| 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 | 44 | Very low | 61.9 | Low | 213 Ų | 213 | 95.8 Ų | 95.8 | 100% | 1.049 | 47% | 0.47 | S | S | * | . | 0 | 119.1 | 0 | -155.5 | 153.2 | 78.7 | 0 | 0 | 107.1 | L3 | M1-L3 PolarHBondContact O-N 2.96Š| |||
| 2 | N | 52.1 | Low | 63.4 | Low | 134 Ų | 134 | 89.3 Ų | 89.3 | 72% | 0.717 | 44% | 0.441 | S | S | * | . | trans | -80.6 | 85.2 | -167.6 | -153.6 | -12.5 | 0 | 0 | 0 | 110.2 | R4 G5 L6 | N2-R4 PolarHBondContact O-N 3.21Å; N2-R4 VanDerWaalsContact O-N 3.11Å; N2-G5 PolarHBondContact O-N 3.37Å; N2-L6 PolarHBondContact O-N 3.34Å | ||
| 3 | L | 55.4 | Low | 64.9 | Low | 113 Ų | 113 | 83.5 Ų | 83.5 | 59% | 0.592 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -52.7 | -33.9 | -176.6 | -70.4 | 169.4 | 0 | 0 | 0 | 112.1 | M1 G5 L6 F7 | M1-L3 PolarHBondContact O-N 2.96Å; L3-G5 VanDerWaalsContact C-N 3.33Å; L3-G5 PolarHBondContact O-N 3.43Å; L3-L6 PolarHBondContact O-N 3.11Å; L3-F7 VanDerWaalsContact O-CD2 3.24Å; L3-F7 WeakPolarHBondContact O-CD2 3.1Å; L3-F7 PolarHBondContact O-N 3.1Å; L3-F7 VanDerWaalsContact O-N 3.17Å |
| 4 | R | 56.8 | Low | 66.4 | Low | 189 Ų | 189 | 80.1 Ų | 80.1 | 71% | 0.713 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -60.3 | -39.1 | 177.2 | -164.2 | 173.6 | -176 | 179.9 | 2 | 112.9 | N2 Q8 | N2-R4 PolarHBondContact O-N 3.21Å; N2-R4 VanDerWaalsContact O-N 3.11Å; R4-Q8 VanDerWaalsContact O-CB 3.32Å; R4-Q8 WeakPolarHBondContact O-CB 3.42Å; R4-Q8 PolarHBondContact O-N 3.39Å; R4-Q8 VanDerWaalsContact O-N 3.09Å |
| 5 | G | 58.3 | Low | 67.9 | Low | 31 Ų | 31 | 79 Ų | 79 | 32% | 0.32 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -70.4 | -34 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | N2 L3 Q8 | N2-G5 PolarHBondContact O-N 3.37Å; L3-G5 VanDerWaalsContact C-N 3.33Å; L3-G5 PolarHBondContact O-N 3.43Å; G5-Q8 PolarHBondContact O-N 2.96Å |
| 6 | L | 60.2 | Low | 69.2 | Low | 77 Ų | 77 | 76.3 Ų | 76.3 | 40% | 0.403 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -71 | -34.6 | -179.7 | -165.9 | 136.7 | 0 | 0 | 0 | 112.6 | N2 L3 F262 | N2-L6 PolarHBondContact O-N 3.34Å; L3-L6 PolarHBondContact O-N 3.11Å; L6-F262 HydrophobicContact CD2-CB 4.22Å; L6-F262 HydrophobicContact CD2-CD1 3.94Å; L6-F262 HydrophobicContact CD2-CG 4.36Å; L6-F262 HydrophobicContact CG-CB 4.4Å |
| 7 | F | 63.8 | Low | 70.5 | Confident | 109 Ų | 109 | 74.4 Ų | 74.4 | 48% | 0.478 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -82.4 | -24.2 | 174 | -73.7 | -71.5 | 0 | 0 | 0 | 113.4 | L3 D9 C279 | L3-F7 VanDerWaalsContact O-CD2 3.24Å; L3-F7 WeakPolarHBondContact O-CD2 3.1Å; L3-F7 PolarHBondContact O-N 3.1Å; L3-F7 VanDerWaalsContact O-N 3.17Å; F7-D9 VanDerWaalsContact C-N 3.33Å; F7-D9 PolarHBondContact O-N 3.07Å; F7-C279 WeakPolarHBondContact O-CB 3.38Å; F7-C279 PolarHBondContact O-SG 3.24Å |
| 8 | Q | 63.2 | Low | 71.7 | Confident | 99 Ų | 99 | 72 Ų | 72 | 46% | 0.463 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.6 | -35 | 179.4 | -170.7 | 167.4 | -0.2 | 0 | 0 | 112.3 | R4 G5 | R4-Q8 VanDerWaalsContact O-CB 3.32Å; R4-Q8 WeakPolarHBondContact O-CB 3.42Å; R4-Q8 PolarHBondContact O-N 3.39Å; R4-Q8 VanDerWaalsContact O-N 3.09Å; G5-Q8 PolarHBondContact O-N 2.96Å |
| 9 | D | 69.2 | Low | 72.9 | Confident | 46 Ų | 46 | 69.8 Ų | 69.8 | 25% | 0.246 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 29.7 | -179 | -66.1 | -30.1 | 0 | 0 | 0 | 112.7 | F7 G263 Q264 K265 | F7-D9 VanDerWaalsContact C-N 3.33Å; F7-D9 PolarHBondContact O-N 3.07Å; D9-G263 CarbonylContact O-C 3.56Å; D9-G263 PolarHBondContact O-N 3.26Å; D9-Q264 PolarHBondContact O-N 3.21Å; D9-Q264 VanDerWaalsContact O-N 3.12Å; D9-K265 HydrophobicContact CB-CG 4.39Å; D9-K265 VanDerWaalsContact OD1-CE 3.23Å; D9-K265 WeakPolarHBondContact OD1-CE 3.29Å; D9-K265 VanDerWaalsContact OD1-CG 3.25Å; D9-K265 WeakPolarHBondContact OD1-CG 3.49Å; D9-K265 WeakPolarHBondContact OD2-CE 3.28Å |
| 10 | F | 77.1 | Confident | 74 | Confident | 40 Ų | 40 | 66.7 Ų | 66.7 | 18% | 0.175 | 33% | 0.332 | C | S | . | . | B | Isolated β-bridge | trans | -83.6 | 126.6 | 178.7 | 177.1 | -117.5 | 0 | 0 | 0 | 112.1 | P12 F15 F262 F278 | F10-P12 HydrophobicContact CD1-CB 4.29Å; F10-P12 HydrophobicContact CE1-CB 3.79Å; F10-P12 HydrophobicContact CZ-CB 4.49Å; F10-P12 WeakPolarHBondContact O-CD 3.27Å; F10-F15 HydrophobicContact CE2-CB 3.73Å; F10-F15 AromaticContact CE2-CD2 3.79Å; F10-F15 HydrophobicContact CE2-CD2 3.79Å; F10-F15 AromaticContact CE2-CG 3.8Å; F10-F15 HydrophobicContact CE2-CG 3.8Å; F10-F15 HydrophobicContact CZ-CB 3.63Å; F10-F15 HydrophobicContact CZ-CD1 4.08Å; F10-F15 HydrophobicContact CZ-CD2 4.07Å; F10-F15 AromaticContact CZ-CG 3.66Å; F10-F15 HydrophobicContact CZ-CG 3.66Å; F10-F262 AromaticContact CD2-CD1 3.52Å; F10-F262 HydrophobicContact CD2-CD1 3.52Å; F10-F262 AromaticContact CD2-CE1 3.51Å; F10-F262 HydrophobicContact CD2-CE1 3.51Å; F10-F262 HydrophobicContact CD2-CG 4.22Å; F10-F262 HydrophobicContact CD2-CZ 4.21Å; F10-F262 AromaticContact CE2-CD1 3.99Å; F10-F262 HydrophobicContact CE2-CD1 3.99Å; F10-F262 AromaticContact CE2-CE1 3.53Å; F10-F262 HydrophobicContact CE2-CE1 3.53Å; F10-F262 HydrophobicContact CE2-CE2 4.45Å; F10-F262 AromaticContact CE2-CZ 3.8Å; F10-F262 HydrophobicContact CE2-CZ 3.8Å; F10-F262 HydrophobicContact CG-CD1 4.43Å; F10-F262 HydrophobicContact CG-CE1 4.45Å; F10-F262 HydrophobicContact CZ-CE1 4.48Å; F10-F278 HydrophobicContact CD1-CD1 4.36Å; F10-F278 HydrophobicContact CE1-CD1 4.44Å; F10-F278 HydrophobicContact CE1-CE1 4.49Å |
| 11 | N | 81 | Confident | 75 | Confident | 3 Ų | 3 | 66.1 Ų | 66.1 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | trans | -98 | 94.7 | 174.7 | -167.2 | -29.8 | 0 | 0 | 0 | 111.7 | S13 K14 F15 T261 G266 | N11-S13 VanDerWaalsContact C-N 3.27Å; N11-S13 PolarHBondContact O-N 3.44Å; N11-S13 PolarHBondContact OD1-N 2.84Å; N11-S13 PolarHBondContact OD1-OG 2.86Å; N11-K14 HydrophobicContact CB-CB 4.42Å; N11-K14 PolarHBondContact OD1-N 2.91Å; N11-F15 WeakPolarHBondContact O-CB 3.33Å; N11-F15 PolarHBondContact O-N 3Å; N11-F15 VanDerWaalsContact O-N 3.12Å; N11-T261 PolarHBondContact N-O 3.38Å; N11-T261 VanDerWaalsContact N-O 3.12Å; N11-G266 PolarHBondContact ND2-O 3.43Å | ||
| 12 | P | 80.3 | Confident | 77.5 | Confident | 18 Ų | 18 | 57.5 Ų | 57.5 | 12% | 0.117 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.4 | -31 | -175.1 | 29.6 | -39.8 | 0 | 0 | 0 | 112.9 | F10 L16 F278 | F10-P12 HydrophobicContact CD1-CB 4.29Å; F10-P12 HydrophobicContact CE1-CB 3.79Å; F10-P12 HydrophobicContact CZ-CB 4.49Å; F10-P12 WeakPolarHBondContact O-CD 3.27Å; P12-L16 WeakPolarHBondContact O-CB 3.48Å; P12-L16 PolarHBondContact O-N 3.22Å; P12-F278 HydrophobicContact CB-CD1 3.6Å; P12-F278 HydrophobicContact CB-CD2 4.39Å; P12-F278 HydrophobicContact CB-CE1 3.72Å; P12-F278 HydrophobicContact CB-CG 3.94Å; P12-F278 HydrophobicContact CB-CZ 4.2Å; P12-F278 HydrophobicContact CG-CB 3.69Å; P12-F278 HydrophobicContact CG-CD1 3.71Å; P12-F278 HydrophobicContact CG-CD2 4.04Å; P12-F278 HydrophobicContact CG-CE1 4.28Å; P12-F278 HydrophobicContact CG-CG 3.55Å |
| 13 | S | 81.9 | Confident | 79.6 | Confident | 14 Ų | 14 | 55.6 Ų | 55.6 | 10% | 0.098 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.7 | -48.2 | -175.6 | 69.9 | 0 | 0 | 0 | 0 | 110.8 | N11 L16 I17 | N11-S13 VanDerWaalsContact C-N 3.27Å; N11-S13 PolarHBondContact O-N 3.44Å; N11-S13 PolarHBondContact OD1-N 2.84Å; N11-S13 PolarHBondContact OD1-OG 2.86Å; S13-L16 PolarHBondContact O-N 2.71Å; S13-I17 WeakPolarHBondContact O-CD1 3.27Å; S13-I17 VanDerWaalsContact O-CG1 3.22Å; S13-I17 WeakPolarHBondContact O-CG1 3.33Å; S13-I17 PolarHBondContact O-N 2.76Å; S13-I17 VanDerWaalsContact O-N 3.12Å |
| 14 | K | 85.6 | Confident | 81.6 | Confident | 35 Ų | 35 | 52 Ų | 52 | 15% | 0.152 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.3 | -39.7 | 175.5 | -70.2 | -170.7 | 175 | -171.2 | 0 | 112 | N11 L16 I17 Y18 E141 T261 | N11-K14 HydrophobicContact CB-CB 4.42Å; N11-K14 PolarHBondContact OD1-N 2.91Å; K14-L16 PolarHBondContact O-N 2.85Å; K14-I17 WeakPolarHBondContact O-CB 3.16Å; K14-I17 PolarHBondContact O-N 3.33Å; K14-Y18 HydrophobicContact CB-CD2 4.47Å; K14-Y18 HydrophobicContact CB-CE2 3.94Å; K14-Y18 WeakPolarHBondContact O-CD2 3.43Å; K14-Y18 PolarHBondContact O-N 3.34Å; K14-E141 WeakPolarHBondContact CE-OE1 3.29Å; K14-E141 VanDerWaalsContact CE-OE2 3.3Å; K14-E141 WeakPolarHBondContact CE-OE2 3.39Å; K14-E141 IonicContact NZ-OE1 2.9Å; K14-E141 PolarHBondContact NZ-OE1 3.35Å; K14-E141 IonicContact NZ-OE2 3.99Å; K14-E141 PolarHBondContact NZ-OE2 3Å; K14-T261 HydrophobicContact CB-CG2 3.82Å |
| 15 | F | 89.3 | Confident | 83.5 | Confident | 64 Ų | 64 | 43.2 Ų | 43.2 | 28% | 0.281 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.3 | -47.8 | 176.4 | -178.3 | -87.5 | 0 | 0 | 0 | 111.4 | F10 N11 I17 Y18 A19 M258 T261 F262 | F10-F15 HydrophobicContact CE2-CB 3.73Å; F10-F15 AromaticContact CE2-CD2 3.79Å; F10-F15 HydrophobicContact CE2-CD2 3.79Å; F10-F15 AromaticContact CE2-CG 3.8Å; F10-F15 HydrophobicContact CE2-CG 3.8Å; F10-F15 HydrophobicContact CZ-CB 3.63Å; F10-F15 HydrophobicContact CZ-CD1 4.08Å; F10-F15 HydrophobicContact CZ-CD2 4.07Å; F10-F15 AromaticContact CZ-CG 3.66Å; F10-F15 HydrophobicContact CZ-CG 3.66Å; N11-F15 WeakPolarHBondContact O-CB 3.33Å; N11-F15 PolarHBondContact O-N 3Å; N11-F15 VanDerWaalsContact O-N 3.12Å; F15-I17 VanDerWaalsContact C-N 3.31Å; F15-I17 PolarHBondContact O-N 3.37Å; F15-Y18 PolarHBondContact O-N 3.03Å; F15-A19 HydrophobicContact CE1-CB 4.38Å; F15-A19 VanDerWaalsContact O-CB 3.27Å; F15-A19 WeakPolarHBondContact O-CB 3.26Å; F15-A19 PolarHBondContact O-N 3.45Å; F15-M258 HydrophobicContact CD2-CG 3.41Å; F15-M258 VanDerWaalsContact CD2-CG 3.41Å; F15-M258 HydrophobicContact CD2-SD 4.18Å; F15-M258 HydrophobicContact CE2-CG 3.24Å; F15-M258 HydrophobicContact CE2-SD 3.54Å; F15-M258 VanDerWaalsContact CE2-SD 3.54Å; F15-M258 HydrophobicContact CG-CG 4.37Å; F15-M258 HydrophobicContact CZ-CG 4.09Å; F15-M258 HydrophobicContact CZ-SD 3.78Å; F15-T261 HydrophobicContact CB-CG2 4.36Å; F15-F262 HydrophobicContact CD2-CE2 4.07Å; F15-F262 HydrophobicContact CD2-CZ 4.05Å; F15-F262 AromaticContact CE2-CE2 3.92Å; F15-F262 HydrophobicContact CE2-CE2 3.92Å; F15-F262 AromaticContact CE2-CZ 3.8Å; F15-F262 HydrophobicContact CE2-CZ 3.8Å |
