9 Ų | 53.9 | 69% | 0.69 | 31% | 0.308 | S | S | * | . | trans | -81 | -12.7 | 177.3 | -64.8 | -54.9 | 0 | 0 | 0 | 113.5 | H233 D236 | H233-H238 PolarHBondContact O-N 3.38Å; D236-H238 VanDerWaalsContact C-N 3.34Å | ||
| 239 | N | 87.3 | Confident | 94.3 | Very high | 42 Ų | 42 | 54 Ų | 54 | 23% | 0.225 | 31% | 0.311 | C | S | . | . | trans | -132.5 | 134.3 | -174.6 | -168.4 | 4.3 | 0 | 0 | 0 | 112.5 | H233 G237 L241 | H233-N239 HydrophobicContact CB-CB 4.41Å; G237-N239 VanDerWaalsContact C-N 3.32Å; N239-L241 WeakPolarHBondContact ND2-CD1 3.38Å; N239-L241 WeakPolarHBondContact ND2-CG 3.32Å; N239-L241 VanDerWaalsContact OD1-CG 3.25Å; N239-L241 WeakPolarHBondContact OD1-CG 3.49Å; N239-L241 PolarHBondContact OD1-N 3.21Å | ||
| 240 | S | 89.8 | Confident | 94.4 | Very high | 126 Ų | 126 | 52 Ų | 52 | 88% | 0.881 | 30% | 0.301 | S | S | * | . | trans | -98.2 | 4 | 176.6 | 59.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 241 | L | 92.4 | Very high | 94.5 | Very high | 73 Ų | 73 | 52.2 Ų | 52.2 | 38% | 0.382 | 30% | 0.298 | S | S | . | . | trans | -53.3 | 147.2 | 173.9 | -72.9 | -178.6 | 0 | 0 | 0 | 111.5 | L230 K234 N239 C245 V246 | L230-L241 HydrophobicContact CD2-CD1 4.31Å; K234-L241 WeakPolarHBondContact CD-O 3.22Å; K234-L241 VanDerWaalsContact CE-O 3.23Å; K234-L241 WeakPolarHBondContact CE-O 3.33Å; K234-L241 PolarHBondContact NZ-O 3.44Å; N239-L241 WeakPolarHBondContact ND2-CD1 3.38Å; N239-L241 WeakPolarHBondContact ND2-CG 3.32Å; N239-L241 VanDerWaalsContact OD1-CG 3.25Å; N239-L241 WeakPolarHBondContact OD1-CG 3.49Å; N239-L241 PolarHBondContact OD1-N 3.21Å; L241-C245 HydrophobicContact CB-CB 4.48Å; L241-V246 HydrophobicContact CB-CG2 4.3Å | ||
| 242 | S | 94.6 | Very high | 94.5 | Very high | 45 Ų | 45 | 54.5 Ų | 54.5 | 32% | 0.315 | 31% | 0.31 | S | S | . | . | trans | -64.2 | 152.9 | 171.5 | 64.9 | 0 | 0 | 0 | 0 | 111.5 | D33 K234 V244 C245 V246 | D33-S242 WeakPolarHBondContact OD2-CB 3.38Å; K234-S242 VanDerWaalsContact NZ-C 3.29Å; S242-V244 PolarHBondContact O-N 2.94Å; S242-C245 PolarHBondContact O-N 3.39Å; S242-C245 PolarHBondContact OG-N 2.61Å; S242-C245 PolarHBondContact OG-SG 3.28Å; S242-V246 WeakPolarHBondContact O-CG2 3.37Å; S242-V246 PolarHBondContact O-N 2.95Å; S242-V246 VanDerWaalsContact O-N 3.1Å | ||
| 243 | Y | 95.4 | Very high | 94.5 | Very high | 55 Ų | 55 | 54.5 Ų | 54.5 | 22% | 0.216 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.6 | -33.8 | 177 | -77.4 | -76.9 | 0 | 0 | 0 | 111.1 | L32 D33 K234 C245 V246 F247 | L32-Y243 HydrophobicContact CB-CD1 4.31Å; L32-Y243 HydrophobicContact CB-CD2 3.44Å; L32-Y243 VanDerWaalsContact CB-CD2 3.44Å; L32-Y243 HydrophobicContact CB-CE2 3.91Å; L32-Y243 HydrophobicContact CB-CG 3.67Å; L32-Y243 HydrophobicContact CD1-CD1 3.88Å; L32-Y243 HydrophobicContact CD1-CD2 4.48Å; L32-Y243 HydrophobicContact CD1-CE1 4.13Å; L32-Y243 HydrophobicContact CD1-CG 4.06Å; D33-Y243 WeakPolarHBondContact OD1-CB 3.44Å; D33-Y243 WeakPolarHBondContact OD1-CD2 3.47Å; D33-Y243 PolarHBondContact OD1-N 3.47Å; D33-Y243 PolarHBondContact OD2-N 3.46Å; K234-Y243 HydrophobicContact CD-CD1 3.91Å; K234-Y243 HydrophobicContact CD-CE1 3.76Å; K234-Y243 HydrophobicContact CD-CE2 4.46Å; K234-Y243 HydrophobicContact CD-CG 4.34Å; K234-Y243 VanDerWaalsContact CE-CE2 3.43Å; K234-Y243 VanDerWaalsContact CE-CZ 3.42Å; K234-Y243 HydrophobicContact CG-CE1 4.36Å; K234-Y243 VanDerWaalsContact NZ-CE2 3.34Å; K234-Y243 VanDerWaalsContact NZ-CG 3.26Å; Y243-C245 PolarHBondContact O-N 3.29Å; Y243-V246 PolarHBondContact O-N 3.47Å; Y243-F247 HydrophobicContact CD1-CE2 4.28Å; Y243-F247 WeakPolarHBondContact O-CB 3.45Å; Y243-F247 WeakPolarHBondContact O-CD2 3.2Å; Y243-F247 PolarHBondContact O-N 2.78Å |
| 244 | V | 95.9 | Very high | 94.5 | Very high | 39 Ų | 39 | 50.8 Ų | 50.8 | 24% | 0.236 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -53.2 | -53 | 170 | 165.8 | 0 | 0 | 0 | 0 | 110.8 | L30 D33 S242 V246 F247 V248 W251 | L30-V244 HydrophobicContact CD2-CG2 3.84Å; D33-V244 WeakPolarHBondContact OD2-CG2 3.22Å; D33-V244 PolarHBondContact OD2-N 3.22Å; S242-V244 PolarHBondContact O-N 2.94Å; V244-V246 VanDerWaalsContact C-N 3.31Å; V244-V246 PolarHBondContact O-N 3.15Å; V244-F247 PolarHBondContact O-N 3.23Å; V244-F247 VanDerWaalsContact O-N 3.1Å; V244-V248 WeakPolarHBondContact O-CG2 3.35Å; V244-V248 PolarHBondContact O-N 3.49Å; V244-V248 VanDerWaalsContact O-N 3.1Å; V244-W251 HydrophobicContact CB-CH2 4.4Å; V244-W251 HydrophobicContact CG1-CH2 3.87Å; V244-W251 HydrophobicContact CG1-CZ3 4.21Å; V244-W251 HydrophobicContact CG2-CH2 4.48Å |
| 245 | C | 95.8 | Very high | 94.6 | Very high | 62 Ų | 62 | 53.9 Ų | 53.9 | 42% | 0.419 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.4 | -37.7 | 179.2 | -71 | 0 | 0 | 0 | 0 | 112.7 | L241 S242 Y243 F247 | L241-C245 HydrophobicContact CB-CB 4.48Å; S242-C245 PolarHBondContact O-N 3.39Å; S242-C245 PolarHBondContact OG-N 2.61Å; S242-C245 PolarHBondContact OG-SG 3.28Å; Y243-C245 PolarHBondContact O-N 3.29Å; C245-F247 VanDerWaalsContact C-N 3.3Å; C245-F247 PolarHBondContact O-N 3.04Å |
| 246 | V | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.6 | -37 | 175.6 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | F227 L230 L231 K234 L241 S242 Y243 V244 P249 | F227-V246 HydrophobicContact CD2-CG1 4.45Å; F227-V246 WeakPolarHBondContact CD2-O 3.48Å; F227-V246 HydrophobicContact CE2-CG1 4.45Å; L230-V246 HydrophobicContact CB-CB 4.47Å; L230-V246 HydrophobicContact CB-CG1 3.97Å; L230-V246 HydrophobicContact CB-CG2 4.29Å; L231-V246 HydrophobicContact CB-CG1 4.1Å; L231-V246 HydrophobicContact CD1-CG1 4.34Å; K234-V246 HydrophobicContact CB-CG2 4.38Å; K234-V246 HydrophobicContact CD-CG2 3.76Å; L241-V246 HydrophobicContact CB-CG2 4.3Å; S242-V246 WeakPolarHBondContact O-CG2 3.37Å; S242-V246 PolarHBondContact O-N 2.95Å; S242-V246 VanDerWaalsContact O-N 3.1Å; Y243-V246 PolarHBondContact O-N 3.47Å; V244-V246 VanDerWaalsContact C-N 3.31Å; V244-V246 PolarHBondContact O-N 3.15Å; V246-P249 WeakPolarHBondContact O-CD 3.46Å |
| 247 | F | 97.1 | Very high | 94.5 | Very high | 15 Ų | 15 | 52 Ų | 52 | 7% | 0.066 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -84.9 | -15.4 | -176 | -84.8 | -116.4 | 0 | 0 | 0 | 114.6 | L28 F227 Y243 V244 C245 L250 W251 | L28-F247 HydrophobicContact CD2-CE1 4.35Å; L28-F247 HydrophobicContact CD2-CZ 4.26Å; F227-F247 HydrophobicContact CE2-CD1 4.08Å; F227-F247 AromaticContact CE2-CD2 3.83Å; F227-F247 HydrophobicContact CE2-CD2 3.83Å; F227-F247 HydrophobicContact CE2-CE1 4.17Å; F227-F247 AromaticContact CE2-CE2 3.95Å; F227-F247 HydrophobicContact CE2-CE2 3.95Å; F227-F247 AromaticContact CE2-CG 3.91Å; F227-F247 HydrophobicContact CE2-CG 3.91Å; F227-F247 HydrophobicContact CE2-CZ 4.12Å; F227-F247 HydrophobicContact CZ-CE1 4.34Å; F227-F247 HydrophobicContact CZ-CE2 4.47Å; F227-F247 HydrophobicContact CZ-CZ 4.27Å; Y243-F247 HydrophobicContact CD1-CE2 4.28Å; Y243-F247 WeakPolarHBondContact O-CB 3.45Å; Y243-F247 WeakPolarHBondContact O-CD2 3.2Å; Y243-F247 PolarHBondContact O-N 2.78Å; V244-F247 PolarHBondContact O-N 3.23Å; V244-F247 VanDerWaalsContact O-N 3.1Å; C245-F247 VanDerWaalsContact C-N 3.3Å; C245-F247 PolarHBondContact O-N 3.04Å; F247-L250 HydrophobicContact CD1-CD2 3.93Å; F247-L250 HydrophobicContact CE1-CD2 4.2Å; F247-L250 WeakPolarHBondContact O-CB 3.47Å; F247-L250 PolarHBondContact O-N 3.48Å; F247-W251 HydrophobicContact CB-CZ2 3.81Å; F247-W251 PolarHBondContact O-N 3.09Å; F247-W251 VanDerWaalsContact O-N 3.11Å |