| 16 | L | 89.6 | Confident | 85.3 | Confident | 36 Ų | 36 | 43.7 Ų | 43.7 | 19% | 0.188 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.9 | -44.8 | 176.2 | -179.2 | 70.5 | 0 | 0 | 0 | 111.3 | P12 S13 K14 A19 C20 M53 W271 | P12-L16 WeakPolarHBondContact O-CB 3.48Å; P12-L16 PolarHBondContact O-N 3.22Å; S13-L16 PolarHBondContact O-N 2.71Å; K14-L16 PolarHBondContact O-N 2.85Å; L16-A19 PolarHBondContact O-N 2.99Å; L16-C20 VanDerWaalsContact O-CB 3.29Å; L16-C20 WeakPolarHBondContact O-CB 3.39Å; L16-C20 PolarHBondContact O-N 3.43Å; L16-C20 PolarHBondContact O-SG 3.49Å; L16-C20 VanDerWaalsContact O-SG 3.33Å; L16-M53 HydrophobicContact CD2-CB 3.87Å; L16-M53 HydrophobicContact CD2-CG 3.96Å; L16-W271 HydrophobicContact CD2-CH2 3.8Å; L16-W271 HydrophobicContact CD2-CZ2 3.97Å |
| 17 | I | 90.3 | Very high | 87 | Confident | 43 Ų | 43 | 41.1 Ų | 41.1 | 22% | 0.221 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.5 | -54.2 | 178.3 | -66.3 | 165.4 | 0 | 0 | 0 | 110.4 | S13 K14 F15 A19 C20 L21 W50 | S13-I17 WeakPolarHBondContact O-CD1 3.27Å; S13-I17 VanDerWaalsContact O-CG1 3.22Å; S13-I17 WeakPolarHBondContact O-CG1 3.33Å; S13-I17 PolarHBondContact O-N 2.76Å; S13-I17 VanDerWaalsContact O-N 3.12Å; K14-I17 WeakPolarHBondContact O-CB 3.16Å; K14-I17 PolarHBondContact O-N 3.33Å; F15-I17 VanDerWaalsContact C-N 3.31Å; F15-I17 PolarHBondContact O-N 3.37Å; I17-A19 PolarHBondContact O-N 2.67Å; I17-C20 PolarHBondContact O-N 3Å; I17-L21 HydrophobicContact CG2-CD1 3.8Å; I17-L21 HydrophobicContact CG2-CG 4.36Å; I17-L21 WeakPolarHBondContact O-CB 3.13Å; I17-L21 VanDerWaalsContact O-CG 3.28Å; I17-L21 WeakPolarHBondContact O-CG 3.29Å; I17-L21 PolarHBondContact O-N 3.49Å; I17-W50 HydrophobicContact CB-CZ2 4.39Å; I17-W50 HydrophobicContact CD1-CZ2 4.07Å; I17-W50 HydrophobicContact CG1-CD2 4.42Å; I17-W50 HydrophobicContact CG1-CZ2 3.72Å; I17-W50 HydrophobicContact CG2-CH2 4.07Å; I17-W50 HydrophobicContact CG2-CZ2 3.86Å |
| 18 | Y | 93.1 | Very high | 88.5 | Confident | 32 Ų | 32 | 37.5 Ų | 37.5 | 13% | 0.125 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.5 | -37.2 | -177 | -57.3 | -39.8 | 0 | 0 | 0 | 112.3 | K14 F15 L21 L22 L257 T261 | K14-Y18 HydrophobicContact CB-CD2 4.47Å; K14-Y18 HydrophobicContact CB-CE2 3.94Å; K14-Y18 WeakPolarHBondContact O-CD2 3.43Å; K14-Y18 PolarHBondContact O-N 3.34Å; F15-Y18 PolarHBondContact O-N 3.03Å; Y18-L21 PolarHBondContact O-N 3.39Å; Y18-L22 WeakPolarHBondContact O-CB 3.24Å; Y18-L22 PolarHBondContact O-N 2.87Å; Y18-L257 HydrophobicContact CD1-CB 4.24Å; Y18-L257 HydrophobicContact CD1-CD1 4.43Å; Y18-L257 HydrophobicContact CD2-CB 3.89Å; Y18-L257 HydrophobicContact CE1-CB 4.28Å; Y18-L257 HydrophobicContact CE1-CD1 4.18Å; Y18-L257 HydrophobicContact CE2-CB 3.91Å; Y18-L257 HydrophobicContact CG-CB 4.07Å; Y18-T261 HydrophobicContact CD2-CG2 3.61Å; Y18-T261 HydrophobicContact CE2-CG2 3.63Å |
| 19 | A | 93.9 | Very high | 90 | Very high | 30 Ų | 30 | 32.8 Ų | 32.8 | 25% | 0.248 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.2 | -44.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F15 L16 I17 L22 L23 M258 | F15-A19 HydrophobicContact CE1-CB 4.38Å; F15-A19 VanDerWaalsContact O-CB 3.27Å; F15-A19 WeakPolarHBondContact O-CB 3.26Å; F15-A19 PolarHBondContact O-N 3.45Å; L16-A19 PolarHBondContact O-N 2.99Å; I17-A19 PolarHBondContact O-N 2.67Å; A19-L22 PolarHBondContact O-N 3.08Å; A19-L23 WeakPolarHBondContact O-CB 3.42Å; A19-L23 PolarHBondContact O-N 3.24Å; A19-M258 HydrophobicContact CB-SD 4.36Å |
| 20 | C | 94.9 | Very high | 91.3 | Very high | 7 Ų | 7 | 32.4 Ų | 32.4 | 5% | 0.047 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.8 | -44 | 175.8 | -76.2 | 0 | 0 | 0 | 0 | 111.9 | L16 I17 F24 P46 W50 | L16-C20 VanDerWaalsContact O-CB 3.29Å; L16-C20 WeakPolarHBondContact O-CB 3.39Å; L16-C20 PolarHBondContact O-N 3.43Å; L16-C20 PolarHBondContact O-SG 3.49Å; L16-C20 VanDerWaalsContact O-SG 3.33Å; I17-C20 PolarHBondContact O-N 3Å; C20-F24 VanDerWaalsContact O-CB 3.23Å; C20-F24 WeakPolarHBondContact O-CB 3.32Å; C20-F24 PolarHBondContact O-N 2.86Å; C20-P46 HydrophobicContact CB-CB 4.39Å; C20-P46 WeakPolarHBondContact CB-O 3.22Å; C20-P46 WeakPolarHBondContact O-CB 3.39Å; C20-P46 PolarHBondContact SG-O 2.99Å; C20-W50 HydrophobicContact CB-CB 4.01Å |
| 21 | L | 95 | Very high | 92.1 | Very high | 56 Ų | 56 | 32.6 Ų | 32.6 | 29% | 0.293 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -64 | -41.5 | 176.3 | -71.7 | 174.6 | 0 | 0 | 0 | 111.9 | I17 Y18 S25 I47 W50 L254 | I17-L21 HydrophobicContact CG2-CD1 3.8Å; I17-L21 HydrophobicContact CG2-CG 4.36Å; I17-L21 WeakPolarHBondContact O-CB 3.13Å; I17-L21 VanDerWaalsContact O-CG 3.28Å; I17-L21 WeakPolarHBondContact O-CG 3.29Å; I17-L21 PolarHBondContact O-N 3.49Å; Y18-L21 PolarHBondContact O-N 3.39Å; L21-S25 VanDerWaalsContact O-CB 3.29Å; L21-S25 WeakPolarHBondContact O-CB 3.38Å; L21-S25 PolarHBondContact O-N 2.98Å; L21-S25 PolarHBondContact O-OG 3.29Å; L21-I47 HydrophobicContact CD2-CD1 3.99Å; L21-W50 HydrophobicContact CD2-CZ3 4.32Å; L21-L254 HydrophobicContact CB-CD1 4.43Å; L21-L254 HydrophobicContact CB-CD2 4.23Å |
| 22 | L | 96.6 | Very high | 92.6 | Very high | 32 Ų | 32 | 36.4 Ų | 36.4 | 17% | 0.168 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.5 | -53.6 | 176.3 | 179.1 | 64.1 | 0 | 0 | 0 | 110.4 | Y18 A19 F24 S25 V26 W251 L254 I255 | Y18-L22 WeakPolarHBondContact O-CB 3.24Å; Y18-L22 PolarHBondContact O-N 2.87Å; A19-L22 PolarHBondContact O-N 3.08Å; L22-F24 VanDerWaalsContact C-N 3.33Å; L22-F24 PolarHBondContact O-N 3.41Å; L22-S25 PolarHBondContact O-N 3.17Å; L22-S25 VanDerWaalsContact O-N 3.16Å; L22-S25 PolarHBondContact O-OG 2.98Å; L22-V26 HydrophobicContact CD1-CG2 4.46Å; L22-V26 WeakPolarHBondContact O-CG2 3.22Å; L22-V26 PolarHBondContact O-N 2.81Å; L22-W251 HydrophobicContact CD1-CB 3.84Å; L22-W251 HydrophobicContact CD1-CG 3.98Å; L22-L254 HydrophobicContact CB-CB 4.32Å; L22-L254 HydrophobicContact CB-CD1 4.21Å; L22-L254 HydrophobicContact CD1-CB 4.1Å; L22-L254 HydrophobicContact CD1-CD1 4.25Å; L22-I255 HydrophobicContact CD1-CG1 4.45Å; L22-I255 HydrophobicContact CD2-CG1 3.88Å |
| 23 | L | 96.4 | Very high | 93.2 | Very high | 93 Ų | 93 | 37.7 Ų | 37.7 | 49% | 0.487 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.6 | -43.1 | -179.6 | -175.3 | 60.9 | 0 | 0 | 0 | 111.7 | A19 V26 L27 P46 | A19-L23 WeakPolarHBondContact O-CB 3.42Å; A19-L23 PolarHBondContact O-N 3.24Å; L23-V26 PolarHBondContact O-N 2.92Å; L23-L27 HydrophobicContact CD1-CD1 4.47Å; L23-L27 HydrophobicContact CD1-CG 4.43Å; L23-L27 HydrophobicContact CG-CD1 4.23Å; L23-L27 VanDerWaalsContact O-CG 3.32Å; L23-L27 WeakPolarHBondContact O-CG 3.38Å; L23-L27 PolarHBondContact O-N 3.45Å; L23-P46 HydrophobicContact CB-CB 4.08Å; L23-P46 HydrophobicContact CB-CG 3.97Å; L23-P46 HydrophobicContact CD2-CB 4.05Å; L23-P46 HydrophobicContact CD2-CG 3.63Å; L23-P46 HydrophobicContact CG-CB 4.16Å; L23-P46 HydrophobicContact CG-CG 3.57Å |
| 24 | F | 96.9 | Very high | 93.6 | Very high | 37 Ų | 37 | 38.8 Ų | 38.8 | 16% | 0.162 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.8 | -48.6 | 174.1 | 168.9 | -107.9 | 0 | 0 | 0 | 111.7 | C20 L22 V26 L27 L28 V43 F44 P46 I47 | C20-F24 VanDerWaalsContact O-CB 3.23Å; C20-F24 WeakPolarHBondContact O-CB 3.32Å; C20-F24 PolarHBondContact O-N 2.86Å; L22-F24 VanDerWaalsContact C-N 3.33Å; L22-F24 PolarHBondContact O-N 3.41Å; F24-V26 VanDerWaalsContact C-N 3.29Å; F24-V26 PolarHBondContact O-N 3.14Å; F24-L27 PolarHBondContact O-N 3.39Å; F24-L28 HydrophobicContact CE1-CD2 4.06Å; F24-L28 HydrophobicContact CZ-CD2 3.93Å; F24-L28 VanDerWaalsContact O-CB 3.24Å; F24-L28 WeakPolarHBondContact O-CB 3.23Å; F24-L28 PolarHBondContact O-N 3.4Å; F24-V43 HydrophobicContact CE2-CG1 4.4Å; F24-F44 HydrophobicContact CE2-CD1 4.03Å; F24-F44 AromaticContact CE2-CD2 3.72Å; F24-F44 HydrophobicContact CE2-CD2 3.72Å; F24-F44 HydrophobicContact CE2-CE1 4.07Å; F24-F44 AromaticContact CE2-CE2 3.78Å; F24-F44 HydrophobicContact CE2-CE2 3.78Å; F24-F44 AromaticContact CE2-CG 3.86Å; F24-F44 HydrophobicContact CE2-CG 3.86Å; F24-F44 AromaticContact CE2-CZ 3.95Å; F24-F44 HydrophobicContact CE2-CZ 3.95Å; F24-F44 HydrophobicContact CZ-CE1 4.18Å; F24-F44 HydrophobicContact CZ-CE2 4.17Å; F24-F44 AromaticContact CZ-CZ 3.98Å; F24-F44 HydrophobicContact CZ-CZ 3.98Å; F24-P46 HydrophobicContact CB-CB 4.26Å; F24-P46 HydrophobicContact CB-CG 4.4Å; F24-I47 HydrophobicContact CB-CD1 3.69Å; F24-I47 HydrophobicContact CB-CG1 3.81Å; F24-I47 HydrophobicContact CD1-CD1 4.05Å; F24-I47 HydrophobicContact CD1-CG1 4.13Å; F24-I47 HydrophobicContact CD2-CD1 4.4Å; F24-I47 HydrophobicContact CD2-CG1 3.69Å; F24-I47 HydrophobicContact CE2-CG1 4.28Å; F24-I47 HydrophobicContact CG-CD1 3.78Å; F24-I47 HydrophobicContact CG-CG1 3.59Å |
| 25 | S | 96.6 | Very high | 94 | Very high | 5 Ų | 5 | 42.2 Ų | 42.2 | 4% | 0.035 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.5 | -34.9 | -178.5 | 73.1 | 0 | 0 | 0 | 0 | 112.6 | L21 L22 A29 W251 | L21-S25 VanDerWaalsContact O-CB 3.29Å; L21-S25 WeakPolarHBondContact O-CB 3.38Å; L21-S25 PolarHBondContact O-N 2.98Å; L21-S25 PolarHBondContact O-OG 3.29Å; L22-S25 PolarHBondContact O-N 3.17Å; L22-S25 VanDerWaalsContact O-N 3.16Å; L22-S25 PolarHBondContact O-OG 2.98Å; S25-A29 WeakPolarHBondContact O-CB 3.47Å; S25-A29 PolarHBondContact O-N 3.01Å; S25-W251 PolarHBondContact OG-NE1 3.36Å; S25-W251 VanDerWaalsContact OG-NE1 3.08Å |
| 26 | V | 96.5 | Very high | 94.3 | Very high | 42 Ų | 42 | 40.7 Ų | 40.7 | 26% | 0.255 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67.6 | -51 | 174.4 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | L22 L23 F24 L28 A29 L30 W251 | L22-V26 HydrophobicContact CD1-CG2 4.46Å; L22-V26 WeakPolarHBondContact O-CG2 3.22Å; L22-V26 PolarHBondContact O-N 2.81Å; L23-V26 PolarHBondContact O-N 2.92Å; F24-V26 VanDerWaalsContact C-N 3.29Å; F24-V26 PolarHBondContact O-N 3.14Å; V26-L28 VanDerWaalsContact C-N 3.29Å; V26-L28 PolarHBondContact O-N 3.31Å; V26-A29 PolarHBondContact O-N 3.39Å; V26-L30 HydrophobicContact CG1-CD1 3.78Å; V26-L30 WeakPolarHBondContact O-CB 3.4Å; V26-L30 VanDerWaalsContact O-CG 3.28Å; V26-L30 WeakPolarHBondContact O-CG 3.3Å; V26-L30 PolarHBondContact O-N 3.1Å; V26-W251 HydrophobicContact CB-CZ2 4.38Å; V26-W251 HydrophobicContact CG2-CD2 4.11Å; V26-W251 HydrophobicContact CG2-CG 4.39Å; V26-W251 HydrophobicContact CG2-CZ2 3.92Å |
| 27 | L | 96.3 | Very high | 94.4 | Very high | 23 Ų | 23 | 45.8 Ų | 45.8 | 12% | 0.12 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61 | -39.7 | 178.4 | -68.8 | 175.6 | 0 | 0 | 0 | 111.6 | L23 F24 R31 I36 W38 V43 P46 | L23-L27 HydrophobicContact CD1-CD1 4.47Å; L23-L27 HydrophobicContact CD1-CG 4.43Å; L23-L27 HydrophobicContact CG-CD1 4.23Å; L23-L27 VanDerWaalsContact O-CG 3.32Å; L23-L27 WeakPolarHBondContact O-CG 3.38Å; L23-L27 PolarHBondContact O-N 3.45Å; F24-L27 PolarHBondContact O-N 3.39Å; L27-R31 VanDerWaalsContact O-CB 3.29Å; L27-R31 WeakPolarHBondContact O-CB 3.4Å; L27-R31 PolarHBondContact O-N 2.98Å; L27-I36 HydrophobicContact CD2-CD1 4.47Å; L27-W38 HydrophobicContact CD2-CZ3 4.04Å; L27-V43 HydrophobicContact CB-CG1 4.01Å; L27-P46 HydrophobicContact CD1-CG 3.84Å |
| 28 | L | 95.6 | Very high | 94.6 | Very high | 33 Ų | 33 | 50.4 Ų | 50.4 | 17% | 0.173 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.1 | -48.6 | 177.2 | -178.4 | 65.1 | 0 | 0 | 0 | 111.2 | F24 V26 L30 R31 L32 V43 F247 | F24-L28 HydrophobicContact CE1-CD2 4.06Å; F24-L28 HydrophobicContact CZ-CD2 3.93Å; F24-L28 VanDerWaalsContact O-CB 3.24Å; F24-L28 WeakPolarHBondContact O-CB 3.23Å; F24-L28 PolarHBondContact O-N 3.4Å; V26-L28 VanDerWaalsContact C-N 3.29Å; V26-L28 PolarHBondContact O-N 3.31Å; L28-L30 VanDerWaalsContact C-N 3.35Å; L28-L30 PolarHBondContact O-N 2.98Å; L28-R31 PolarHBondContact O-N 3.01Å; L28-L32 HydrophobicContact CD1-CD1 4.14Å; L28-L32 HydrophobicContact CD1-CG 4.13Å; L28-L32 HydrophobicContact CG-CD1 3.89Å; L28-L32 HydrophobicContact CG-CG 4.29Å; L28-L32 WeakPolarHBondContact O-CB 3.49Å; L28-L32 VanDerWaalsContact O-CG 3.23Å; L28-L32 WeakPolarHBondContact O-CG 3.49Å; L28-L32 PolarHBondContact O-N 3.02Å; L28-V43 HydrophobicContact CB-CG1 4.19Å; L28-V43 HydrophobicContact CD1-CG1 4.4Å; L28-F247 HydrophobicContact CD2-CE1 4.36Å; L28-F247 HydrophobicContact CD2-CZ 4.28Å |
| 29 | A | 94.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S25 V26 R31 L32 D33 C243 I244 F247 W251 | S25-A29 WeakPolarHBondContact O-CB 3.47Å; S25-A29 PolarHBondContact O-N 3.01Å; V26-A29 PolarHBondContact O-N 3.39Å; A29-R31 VanDerWaalsContact C-N 3.32Å; A29-R31 PolarHBondContact O-N 3.17Å; A29-L32 PolarHBondContact O-N 3.42Å; A29-D33 PolarHBondContact O-N 3.02Å; A29-C243 HydrophobicContact CB-CB 4.43Å; A29-I244 HydrophobicContact CB-CG1 4.45Å; A29-F247 HydrophobicContact CB-CB 4.09Å; A29-F247 HydrophobicContact CB-CD1 4.19Å; A29-F247 HydrophobicContact CB-CD2 4.1Å; A29-F247 HydrophobicContact CB-CG 3.87Å; A29-W251 HydrophobicContact CB-CZ2 3.9Å |
| 30 | L | 94.8 | Very high | 94.6 | Very high | 38 Ų | 38 | 52 Ų | 52 | 20% | 0.199 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.5 | -38.4 | 176.6 | -71 | 167.3 | 0 | 0 | 0 | 112.4 | V26 L28 G34 I35 I36 I244 | V26-L30 HydrophobicContact CG1-CD1 3.78Å; V26-L30 WeakPolarHBondContact O-CB 3.4Å; V26-L30 VanDerWaalsContact O-CG 3.28Å; V26-L30 WeakPolarHBondContact O-CG 3.3Å; V26-L30 PolarHBondContact O-N 3.1Å; L28-L30 VanDerWaalsContact C-N 3.35Å; L28-L30 PolarHBondContact O-N 2.98Å; L30-G34 PolarHBondContact O-N 2.97Å; L30-I35 HydrophobicContact CD2-CB 4.33Å; L30-I35 HydrophobicContact CD2-CD1 3.92Å; L30-I35 HydrophobicContact CD2-CG2 4.16Å; L30-I35 PolarHBondContact O-N 2.85Å; L30-I35 VanDerWaalsContact O-N 3.1Å; L30-I36 HydrophobicContact CB-CD1 3.74Å; L30-I36 HydrophobicContact CB-CG1 4.05Å; L30-I36 HydrophobicContact CD1-CD1 3.71Å; L30-I36 HydrophobicContact CG-CD1 4.29Å; L30-I36 PolarHBondContact O-N 3.45Å; L30-I244 HydrophobicContact CD2-CD1 4Å; L30-I244 HydrophobicContact CD2-CG1 4.5Å |
| 31 | R | 94.4 | Very high | 94.6 | Very high | 44 Ų | 44 | 56.3 Ų | 56.3 | 17% | 0.166 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.2 | -44.6 | 176.3 | 180 | 57.2 | 175 | 151.2 | -5.5 | 111.7 | L27 L28 A29 D33 G34 I36 W38 Y40 V43 | L27-R31 VanDerWaalsContact O-CB 3.29Å; L27-R31 WeakPolarHBondContact O-CB 3.4Å; L27-R31 PolarHBondContact O-N 2.98Å; L28-R31 PolarHBondContact O-N 3.01Å; A29-R31 VanDerWaalsContact C-N 3.32Å; A29-R31 PolarHBondContact O-N 3.17Å; R31-D33 PolarHBondContact O-N 3.12Å; R31-G34 PolarHBondContact O-N 2.97Å; R31-I36 WeakPolarHBondContact CD-O 2.96Å; R31-I36 PolarHBondContact NH1-O 3.49Å; R31-W38 WeakPolarHBondContact CD-O 3.25Å; R31-W38 PolarHBondContact NE-O 3.46Å; R31-W38 PolarHBondContact NH2-O 2.95Å; R31-Y40 HydrophobicContact CG-CE1 4.02Å; R31-V43 HydrophobicContact CB-CG2 3.93Å; R31-V43 HydrophobicContact CG-CG2 4.02Å |
| 32 | L | 91.8 | Very high | 94.6 | Very high | 83 Ų | 83 | 55.3 Ų | 55.3 | 44% | 0.435 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.5 | -28.6 | 179.2 | -70 | 173.5 | 0 | 0 | 0 | 112.5 | L28 A29 G34 C243 | L28-L32 HydrophobicContact CD1-CD1 4.14Å; L28-L32 HydrophobicContact CD1-CG 4.13Å; L28-L32 HydrophobicContact CG-CD1 3.89Å; L28-L32 HydrophobicContact CG-CG 4.29Å; L28-L32 WeakPolarHBondContact O-CB 3.49Å; L28-L32 VanDerWaalsContact O-CG 3.23Å; L28-L32 WeakPolarHBondContact O-CG 3.49Å; L28-L32 PolarHBondContact O-N 3.02Å; A29-L32 PolarHBondContact O-N 3.42Å; L32-G34 VanDerWaalsContact C-N 3.3Å; L32-C243 HydrophobicContact CB-CB 4.1Å; L32-C243 WeakPolarHBondContact CB-SG 3.36Å |
| 33 | D | 92.5 | Very high | 94.5 | Very high | 44 Ų | 44 | 53.8 Ų | 53.8 | 24% | 0.235 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 1.6 | 173.2 | -74.6 | -19 | 0 | 0 | 0 | 113.8 | A29 R31 I35 S242 C243 I244 | A29-D33 PolarHBondContact O-N 3.02Å; R31-D33 PolarHBondContact O-N 3.12Å; D33-I35 HydrophobicContact CB-CD1 4.05Å; D33-I35 HydrophobicContact CB-CG1 4.31Å; D33-I35 PolarHBondContact O-N 3.33Å; D33-S242 WeakPolarHBondContact OD2-CB 3.44Å; D33-C243 VanDerWaalsContact OD1-CB 3.27Å; D33-C243 WeakPolarHBondContact OD1-CB 3.32Å; D33-C243 PolarHBondContact OD1-N 3.05Å; D33-C243 PolarHBondContact OD1-SG 3.36Å; D33-C243 PolarHBondContact OD2-N 2.88Å; D33-I244 WeakPolarHBondContact OD2-CG1 3.42Å; D33-I244 PolarHBondContact OD2-N 3.24Å |
| 34 | G | 90.9 | Very high | 94.5 | Very high | 37 Ų | 37 | 50 Ų | 50 | 38% | 0.381 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 7.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L30 R31 L32 I36 Q37 | L30-G34 PolarHBondContact O-N 2.97Å; R31-G34 PolarHBondContact O-N 2.97Å; L32-G34 VanDerWaalsContact C-N 3.3Å; G34-I36 VanDerWaalsContact C-N 3.31Å; G34-Q37 PolarHBondContact O-NE2 3.28Å; G34-Q37 VanDerWaalsContact O-NE2 3.11Å |
| 35 | I | 93.6 | Very high | 94.4 | Very high | 108 Ų | 108 | 50.5 Ų | 50.5 | 55% | 0.554 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -67.1 | -37.5 | 178.2 | -65.8 | 162.4 | 0 | 0 | 0 | 110.3 | L30 D33 I244 | L30-I35 HydrophobicContact CD2-CB 4.33Å; L30-I35 HydrophobicContact CD2-CD1 3.92Å; L30-I35 HydrophobicContact CD2-CG2 4.16Å; L30-I35 PolarHBondContact O-N 2.85Å; L30-I35 VanDerWaalsContact O-N 3.1Å; D33-I35 HydrophobicContact CB-CD1 4.05Å; D33-I35 HydrophobicContact CB-CG1 4.31Å; D33-I35 PolarHBondContact O-N 3.33Å; I35-I244 HydrophobicContact CD1-CD1 3.36Å |
| 36 | I | 95.2 | Very high | 94.4 | Very high | 32 Ų | 32 | 50.6 Ų | 50.6 | 16% | 0.164 | 27% | 0.265 | C | S | . | . | trans | -110.7 | 134.2 | 177.4 | -61.8 | 179.9 | 0 | 0 | 0 | 109.7 | L27 L30 R31 G34 W38 | L27-I36 HydrophobicContact CD2-CD1 4.47Å; L30-I36 HydrophobicContact CB-CD1 3.74Å; L30-I36 HydrophobicContact CB-CG1 4.05Å; L30-I36 HydrophobicContact CD1-CD1 3.71Å; L30-I36 HydrophobicContact CG-CD1 4.29Å; L30-I36 PolarHBondContact O-N 3.45Å; R31-I36 WeakPolarHBondContact CD-O 2.96Å; R31-I36 PolarHBondContact NH1-O 3.49Å; G34-I36 VanDerWaalsContact C-N 3.31Å; I36-W38 HydrophobicContact CG2-CB 3.71Å; I36-W38 HydrophobicContact CG2-CD2 3.57Å; I36-W38 HydrophobicContact CG2-CE3 4.3Å; I36-W38 HydrophobicContact CG2-CG 3.25Å | ||
| 37 | Q | 93 | Very high | 94.3 | Very high | 143 Ų | 143 | 49 Ų | 49 | 67% | 0.668 | 25% | 0.254 | S | S | * | . | trans | -99.3 | 22.6 | 179.7 | -63.4 | -62.3 | -22.4 | 0 | 0 | 114.3 | G34 | G34-Q37 PolarHBondContact O-NE2 3.28Å; G34-Q37 VanDerWaalsContact O-NE2 3.11Å | ||