| 248 | V | 96.9 | Very high | 94.5 | Very high | 74 Ų | 74 | 50.3 Ų | 50.3 | 45% | 0.448 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -50.9 | -46.3 | 178.7 | 165.8 | 0 | 0 | 0 | 0 | 113.6 | V244 L250 W251 L252 | V244-V248 WeakPolarHBondContact O-CG2 3.35Å; V244-V248 PolarHBondContact O-N 3.49Å; V244-V248 VanDerWaalsContact O-N 3.1Å; V248-L250 VanDerWaalsContact C-N 3.3Å; V248-L250 PolarHBondContact O-N 3.23Å; V248-W251 HydrophobicContact CB-CE3 4.39Å; V248-W251 HydrophobicContact CG2-CE3 3.87Å; V248-W251 HydrophobicContact CG2-CZ3 3.76Å; V248-W251 WeakPolarHBondContact O-CB 3.3Å; V248-W251 PolarHBondContact O-N 3.36Å; V248-W251 VanDerWaalsContact O-N 3.14Å; V248-L252 PolarHBondContact O-N 3.5Å; V248-L252 VanDerWaalsContact O-N 3.11Å |
| 249 | P | 97.5 | Very high | 94.4 | Very high | 20 Ų | 20 | 46.1 Ų | 46.1 | 13% | 0.13 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.8 | -36.6 | 177.7 | -22.5 | 34.7 | 0 | 0 | 0 | 112.9 | P223 T226 F227 L230 V246 W251 L252 S253 | P223-P249 HydrophobicContact CB-CB 3.88Å; P223-P249 WeakPolarHBondContact CB-O 3.3Å; P223-P249 WeakPolarHBondContact O-CB 3.38Å; T226-P249 HydrophobicContact CG2-CB 4.34Å; T226-P249 HydrophobicContact CG2-CG 4Å; F227-P249 HydrophobicContact CB-CB 4.17Å; L230-P249 HydrophobicContact CD1-CG 4.18Å; V246-P249 WeakPolarHBondContact O-CD 3.46Å; P249-W251 VanDerWaalsContact C-N 3.33Å; P249-W251 PolarHBondContact O-N 2.99Å; P249-L252 WeakPolarHBondContact O-CB 3.35Å; P249-L252 PolarHBondContact O-N 3.05Å; P249-S253 PolarHBondContact O-N 3.14Å; P249-S253 VanDerWaalsContact O-N 3.16Å; P249-S253 PolarHBondContact O-OG 3.32Å |
| 250 | L | 97.3 | Very high | 94.4 | Very high | 26 Ų | 26 | 45.6 Ų | 45.6 | 14% | 0.136 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.7 | -41 | 174.5 | 173.7 | 65.4 | 0 | 0 | 0 | 111.4 | L224 F227 F247 V248 L252 S253 L254 | L224-L250 HydrophobicContact CD2-CD1 3.64Å; F227-L250 HydrophobicContact CB-CB 4.19Å; F227-L250 HydrophobicContact CD1-CB 4.25Å; F227-L250 HydrophobicContact CD2-CB 3.73Å; F227-L250 HydrophobicContact CD2-CD2 4.43Å; F227-L250 HydrophobicContact CE1-CD2 4.17Å; F227-L250 HydrophobicContact CE2-CB 4.14Å; F227-L250 HydrophobicContact CE2-CD2 4.01Å; F227-L250 HydrophobicContact CG-CB 3.79Å; F227-L250 HydrophobicContact CZ-CD2 3.86Å; F247-L250 HydrophobicContact CD1-CD2 3.93Å; F247-L250 HydrophobicContact CE1-CD2 4.2Å; F247-L250 WeakPolarHBondContact O-CB 3.47Å; F247-L250 PolarHBondContact O-N 3.48Å; V248-L250 VanDerWaalsContact C-N 3.3Å; V248-L250 PolarHBondContact O-N 3.23Å; L250-L252 VanDerWaalsContact C-N 3.32Å; L250-L252 PolarHBondContact O-N 2.92Å; L250-S253 PolarHBondContact O-N 3.07Å; L250-L254 HydrophobicContact CD1-CD1 4.14Å; L250-L254 HydrophobicContact CD1-CG 4.2Å; L250-L254 HydrophobicContact CG-CD1 3.95Å; L250-L254 HydrophobicContact CG-CG 4.42Å; L250-L254 WeakPolarHBondContact O-CG 3.22Å; L250-L254 PolarHBondContact O-N 3.48Å |
| 251 | W | 97.4 | Very high | 94.1 | Very high | 45 Ų | 45 | 39.6 Ų | 39.6 | 17% | 0.17 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.6 | -38.8 | 177.6 | -57.3 | -22.3 | 0 | 0 | 0 | 112.1 | L22 S25 V26 S29 V244 F247 V248 P249 L254 L255 | L22-W251 HydrophobicContact CD1-CB 3.81Å; L22-W251 HydrophobicContact CD1-CG 3.89Å; S25-W251 PolarHBondContact OG-NE1 3.04Å; V26-W251 HydrophobicContact CB-CZ2 4.33Å; V26-W251 HydrophobicContact CG2-CD2 4.16Å; V26-W251 HydrophobicContact CG2-CH2 4.49Å; V26-W251 HydrophobicContact CG2-CZ2 3.85Å; S29-W251 VanDerWaalsContact OG-CZ2 3.31Å; S29-W251 WeakPolarHBondContact OG-CZ2 3.46Å; V244-W251 HydrophobicContact CB-CH2 4.4Å; V244-W251 HydrophobicContact CG1-CH2 3.87Å; V244-W251 HydrophobicContact CG1-CZ3 4.21Å; V244-W251 HydrophobicContact CG2-CH2 4.48Å; F247-W251 HydrophobicContact CB-CZ2 3.81Å; F247-W251 PolarHBondContact O-N 3.09Å; F247-W251 VanDerWaalsContact O-N 3.11Å; V248-W251 HydrophobicContact CB-CE3 4.39Å; V248-W251 HydrophobicContact CG2-CE3 3.87Å; V248-W251 HydrophobicContact CG2-CZ3 3.76Å; V248-W251 WeakPolarHBondContact O-CB 3.3Å; V248-W251 PolarHBondContact O-N 3.36Å; V248-W251 VanDerWaalsContact O-N 3.14Å; P249-W251 VanDerWaalsContact C-N 3.33Å; P249-W251 PolarHBondContact O-N 2.99Å; W251-L254 PolarHBondContact O-N 3.3Å; W251-L255 WeakPolarHBondContact O-CB 3.41Å; W251-L255 VanDerWaalsContact O-CG 3.25Å; W251-L255 WeakPolarHBondContact O-CG 3.48Å; W251-L255 PolarHBondContact O-N 3.31Å |
| 252 | L | 96.8 | Very high | 93.5 | Very high | 90 Ų | 90 | 39.8 Ų | 39.8 | 47% | 0.471 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.6 | -45.3 | 174.8 | -179.6 | 60.2 | 0 | 0 | 0 | 111.5 | P223 V248 P249 L250 L255 T256 | P223-L252 HydrophobicContact CB-CB 4.36Å; P223-L252 HydrophobicContact CB-CD2 4.18Å; P223-L252 HydrophobicContact CB-CG 4.49Å; P223-L252 HydrophobicContact CG-CD2 3.71Å; P223-L252 HydrophobicContact CG-CG 4.17Å; V248-L252 PolarHBondContact O-N 3.5Å; V248-L252 VanDerWaalsContact O-N 3.11Å; P249-L252 WeakPolarHBondContact O-CB 3.35Å; P249-L252 PolarHBondContact O-N 3.05Å; L250-L252 VanDerWaalsContact C-N 3.32Å; L250-L252 PolarHBondContact O-N 2.92Å; L252-L255 PolarHBondContact O-N 3.21Å; L252-T256 WeakPolarHBondContact O-CB 3.48Å; L252-T256 PolarHBondContact O-N 3.43Å; L252-T256 PolarHBondContact O-OG1 3.32Å |
| 253 | S | 96.2 | Very high | 92.3 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.007 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.8 | -42.6 | 176 | -60.3 | 0 | 0 | 0 | 0 | 112.3 | I220 P223 L224 P249 L250 T256 L257 | I220-S253 WeakPolarHBondContact O-CB 3.46Å; I220-S253 PolarHBondContact O-OG 2.93Å; P223-S253 WeakPolarHBondContact CB-OG 3.43Å; L224-S253 PolarHBondContact N-OG 3.08Å; P249-S253 PolarHBondContact O-N 3.14Å; P249-S253 VanDerWaalsContact O-N 3.16Å; P249-S253 PolarHBondContact O-OG 3.32Å; L250-S253 PolarHBondContact O-N 3.07Å; S253-T256 PolarHBondContact O-N 3.22Å; S253-L257 WeakPolarHBondContact O-CB 3.38Å; S253-L257 WeakPolarHBondContact O-CG 3.49Å; S253-L257 PolarHBondContact O-N 3.12Å |