| 38 | W | 93.3 | Very high | 94.2 | Very high | 139 Ų | 139 | 50.4 Ų | 50.4 | 53% | 0.527 | 26% | 0.258 | S | S | . | . | trans | -73.3 | 151 | -179.2 | -65.5 | 1.8 | 0 | 0 | 0 | 111.8 | L27 R31 I36 A42 | L27-W38 HydrophobicContact CD2-CZ3 4.04Å; R31-W38 WeakPolarHBondContact CD-O 3.25Å; R31-W38 PolarHBondContact NE-O 3.46Å; R31-W38 PolarHBondContact NH2-O 2.95Å; I36-W38 HydrophobicContact CG2-CB 3.71Å; I36-W38 HydrophobicContact CG2-CD2 3.57Å; I36-W38 HydrophobicContact CG2-CE3 4.3Å; I36-W38 HydrophobicContact CG2-CG 3.25Å; W38-A42 HydrophobicContact CB-CB 4.21Å; W38-A42 HydrophobicContact CE3-CB 4.2Å | ||
| 39 | S | 94.3 | Very high | 94.1 | Very high | 49 Ų | 49 | 52.6 Ų | 52.6 | 34% | 0.343 | 27% | 0.27 | S | S | . | . | trans | -59.8 | 152.8 | 169.2 | 67.5 | 0 | 0 | 0 | 0 | 111.5 | W41 A42 V43 | S39-W41 PolarHBondContact O-N 2.95Å; S39-A42 PolarHBondContact O-N 3.41Å; S39-A42 PolarHBondContact OG-N 3.38Å; S39-V43 PolarHBondContact O-N 3.35Å | ||
| 40 | Y | 93.1 | Very high | 94 | Very high | 46 Ų | 46 | 53.6 Ų | 53.6 | 18% | 0.18 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.9 | -27.8 | 176.3 | -75.6 | -84.5 | 0 | 0 | 0 | 111.9 | R31 A42 V43 F44 I105 E106 | R31-Y40 HydrophobicContact CG-CE1 4.02Å; Y40-A42 VanDerWaalsContact C-N 3.3Å; Y40-A42 PolarHBondContact O-N 2.93Å; Y40-V43 PolarHBondContact O-N 2.96Å; Y40-F44 VanDerWaalsContact O-CD2 3.26Å; Y40-F44 WeakPolarHBondContact O-CD2 3.44Å; Y40-F44 PolarHBondContact O-N 3.29Å; Y40-I105 HydrophobicContact CD1-CG2 3.79Å; Y40-I105 HydrophobicContact CD2-CB 4.46Å; Y40-I105 HydrophobicContact CD2-CG2 3.44Å; Y40-I105 VanDerWaalsContact CD2-CG2 3.44Å; Y40-I105 HydrophobicContact CE1-CG2 3.7Å; Y40-I105 HydrophobicContact CE2-CG2 3.33Å; Y40-I105 HydrophobicContact CG-CB 4.44Å; Y40-I105 HydrophobicContact CG-CG2 3.66Å; Y40-I105 VanDerWaalsContact CZ-CG2 3.45Å; Y40-E106 WeakPolarHBondContact CD2-OE2 3.43Å; Y40-E106 PolarHBondContact N-OE2 3.06Å |
| 41 | W | 94.6 | Very high | 93.8 | Very high | 98 Ų | 98 | 52 Ų | 52 | 37% | 0.371 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -56.3 | -41.3 | 171.7 | -67.8 | 95.3 | 0 | 0 | 0 | 113.4 | S39 W48 V99 C102 | S39-W41 PolarHBondContact O-N 2.95Å; W41-W48 HydrophobicContact CE3-CZ2 4.17Å; W41-W48 HydrophobicContact CZ3-CZ2 4.28Å; W41-W48 PolarHBondContact O-NE1 3.05Å; W41-W48 VanDerWaalsContact O-NE1 3.08Å; W41-V99 HydrophobicContact CH2-CG1 4.19Å; W41-C102 HydrophobicContact CD2-CB 4.37Å; W41-C102 HydrophobicContact CE3-CB 4.48Å; W41-C102 HydrophobicContact CH2-CB 4.46Å; W41-C102 HydrophobicContact CZ2-CB 4.33Å |
| 42 | A | 94.8 | Very high | 93.7 | Very high | 35 Ų | 35 | 54.7 Ų | 54.7 | 29% | 0.289 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -74.8 | -35.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | W38 S39 Y40 F44 A45 | W38-A42 HydrophobicContact CB-CB 4.21Å; W38-A42 HydrophobicContact CE3-CB 4.2Å; S39-A42 PolarHBondContact O-N 3.41Å; S39-A42 PolarHBondContact OG-N 3.38Å; Y40-A42 VanDerWaalsContact C-N 3.3Å; Y40-A42 PolarHBondContact O-N 2.93Å; A42-F44 VanDerWaalsContact C-N 3.27Å; A42-F44 PolarHBondContact O-N 3.46Å; A42-A45 WeakPolarHBondContact O-CB 3.28Å; A42-A45 PolarHBondContact O-N 2.86Å; A42-A45 VanDerWaalsContact O-N 3.14Å |
| 43 | V | 95.7 | Very high | 93.6 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.2 | -36.8 | 175.4 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | F24 L27 L28 R31 S39 Y40 A45 P46 | F24-V43 HydrophobicContact CE2-CG1 4.4Å; L27-V43 HydrophobicContact CB-CG1 4.01Å; L28-V43 HydrophobicContact CB-CG1 4.19Å; L28-V43 HydrophobicContact CD1-CG1 4.4Å; R31-V43 HydrophobicContact CB-CG2 3.93Å; R31-V43 HydrophobicContact CG-CG2 4.02Å; S39-V43 PolarHBondContact O-N 3.35Å; Y40-V43 PolarHBondContact O-N 2.96Å; V43-A45 VanDerWaalsContact C-N 3.28Å; V43-A45 PolarHBondContact O-N 3.18Å; V43-P46 VanDerWaalsContact O-CD 3.29Å; V43-P46 WeakPolarHBondContact O-CD 3.45Å |
| 44 | F | 95.7 | Very high | 93.5 | Very high | 14 Ų | 14 | 52.7 Ų | 52.7 | 6% | 0.061 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -3.1 | 177.4 | -83.4 | -114.2 | 0 | 0 | 0 | 114.3 | F24 Y40 A42 P46 I47 W48 E98 V101 C102 | F24-F44 HydrophobicContact CE2-CD1 4.03Å; F24-F44 AromaticContact CE2-CD2 3.72Å; F24-F44 HydrophobicContact CE2-CD2 3.72Å; F24-F44 HydrophobicContact CE2-CE1 4.07Å; F24-F44 AromaticContact CE2-CE2 3.78Å; F24-F44 HydrophobicContact CE2-CE2 3.78Å; F24-F44 AromaticContact CE2-CG 3.86Å; F24-F44 HydrophobicContact CE2-CG 3.86Å; F24-F44 AromaticContact CE2-CZ 3.95Å; F24-F44 HydrophobicContact CE2-CZ 3.95Å; F24-F44 HydrophobicContact CZ-CE1 4.18Å; F24-F44 HydrophobicContact CZ-CE2 4.17Å; F24-F44 AromaticContact CZ-CZ 3.98Å; F24-F44 HydrophobicContact CZ-CZ 3.98Å; Y40-F44 VanDerWaalsContact O-CD2 3.26Å; Y40-F44 WeakPolarHBondContact O-CD2 3.44Å; Y40-F44 PolarHBondContact O-N 3.29Å; A42-F44 VanDerWaalsContact C-N 3.27Å; A42-F44 PolarHBondContact O-N 3.46Å; F44-P46 VanDerWaalsContact C-N 3.33Å; F44-P46 VanDerWaalsContact O-N 3.16Å; F44-I47 WeakPolarHBondContact O-CA 3.21Å; F44-I47 WeakPolarHBondContact O-CB 3.17Å; F44-I47 PolarHBondContact O-N 3.15Å; F44-W48 HydrophobicContact CB-CD2 4.27Å; F44-W48 VanDerWaalsContact CB-CE2 3.42Å; F44-W48 HydrophobicContact CB-CH2 4.38Å; F44-W48 HydrophobicContact CB-CZ2 3.5Å; F44-W48 HydrophobicContact CD1-CH2 4.23Å; F44-W48 HydrophobicContact CD1-CZ2 4.11Å; F44-W48 HydrophobicContact CG-CZ2 4.1Å; F44-W48 PolarHBondContact O-N 3.14Å; F44-E98 HydrophobicContact CD1-CB 4.44Å; F44-E98 HydrophobicContact CE1-CB 4.42Å; F44-V101 HydrophobicContact CZ-CG1 4.01Å; F44-C102 WeakPolarHBondContact CD1-SG 3.41Å; F44-C102 WeakPolarHBondContact CD2-SG 3.36Å; F44-C102 WeakPolarHBondContact CG-SG 2.84Å |
| 45 | A | 94.9 | Very high | 93.5 | Very high | 47 Ų | 47 | 53.3 Ų | 53.3 | 39% | 0.388 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -47.8 | -42.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | A42 V43 I47 W48 L49 | A42-A45 WeakPolarHBondContact O-CB 3.28Å; A42-A45 PolarHBondContact O-N 2.86Å; A42-A45 VanDerWaalsContact O-N 3.14Å; V43-A45 VanDerWaalsContact C-N 3.28Å; V43-A45 PolarHBondContact O-N 3.18Å; A45-I47 VanDerWaalsContact C-N 3.28Å; A45-I47 PolarHBondContact O-N 3.06Å; A45-W48 VanDerWaalsContact CA-CD1 3.45Å; A45-W48 PolarHBondContact O-N 2.72Å; A45-L49 PolarHBondContact O-N 2.91Å |
| 46 | P | 96.2 | Very high | 93.3 | Very high | 6 Ų | 6 | 51.1 Ų | 51.1 | 4% | 0.039 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.2 | -34.7 | 177.5 | -21.8 | 34.8 | 0 | 0 | 0 | 112.9 | C20 L23 F24 L27 V43 F44 W50 | C20-P46 HydrophobicContact CB-CB 4.39Å; C20-P46 WeakPolarHBondContact CB-O 3.22Å; C20-P46 WeakPolarHBondContact O-CB 3.39Å; C20-P46 PolarHBondContact SG-O 2.99Å; L23-P46 HydrophobicContact CB-CB 4.08Å; L23-P46 HydrophobicContact CB-CG 3.97Å; L23-P46 HydrophobicContact CD2-CB 4.05Å; L23-P46 HydrophobicContact CD2-CG 3.63Å; L23-P46 HydrophobicContact CG-CB 4.16Å; L23-P46 HydrophobicContact CG-CG 3.57Å; F24-P46 HydrophobicContact CB-CB 4.26Å; F24-P46 HydrophobicContact CB-CG 4.4Å; L27-P46 HydrophobicContact CD1-CG 3.84Å; V43-P46 VanDerWaalsContact O-CD 3.29Å; V43-P46 WeakPolarHBondContact O-CD 3.45Å; F44-P46 VanDerWaalsContact C-N 3.33Å; F44-P46 VanDerWaalsContact O-N 3.16Å; P46-W50 PolarHBondContact O-N 3.5Å; P46-W50 VanDerWaalsContact O-N 3.15Å |
| 47 | I | 94.7 | Very high | 93 | Very high | 8 Ų | 8 | 49.9 Ų | 49.9 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -73 | -42.2 | 177.8 | -55.1 | -57.4 | 0 | 0 | 0 | 110.3 | L21 F24 F44 A45 L49 W50 K51 E98 | L21-I47 HydrophobicContact CD2-CD1 3.99Å; F24-I47 HydrophobicContact CB-CD1 3.69Å; F24-I47 HydrophobicContact CB-CG1 3.81Å; F24-I47 HydrophobicContact CD1-CD1 4.05Å; F24-I47 HydrophobicContact CD1-CG1 4.13Å; F24-I47 HydrophobicContact CD2-CD1 4.4Å; F24-I47 HydrophobicContact CD2-CG1 3.69Å; F24-I47 HydrophobicContact CE2-CG1 4.28Å; F24-I47 HydrophobicContact CG-CD1 3.78Å; F24-I47 HydrophobicContact CG-CG1 3.59Å; F44-I47 WeakPolarHBondContact O-CA 3.21Å; F44-I47 WeakPolarHBondContact O-CB 3.17Å; F44-I47 PolarHBondContact O-N 3.15Å; A45-I47 VanDerWaalsContact C-N 3.28Å; A45-I47 PolarHBondContact O-N 3.06Å; I47-L49 VanDerWaalsContact C-N 3.28Å; I47-L49 PolarHBondContact O-N 3.39Å; I47-W50 HydrophobicContact CD1-CE3 4.48Å; I47-W50 HydrophobicContact CG2-CE3 4.48Å; I47-W50 WeakPolarHBondContact O-CB 3.42Å; I47-W50 PolarHBondContact O-N 3.38Å; I47-W50 VanDerWaalsContact O-N 3.14Å; I47-K51 WeakPolarHBondContact O-CG 3.41Å; I47-K51 PolarHBondContact O-N 3.24Å; I47-E98 HydrophobicContact CG2-CG 4.27Å; I47-E98 WeakPolarHBondContact CG2-OE1 3.16Å; I47-E98 WeakPolarHBondContact CG2-OE2 3.46Å |
| 48 | W | 94.4 | Very high | 92.7 | Very high | 53 Ų | 53 | 43.5 Ų | 43.5 | 20% | 0.201 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.9 | -44 | 173.5 | -50.9 | 142.8 | 0 | 0 | 0 | 111.7 | W41 F44 A45 W50 K51 L52 L95 E98 V99 C102 | W41-W48 HydrophobicContact CE3-CZ2 4.17Å; W41-W48 HydrophobicContact CZ3-CZ2 4.28Å; W41-W48 PolarHBondContact O-NE1 3.05Å; W41-W48 VanDerWaalsContact O-NE1 3.08Å; F44-W48 HydrophobicContact CB-CD2 4.27Å; F44-W48 VanDerWaalsContact CB-CE2 3.42Å; F44-W48 HydrophobicContact CB-CH2 4.38Å; F44-W48 HydrophobicContact CB-CZ2 3.5Å; F44-W48 HydrophobicContact CD1-CH2 4.23Å; F44-W48 HydrophobicContact CD1-CZ2 4.11Å; F44-W48 HydrophobicContact CG-CZ2 4.1Å; F44-W48 PolarHBondContact O-N 3.14Å; A45-W48 VanDerWaalsContact CA-CD1 3.45Å; A45-W48 PolarHBondContact O-N 2.72Å; W48-W50 VanDerWaalsContact C-N 3.33Å; W48-W50 PolarHBondContact O-N 3.17Å; W48-K51 PolarHBondContact O-N 3.3Å; W48-L52 VanDerWaalsContact O-CB 3.25Å; W48-L52 WeakPolarHBondContact O-CB 3.43Å; W48-L52 PolarHBondContact O-N 3.36Å; W48-L95 HydrophobicContact CE3-CD1 3.56Å; W48-L95 HydrophobicContact CZ3-CD1 3.6Å; W48-E98 HydrophobicContact CH2-CB 3.78Å; W48-E98 HydrophobicContact CZ3-CB 3.57Å; W48-V99 HydrophobicContact CH2-CB 4.5Å; W48-V99 HydrophobicContact CH2-CG2 3.81Å; W48-V99 HydrophobicContact CZ3-CG2 3.84Å; W48-C102 HydrophobicContact CZ2-CB 4.4Å; W48-C102 VanDerWaalsContact CZ2-SG 3.51Å |
| 49 | L | 93.1 | Very high | 92.6 | Very high | 80 Ų | 80 | 40.4 Ų | 40.4 | 42% | 0.419 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59 | -45.4 | 176.7 | 179 | 64 | 0 | 0 | 0 | 111.4 | A45 I47 L52 M53 | A45-L49 PolarHBondContact O-N 2.91Å; I47-L49 VanDerWaalsContact C-N 3.28Å; I47-L49 PolarHBondContact O-N 3.39Å; L49-L52 PolarHBondContact O-N 3.21Å; L49-M53 HydrophobicContact CD1-CE 4.14Å; L49-M53 VanDerWaalsContact O-CG 3.31Å; L49-M53 WeakPolarHBondContact O-CG 3.18Å; L49-M53 PolarHBondContact O-N 3.16Å |
| 50 | W | 92.4 | Very high | 92.3 | Very high | 21 Ų | 21 | 41 Ų | 41 | 8% | 0.08 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60 | -50.4 | 176.4 | 169.9 | 32.3 | 0 | 0 | 0 | 112 | I17 C20 L21 P46 I47 W48 L52 M53 V54 H91 | I17-W50 HydrophobicContact CB-CZ2 4.39Å; I17-W50 HydrophobicContact CD1-CZ2 4.07Å; I17-W50 HydrophobicContact CG1-CD2 4.42Å; I17-W50 HydrophobicContact CG1-CZ2 3.72Å; I17-W50 HydrophobicContact CG2-CH2 4.07Å; I17-W50 HydrophobicContact CG2-CZ2 3.86Å; C20-W50 HydrophobicContact CB-CB 4.01Å; L21-W50 HydrophobicContact CD2-CZ3 4.32Å; P46-W50 PolarHBondContact O-N 3.5Å; P46-W50 VanDerWaalsContact O-N 3.15Å; I47-W50 HydrophobicContact CD1-CE3 4.48Å; I47-W50 HydrophobicContact CG2-CE3 4.48Å; I47-W50 WeakPolarHBondContact O-CB 3.42Å; I47-W50 PolarHBondContact O-N 3.38Å; I47-W50 VanDerWaalsContact O-N 3.14Å; W48-W50 VanDerWaalsContact C-N 3.33Å; W48-W50 PolarHBondContact O-N 3.17Å; W50-L52 VanDerWaalsContact C-N 3.34Å; W50-L52 PolarHBondContact O-N 3.48Å; W50-M53 PolarHBondContact O-N 3.33Å; W50-V54 PolarHBondContact O-N 3.33Å; W50-V54 VanDerWaalsContact O-N 3.13Å; W50-H91 AromaticContact CE2-CE1 3.78Å; W50-H91 AromaticContact CZ2-CE1 3.47Å; W50-H91 VanDerWaalsContact CZ2-CE1 3.47Å; W50-H91 WeakPolarHBondContact CZ2-CE1 3.49Å; W50-H91 AromaticContact NE1-CE1 3.97Å |
| 51 | K | 92.2 | Very high | 91.9 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.017 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.3 | -40.8 | 179.4 | -58.4 | -52.3 | -173.4 | -166.9 | 0 | 112 | I47 W48 M53 V54 I55 H91 L95 E98 | I47-K51 WeakPolarHBondContact O-CG 3.41Å; I47-K51 PolarHBondContact O-N 3.24Å; W48-K51 PolarHBondContact O-N 3.3Å; K51-M53 VanDerWaalsContact C-N 3.32Å; K51-M53 PolarHBondContact O-N 2.9Å; K51-V54 WeakPolarHBondContact O-CB 3.4Å; K51-V54 PolarHBondContact O-N 2.9Å; K51-V54 VanDerWaalsContact O-N 3.17Å; K51-I55 WeakPolarHBondContact O-CG1 3.48Å; K51-I55 PolarHBondContact O-N 3.05Å; K51-H91 HydrophobicContact CD-CB 4.47Å; K51-L95 HydrophobicContact CB-CD1 3.98Å; K51-L95 HydrophobicContact CG-CB 4.31Å; K51-L95 HydrophobicContact CG-CD1 3.92Å; K51-E98 WeakPolarHBondContact CE-OE1 3.32Å; K51-E98 WeakPolarHBondContact CE-OE2 3.47Å; K51-E98 IonicContact NZ-OE1 2.7Å; K51-E98 PolarHBondContact NZ-OE1 3.15Å; K51-E98 IonicContact NZ-OE2 2.74Å |
| 52 | L | 92.3 | Very high | 91.6 | Very high | 100 Ų | 100 | 37 Ų | 37 | 52% | 0.524 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -57.9 | -46.7 | 176.4 | -179.2 | 66.6 | 0 | 0 | 0 | 110.7 | W48 L49 W50 V54 I55 V56 | W48-L52 VanDerWaalsContact O-CB 3.25Å; W48-L52 WeakPolarHBondContact O-CB 3.43Å; W48-L52 PolarHBondContact O-N 3.36Å; L49-L52 PolarHBondContact O-N 3.21Å; W50-L52 VanDerWaalsContact C-N 3.34Å; W50-L52 PolarHBondContact O-N 3.48Å; L52-V54 VanDerWaalsContact C-N 3.3Å; L52-V54 PolarHBondContact O-N 3.34Å; L52-I55 PolarHBondContact O-N 3.33Å; L52-V56 HydrophobicContact CD1-CG2 4.19Å; L52-V56 HydrophobicContact CG-CG2 4.32Å; L52-V56 VanDerWaalsContact O-CG2 3.29Å; L52-V56 WeakPolarHBondContact O-CG2 3.36Å; L52-V56 PolarHBondContact O-N 2.93Å |
| 53 | M | 89.4 | Confident | 91.2 | Very high | 67 Ų | 67 | 36.9 Ų | 36.9 | 33% | 0.33 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60 | -39.6 | 177 | -72.5 | -65.4 | -174.2 | 0 | 0 | 112.4 | L16 L49 W50 K51 G57 W271 F272 | L16-M53 HydrophobicContact CD2-CB 3.87Å; L16-M53 HydrophobicContact CD2-CG 3.96Å; L49-M53 HydrophobicContact CD1-CE 4.14Å; L49-M53 VanDerWaalsContact O-CG 3.31Å; L49-M53 WeakPolarHBondContact O-CG 3.18Å; L49-M53 PolarHBondContact O-N 3.16Å; W50-M53 PolarHBondContact O-N 3.33Å; K51-M53 VanDerWaalsContact C-N 3.32Å; K51-M53 PolarHBondContact O-N 2.9Å; M53-G57 PolarHBondContact O-N 3.45Å; M53-W271 HydrophobicContact CB-CH2 4.48Å; M53-F272 HydrophobicContact SD-CZ 3.86Å |
| 54 | V | 89.6 | Confident | 90.7 | Very high | 18 Ų | 18 | 38.8 Ų | 38.8 | 11% | 0.109 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.3 | -45.7 | 174.9 | 173.9 | 0 | 0 | 0 | 0 | 111.4 | W50 K51 L52 G57 A58 V88 H91 | W50-V54 PolarHBondContact O-N 3.33Å; W50-V54 VanDerWaalsContact O-N 3.13Å; K51-V54 WeakPolarHBondContact O-CB 3.4Å; K51-V54 PolarHBondContact O-N 2.9Å; K51-V54 VanDerWaalsContact O-N 3.17Å; L52-V54 VanDerWaalsContact C-N 3.3Å; L52-V54 PolarHBondContact O-N 3.34Å; V54-G57 PolarHBondContact O-N 2.88Å; V54-A58 WeakPolarHBondContact O-CB 3.38Å; V54-A58 PolarHBondContact O-N 3.39Å; V54-V88 HydrophobicContact CG1-CG2 4.2Å; V54-H91 HydrophobicContact CG1-CB 4.05Å |
| 55 | I | 91.2 | Very high | 90.2 | Very high | 51 Ų | 51 | 39.5 Ų | 39.5 | 26% | 0.262 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.3 | -44.3 | -179.5 | -66.4 | 165.8 | 0 | 0 | 0 | 111 | K51 L52 A58 S59 L92 L95 | K51-I55 WeakPolarHBondContact O-CG1 3.48Å; K51-I55 PolarHBondContact O-N 3.05Å; L52-I55 PolarHBondContact O-N 3.33Å; I55-A58 PolarHBondContact O-N 2.9Å; I55-S59 WeakPolarHBondContact O-CB 3.38Å; I55-S59 PolarHBondContact O-N 3.43Å; I55-S59 PolarHBondContact O-OG 2.93Å; I55-L92 HydrophobicContact CD1-CD2 3.84Å; I55-L92 HydrophobicContact CG1-CD2 4.12Å; I55-L95 HydrophobicContact CD1-CD2 4.07Å |
| 56 | V | 89.9 | Confident | 89.8 | Confident | 62 Ų | 62 | 40.4 Ų | 40.4 | 38% | 0.376 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.7 | -46.6 | 176.7 | 177.1 | 0 | 0 | 0 | 0 | 110 | L52 A58 S59 V60 F272 | L52-V56 HydrophobicContact CD1-CG2 4.19Å; L52-V56 HydrophobicContact CG-CG2 4.32Å; L52-V56 VanDerWaalsContact O-CG2 3.29Å; L52-V56 WeakPolarHBondContact O-CG2 3.36Å; L52-V56 PolarHBondContact O-N 2.93Å; V56-A58 VanDerWaalsContact C-N 3.3Å; V56-A58 PolarHBondContact O-N 3.42Å; V56-S59 PolarHBondContact O-N 3.16Å; V56-S59 VanDerWaalsContact O-N 3.16Å; V56-V60 HydrophobicContact CG1-CG2 4.45Å; V56-V60 WeakPolarHBondContact O-CG2 3.29Å; V56-V60 PolarHBondContact O-N 3.48Å; V56-F272 HydrophobicContact CB-CE1 4.28Å; V56-F272 HydrophobicContact CG1-CD1 4.47Å; V56-F272 HydrophobicContact CG1-CE1 3.81Å |
| 57 | G | 87.4 | Confident | 89.3 | Confident | 6 Ų | 6 | 50.2 Ų | 50.2 | 6% | 0.062 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57 | -43.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | M53 V54 G61 | M53-G57 PolarHBondContact O-N 3.45Å; V54-G57 PolarHBondContact O-N 2.88Å; G57-G61 PolarHBondContact O-N 2.84Å |
| 58 | A | 88.7 | Confident | 88.7 | Confident | 9 Ų | 9 | 52.5 Ų | 52.5 | 7% | 0.074 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.6 | -36.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114 | V54 I55 V56 G61 T62 M84 V88 | V54-A58 WeakPolarHBondContact O-CB 3.38Å; V54-A58 PolarHBondContact O-N 3.39Å; I55-A58 PolarHBondContact O-N 2.9Å; V56-A58 VanDerWaalsContact C-N 3.3Å; V56-A58 PolarHBondContact O-N 3.42Å; A58-G61 PolarHBondContact O-N 2.75Å; A58-T62 WeakPolarHBondContact O-CB 3.29Å; A58-T62 PolarHBondContact O-N 3.08Å; A58-T62 PolarHBondContact O-OG1 2.87Å; A58-M84 HydrophobicContact CB-SD 4.48Å; A58-V88 HydrophobicContact CB-CB 4.32Å; A58-V88 HydrophobicContact CB-CG1 4.29Å; A58-V88 HydrophobicContact CB-CG2 3.18Å |
| 59 | S | 89.3 | Confident | 88 | Confident | 73 Ų | 73 | 53.9 Ų | 53.9 | 51% | 0.51 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.2 | -45.3 | 176.1 | -59.2 | 0 | 0 | 0 | 0 | 110.5 | I55 V56 T62 G63 | I55-S59 WeakPolarHBondContact O-CB 3.38Å; I55-S59 PolarHBondContact O-N 3.43Å; I55-S59 PolarHBondContact O-OG 2.93Å; V56-S59 PolarHBondContact O-N 3.16Å; V56-S59 VanDerWaalsContact O-N 3.16Å; S59-T62 PolarHBondContact O-N 3.49Å; S59-G63 PolarHBondContact O-N 3.32Å |
| 60 | V | 88.1 | Confident | 87.2 | Confident | 63 Ų | 63 | 57.3 Ų | 57.3 | 38% | 0.382 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.8 | -47.6 | 173.9 | 175.7 | 0 | 0 | 0 | 0 | 110.7 | V56 T62 G63 V64 F272 | V56-V60 HydrophobicContact CG1-CG2 4.45Å; V56-V60 WeakPolarHBondContact O-CG2 3.29Å; V56-V60 PolarHBondContact O-N 3.48Å; V60-T62 VanDerWaalsContact C-N 3.31Å; V60-T62 PolarHBondContact O-N 3.19Å; V60-G63 PolarHBondContact O-N 3.49Å; V60-G63 VanDerWaalsContact O-N 3.11Å; V60-V64 HydrophobicContact CG1-CG2 4.47Å; V60-V64 WeakPolarHBondContact O-CG2 3.48Å; V60-V64 PolarHBondContact O-N 2.93Å; V60-F272 WeakPolarHBondContact CG1-O 3.23Å |
| 61 | G | 86 | Confident | 86.2 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.4 | -42.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G57 A58 V64 W65 W270 | G57-G61 PolarHBondContact O-N 2.84Å; A58-G61 PolarHBondContact O-N 2.75Å; G61-V64 PolarHBondContact O-N 3.27Å; G61-W65 WeakPolarHBondContact O-CB 3.27Å; G61-W65 PolarHBondContact O-N 3.27Å; G61-W270 WeakPolarHBondContact O-CZ3 3.22Å |