| 254 | L | 95.3 | Very high | 90.9 | Very high | 13 Ų | 13 | 40.3 Ų | 40.3 | 7% | 0.068 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.9 | -40.3 | 178.7 | -73.2 | 172.7 | 0 | 0 | 0 | 112.3 | L21 L22 L250 W251 T256 L257 M258 | L21-L254 HydrophobicContact CB-CD1 4.4Å; L21-L254 HydrophobicContact CB-CD2 4.2Å; L22-L254 HydrophobicContact CB-CB 4.37Å; L22-L254 HydrophobicContact CB-CD1 4.2Å; L22-L254 HydrophobicContact CD1-CB 4.16Å; L22-L254 HydrophobicContact CD1-CD1 4.24Å; L250-L254 HydrophobicContact CD1-CD1 4.14Å; L250-L254 HydrophobicContact CD1-CG 4.2Å; L250-L254 HydrophobicContact CG-CD1 3.95Å; L250-L254 HydrophobicContact CG-CG 4.42Å; L250-L254 WeakPolarHBondContact O-CG 3.22Å; L250-L254 PolarHBondContact O-N 3.48Å; W251-L254 PolarHBondContact O-N 3.3Å; L254-T256 VanDerWaalsContact C-N 3.32Å; L254-L257 HydrophobicContact CD2-CD1 4.43Å; L254-L257 PolarHBondContact O-N 3.01Å; L254-M258 VanDerWaalsContact O-CG 3.32Å; L254-M258 WeakPolarHBondContact O-CG 3.33Å; L254-M258 PolarHBondContact O-N 3.42Å |
| 255 | L | 95.3 | Very high | 89.1 | Confident | 93 Ų | 93 | 46.9 Ų | 46.9 | 49% | 0.487 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 174 | -74.9 | 170.6 | 0 | 0 | 0 | 111.5 | L22 W251 L252 M258 A259 | L22-L255 HydrophobicContact CD2-CD2 3.68Å; L22-L255 HydrophobicContact CD2-CG 4.14Å; W251-L255 WeakPolarHBondContact O-CB 3.41Å; W251-L255 VanDerWaalsContact O-CG 3.25Å; W251-L255 WeakPolarHBondContact O-CG 3.48Å; W251-L255 PolarHBondContact O-N 3.31Å; L252-L255 PolarHBondContact O-N 3.21Å; L255-M258 HydrophobicContact CD2-SD 4.45Å; L255-M258 WeakPolarHBondContact O-CB 3.43Å; L255-M258 PolarHBondContact O-N 3.26Å; L255-A259 PolarHBondContact O-N 2.98Å |
| 256 | T | 93.1 | Very high | 87.2 | Confident | 24 Ų | 24 | 46.6 Ų | 46.6 | 15% | 0.147 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.1 | -44.7 | 174.9 | -53.9 | 0 | 0 | 0 | 0 | 110.7 | T219 I220 L252 S253 L254 M258 A259 T260 | T219-T256 WeakPolarHBondContact OG1-CG2 3.47Å; I220-T256 HydrophobicContact CD1-CG2 4.12Å; I220-T256 HydrophobicContact CG1-CG2 3.66Å; L252-T256 WeakPolarHBondContact O-CB 3.48Å; L252-T256 PolarHBondContact O-N 3.43Å; L252-T256 PolarHBondContact O-OG1 3.32Å; S253-T256 PolarHBondContact O-N 3.22Å; L254-T256 VanDerWaalsContact C-N 3.32Å; T256-M258 VanDerWaalsContact C-N 3.34Å; T256-M258 PolarHBondContact O-N 2.94Å; T256-A259 WeakPolarHBondContact O-CB 3.45Å; T256-A259 PolarHBondContact O-N 3.32Å; T256-A259 VanDerWaalsContact O-N 3.13Å; T256-T260 WeakPolarHBondContact O-CG2 3.44Å; T256-T260 PolarHBondContact O-N 3.41Å |
| 257 | L | 91.8 | Very high | 85.2 | Confident | 36 Ų | 36 | 48.1 Ų | 48.1 | 19% | 0.188 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.7 | -44.1 | 174.1 | -77.8 | 168.7 | 0 | 0 | 0 | 111.8 | Y18 I220 S253 L254 A259 T260 T261 | Y18-L257 HydrophobicContact CD1-CB 4.27Å; Y18-L257 HydrophobicContact CD1-CD1 4.38Å; Y18-L257 HydrophobicContact CD2-CB 3.82Å; Y18-L257 HydrophobicContact CE1-CB 4.32Å; Y18-L257 HydrophobicContact CE1-CD1 4.15Å; Y18-L257 HydrophobicContact CE2-CB 3.85Å; Y18-L257 HydrophobicContact CE2-CD2 4.48Å; Y18-L257 HydrophobicContact CG-CB 4.04Å; I220-L257 HydrophobicContact CD1-CD2 3.74Å; I220-L257 HydrophobicContact CD1-CG 4.09Å; I220-L257 HydrophobicContact CG1-CD2 4.38Å; I220-L257 HydrophobicContact CG1-CG 4.22Å; I220-L257 HydrophobicContact CG2-CD1 4.5Å; I220-L257 HydrophobicContact CG2-CD2 4.43Å; I220-L257 HydrophobicContact CG2-CG 4.34Å; S253-L257 WeakPolarHBondContact O-CB 3.38Å; S253-L257 WeakPolarHBondContact O-CG 3.49Å; S253-L257 PolarHBondContact O-N 3.12Å; L254-L257 HydrophobicContact CD2-CD1 4.43Å; L254-L257 PolarHBondContact O-N 3.01Å; L257-A259 PolarHBondContact O-N 3.5Å; L257-T260 WeakPolarHBondContact CA-OG1 3.13Å; L257-T260 PolarHBondContact O-N 3.18Å; L257-T260 PolarHBondContact O-OG1 2.87Å; L257-T261 WeakPolarHBondContact O-CG2 3.29Å; L257-T261 PolarHBondContact O-N 2.93Å |
| 258 | M | 91.1 | Very high | 83.4 | Confident | 28 Ų | 28 | 51.1 Ų | 51.1 | 14% | 0.138 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.7 | -46.4 | 172.5 | -73 | 175.5 | 64.4 | 0 | 0 | 111.7 | F15 Y18 S19 L22 L254 L255 T256 T260 T261 | F15-M258 HydrophobicContact CD2-CB 4.36Å; F15-M258 HydrophobicContact CD2-CE 4.27Å; F15-M258 HydrophobicContact CE1-CE 4.43Å; F15-M258 HydrophobicContact CE2-CB 4.29Å; F15-M258 HydrophobicContact CE2-CE 3.51Å; F15-M258 HydrophobicContact CZ-CE 3.61Å; Y18-M258 VanDerWaalsContact CB-CG 3.45Å; Y18-M258 HydrophobicContact CG-CG 4.47Å; S19-M258 VanDerWaalsContact OG-CE 3.22Å; S19-M258 WeakPolarHBondContact OG-CE 3.45Å; L22-M258 HydrophobicContact CD2-SD 3.84Å; L254-M258 VanDerWaalsContact O-CG 3.32Å; L254-M258 WeakPolarHBondContact O-CG 3.33Å; L254-M258 PolarHBondContact O-N 3.42Å; L255-M258 HydrophobicContact CD2-SD 4.45Å; L255-M258 WeakPolarHBondContact O-CB 3.43Å; L255-M258 PolarHBondContact O-N 3.26Å; T256-M258 VanDerWaalsContact C-N 3.34Å; T256-M258 PolarHBondContact O-N 2.94Å; M258-T260 VanDerWaalsContact C-N 3.29Å; M258-T260 PolarHBondContact O-N 3.47Å; M258-T261 WeakPolarHBondContact O-CB 3.35Å; M258-T261 PolarHBondContact O-N 3.14Å; M258-T261 VanDerWaalsContact O-N 3.12Å; M258-T261 PolarHBondContact O-OG1 2.97Å |
| 259 | A | 89.3 | Confident | 81.4 | Confident | 62 Ų | 62 | 52.5 Ų | 52.5 | 51% | 0.512 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.1 | -37.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L255 T256 L257 T261 F262 | L255-A259 PolarHBondContact O-N 2.98Å; T256-A259 WeakPolarHBondContact O-CB 3.45Å; T256-A259 PolarHBondContact O-N 3.32Å; T256-A259 VanDerWaalsContact O-N 3.13Å; L257-A259 PolarHBondContact O-N 3.5Å; A259-T261 PolarHBondContact O-N 3.28Å; A259-F262 WeakPolarHBondContact O-CD2 3.38Å; A259-F262 PolarHBondContact O-N 3.07Å |
| 260 | T | 86.7 | Confident | 79.3 | Confident | 30 Ų | 30 | 51.8 Ų | 51.8 | 18% | 0.184 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -71.5 | -12.1 | 177.5 | 63.5 | 0 | 0 | 0 | 0 | 114.3 | T256 L257 M258 F262 Q264 | T256-T260 WeakPolarHBondContact O-CG2 3.44Å; T256-T260 PolarHBondContact O-N 3.41Å; L257-T260 WeakPolarHBondContact CA-OG1 3.13Å; L257-T260 PolarHBondContact O-N 3.18Å; L257-T260 PolarHBondContact O-OG1 2.87Å; M258-T260 VanDerWaalsContact C-N 3.29Å; M258-T260 PolarHBondContact O-N 3.47Å; T260-F262 PolarHBondContact O-N 3.39Å; T260-Q264 VanDerWaalsContact O-CG 3.23Å; T260-Q264 WeakPolarHBondContact O-CG 3.21Å; T260-Q264 PolarHBondContact O-NE2 3.4Å |
| 261 | T | 84 | Confident | 77.6 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -17 | 175 | 66.4 | 0 | 0 | 0 | 0 | 113.2 | N11 K14 F15 Y18 L257 M258 A259 | N11-T261 PolarHBondContact N-O 2.96Å; K14-T261 HydrophobicContact CB-CG2 3.81Å; F15-T261 HydrophobicContact CB-CG2 4.31Å; F15-T261 WeakPolarHBondContact CD2-OG1 3.4Å; Y18-T261 HydrophobicContact CD2-CG2 3.67Å; Y18-T261 HydrophobicContact CE2-CG2 3.65Å; L257-T261 WeakPolarHBondContact O-CG2 3.29Å; L257-T261 PolarHBondContact O-N 2.93Å; M258-T261 WeakPolarHBondContact O-CB 3.35Å; M258-T261 PolarHBondContact O-N 3.14Å; M258-T261 VanDerWaalsContact O-N 3.12Å; M258-T261 PolarHBondContact O-OG1 2.97Å; A259-T261 PolarHBondContact O-N 3.28Å |