| 62 | T | 87.9 | Confident | 85.4 | Confident | 58 Ų | 58 | 65.9 Ų | 65.9 | 36% | 0.356 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.1 | -40.2 | 175.3 | -55.6 | 0 | 0 | 0 | 0 | 111.9 | A58 S59 V60 W65 A66 F81 | A58-T62 WeakPolarHBondContact O-CB 3.29Å; A58-T62 PolarHBondContact O-N 3.08Å; A58-T62 PolarHBondContact O-OG1 2.87Å; S59-T62 PolarHBondContact O-N 3.49Å; V60-T62 VanDerWaalsContact C-N 3.31Å; V60-T62 PolarHBondContact O-N 3.19Å; T62-W65 PolarHBondContact O-N 3.47Å; T62-A66 WeakPolarHBondContact O-CB 3.28Å; T62-A66 PolarHBondContact O-N 3.47Å; T62-F81 HydrophobicContact CG2-CZ 4.38Å |
| 63 | G | 86.6 | Confident | 84.4 | Confident | 33 Ų | 33 | 65.5 Ų | 65.5 | 34% | 0.34 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S59 V60 A66 R67 | S59-G63 PolarHBondContact O-N 3.32Å; V60-G63 PolarHBondContact O-N 3.49Å; V60-G63 VanDerWaalsContact O-N 3.11Å; G63-A66 PolarHBondContact O-N 3.16Å; G63-R67 WeakPolarHBondContact O-CG 3.22Å; G63-R67 PolarHBondContact O-N 3.05Å |
| 64 | V | 85.6 | Confident | 83.8 | Confident | 42 Ų | 42 | 67.4 Ų | 67.4 | 26% | 0.255 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.2 | -42.9 | 175.8 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | V60 G61 A66 R67 N68 Y71 | V60-V64 HydrophobicContact CG1-CG2 4.47Å; V60-V64 WeakPolarHBondContact O-CG2 3.48Å; V60-V64 PolarHBondContact O-N 2.93Å; G61-V64 PolarHBondContact O-N 3.27Å; V64-A66 VanDerWaalsContact C-N 3.34Å; V64-A66 PolarHBondContact O-N 3.45Å; V64-R67 PolarHBondContact O-N 3.03Å; V64-N68 PolarHBondContact O-N 2.85Å; V64-N68 PolarHBondContact O-ND2 3.47Å; V64-Y71 HydrophobicContact CG1-CE2 4.09Å |
| 65 | W | 84.3 | Confident | 83.1 | Confident | 28 Ų | 28 | 69 Ų | 69 | 11% | 0.106 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.7 | -41.9 | 175.6 | -179.9 | -96.1 | 0 | 0 | 0 | 112.3 | G61 T62 R67 Y71 R72 C78 F81 W270 | G61-W65 WeakPolarHBondContact O-CB 3.27Å; G61-W65 PolarHBondContact O-N 3.27Å; T62-W65 PolarHBondContact O-N 3.47Å; W65-R67 PolarHBondContact O-N 3.37Å; W65-Y71 HydrophobicContact CE3-CD2 4.37Å; W65-Y71 WeakPolarHBondContact CH2-O 3.5Å; W65-R72 HydrophobicContact CH2-CG 4.45Å; W65-R72 HydrophobicContact CZ2-CG 3.88Å; W65-C78 HydrophobicContact CH2-CB 3.92Å; W65-F81 HydrophobicContact CB-CD2 3.9Å; W65-F81 HydrophobicContact CB-CE2 3.63Å; W65-F81 HydrophobicContact CB-CZ 4.16Å; W65-F81 AromaticContact CD1-CE1 3.76Å; W65-F81 AromaticContact CD1-CZ 3.69Å; W65-F81 HydrophobicContact CD2-CB 4.21Å; W65-F81 AromaticContact CD2-CD1 3.91Å; W65-F81 HydrophobicContact CD2-CD1 3.91Å; W65-F81 AromaticContact CD2-CD2 3.85Å; W65-F81 HydrophobicContact CD2-CD2 3.85Å; W65-F81 HydrophobicContact CD2-CE1 4.25Å; W65-F81 HydrophobicContact CD2-CE2 4.21Å; W65-F81 AromaticContact CD2-CG 3.7Å; W65-F81 HydrophobicContact CD2-CG 3.7Å; W65-F81 HydrophobicContact CD2-CZ 4.4Å; W65-F81 AromaticContact CE2-CD1 3.8Å; 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 4.2Å; W65-F81 AromaticContact CG-CD2 3.79Å; W65-F81 HydrophobicContact CG-CD2 3.79Å; W65-F81 HydrophobicContact CG-CE1 4.07Å; W65-F81 AromaticContact CG-CE2 3.68Å; W65-F81 HydrophobicContact CG-CE2 3.68Å; W65-F81 HydrophobicContact CG-CG 4.06Å; W65-F81 AromaticContact CG-CZ 3.83Å; W65-F81 HydrophobicContact CG-CZ 3.83Å; W65-F81 HydrophobicContact CH2-CB 4.3Å; W65-F81 HydrophobicContact CZ2-CD1 4.23Å; W65-F81 HydrophobicContact CZ3-CB 3.86Å; W65-F81 HydrophobicContact CZ3-CG 4.27Å; W65-F81 AromaticContact NE1-CD1 3.93Å; W65-F81 AromaticContact NE1-CE1 3.76Å; W65-W270 HydrophobicContact CB-CH2 4.45Å; W65-W270 AromaticContact CE3-CH2 3.79Å; W65-W270 HydrophobicContact CE3-CH2 3.79Å; W65-W270 HydrophobicContact CE3-CZ2 4.1Å; W65-W270 HydrophobicContact CZ3-CZ2 4.44Å |
| 66 | A | 85.9 | Confident | 82.5 | Confident | 67 Ų | 67 | 74 Ų | 74 | 55% | 0.554 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -66.6 | -35.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | T62 G63 V64 | T62-A66 WeakPolarHBondContact O-CB 3.28Å; T62-A66 PolarHBondContact O-N 3.47Å; G63-A66 PolarHBondContact O-N 3.16Å; V64-A66 VanDerWaalsContact C-N 3.34Å; V64-A66 PolarHBondContact O-N 3.45Å |
| 67 | R | 85.9 | Confident | 81.9 | Confident | 212 Ų | 212 | 71.7 Ų | 71.7 | 80% | 0.8 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -78.3 | -19.8 | -178.5 | -72.9 | 179.4 | -179.5 | 177.3 | 1.2 | 114.2 | G63 V64 W65 P69 | G63-R67 WeakPolarHBondContact O-CG 3.22Å; G63-R67 PolarHBondContact O-N 3.05Å; V64-R67 PolarHBondContact O-N 3.03Å; W65-R67 PolarHBondContact O-N 3.37Å; R67-P69 WeakPolarHBondContact O-CD 3.48Å |
| 68 | N | 82.3 | Confident | 81.6 | Confident | 55 Ų | 55 | 73 Ų | 73 | 29% | 0.294 | 41% | 0.406 | S | S | . | . | trans | -122.9 | 83.9 | -171.5 | -66.8 | -73.5 | 0 | 0 | 0 | 110.9 | V64 Q70 Y71 | V64-N68 PolarHBondContact O-N 2.85Å; V64-N68 PolarHBondContact O-ND2 3.47Å; N68-Q70 PolarHBondContact O-N 2.88Å; N68-Q70 VanDerWaalsContact O-N 3.14Å; N68-Y71 HydrophobicContact CB-CD2 3.39Å; N68-Y71 HydrophobicContact CB-CE1 4.26Å; N68-Y71 HydrophobicContact CB-CE2 3.05Å; N68-Y71 HydrophobicContact CB-CG 4.16Å; N68-Y71 WeakPolarHBondContact O-CD2 3.41Å; N68-Y71 PolarHBondContact O-N 3.32Å | ||
| 69 | P | 79.6 | Confident | 81.4 | Confident | 83 Ų | 83 | 74.4 Ų | 74.4 | 54% | 0.539 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -64.8 | -18.8 | -176.8 | 24.2 | -32.7 | 0 | 0 | 0 | 113.7 | R67 Y71 R72 | R67-P69 WeakPolarHBondContact O-CD 3.48Å; P69-Y71 PolarHBondContact O-N 3.49Å; P69-R72 WeakPolarHBondContact O-CB 3.5Å; P69-R72 PolarHBondContact O-N 3.35Å |
| 70 | Q | 77.3 | Confident | 81 | Confident | 152 Ų | 152 | 73.7 Ų | 73.7 | 71% | 0.71 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -57.6 | -30.4 | 176.5 | -67.1 | 177.4 | -16 | 0 | 0 | 112.6 | N68 R72 A73 | N68-Q70 PolarHBondContact O-N 2.88Å; N68-Q70 VanDerWaalsContact O-N 3.14Å; Q70-R72 PolarHBondContact O-N 3.19Å; Q70-R72 VanDerWaalsContact O-N 3.13Å; Q70-A73 WeakPolarHBondContact O-CB 3.32Å; Q70-A73 PolarHBondContact O-N 3.04Å |
| 71 | Y | 71.4 | Confident | 80.8 | Confident | 41 Ų | 41 | 71.7 Ų | 71.7 | 16% | 0.161 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -66.5 | -14.5 | 177.6 | -53.8 | -31.7 | 0 | 0 | 0 | 113.5 | V64 W65 N68 P69 A73 T77 R275 | V64-Y71 HydrophobicContact CG1-CE2 4.09Å; W65-Y71 HydrophobicContact CE3-CD2 4.37Å; W65-Y71 WeakPolarHBondContact CH2-O 3.5Å; N68-Y71 HydrophobicContact CB-CD2 3.39Å; N68-Y71 HydrophobicContact CB-CE1 4.26Å; N68-Y71 HydrophobicContact CB-CE2 3.05Å; N68-Y71 HydrophobicContact CB-CG 4.16Å; N68-Y71 WeakPolarHBondContact O-CD2 3.41Å; N68-Y71 PolarHBondContact O-N 3.32Å; P69-Y71 PolarHBondContact O-N 3.49Å; Y71-A73 VanDerWaalsContact C-N 3.3Å; Y71-T77 PolarHBondContact O-OG1 3.2Å; Y71-R275 VanDerWaalsContact CD1-NH2 3.29Å; Y71-R275 VanDerWaalsContact CE1-CZ 3.44Å; Y71-R275 VanDerWaalsContact CE1-NH2 3.3Å; Y71-R275 VanDerWaalsContact CZ-CZ 3.43Å |
| 72 | R | 74.4 | Confident | 80.8 | Confident | 164 Ų | 164 | 76.8 Ų | 76.8 | 62% | 0.619 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -75.9 | -21.2 | 173.9 | -60.3 | -177.4 | -173.4 | 170.5 | 2.8 | 112.8 | W65 P69 Q70 | W65-R72 HydrophobicContact CH2-CG 4.45Å; W65-R72 HydrophobicContact CZ2-CG 3.88Å; P69-R72 WeakPolarHBondContact O-CB 3.5Å; P69-R72 PolarHBondContact O-N 3.35Å; Q70-R72 PolarHBondContact O-N 3.19Å; Q70-R72 VanDerWaalsContact O-N 3.13Å |
| 73 | A | 70.8 | Confident | 80.7 | Confident | 92 Ų | 92 | 74.3 Ų | 74.3 | 76% | 0.76 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -29.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q70 Y71 G75 | Q70-A73 WeakPolarHBondContact O-CB 3.32Å; Q70-A73 PolarHBondContact O-N 3.04Å; Y71-A73 VanDerWaalsContact C-N 3.3Å; A73-G75 PolarHBondContact O-N 3.36Å |
| 74 | E | 77.2 | Confident | 80.7 | Confident | 107 Ų | 107 | 73.1 Ų | 73.1 | 50% | 0.5 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -85.1 | 98.2 | 175.4 | -73.1 | 170.1 | -178.2 | 0 | 0 | 110 | E76 T77 C78 | E74-E76 PolarHBondContact O-N 3.45Å; E74-E76 VanDerWaalsContact O-N 3.11Å; E74-T77 HydrophobicContact CB-CG2 4.05Å; E74-T77 PolarHBondContact O-N 3.48Å; E74-T77 VanDerWaalsContact O-N 3.14Å; E74-T77 PolarHBondContact O-OG1 3.34Å; E74-C78 PolarHBondContact O-N 2.92Å |
| 75 | G | 74.6 | Confident | 80.8 | Confident | 52 Ų | 52 | 75.1 Ų | 75.1 | 54% | 0.536 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -53.7 | -32.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | A73 C78 V79 | A73-G75 PolarHBondContact O-N 3.36Å; G75-C78 WeakPolarHBondContact O-CB 3.24Å; G75-C78 PolarHBondContact O-N 3.46Å; G75-V79 WeakPolarHBondContact O-CG2 3.28Å; G75-V79 PolarHBondContact O-N 3.06Å |
| 76 | E | 78.6 | Confident | 81 | Confident | 155 Ų | 155 | 76.1 Ų | 76.1 | 72% | 0.724 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -64.5 | -47.9 | 178 | -170.6 | 171 | -166.9 | 0 | 0 | 112.1 | E74 C78 V79 E80 | E74-E76 PolarHBondContact O-N 3.45Å; E74-E76 VanDerWaalsContact O-N 3.11Å; E76-C78 PolarHBondContact O-N 3.33Å; E76-V79 WeakPolarHBondContact O-CB 3.31Å; E76-V79 PolarHBondContact O-N 3.02Å; E76-E80 PolarHBondContact O-N 2.92Å; E76-E80 VanDerWaalsContact O-N 3.11Å |
| 77 | T | 77.8 | Confident | 81.2 | Confident | 14 Ų | 14 | 73.8 Ų | 73.8 | 9% | 0.086 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65 | -28.2 | 178.9 | 69.6 | 0 | 0 | 0 | 0 | 112.8 | Y71 E74 F81 | Y71-T77 PolarHBondContact O-OG1 3.2Å; E74-T77 HydrophobicContact CB-CG2 4.05Å; E74-T77 PolarHBondContact O-N 3.48Å; E74-T77 VanDerWaalsContact O-N 3.14Å; E74-T77 PolarHBondContact O-OG1 3.34Å; T77-F81 WeakPolarHBondContact O-CB 3.09Å; T77-F81 PolarHBondContact O-N 3.15Å |
| 78 | C | 81.4 | Confident | 81.4 | Confident | 32 Ų | 32 | 64.7 Ų | 64.7 | 22% | 0.216 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68.8 | -36.8 | 173.7 | -176.1 | 0 | 0 | 0 | 0 | 112.2 | W65 E74 G75 E76 K82 | W65-C78 HydrophobicContact CH2-CB 3.92Å; E74-C78 PolarHBondContact O-N 2.92Å; G75-C78 WeakPolarHBondContact O-CB 3.24Å; G75-C78 PolarHBondContact O-N 3.46Å; E76-C78 PolarHBondContact O-N 3.33Å; C78-K82 VanDerWaalsContact O-CG 3.3Å; C78-K82 WeakPolarHBondContact O-CG 3.25Å; C78-K82 PolarHBondContact O-N 3.13Å; C78-K82 VanDerWaalsContact O-N 3.08Å |
| 79 | V | 83.6 | Confident | 81.9 | Confident | 39 Ų | 39 | 63.5 Ų | 63.5 | 24% | 0.236 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.4 | -47 | 174.7 | 173.9 | 0 | 0 | 0 | 0 | 109.8 | G75 E76 F81 K82 A83 W132 H136 | G75-V79 WeakPolarHBondContact O-CG2 3.28Å; G75-V79 PolarHBondContact O-N 3.06Å; E76-V79 WeakPolarHBondContact O-CB 3.31Å; E76-V79 PolarHBondContact O-N 3.02Å; V79-F81 VanDerWaalsContact C-N 3.35Å; V79-F81 PolarHBondContact O-N 3.02Å; V79-K82 PolarHBondContact O-N 2.87Å; V79-A83 PolarHBondContact O-N 3.38Å; V79-W132 HydrophobicContact CG1-CH2 3.96Å; V79-W132 HydrophobicContact CG1-CZ2 3.89Å; V79-W132 WeakPolarHBondContact O-CH2 3.5Å; V79-H136 HydrophobicContact CG1-CB 3.86Å |
| 80 | E | 81.4 | Confident | 82.5 | Confident | 59 Ų | 59 | 59.6 Ų | 59.6 | 28% | 0.276 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.6 | -41 | 177.9 | -63 | -175 | 143.3 | 0 | 0 | 112.9 | E76 K82 A83 M84 H269 W270 | E76-E80 PolarHBondContact O-N 2.92Å; E76-E80 VanDerWaalsContact O-N 3.11Å; E80-K82 PolarHBondContact O-N 3.37Å; E80-A83 WeakPolarHBondContact O-CB 3.18Å; E80-A83 PolarHBondContact O-N 3.13Å; E80-M84 PolarHBondContact O-N 2.88Å; E80-H269 IonicContact OE1-CD2 3.69Å; E80-W270 PolarHBondContact OE2-NE1 3.5Å |
| 81 | F | 84.1 | Confident | 83.2 | Confident | 21 Ų | 21 | 53.3 Ų | 53.3 | 9% | 0.092 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 175.7 | -179.5 | -104.4 | 0 | 0 | 0 | 111.8 | T62 W65 T77 V79 A83 M84 L85 W270 | T62-F81 HydrophobicContact CG2-CZ 4.38Å; W65-F81 HydrophobicContact CB-CD2 3.9Å; W65-F81 HydrophobicContact CB-CE2 3.63Å; W65-F81 HydrophobicContact CB-CZ 4.16Å; W65-F81 AromaticContact CD1-CE1 3.76Å; W65-F81 AromaticContact CD1-CZ 3.69Å; W65-F81 HydrophobicContact CD2-CB 4.21Å; W65-F81 AromaticContact CD2-CD1 3.91Å; W65-F81 HydrophobicContact CD2-CD1 3.91Å; W65-F81 AromaticContact CD2-CD2 3.85Å; W65-F81 HydrophobicContact CD2-CD2 3.85Å; W65-F81 HydrophobicContact CD2-CE1 4.25Å; W65-F81 HydrophobicContact CD2-CE2 4.21Å; W65-F81 AromaticContact CD2-CG 3.7Å; W65-F81 HydrophobicContact CD2-CG 3.7Å; W65-F81 HydrophobicContact CD2-CZ 4.4Å; W65-F81 AromaticContact CE2-CD1 3.8Å; 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 4.2Å; W65-F81 AromaticContact CG-CD2 3.79Å; W65-F81 HydrophobicContact CG-CD2 3.79Å; W65-F81 HydrophobicContact CG-CE1 4.07Å; W65-F81 AromaticContact CG-CE2 3.68Å; W65-F81 HydrophobicContact CG-CE2 3.68Å; W65-F81 HydrophobicContact CG-CG 4.06Å; W65-F81 AromaticContact CG-CZ 3.83Å; W65-F81 HydrophobicContact CG-CZ 3.83Å; W65-F81 HydrophobicContact CH2-CB 4.3Å; W65-F81 HydrophobicContact CZ2-CD1 4.23Å; W65-F81 HydrophobicContact CZ3-CB 3.86Å; W65-F81 HydrophobicContact CZ3-CG 4.27Å; W65-F81 AromaticContact NE1-CD1 3.93Å; W65-F81 AromaticContact NE1-CE1 3.76Å; T77-F81 WeakPolarHBondContact O-CB 3.09Å; T77-F81 PolarHBondContact O-N 3.15Å; V79-F81 VanDerWaalsContact C-N 3.35Å; V79-F81 PolarHBondContact O-N 3.02Å; F81-A83 VanDerWaalsContact C-N 3.32Å; F81-A83 PolarHBondContact O-N 3.17Å; F81-M84 HydrophobicContact CD2-CE 3.58Å; F81-M84 HydrophobicContact CE2-CE 3.42Å; F81-M84 VanDerWaalsContact CE2-CE 3.42Å; F81-M84 HydrophobicContact CZ-CE 4.44Å; F81-M84 WeakPolarHBondContact O-CB 3.47Å; F81-M84 PolarHBondContact O-N 3Å; F81-L85 HydrophobicContact CD1-CD1 4.14Å; F81-L85 HydrophobicContact CE1-CD1 3.59Å; F81-L85 HydrophobicContact CE1-CG 4.1Å; F81-L85 HydrophobicContact CZ-CD1 4.06Å; F81-L85 HydrophobicContact CZ-CD2 4.2Å; F81-L85 HydrophobicContact CZ-CG 4.19Å; F81-L85 PolarHBondContact O-N 3.45Å; F81-W270 HydrophobicContact CD2-CZ3 4.42Å |
| 82 | K | 86.6 | Confident | 84.4 | Confident | 106 Ų | 106 | 55.3 Ų | 55.3 | 46% | 0.461 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.4 | -40.5 | 173.6 | -74.3 | 171.6 | -178.7 | 174.2 | 0 | 111.8 | C78 V79 E80 M84 L85 I86 W132 | C78-K82 VanDerWaalsContact O-CG 3.3Å; C78-K82 WeakPolarHBondContact O-CG 3.25Å; C78-K82 PolarHBondContact O-N 3.13Å; C78-K82 VanDerWaalsContact O-N 3.08Å; V79-K82 PolarHBondContact O-N 2.87Å; E80-K82 PolarHBondContact O-N 3.37Å; K82-M84 VanDerWaalsContact C-N 3.33Å; K82-M84 PolarHBondContact O-N 3.27Å; K82-L85 PolarHBondContact O-N 3.19Å; K82-I86 WeakPolarHBondContact O-CG1 3.29Å; K82-I86 PolarHBondContact O-N 3.44Å; K82-W132 HydrophobicContact CB-CH2 3.99Å; K82-W132 HydrophobicContact CB-CZ2 3.88Å; K82-W132 HydrophobicContact CD-CZ2 4.46Å |
| 83 | A | 84.4 | Confident | 85.3 | Confident | 6 Ų | 6 | 49.5 Ų | 49.5 | 5% | 0.05 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.4 | -42 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | V79 E80 F81 I86 A87 W132 | V79-A83 PolarHBondContact O-N 3.38Å; E80-A83 WeakPolarHBondContact O-CB 3.18Å; E80-A83 PolarHBondContact O-N 3.13Å; F81-A83 VanDerWaalsContact C-N 3.32Å; F81-A83 PolarHBondContact O-N 3.17Å; A83-I86 PolarHBondContact O-N 3.44Å; A83-A87 WeakPolarHBondContact O-CB 3.44Å; A83-A87 PolarHBondContact O-N 2.96Å; A83-W132 HydrophobicContact CB-CH2 3.77Å; A83-W132 HydrophobicContact CB-CZ3 3.78Å |
| 84 | M | 86.6 | Confident | 86.5 | Confident | 9 Ų | 9 | 46 Ų | 46 | 4% | 0.044 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.9 | -45.1 | 173.9 | -175.9 | -171.4 | 72 | 0 | 0 | 111.4 | A58 E80 F81 K82 A87 V88 W270 | A58-M84 HydrophobicContact CB-SD 4.48Å; E80-M84 PolarHBondContact O-N 2.88Å; F81-M84 HydrophobicContact CD2-CE 3.58Å; F81-M84 HydrophobicContact CE2-CE 3.42Å; F81-M84 VanDerWaalsContact CE2-CE 3.42Å; F81-M84 HydrophobicContact CZ-CE 4.44Å; F81-M84 WeakPolarHBondContact O-CB 3.47Å; F81-M84 PolarHBondContact O-N 3Å; K82-M84 VanDerWaalsContact C-N 3.33Å; K82-M84 PolarHBondContact O-N 3.27Å; M84-A87 PolarHBondContact O-N 3.44Å; M84-V88 WeakPolarHBondContact O-CG2 3.29Å; M84-V88 PolarHBondContact O-N 3.23Å; M84-W270 HydrophobicContact SD-CB 4.01Å; M84-W270 HydrophobicContact SD-CE3 4.29Å |
| 85 | L | 88.8 | Confident | 87.3 | Confident | 83 Ų | 83 | 42.8 Ų | 42.8 | 44% | 0.435 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.3 | -43.2 | 177.3 | -68.8 | -180 | 0 | 0 | 0 | 112.6 | F81 K82 V88 G89 | F81-L85 HydrophobicContact CD1-CD1 4.14Å; F81-L85 HydrophobicContact CE1-CD1 3.59Å; F81-L85 HydrophobicContact CE1-CG 4.1Å; F81-L85 HydrophobicContact CZ-CD1 4.06Å; F81-L85 HydrophobicContact CZ-CD2 4.2Å; F81-L85 HydrophobicContact CZ-CG 4.19Å; F81-L85 PolarHBondContact O-N 3.45Å; K82-L85 PolarHBondContact O-N 3.19Å; L85-V88 PolarHBondContact O-N 3Å; L85-G89 PolarHBondContact O-N 3.32Å |
| 86 | I | 89.1 | Confident | 88.3 | Confident | 49 Ų | 49 | 44.6 Ų | 44.6 | 25% | 0.251 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.6 | -46.7 | 176.5 | -68.2 | 165.8 | 0 | 0 | 0 | 110.3 | K82 A83 V88 G89 I90 A129 W132 | K82-I86 WeakPolarHBondContact O-CG1 3.29Å; K82-I86 PolarHBondContact O-N 3.44Å; A83-I86 PolarHBondContact O-N 3.44Å; I86-V88 VanDerWaalsContact C-N 3.34Å; I86-V88 PolarHBondContact O-N 3.48Å; I86-G89 PolarHBondContact O-N 2.86Å; I86-I90 HydrophobicContact CG2-CD1 4.16Å; I86-I90 WeakPolarHBondContact O-CG1 3.31Å; I86-I90 PolarHBondContact O-N 3.13Å; I86-A129 HydrophobicContact CG2-CB 3.6Å; I86-W132 HydrophobicContact CD1-CD2 4.06Å; I86-W132 HydrophobicContact CD1-CE3 3.59Å; I86-W132 HydrophobicContact CD1-CH2 4.26Å; I86-W132 HydrophobicContact CD1-CZ3 3.71Å |
| 87 | A | 88.4 | Confident | 89.2 | Confident | 18 Ų | 18 | 39 Ų | 39 | 15% | 0.149 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.9 | -45.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | A83 M84 G89 I90 H91 | A83-A87 WeakPolarHBondContact O-CB 3.44Å; A83-A87 PolarHBondContact O-N 2.96Å; M84-A87 PolarHBondContact O-N 3.44Å; A87-G89 VanDerWaalsContact C-N 3.35Å; A87-G89 PolarHBondContact O-N 2.98Å; A87-I90 PolarHBondContact O-N 3.27Å; A87-H91 PolarHBondContact O-CD2 3.47Å; A87-H91 PolarHBondContact O-N 2.89Å |
| 88 | V | 91.3 | Very high | 90 | Very high | 22 Ų | 22 | 39.3 Ų | 39.3 | 13% | 0.133 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.5 | -42.2 | 177.9 | 173.6 | 0 | 0 | 0 | 0 | 111.5 | V54 A58 M84 L85 I86 I90 H91 L92 | V54-V88 HydrophobicContact CG1-CG2 4.2Å; A58-V88 HydrophobicContact CB-CB 4.32Å; A58-V88 HydrophobicContact CB-CG1 4.29Å; A58-V88 HydrophobicContact CB-CG2 3.18Å; M84-V88 WeakPolarHBondContact O-CG2 3.29Å; M84-V88 PolarHBondContact O-N 3.23Å; L85-V88 PolarHBondContact O-N 3Å; I86-V88 VanDerWaalsContact C-N 3.34Å; I86-V88 PolarHBondContact O-N 3.48Å; V88-I90 VanDerWaalsContact C-N 3.32Å; V88-I90 PolarHBondContact O-N 3.18Å; V88-H91 PolarHBondContact O-N 3.03Å; V88-H91 VanDerWaalsContact O-N 3.16Å; V88-L92 HydrophobicContact CG1-CD1 4.08Å; V88-L92 HydrophobicContact CG1-CG 4.27Å; V88-L92 VanDerWaalsContact O-CG 3.32Å; V88-L92 WeakPolarHBondContact O-CG 3.03Å; V88-L92 PolarHBondContact O-N 3.13Å |
| 89 | G | 92.4 | Very high | 90.6 | Very high | 30 Ų | 30 | 40.5 Ų | 40.5 | 31% | 0.309 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -57.1 | -45.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L85 I86 A87 L92 L93 | L85-G89 PolarHBondContact O-N 3.32Å; I86-G89 PolarHBondContact O-N 2.86Å; A87-G89 VanDerWaalsContact C-N 3.35Å; A87-G89 PolarHBondContact O-N 2.98Å; G89-L92 PolarHBondContact O-N 2.76Å; G89-L93 PolarHBondContact O-N 3.02Å; G89-L93 VanDerWaalsContact O-N 3.12Å |