| 262 | F | 79.9 | Confident | 75.7 | Confident | 78 Ų | 78 | 52.5 Ų | 52.5 | 34% | 0.342 | 30% | 0.298 | S | S | . | . | B | Isolated β-bridge | trans | -85 | 110.2 | 169.6 | -57.2 | -85.3 | 0 | 0 | 0 | 108.1 | L6 F10 F15 A259 T260 | L6-F262 HydrophobicContact CD2-CB 4.37Å; L6-F262 HydrophobicContact CD2-CD1 3.93Å; L6-F262 HydrophobicContact CD2-CG 4.44Å; L6-F262 HydrophobicContact CG-CB 4.47Å; F10-F262 AromaticContact CD2-CD1 3.5Å; F10-F262 HydrophobicContact CD2-CD1 3.5Å; F10-F262 AromaticContact CD2-CE1 3.49Å; F10-F262 HydrophobicContact CD2-CE1 3.49Å; F10-F262 VanDerWaalsContact CD2-CE1 3.49Å; F10-F262 HydrophobicContact CD2-CG 4.19Å; F10-F262 HydrophobicContact CD2-CZ 4.16Å; F10-F262 AromaticContact CE2-CD1 4Å; F10-F262 HydrophobicContact CE2-CD1 4Å; F10-F262 AromaticContact CE2-CE1 3.53Å; F10-F262 HydrophobicContact CE2-CE1 3.53Å; F10-F262 HydrophobicContact CE2-CE2 4.42Å; F10-F262 AromaticContact CE2-CZ 3.77Å; F10-F262 HydrophobicContact CE2-CZ 3.77Å; F10-F262 HydrophobicContact CG-CD1 4.38Å; F10-F262 HydrophobicContact CG-CE1 4.41Å; F10-F262 HydrophobicContact CZ-CE1 4.47Å; F15-F262 HydrophobicContact CD2-CE2 4.11Å; F15-F262 HydrophobicContact CD2-CZ 4.17Å; F15-F262 AromaticContact CE2-CE2 3.94Å; F15-F262 HydrophobicContact CE2-CE2 3.94Å; F15-F262 AromaticContact CE2-CZ 3.91Å; F15-F262 HydrophobicContact CE2-CZ 3.91Å; A259-F262 WeakPolarHBondContact O-CD2 3.38Å; A259-F262 PolarHBondContact O-N 3.07Å; T260-F262 PolarHBondContact O-N 3.39Å |
| 263 | G | 68.1 | Low | 73.7 | Confident | 46 Ų | 46 | 48.9 Ų | 48.9 | 47% | 0.474 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 105.4 | 2.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | D9 | D9-G263 CarbonylContact O-C 3.55Å; D9-G263 PolarHBondContact O-N 3.21Å |
| 264 | Q | 65.7 | Low | 71.8 | Confident | 65 Ų | 65 | 50 Ų | 50 | 30% | 0.304 | 29% | 0.288 | S | S | . | . | trans | -93 | 104.6 | 173.2 | -83.1 | -179.5 | 10.7 | 0 | 0 | 110.5 | D9 T260 G266 | D9-Q264 CarbonylContact O-C 3.56Å; D9-Q264 PolarHBondContact O-N 3.2Å; D9-Q264 VanDerWaalsContact O-N 3.08Å; T260-Q264 VanDerWaalsContact O-CG 3.23Å; T260-Q264 WeakPolarHBondContact O-CG 3.21Å; T260-Q264 PolarHBondContact O-NE2 3.4Å; Q264-G266 PolarHBondContact O-N 3.33Å | ||
| 265 | K | 58.1 | Low | 69.9 | Low | 176 Ų | 176 | 53.9 Ų | 53.9 | 77% | 0.765 | 30% | 0.302 | S | S | * | . | trans | -61.6 | 132.9 | 165.9 | -70.3 | -179.1 | 179.5 | -178.4 | 0 | 109.8 | D9 | D9-K265 HydrophobicContact CB-CG 4.48Å; D9-K265 VanDerWaalsContact OD1-CE 3.3Å; D9-K265 WeakPolarHBondContact OD1-CE 3.27Å; D9-K265 VanDerWaalsContact OD1-CG 3.25Å; D9-K265 WeakPolarHBondContact OD1-CG 3.47Å | ||
| 266 | G | 56.3 | Low | 68 | Low | 56 Ų | 56 | 54.7 Ų | 54.7 | 58% | 0.577 | 30% | 0.302 | S | S | * | . | trans | 113.4 | 69.4 | 173 | 0 | 0 | 0 | 0 | 0 | 114.6 | N11 Q264 | N11-G266 PolarHBondContact ND2-O 3.26Å; Q264-G266 PolarHBondContact O-N 3.33Å | ||
| 267 | G | 56.3 | Low | 66.4 | Low | 32 Ų | 32 | 57.6 Ų | 57.6 | 33% | 0.33 | 32% | 0.317 | S | S | . | . | trans | -77.4 | 162.2 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | H269 | G267-H269 PolarHBondContact O-N 2.91Å; G267-H269 VanDerWaalsContact O-N 3.12Å | ||
| 268 | N | 58.6 | Low | 64.9 | Low | 78 Ų | 78 | 58.5 Ų | 58.5 | 42% | 0.417 | 32% | 0.319 | S | S | . | . | trans | -64 | 112.7 | 169.5 | -179.4 | -2.7 | 0 | 0 | 0 | 109.3 | W270 W271 | N268-W270 PolarHBondContact O-N 3.18Å; N268-W270 PolarHBondContact OD1-N 3.03Å; N268-W271 HydrophobicContact CB-CB 4.48Å; N268-W271 VanDerWaalsContact O-CB 3.27Å; N268-W271 WeakPolarHBondContact O-CB 3.45Å; N268-W271 PolarHBondContact O-N 3.05Å | ||
| 269 | H | 54 | Low | 63.3 | Low | 104 Ų | 104 | 57.9 Ų | 57.9 | 48% | 0.481 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -13.2 | 178.7 | -68.5 | -70.6 | 0 | 0 | 0 | 114 | E80 G267 I274 | E80-H269 IonicContact OE1-CD2 2.78Å; G267-H269 PolarHBondContact O-N 2.91Å; G267-H269 VanDerWaalsContact O-N 3.12Å; H269-I274 CarbonylContact O-C 3.56Å |
| 270 | W | 54.9 | Low | 62 | Low | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.015 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | 12.9 | 175.9 | -77.7 | 82.8 | 0 | 0 | 0 | 114.1 | G61 W65 E80 F81 M84 N268 F272 G273 | G61-W270 WeakPolarHBondContact O-CZ3 3.27Å; W65-W270 HydrophobicContact CB-CH2 4.44Å; W65-W270 AromaticContact CE3-CH2 3.86Å; W65-W270 HydrophobicContact CE3-CH2 3.86Å; W65-W270 HydrophobicContact CE3-CZ2 4.09Å; W65-W270 HydrophobicContact CZ3-CZ2 4.46Å; E80-W270 PolarHBondContact OE2-NE1 3.21Å; F81-W270 HydrophobicContact CD2-CZ3 4.49Å; M84-W270 HydrophobicContact SD-CB 3.95Å; M84-W270 HydrophobicContact SD-CE3 4.25Å; N268-W270 PolarHBondContact O-N 3.18Å; N268-W270 PolarHBondContact OD1-N 3.03Å; W270-F272 PolarHBondContact O-N 3.16Å; W270-G273 PolarHBondContact O-N 3.41Å |
| 271 | W | 60.8 | Low | 60.7 | Low | 33 Ų | 33 | 60.1 Ų | 60.1 | 13% | 0.125 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -58.4 | 108.5 | 171.8 | -172.8 | -106.3 | 0 | 0 | 0 | 110 | N268 G273 I274 F278 | N268-W271 HydrophobicContact CB-CB 4.48Å; N268-W271 VanDerWaalsContact O-CB 3.27Å; N268-W271 WeakPolarHBondContact O-CB 3.45Å; N268-W271 PolarHBondContact O-N 3.05Å; W271-G273 PolarHBondContact O-N 3.24Å; W271-I274 VanDerWaalsContact O-CB 3.31Å; W271-I274 WeakPolarHBondContact O-CB 3.4Å; W271-I274 WeakPolarHBondContact O-CG1 3.44Å; W271-I274 PolarHBondContact O-N 2.9Å; W271-F278 AromaticContact CD1-CD2 4Å |
| 272 | F | 57.9 | Low | 59.6 | Low | 53 Ų | 53 | 62.6 Ų | 62.6 | 23% | 0.232 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | 54.9 | 25.3 | -169.5 | -64.1 | -78.9 | 0 | 0 | 0 | 115.2 | L53 I56 V60 W270 I274 | L53-F272 HydrophobicContact CD2-CZ 3.87Å; I56-F272 HydrophobicContact CB-CE1 4.38Å; I56-F272 HydrophobicContact CG2-CD1 4.48Å; I56-F272 HydrophobicContact CG2-CE1 3.9Å; V60-F272 WeakPolarHBondContact CG1-O 3.28Å; W270-F272 PolarHBondContact O-N 3.16Å; F272-I274 HydrophobicContact CB-CD1 3.92Å; F272-I274 HydrophobicContact CB-CG1 4.07Å; F272-I274 PolarHBondContact O-N 2.81Å |
| 273 | G | 54.2 | Low | 58.8 | Low | 14 Ų | 14 | 61.8 Ų | 61.8 | 14% | 0.144 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | 65.2 | 13.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | W270 W271 R275 | W270-G273 PolarHBondContact O-N 3.41Å; W271-G273 PolarHBondContact O-N 3.24Å; G273-R275 PolarHBondContact O-N 3.4Å |
| 274 | I | 55.7 | Low | 58.5 | Low | 24 Ų | 24 | 64.7 Ų | 64.7 | 12% | 0.123 | 33% | 0.327 | C | S | . | . | trans | -78.5 | 102.4 | 178.5 | -59.3 | 166.2 | 0 | 0 | 0 | 107.8 | H269 W271 F272 K276 F278 F281 | H269-I274 CarbonylContact O-C 3.56Å; W271-I274 VanDerWaalsContact O-CB 3.31Å; W271-I274 WeakPolarHBondContact O-CB 3.4Å; W271-I274 WeakPolarHBondContact O-CG1 3.44Å; W271-I274 PolarHBondContact O-N 2.9Å; F272-I274 HydrophobicContact CB-CD1 3.92Å; F272-I274 HydrophobicContact CB-CG1 4.07Å; F272-I274 PolarHBondContact O-N 2.81Å; I274-K276 HydrophobicContact CG2-CB 4.23Å; I274-K276 WeakPolarHBondContact CG2-O 3.31Å; I274-K276 PolarHBondContact O-N 3.14Å; I274-K276 VanDerWaalsContact O-N 3.1Å; I274-F278 HydrophobicContact CD1-CD2 4.33Å; I274-F281 HydrophobicContact CD1-CD1 3.56Å; I274-F281 HydrophobicContact CD1-CD2 4.25Å; I274-F281 HydrophobicContact CD1-CE1 3.64Å; I274-F281 HydrophobicContact CD1-CE2 4.32Å; I274-F281 HydrophobicContact CD1-CG 3.87Å; I274-F281 HydrophobicContact CD1-CZ 4.03Å; I274-F281 HydrophobicContact CG1-CD1 4.43Å; I274-F281 HydrophobicContact CG1-CD2 4.26Å; I274-F281 HydrophobicContact CG1-CE1 4.5Å; I274-F281 HydrophobicContact CG1-CE2 4.33Å; I274-F281 HydrophobicContact CG1-CG 4.3Å; I274-F281 HydrophobicContact CG1-CZ 4.45Å; I274-F281 HydrophobicContact CG2-CB 3.68Å; I274-F281 HydrophobicContact CG2-CD2 3.95Å; I274-F281 HydrophobicContact CG2-CG 3.81Å | ||
| 275 | R | 56.4 | Low | 58.3 | Low | 95 Ų | 95 | 67 Ų | 67 | 36% | 0.358 | 34% | 0.341 | S | S | . | . | trans | -77.9 | 20 | 177.6 | -60.5 | -176.1 | 177.2 | -151.6 | -6.5 | 114.2 | Y71 G273 | Y71-R275 VanDerWaalsContact CD1-NH1 3.32Å; Y71-R275 VanDerWaalsContact CE1-NH2 3.29Å; G273-R275 PolarHBondContact O-N 3.4Å | ||
| 276 | K | 55.2 | Low | 58.3 | Low | 111 Ų | 111 | 61.9 Ų | 61.9 | 48% | 0.483 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -128.4 | 159.4 | -179.3 | -67.2 | -174.5 | -179.2 | 179.5 | 0 | 108.7 | I274 F278 E284 | I274-K276 HydrophobicContact CG2-CB 4.23Å; I274-K276 WeakPolarHBondContact CG2-O 3.31Å; I274-K276 PolarHBondContact O-N 3.14Å; I274-K276 VanDerWaalsContact O-N 3.1Å; K276-F278 PolarHBondContact O-N 3.29Å; K276-E284 IonicContact NZ-OE1 3.59Å; K276-E284 PolarHBondContact NZ-OE1 3.05Å; K276-E284 IonicContact NZ-OE2 3.47Å; K276-E284 PolarHBondContact NZ-OE2 3.37Å |
| 277 | D | 58.8 | Low | 58.4 | Low | 85 Ų | 85 | 63 Ų | 63 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | trans | -55.5 | 130.7 | 169.9 | -61.8 | -41 | 0 | 0 | 0 | 109.5 | C279 H280 F281 | D277-C279 PolarHBondContact O-N 3.04Å; D277-C279 VanDerWaalsContact O-N 3.15Å; D277-H280 HydrophobicContact CB-CB 4.28Å; D277-H280 WeakPolarHBondContact O-CA 3.45Å; D277-H280 VanDerWaalsContact O-CB 3.31Å; D277-H280 WeakPolarHBondContact O-CB 3.42Å; D277-H280 PolarHBondContact O-N 3.46Å; D277-H280 IonicContact OD2-CD2 3.57Å; D277-F281 PolarHBondContact O-N 3.23Å | ||
| 278 | F | 60.8 | Low | 58.4 | Low | 55 Ų | 55 | 68.4 Ų | 68.4 | 24% | 0.241 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57.3 | -34.4 | -173.4 | 177.5 | -105.9 | 0 | 0 | 0 | 112.8 | P12 W271 I274 K276 F281 L282 | P12-F278 HydrophobicContact CB-CD1 3.43Å; P12-F278 VanDerWaalsContact CB-CD1 3.43Å; P12-F278 HydrophobicContact CB-CE1 3.57Å; P12-F278 HydrophobicContact CB-CG 3.99Å; P12-F278 HydrophobicContact CB-CZ 4.28Å; P12-F278 HydrophobicContact CG-CB 3.62Å; P12-F278 HydrophobicContact CG-CD1 3.48Å; P12-F278 VanDerWaalsContact CG-CD1 3.48Å; P12-F278 HydrophobicContact CG-CD2 4.23Å; P12-F278 HydrophobicContact CG-CE1 4.1Å; P12-F278 HydrophobicContact CG-CG 3.54Å; W271-F278 AromaticContact CD1-CD2 4Å; I274-F278 HydrophobicContact CD1-CD2 4.33Å; K276-F278 PolarHBondContact O-N 3.29Å; F278-F281 PolarHBondContact O-N 2.96Å; F278-L282 HydrophobicContact CD1-CD1 3.6Å; F278-L282 HydrophobicContact CE1-CD1 3.14Å; F278-L282 HydrophobicContact CE1-CG 4.15Å; F278-L282 HydrophobicContact CE2-CD1 4.41Å; F278-L282 HydrophobicContact CG-CD1 4.43Å; F278-L282 HydrophobicContact CZ-CD1 3.6Å; F278-L282 HydrophobicContact CZ-CG 4.21Å; F278-L282 WeakPolarHBondContact O-CB 3.38Å; F278-L282 PolarHBondContact O-N 3.48Å |
| 279 | C | 57 | Low | 58.3 | Low | 15 Ų | 15 | 69 Ų | 69 | 10% | 0.101 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.9 | -35.6 | 174.5 | -70.3 | 0 | 0 | 0 | 0 | 112.4 | F7 D277 L282 L283 | F7-C279 WeakPolarHBondContact O-CB 3.48Å; F7-C279 PolarHBondContact O-SG 3.11Å; D277-C279 PolarHBondContact O-N 3.04Å; D277-C279 VanDerWaalsContact O-N 3.15Å; C279-L282 PolarHBondContact O-N 3.5Å; C279-L283 WeakPolarHBondContact O-CB 3.39Å; C279-L283 WeakPolarHBondContact O-CD1 3.29Å; C279-L283 WeakPolarHBondContact O-CG 3.43Å; C279-L283 PolarHBondContact O-N 3.05Å |
| 280 | H | 61.8 | Low | 58.5 | Low | 74 Ų | 74 | 71.9 Ų | 71.9 | 34% | 0.343 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 170.4 | -91.3 | -71.7 | 0 | 0 | 0 | 111.6 | D277 L283 E284 | D277-H280 HydrophobicContact CB-CB 4.28Å; D277-H280 WeakPolarHBondContact O-CA 3.45Å; D277-H280 VanDerWaalsContact O-CB 3.31Å; D277-H280 WeakPolarHBondContact O-CB 3.42Å; D277-H280 PolarHBondContact O-N 3.46Å; D277-H280 IonicContact OD2-CD2 3.57Å; H280-L283 PolarHBondContact O-N 3.24Å; H280-E284 WeakPolarHBondContact O-CB 3.11Å; H280-E284 WeakPolarHBondContact O-CG 3.43Å; H280-E284 PolarHBondContact O-N 3.04Å |
| 281 | F | 60.4 | Low | 58.7 | Low | 65 Ų | 65 | 78.4 Ų | 78.4 | 29% | 0.285 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 173.8 | 174.4 | -97.5 | 0 | 0 | 0 | 112.4 | I274 D277 F278 L283 E284 L285 | I274-F281 HydrophobicContact CD1-CD1 3.56Å; I274-F281 HydrophobicContact CD1-CD2 4.25Å; I274-F281 HydrophobicContact CD1-CE1 3.64Å; I274-F281 HydrophobicContact CD1-CE2 4.32Å; I274-F281 HydrophobicContact CD1-CG 3.87Å; I274-F281 HydrophobicContact CD1-CZ 4.03Å; I274-F281 HydrophobicContact CG1-CD1 4.43Å; I274-F281 HydrophobicContact CG1-CD2 4.26Å; I274-F281 HydrophobicContact CG1-CE1 4.5Å; I274-F281 HydrophobicContact CG1-CE2 4.33Å; I274-F281 HydrophobicContact CG1-CG 4.3Å; I274-F281 HydrophobicContact CG1-CZ 4.45Å; I274-F281 HydrophobicContact CG2-CB 3.68Å; I274-F281 HydrophobicContact CG2-CD2 3.95Å; I274-F281 HydrophobicContact CG2-CG 3.81Å; D277-F281 PolarHBondContact O-N 3.23Å; F278-F281 PolarHBondContact O-N 2.96Å; F281-L283 PolarHBondContact O-N 3.41Å; F281-E284 PolarHBondContact O-N 3.19Å; F281-L285 HydrophobicContact CE1-CD2 4.08Å; F281-L285 HydrophobicContact CZ-CD1 4.27Å; F281-L285 HydrophobicContact CZ-CD2 4.22Å; F281-L285 WeakPolarHBondContact O-CB 3.24Å; F281-L285 PolarHBondContact O-N 3.21Å |
| 282 | L | 60.5 | Low | 58.6 | Low | 52 Ų | 52 | 86.2 Ų | 86.2 | 27% | 0.272 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 176.3 | -97 | 163.7 | 0 | 0 | 0 | 112.4 | F278 C279 E284 L285 L286 | F278-L282 HydrophobicContact CD1-CD1 3.6Å; F278-L282 HydrophobicContact CE1-CD1 3.14Å; F278-L282 HydrophobicContact CE1-CG 4.15Å; F278-L282 HydrophobicContact CE2-CD1 4.41Å; F278-L282 HydrophobicContact CG-CD1 4.43Å; F278-L282 HydrophobicContact CZ-CD1 3.6Å; F278-L282 HydrophobicContact CZ-CG 4.21Å; F278-L282 WeakPolarHBondContact O-CB 3.38Å; F278-L282 PolarHBondContact O-N 3.48Å; C279-L282 PolarHBondContact O-N 3.5Å; L282-E284 VanDerWaalsContact C-N 3.3Å; L282-E284 PolarHBondContact O-N 3.08Å; L282-L285 PolarHBondContact O-N 2.78Å; L282-L286 HydrophobicContact CD2-CD1 3.54Å; L282-L286 HydrophobicContact CD2-CG 4.44Å; L282-L286 VanDerWaalsContact O-CB 3.31Å; L282-L286 WeakPolarHBondContact O-CB 3.12Å; L282-L286 PolarHBondContact O-N 2.99Å |
| 283 | L | 62.6 | Low | 58.4 | Low | 61 Ų | 61 | 86 Ų | 86 | 32% | 0.319 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -69.5 | -26.9 | 176.6 | -69.7 | 168 | 0 | 0 | 0 | 112.6 | C279 H280 F281 L289 R290 | C279-L283 WeakPolarHBondContact O-CB 3.39Å; C279-L283 WeakPolarHBondContact O-CD1 3.29Å; C279-L283 WeakPolarHBondContact O-CG 3.43Å; C279-L283 PolarHBondContact O-N 3.05Å; H280-L283 PolarHBondContact O-N 3.24Å; F281-L283 PolarHBondContact O-N 3.41Å; L283-L289 HydrophobicContact CD2-CB 4.03Å; L283-R290 HydrophobicContact CD2-CB 4.49Å |
| 284 | E | 62.6 | Low | 58.6 | Low | 106 Ų | 106 | 90.8 Ų | 90.8 | 50% | 0.495 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -75.3 | -37.8 | 170.8 | -76.6 | 177.7 | -176.5 | 0 | 0 | 111.9 | K276 H280 F281 L282 | K276-E284 IonicContact NZ-OE1 3.59Å; K276-E284 PolarHBondContact NZ-OE1 3.05Å; K276-E284 IonicContact NZ-OE2 3.47Å; K276-E284 PolarHBondContact NZ-OE2 3.37Å; H280-E284 WeakPolarHBondContact O-CB 3.11Å; H280-E284 WeakPolarHBondContact O-CG 3.43Å; H280-E284 PolarHBondContact O-N 3.04Å; F281-E284 PolarHBondContact O-N 3.19Å; L282-E284 VanDerWaalsContact C-N 3.3Å; L282-E284 PolarHBondContact O-N 3.08Å |
| 285 | L | 61.6 | Low | 58.5 | Low | 114 Ų | 114 | 93.7 Ų | 93.7 | 60% | 0.597 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -80.5 | -29.5 | -178.3 | -158 | 77.8 | 0 | 0 | 0 | 113.1 | F281 L282 P287 | F281-L285 HydrophobicContact CE1-CD2 4.08Å; F281-L285 HydrophobicContact CZ-CD1 4.27Å; F281-L285 HydrophobicContact CZ-CD2 4.22Å; F281-L285 WeakPolarHBondContact O-CB 3.24Å; F281-L285 PolarHBondContact O-N 3.21Å; L282-L285 PolarHBondContact O-N 2.78Å; L285-P287 WeakPolarHBondContact O-CD 3.45Å |
| 286 | L | 57.8 | Low | 57.9 | Low | 68 Ų | 68 | 94.1 Ų | 94.1 | 36% | 0.356 | 48% | 0.475 | S | S | . | . | trans | -115.5 | 89.3 | -178.9 | -63.2 | 168.6 | 0 | 0 | 0 | 110.2 | L282 F288 L289 R290 | L282-L286 HydrophobicContact CD2-CD1 3.54Å; L282-L286 HydrophobicContact CD2-CG 4.44Å; L282-L286 VanDerWaalsContact O-CB 3.31Å; L282-L286 WeakPolarHBondContact O-CB 3.12Å; L282-L286 PolarHBondContact O-N 2.99Å; L286-F288 PolarHBondContact O-N 2.87Å; L286-F288 VanDerWaalsContact O-N 3.15Å; L286-L289 HydrophobicContact CB-CB 4.26Å; L286-L289 HydrophobicContact CB-CD1 4.46Å; L286-L289 HydrophobicContact CD1-CD1 4.32Å; L286-L289 HydrophobicContact CD1-CD2 4.38Å; L286-L289 PolarHBondContact O-N 3.2Å; L286-L289 VanDerWaalsContact O-N 3.13Å; L286-R290 PolarHBondContact O-N 2.95Å | ||
| 287 | P | 59.5 | Low | 57.3 | Low | 79 Ų | 79 | 98.6 Ų | 98.6 | 51% | 0.513 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.2 | -28.6 | -178.1 | 22.8 | -32.6 | 0 | 0 | 0 | 112.8 | L285 R290 E291 | L285-P287 WeakPolarHBondContact O-CD 3.45Å; P287-R290 WeakPolarHBondContact O-CB 3.4Å; P287-R290 PolarHBondContact O-N 3.28Å; P287-E291 PolarHBondContact O-N 3.22Å |
| 288 | F | 54.6 | Low | 56.3 | Low | 147 Ų | 147 | 101.2 Ų | 101.2 | 65% | 0.645 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.1 | -43.9 | 176.2 | -57.9 | -69.7 | 0 | 0 | 0 | 112.7 | L286 R290 E291 Y292 | L286-F288 PolarHBondContact O-N 2.87Å; L286-F288 VanDerWaalsContact O-N 3.15Å; F288-R290 PolarHBondContact O-N 3.37Å; F288-E291 PolarHBondContact O-N 3.25Å; F288-Y292 VanDerWaalsContact O-CD2 3.26Å; F288-Y292 WeakPolarHBondContact O-CD2 3.5Å; F288-Y292 PolarHBondContact O-N 3.22Å |
| 289 | L | 56.8 | Low | 55.3 | Low | 91 Ų | 91 | 106.3 Ų | 106.3 | 48% | 0.476 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.7 | -29.3 | 176.5 | -99.2 | 74.4 | 0 | 0 | 0 | 111.8 | L283 L286 Y292 G293 | L283-L289 HydrophobicContact CD2-CB 4.03Å; L286-L289 HydrophobicContact CB-CB 4.26Å; L286-L289 HydrophobicContact CB-CD1 4.46Å; L286-L289 HydrophobicContact CD1-CD1 4.32Å; L286-L289 HydrophobicContact CD1-CD2 4.38Å; L286-L289 PolarHBondContact O-N 3.2Å; L286-L289 VanDerWaalsContact O-N 3.13Å; L289-Y292 PolarHBondContact O-N 3.41Å; L289-G293 PolarHBondContact O-N 2.93Å |
| 290 | R | 57.8 | Low | 54.4 | Low | 164 Ų | 164 | 112.9 Ų | 112.9 | 62% | 0.619 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.5 | -39.4 | 175.2 | -172.5 | 178.7 | 178 | 176.4 | -0 | 112.1 | L283 L286 P287 F288 N294 | L283-R290 HydrophobicContact CD2-CB 4.49Å; L286-R290 PolarHBondContact O-N 2.95Å; P287-R290 WeakPolarHBondContact O-CB 3.4Å; P287-R290 PolarHBondContact O-N 3.28Å; F288-R290 PolarHBondContact O-N 3.37Å; R290-N294 WeakPolarHBondContact O-CB 3.49Å; R290-N294 PolarHBondContact O-N 3.14Å |
| 291 | E | 59.9 | Low | 53.2 | Low | 140 Ų | 140 | 121.3 Ų | 121.3 | 65% | 0.654 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65.6 | -44.4 | 173.9 | -78.5 | 178.8 | 159.5 | 0 | 0 | 111.8 | P287 F288 G293 N294 | P287-E291 PolarHBondContact O-N 3.22Å; F288-E291 PolarHBondContact O-N 3.25Å; E291-G293 PolarHBondContact O-N 3.17Å; E291-N294 PolarHBondContact O-N 3.42Å |
| 292 | Y | 59.5 | Low | 52 | Low | 197 Ų | 197 | 122.4 Ų | 122.4 | 77% | 0.773 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.3 | -38.4 | 176.6 | -81.6 | -78.3 | 0 | 0 | 0 | 113.4 | F288 L289 N294 | F288-Y292 VanDerWaalsContact O-CD2 3.26Å; F288-Y292 WeakPolarHBondContact O-CD2 3.5Å; F288-Y292 PolarHBondContact O-N 3.22Å; L289-Y292 PolarHBondContact O-N 3.41Å; Y292-N294 VanDerWaalsContact C-N 3.27Å; Y292-N294 PolarHBondContact O-N 3.16Å |
| 293 | G | 52.9 | Low | 50.8 | Low | 48 Ų | 48 | 128.3 Ų | 128.3 | 50% | 0.495 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -73.6 | -14.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L289 E291 | L289-G293 PolarHBondContact O-N 2.93Å; E291-G293 PolarHBondContact O-N 3.17Å |
| 294 | N | 59.5 | Low | 49.1 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 62% | 0.62 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -3 | 179.6 | -131.6 | 23.6 | 0 | 0 | 0 | 113.2 | R290 E291 Y292 S296 | R290-N294 WeakPolarHBondContact O-CB 3.49Å; R290-N294 PolarHBondContact O-N 3.14Å; E291-N294 PolarHBondContact O-N 3.42Å; Y292-N294 VanDerWaalsContact C-N 3.27Å; Y292-N294 PolarHBondContact O-N 3.16Å; N294-S296 PolarHBondContact O-N 3.19Å |
| 295 | V | 52.3 | Low | 48.2 | Very low | 85 Ų | 85 | 133.1 Ų | 133.1 | 52% | 0.515 | 67% | 0.669 | S | S | . | * | trans | -86.8 | 86 | 173.4 | -174.1 | 0 | 0 | 0 | 0 | 108.7 | Y297 | V295-Y297 HydrophobicContact CG1-CD2 4.23Å; V295-Y297 HydrophobicContact CG1-CE2 3.85Å | ||
| 296 | S | 44.1 | Very low | 46.8 | Very low | 104 Ų | 104 | 137.4 Ų | 137.4 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | trans | -81.5 | 112.2 | 163.1 | 54.3 | 0 | 0 | 0 | 0 | 108.5 | N294 D298 | N294-S296 PolarHBondContact O-N 3.19Å; S296-D298 PolarHBondContact O-N 2.93Å | ||
| 297 | Y | 43.3 | Very low | 45.5 | Very low | 205 Ų | 205 | 138.3 Ų | 138.3 | 80% | 0.804 | 70% | 0.702 | S | S | * | * | trans | -68.7 | 101.4 | 166.7 | -70.7 | -87.2 | 0 | 0 | 0 | 108.1 | V295 L299 | V295-Y297 HydrophobicContact CG1-CD2 4.23Å; V295-Y297 HydrophobicContact CG1-CE2 3.85Å; Y297-L299 PolarHBondContact O-N 3.32Å | ||
| 298 | D | 37.9 | Very low | 44.3 | Very low | 140 Ų | 140 | 140.9 Ų | 140.9 | 75% | 0.749 | 72% | 0.716 | S | S | * | * | trans | -74.9 | 106.1 | 162.2 | -142.1 | -5.3 | 0 | 0 | 0 | 105.7 | S296 Q300 | S296-D298 PolarHBondContact O-N 2.93Å; D298-Q300 PolarHBondContact O-N 3.36Å | ||
| 299 | L | 38.3 | Very low | 43.1 | Very low | 162 Ų | 162 | 140.4 Ų | 140.4 | 85% | 0.848 | 72% | 0.721 | S | S | * | * | trans | -77.7 | 72.2 | 177.9 | -136.1 | 129.6 | 0 | 0 | 0 | 106.6 | Y297 R301 | Y297-L299 PolarHBondContact O-N 3.32Å; L299-R301 VanDerWaalsContact C-N 3.3Å; L299-R301 PolarHBondContact O-N 3.12Å | ||
| 300 | Q | 38.5 | Very low | 41.8 | Very low | 152 Ų | 152 | 143.4 Ų | 143.4 | 71% | 0.71 | 74% | 0.737 | S | S | * | * | trans | -67.3 | 95.3 | 177.9 | -162.8 | 159.8 | -8.2 | 0 | 0 | 107 | D298 S302 | D298-Q300 PolarHBondContact O-N 3.36Å; Q300-S302 VanDerWaalsContact C-N 3.33Å; Q300-S302 PolarHBondContact O-N 3.2Å; Q300-S302 PolarHBondContact O-OG 2.79Å | ||
| 301 | R | 37.3 | Very low | 40.6 | Very low | 252 Ų | 252 | 143.2 Ų | 143.2 | 95% | 0.951 | 75% | 0.748 | S | S | * | * | trans | -59.7 | 98.1 | 172.9 | -149.3 | 177.6 | -161.7 | 164.2 | 2.5 | 107.1 | L299 | L299-R301 VanDerWaalsContact C-N 3.3Å; L299-R301 PolarHBondContact O-N 3.12Å | ||
| 302 | S | 34.6 | Very low | 39.5 | Very low | 88 Ų | 88 | 142 Ų | 142 | 62% | 0.615 | 75% | 0.752 | S | S | * | * | trans | -132.3 | 127.3 | 177.1 | 39.8 | 0 | 0 | 0 | 0 | 103.6 | Q300 | Q300-S302 VanDerWaalsContact C-N 3.33Å; Q300-S302 PolarHBondContact O-N 3.2Å; Q300-S302 PolarHBondContact O-OG 2.79Å | ||
| 303 | E | 34.6 | Very low | 38.2 | Very low | 176 Ų | 176 | 139 Ų | 139 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | cis | -150.4 | 162.8 | 10.4 | -82.8 | 153.5 | 145.4 | 0 | 0 | 106.5 | ||||
| 304 | D | 28.3 | Very low | 37.6 | Very low | 167 Ų | 167 | 142.1 Ų | 142.1 | 89% | 0.893 | 77% | 0.765 | S | S | * | * | -148.4 | 133.8 | 125.1 | -102.2 | -24.8 | 0 | 0 | 0 | 110 | |||||
| 305 | P | 43.9 | Very low | 36.2 | Very low | 101 Ų | 101 | 146.1 Ų | 146.1 | 66% | 0.656 | 78% | 0.78 | S | S | * | * | trans | -99.3 | 143.8 | -179.2 | 37.2 | -30.3 | 0 | 0 | 0 | 112.1 | ||||
| 306 | E | 31.2 | Very low | 35.3 | Very low | 204 Ų | 204 | 146.7 Ų | 146.7 | 95% | 0.953 | 79% | 0.794 | S | S | * | * | trans | 158.8 | 131.8 | 159.8 | -92.4 | 165.9 | -162.2 | 0 | 0 | 107.1 | ||||
| 307 | A | 30.8 | Very low | 35.1 | Very low | 86 Ų | 86 | 147.3 Ų | 147.3 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | cis | -154.8 | 140.8 | 19.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 308 | V | 33.3 | Very low | 34.5 | Very low | 133 Ų | 133 | 143.5 Ų | 143.5 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | 44.5 | 127.2 | 101.9 | -167.8 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 309 | D | 29.9 | Very low | 34.1 | Very low | 137 Ų | 137 | 146.1 Ų | 146.1 | 73% | 0.733 | 80% | 0.801 | S | S | * | * | cis | -154.2 | 151.9 | 11.3 | -115.8 | -32.4 | 0 | 0 | 0 | 103.6 | ||||
| 310 | D | 29.8 | Very low | 33.7 | Very low | 154 Ų | 154 | 146.5 Ų | 146.5 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | 180 | 133.7 | 84.4 | -98.3 | -45.4 | 0 | 0 | 0 | 108.2 | |||||
| 311 | L | 33.4 | Very low | 33.2 | Very low | 161 Ų | 161 | 143.7 Ų | 143.7 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | -106 | 152.4 | 162.5 | -87.5 | 158.5 | 0 | 0 | 0 | 108.3 | ||||
| 312 | P | 35.6 | Very low | 33 | Very low | 115 Ų | 115 | 137.5 Ų | 137.5 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | -144.3 | 132.9 | 106 | 31.2 | -13.3 | 0 | 0 | 0 | 116.4 | |||||
| 313 | V | 33.4 | Very low | 32.7 | Very low | 134 Ų | 134 | 141.8 Ų | 141.8 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | 75.9 | 144.4 | 129.1 | 178.5 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 314 | P | 40.3 | Very low | 32.4 | Very low | 113 Ų | 113 | 142.8 Ų | 142.8 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | trans | -110.5 | 154.1 | -148 | 38.6 | -27.1 | 0 | 0 | 0 | 115.3 | ||||
| 315 | E | 28.8 | Very low | 32.3 | Very low | 199 Ų | 199 | 142.5 Ų | 142.5 | 93% | 0.93 | 80% | 0.804 | S | S | * | * | trans | -122.6 | 141.8 | 161.5 | -81.9 | -169.2 | 155.3 | 0 | 0 | 112.1 | ||||
| 316 | A | 33.7 | Very low | 31.8 | Very low | 97 Ų | 97 | 147.6 Ų | 147.6 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | trans | -86.4 | 166.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 317 | P | 40.6 | Very low | 31.6 | Very low | 118 Ų | 118 | 147 Ų | 147 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | trans | -100.8 | 169.6 | -152.2 | 39 | -34.7 | 0 | 0 | 0 | 114.3 | ||||
| 318 | P | 30.5 | Very low | 31.5 | Very low | 124 Ų | 124 | 148.9 Ų | 148.9 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | trans | -114.9 | 112.4 | 152.6 | 30 | -15.3 | 0 | 0 | 0 | 113.4 | ||||
| 319 | K | 29.1 | Very low | 31.2 | Very low | 196 Ų | 196 | 146 Ų | 146 | 85% | 0.852 | 81% | 0.81 | S | S | * | * | 45.7 | 94.1 | 129.8 | -65.7 | 177.5 | 179.5 | 176 | 0 | 120.4 | |||||
| 320 | I | 30.3 | Very low | 30.9 | Very low | 169 Ų | 169 | 145.8 Ų | 145.8 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | 17.5 | 127.5 | 129.3 | -51.2 | 166.6 | 0 | 0 | 0 | 119.4 | |||||
| 321 | A | 27 | Very low | 30.8 | Very low | 93 Ų | 93 | 144 Ų | 144 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | -150.8 | 157.5 | 135.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 322 | P | 33.8 | Very low | 30.6 | Very low | 123 Ų | 123 | 143.4 Ų | 143.4 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | -96.5 | 168.1 | -127.9 | 36.3 | -37.8 | 0 | 0 | 0 | 117.7 | |||||
| 323 | M | 28.6 | Very low | 30.3 | Very low | 178 Ų | 178 | 143.6 Ų | 143.6 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -40.2 | 145.5 | 172.8 | -60.6 | -173.3 | -142.8 | 0 | 0 | 115.2 | ||||
| 324 | F | 27.4 | Very low | 30 | Very low | 196 Ų | 196 | 146 Ų | 146 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | -159.8 | 117.3 | 129.8 | -112.3 | -80.8 | 0 | 0 | 0 | 112.5 | |||||
| 325 | H | 27.4 | Very low | 29.4 | Very low | 161 Ų | 161 | 145.6 Ų | 145.6 | 75% | 0.745 | 81% | 0.806 | S | S | * | * | trans | 36.3 | 112.7 | 149.1 | -80.2 | -87.8 | 0 | 0 | 0 | 122.3 | K327 | H325-K327 PolarHBondContact O-N 3.47Š| ||
| 326 | K | 31.9 | Very low | 29.6 | Very low | 209 Ų | 209 | 142.3 Ų | 142.3 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | trans | -31.6 | 113.9 | 142.9 | -150.7 | 175.2 | -169.4 | 176.9 | 0 | 112.1 | ||||
| 327 | K | 27.4 | Very low | 29.4 | Very low | 192 Ų | 192 | 141 Ų | 141 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | -121.7 | 107.7 | 160.7 | -109.6 | -178.2 | -179.7 | 178.1 | 0 | 109.4 | H325 | H325-K327 PolarHBondContact O-N 3.47Š| ||
| 328 | T | 28.9 | Very low | 28.8 | Very low | 124 Ų | 124 | 145 Ų | 145 | 76% | 0.761 | 80% | 0.803 | S | S | * | * | trans | 24 | 119.8 | 140.2 | 2.5 | 0 | 0 | 0 | 0 | 117.7 | V330 | T328-V330 PolarHBondContact O-N 3.37Š| ||
| 329 | G | 26.6 | Very low | 28.8 | Very low | 73 Ų | 73 | 149.6 Ų | 149.6 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | -49.4 | 127.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V331 | G329-V331 PolarHBondContact O-N 3.25Š| ||
| 330 | V | 25.1 | Very low | 29 | Very low | 132 Ų | 132 | 149.9 Ų | 149.9 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | trans | -69.1 | 108.5 | 168.6 | 174 | 0 | 0 | 0 | 0 | 107.3 | T328 I332 | T328-V330 PolarHBondContact O-N 3.37Å; V330-I332 PolarHBondContact O-N 3.32Å | ||
| 331 | V | 27.5 | Very low | 29.2 | Very low | 118 Ų | 118 | 148 Ų | 148 | 72% | 0.715 | 80% | 0.804 | S | S | * | * | trans | -62.9 | 110.7 | 162.5 | 174.4 | 0 | 0 | 0 | 0 | 106.7 | G329 T333 | G329-V331 PolarHBondContact O-N 3.25Å; V331-T333 VanDerWaalsContact C-N 3.26Å; V331-T333 HydrophobicContact CG1-CG2 4.15Å; V331-T333 PolarHBondContact O-N 3.49Å | ||
| 332 | I | 29.3 | Very low | 29.8 | Very low | 147 Ų | 147 | 148.6 Ų | 148.6 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | trans | -72.4 | 89.5 | 168.8 | -59.4 | 174.7 | 0 | 0 | 0 | 106.5 | V330 Q334 | V330-I332 PolarHBondContact O-N 3.32Å; I332-Q334 HydrophobicContact CG2-CG 4.39Å; I332-Q334 PolarHBondContact O-N 3.19Å | ||
| 333 | T | 28.7 | Very low | 30.1 | Very low | 119 Ų | 119 | 148.2 Ų | 148.2 | 73% | 0.73 | 80% | 0.797 | S | S | * | * | trans | -67.9 | 106.3 | 159.1 | 44.7 | 0 | 0 | 0 | 0 | 107.4 | V331 S335 | V331-T333 VanDerWaalsContact C-N 3.26Å; V331-T333 HydrophobicContact CG1-CG2 4.15Å; V331-T333 PolarHBondContact O-N 3.49Å; T333-S335 PolarHBondContact O-N 3.46Å | ||
| 334 | Q | 28 | Very low | 30.5 | Very low | 184 Ų | 184 | 145.6 Ų | 145.6 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -68.9 | 108.2 | 166 | -77.1 | -176.1 | -21.4 | 0 | 0 | 108.5 | I332 | I332-Q334 HydrophobicContact CG2-CG 4.39Å; I332-Q334 PolarHBondContact O-N 3.19Å | ||
| 335 | S | 27 | Very low | 31 | Very low | 106 Ų | 106 | 145.6 Ų | 145.6 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | -71.6 | 141.6 | 166.9 | 50.7 | 0 | 0 | 0 | 0 | 110.8 | T333 | T333-S335 PolarHBondContact O-N 3.46Š| ||
| 336 | P | 32.7 | Very low | 31.4 | Very low | 130 Ų | 130 | 145.5 Ų | 145.5 | 84% | 0.844 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -80 | 144.2 | 177 | 33.2 | -31.2 | 0 | 0 | 0 | 110.8 | ||
| 337 | G | 30.5 | Very low | 31.6 | Very low | 69 Ų | 69 | 140.9 Ų | 140.9 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | 94.1 | 79.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 338 | K | 28.2 | Very low | 32.3 | Very low | 203 Ų | 203 | 138.5 Ų | 138.5 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | -89.2 | 106.5 | 150.1 | -94 | -175.7 | 177.1 | 179.7 | 0 | 108.3 | F340 | K338-F340 PolarHBondContact O-N 3.31Š| ||
| 339 | Y | 30.5 | Very low | 32.8 | Very low | 220 Ų | 220 | 139.7 Ų | 139.7 | 86% | 0.863 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -58 | 120 | 159.7 | -77.9 | -93.3 | 0 | 0 | 0 | 108.5 | V341 | Y339-V341 PolarHBondContact O-N 3.3Š|
| 340 | F | 32.2 | Very low | 33.4 | Very low | 202 Ų | 202 | 144.1 Ų | 144.1 | 89% | 0.886 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -69 | 116.3 | 163.9 | -88 | -92.8 | 0 | 0 | 0 | 107.8 | K338 | K338-F340 PolarHBondContact O-N 3.31Š|
| 341 | V | 35 | Very low | 34.4 | Very low | 129 Ų | 129 | 143.7 Ų | 143.7 | 78% | 0.782 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 130.3 | 166.9 | -178.2 | 0 | 0 | 0 | 0 | 107.2 | Y339 | Y339-V341 PolarHBondContact O-N 3.3Š|
| 342 | P | 39.3 | Very low | 35.4 | Very low | 105 Ų | 105 | 149.6 Ų | 149.6 | 68% | 0.682 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 147.4 | 175 | 26.1 | -31.9 | 0 | 0 | 0 | 109.7 | ||
| 343 | P | 39.1 | Very low | 35.7 | Very low | 115 Ų | 115 | 149.8 Ų | 149.8 | 75% | 0.747 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 146 | 179.7 | 24.3 | -32.5 | 0 | 0 | 0 | 110.6 | K345 | P343-K345 PolarHBondContact O-N 3.16Š|
| 344 | P | 37.6 | Very low | 36.1 | Very low | 123 Ų | 123 | 151.4 Ų | 151.4 | 80% | 0.799 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 133.7 | 178.3 | 23.7 | -31.4 | 0 | 0 | 0 | 109.6 | L346 | P344-L346 PolarHBondContact O-N 3.34Å; P344-L346 VanDerWaalsContact O-N 3.16Å |
| 345 | K | 38.6 | Very low | 36.6 | Very low | 197 Ų | 197 | 149.6 Ų | 149.6 | 86% | 0.857 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 121 | 173.3 | -71.4 | -178.1 | 177.5 | 179.3 | 0 | 108.3 | P343 C347 | P343-K345 PolarHBondContact O-N 3.16Å; K345-C347 PolarHBondContact O-N 3.03Å |
| 346 | L | 34.8 | Very low | 37.1 | Very low | 159 Ų | 159 | 152.1 Ų | 152.1 | 83% | 0.832 | 83% | 0.828 | S | S | * | * | trans | -64.5 | 101.6 | 166 | -136 | 92.2 | 0 | 0 | 0 | 106.7 | P344 I348 | P344-L346 PolarHBondContact O-N 3.34Å; P344-L346 VanDerWaalsContact O-N 3.16Å; L346-I348 HydrophobicContact CD2-CG1 4.48Å; L346-I348 PolarHBondContact O-N 3.33Å | ||
| 347 | C | 37 | Very low | 37.4 | Very low | 112 Ų | 112 | 153.5 Ų | 153.5 | 76% | 0.757 | 83% | 0.827 | S | S | * | * | trans | -71.9 | 113.8 | 163.2 | -83.8 | 0 | 0 | 0 | 0 | 106.9 | K345 | K345-C347 PolarHBondContact O-N 3.03Š| ||
| 348 | I | 41.3 | Very low | 37.9 | Very low | 142 Ų | 142 | 159.1 Ų | 159.1 | 73% | 0.728 | 84% | 0.835 | S | S | * | * | trans | -86.8 | 107.3 | 164.7 | -63 | 172.9 | 0 | 0 | 0 | 105 | L346 M350 | L346-I348 HydrophobicContact CD2-CG1 4.48Å; L346-I348 PolarHBondContact O-N 3.33Å; I348-M350 PolarHBondContact O-N 3.4Å | ||
| 349 | D | 40.5 | Very low | 38.6 | Very low | 149 Ų | 149 | 156 Ų | 156 | 80% | 0.797 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 120.5 | 168.7 | -72.7 | -32.8 | 0 | 0 | 0 | 108.3 | ||
| 350 | M | 39.5 | Very low | 39.2 | Very low | 166 Ų | 166 | 151.1 Ų | 151.1 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 133.7 | 164.7 | -87.7 | 172.5 | 51.5 | 0 | 0 | 108.4 | I348 | I348-M350 PolarHBondContact O-N 3.4Š|
| 351 | P | 46.2 | Very low | 39.8 | Very low | 122 Ų | 122 | 146.8 Ų | 146.8 | 79% | 0.792 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 142.6 | 171.4 | 29.1 | -31.5 | 0 | 0 | 0 | 110.5 | ||
| 352 | D | 48.3 | Very low | 40.2 | Very low | 243 Ų | 243 | 148.5 Ų | 148.5 | 100% | 1.299 | 83% | 0.828 | S | S | * | * | trans | -56.1 | 0 | 179.6 | -67.4 | -45.9 | 0 | 0 | 0 | 114.6 |
Retrieved 352 of 352 residues in 1417.3 ms
(Link to these results)