| 90 | I | 92.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.6 | -44.7 | 174.8 | -67.7 | 170.8 | 0 | 0 | 0 | 110.7 | I86 A87 V88 L92 L93 L94 V122 V125 L142 E143 | I86-I90 HydrophobicContact CG2-CD1 4.16Å; I86-I90 WeakPolarHBondContact O-CG1 3.31Å; I86-I90 PolarHBondContact O-N 3.13Å; A87-I90 PolarHBondContact O-N 3.27Å; V88-I90 VanDerWaalsContact C-N 3.32Å; V88-I90 PolarHBondContact O-N 3.18Å; I90-L92 VanDerWaalsContact C-N 3.33Å; I90-L92 PolarHBondContact O-N 3.29Å; I90-L93 PolarHBondContact O-N 2.92Å; I90-L94 HydrophobicContact CG2-CD1 3.91Å; I90-L94 HydrophobicContact CG2-CG 4.36Å; I90-L94 VanDerWaalsContact O-CG 3.31Å; I90-L94 WeakPolarHBondContact O-CG 3.43Å; I90-L94 PolarHBondContact O-N 3.32Å; I90-V122 HydrophobicContact CG2-CG1 4.04Å; I90-V125 HydrophobicContact CG1-CG1 4.29Å; I90-L142 HydrophobicContact CG2-CD2 4.09Å; I90-E143 HydrophobicContact CD1-CG 3.61Å |
| 91 | H | 93.2 | Very high | 91.8 | Very high | 20 Ų | 20 | 38.8 Ų | 38.8 | 9% | 0.093 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.5 | -35 | 178 | -81.7 | -74.1 | 0 | 0 | 0 | 113.6 | W50 K51 V54 A87 V88 L94 L95 | W50-H91 AromaticContact CE2-CE1 3.78Å; W50-H91 AromaticContact CZ2-CE1 3.47Å; W50-H91 VanDerWaalsContact CZ2-CE1 3.47Å; W50-H91 WeakPolarHBondContact CZ2-CE1 3.49Å; W50-H91 AromaticContact NE1-CE1 3.97Å; K51-H91 HydrophobicContact CD-CB 4.47Å; V54-H91 HydrophobicContact CG1-CB 4.05Å; A87-H91 PolarHBondContact O-CD2 3.47Å; A87-H91 PolarHBondContact O-N 2.89Å; V88-H91 PolarHBondContact O-N 3.03Å; V88-H91 VanDerWaalsContact O-N 3.16Å; H91-L94 PolarHBondContact O-N 2.83Å; H91-L95 VanDerWaalsContact O-CB 3.31Å; H91-L95 WeakPolarHBondContact O-CB 3.47Å; H91-L95 PolarHBondContact O-N 3.44Å |
| 92 | L | 94.9 | Very high | 92.3 | Very high | 83 Ų | 83 | 37.8 Ų | 37.8 | 44% | 0.435 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -68.1 | -41 | 175.3 | -72.2 | 173.4 | 0 | 0 | 0 | 111.8 | I55 V88 G89 I90 L95 M96 | I55-L92 HydrophobicContact CD1-CD2 3.84Å; I55-L92 HydrophobicContact CG1-CD2 4.12Å; V88-L92 HydrophobicContact CG1-CD1 4.08Å; V88-L92 HydrophobicContact CG1-CG 4.27Å; V88-L92 VanDerWaalsContact O-CG 3.32Å; V88-L92 WeakPolarHBondContact O-CG 3.03Å; V88-L92 PolarHBondContact O-N 3.13Å; G89-L92 PolarHBondContact O-N 2.76Å; I90-L92 VanDerWaalsContact C-N 3.33Å; I90-L92 PolarHBondContact O-N 3.29Å; L92-L95 PolarHBondContact O-N 2.86Å; L92-M96 PolarHBondContact O-N 3.29Å |
| 93 | L | 94.9 | Very high | 92.6 | Very high | 42 Ų | 42 | 34.2 Ų | 34.2 | 22% | 0.22 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.5 | -39.1 | 174.2 | -70.8 | 170.9 | 0 | 0 | 0 | 111.9 | G89 I90 M96 F97 P118 V122 | G89-L93 PolarHBondContact O-N 3.02Å; G89-L93 VanDerWaalsContact O-N 3.12Å; I90-L93 PolarHBondContact O-N 2.92Å; L93-M96 HydrophobicContact CD2-CE 3.8Å; L93-M96 WeakPolarHBondContact O-CB 3.4Å; L93-M96 PolarHBondContact O-N 3.25Å; L93-F97 PolarHBondContact O-N 2.86Å; L93-P118 WeakPolarHBondContact O-CB 3.18Å; L93-V122 HydrophobicContact CB-CG2 3.29Å; L93-V122 HydrophobicContact CD1-CG2 3.71Å; L93-V122 HydrophobicContact CG-CG2 4.13Å |
| 94 | L | 94.6 | Very high | 93.1 | Very high | 17 Ų | 17 | 36.4 Ų | 36.4 | 9% | 0.089 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.2 | -40.8 | 172.8 | -70.4 | 171.3 | 0 | 0 | 0 | 111.7 | I90 H91 M96 F97 E98 L119 L142 | I90-L94 HydrophobicContact CG2-CD1 3.91Å; I90-L94 HydrophobicContact CG2-CG 4.36Å; I90-L94 VanDerWaalsContact O-CG 3.31Å; I90-L94 WeakPolarHBondContact O-CG 3.43Å; I90-L94 PolarHBondContact O-N 3.32Å; H91-L94 PolarHBondContact O-N 2.83Å; L94-M96 VanDerWaalsContact C-N 3.33Å; L94-M96 PolarHBondContact O-N 3.49Å; L94-F97 WeakPolarHBondContact O-CB 3.24Å; L94-F97 PolarHBondContact O-N 3.5Å; L94-E98 VanDerWaalsContact O-CG 3.24Å; L94-E98 WeakPolarHBondContact O-CG 3.31Å; L94-E98 PolarHBondContact O-N 3.02Å; L94-L119 HydrophobicContact CD2-CD2 3.57Å; L94-L142 HydrophobicContact CD1-CD1 4.47Å; L94-L142 HydrophobicContact CD1-CD2 4Å |
| 95 | L | 95.4 | Very high | 93.3 | Very high | 41 Ų | 41 | 39 Ų | 39 | 22% | 0.215 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.3 | -42.7 | 174.4 | 179.1 | 69.9 | 0 | 0 | 0 | 111 | W48 K51 I55 H91 L92 F97 E98 V99 | W48-L95 HydrophobicContact CE3-CD1 3.56Å; W48-L95 HydrophobicContact CZ3-CD1 3.6Å; K51-L95 HydrophobicContact CB-CD1 3.98Å; K51-L95 HydrophobicContact CG-CB 4.31Å; K51-L95 HydrophobicContact CG-CD1 3.92Å; I55-L95 HydrophobicContact CD1-CD2 4.07Å; H91-L95 VanDerWaalsContact O-CB 3.31Å; H91-L95 WeakPolarHBondContact O-CB 3.47Å; H91-L95 PolarHBondContact O-N 3.44Å; L92-L95 PolarHBondContact O-N 2.86Å; L95-F97 VanDerWaalsContact C-N 3.34Å; L95-F97 PolarHBondContact O-N 2.9Å; L95-E98 PolarHBondContact O-N 3.42Å; L95-V99 WeakPolarHBondContact O-CG2 3.28Å; L95-V99 PolarHBondContact O-N 3.02Å |
| 96 | M | 95.7 | Very high | 93.4 | Very high | 89 Ų | 89 | 39.1 Ų | 39.1 | 44% | 0.438 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.6 | -44.5 | 174.5 | -178.6 | 169 | 68.3 | 0 | 0 | 111.5 | L92 L93 L94 V99 L100 P118 | L92-M96 PolarHBondContact O-N 3.29Å; L93-M96 HydrophobicContact CD2-CE 3.8Å; L93-M96 WeakPolarHBondContact O-CB 3.4Å; L93-M96 PolarHBondContact O-N 3.25Å; L94-M96 VanDerWaalsContact C-N 3.33Å; L94-M96 PolarHBondContact O-N 3.49Å; M96-V99 PolarHBondContact O-N 3.36Å; M96-L100 HydrophobicContact CG-CD1 4.21Å; M96-L100 VanDerWaalsContact O-CG 3.29Å; M96-L100 WeakPolarHBondContact O-CG 3.38Å; M96-L100 PolarHBondContact O-N 3.38Å; M96-P118 HydrophobicContact CB-CB 4.4Å; M96-P118 HydrophobicContact CB-CG 4.3Å; M96-P118 HydrophobicContact CE-CB 3.53Å; M96-P118 HydrophobicContact CE-CG 3.56Å; M96-P118 HydrophobicContact CG-CB 4.39Å; M96-P118 HydrophobicContact CG-CG 3.85Å; M96-P118 HydrophobicContact SD-CG 4.37Å |
| 97 | F | 95.9 | Very high | 93.4 | Very high | 38 Ų | 38 | 45.8 Ų | 45.8 | 17% | 0.167 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.3 | -50.1 | 173.4 | 167.6 | -105.4 | 0 | 0 | 0 | 112 | L93 L94 L95 V99 L100 V101 V115 F116 P118 L119 | L93-F97 PolarHBondContact O-N 2.86Å; L94-F97 WeakPolarHBondContact O-CB 3.24Å; L94-F97 PolarHBondContact O-N 3.5Å; L95-F97 VanDerWaalsContact C-N 3.34Å; L95-F97 PolarHBondContact O-N 2.9Å; F97-V99 VanDerWaalsContact C-N 3.31Å; F97-V99 PolarHBondContact O-N 2.99Å; F97-L100 PolarHBondContact O-N 3.39Å; F97-V101 HydrophobicContact CD1-CG2 4.31Å; F97-V101 HydrophobicContact CD2-CG2 3.91Å; F97-V101 HydrophobicContact CE1-CG2 3.89Å; F97-V101 HydrophobicContact CE2-CG2 3.43Å; F97-V101 VanDerWaalsContact CE2-CG2 3.43Å; F97-V101 HydrophobicContact CG-CG2 4.33Å; F97-V101 HydrophobicContact CZ-CG2 3.43Å; F97-V101 VanDerWaalsContact CZ-CG2 3.43Å; F97-V101 WeakPolarHBondContact O-CG2 3.36Å; F97-V101 PolarHBondContact O-N 2.98Å; F97-V115 WeakPolarHBondContact CD2-O 3.5Å; F97-V115 HydrophobicContact CE2-CG1 4.42Å; F97-F116 AromaticContact CE2-CD1 3.99Å; F97-F116 HydrophobicContact CE2-CD1 3.99Å; F97-F116 AromaticContact CE2-CD2 3.96Å; F97-F116 HydrophobicContact CE2-CD2 3.96Å; F97-F116 AromaticContact CE2-CE1 3.97Å; F97-F116 HydrophobicContact CE2-CE1 3.97Å; F97-F116 AromaticContact CE2-CE2 3.96Å; F97-F116 HydrophobicContact CE2-CE2 3.96Å; F97-F116 AromaticContact CE2-CG 3.98Å; F97-F116 HydrophobicContact CE2-CG 3.98Å; F97-F116 AromaticContact CE2-CZ 3.95Å; F97-F116 HydrophobicContact CE2-CZ 3.95Å; F97-F116 HydrophobicContact CZ-CE1 4.14Å; F97-F116 HydrophobicContact CZ-CE2 4.38Å; F97-F116 HydrophobicContact CZ-CZ 4.03Å; F97-P118 HydrophobicContact CB-CB 4.01Å; F97-P118 HydrophobicContact CB-CG 4.12Å; F97-L119 HydrophobicContact CB-CD2 4.32Å; F97-L119 HydrophobicContact CB-CG 4.18Å; F97-L119 HydrophobicContact CD1-CD1 4.03Å; F97-L119 HydrophobicContact CD1-CD2 4.18Å; F97-L119 HydrophobicContact CD1-CG 4.15Å; F97-L119 HydrophobicContact CD2-CD1 3.61Å; F97-L119 HydrophobicContact CD2-CD2 4.49Å; F97-L119 HydrophobicContact CD2-CG 3.64Å; F97-L119 HydrophobicContact CE1-CD1 3.85Å; F97-L119 HydrophobicContact CE1-CG 4.47Å; F97-L119 HydrophobicContact CE2-CD1 3.41Å; F97-L119 VanDerWaalsContact CE2-CD1 3.41Å; F97-L119 HydrophobicContact CE2-CG 4.01Å; F97-L119 HydrophobicContact CG-CD1 3.92Å; F97-L119 HydrophobicContact CG-CD2 4.08Å; F97-L119 HydrophobicContact CG-CG 3.72Å; F97-L119 HydrophobicContact CZ-CD1 3.53Å; F97-L119 HydrophobicContact CZ-CG 4.4Å |
| 98 | E | 95.1 | Very high | 93.3 | Very high | 20 Ų | 20 | 47.1 Ų | 47.1 | 9% | 0.093 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.7 | -40.8 | -178.6 | -70.6 | 157.1 | -170.8 | 0 | 0 | 111.9 | F44 I47 W48 K51 L94 L95 V101 C102 | F44-E98 HydrophobicContact CD1-CB 4.44Å; F44-E98 HydrophobicContact CE1-CB 4.42Å; I47-E98 HydrophobicContact CG2-CG 4.27Å; I47-E98 WeakPolarHBondContact CG2-OE1 3.16Å; I47-E98 WeakPolarHBondContact CG2-OE2 3.46Å; W48-E98 HydrophobicContact CH2-CB 3.78Å; W48-E98 HydrophobicContact CZ3-CB 3.57Å; K51-E98 WeakPolarHBondContact CE-OE1 3.32Å; K51-E98 WeakPolarHBondContact CE-OE2 3.47Å; K51-E98 IonicContact NZ-OE1 2.7Å; K51-E98 PolarHBondContact NZ-OE1 3.15Å; K51-E98 IonicContact NZ-OE2 2.74Å; L94-E98 VanDerWaalsContact O-CG 3.24Å; L94-E98 WeakPolarHBondContact O-CG 3.31Å; L94-E98 PolarHBondContact O-N 3.02Å; L95-E98 PolarHBondContact O-N 3.42Å; E98-V101 PolarHBondContact O-N 3.35Å; E98-C102 PolarHBondContact O-N 3.44Å; E98-C102 PolarHBondContact O-SG 3.22Å |
| 99 | V | 94.8 | Very high | 92.4 | Very high | 58 Ų | 58 | 48 Ų | 48 | 35% | 0.352 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64 | -46 | 175.9 | 169.3 | 0 | 0 | 0 | 0 | 111.2 | W41 W48 L95 M96 F97 V101 C102 D103 | W41-V99 HydrophobicContact CH2-CG1 4.19Å; W48-V99 HydrophobicContact CH2-CB 4.5Å; W48-V99 HydrophobicContact CH2-CG2 3.81Å; W48-V99 HydrophobicContact CZ3-CG2 3.84Å; L95-V99 WeakPolarHBondContact O-CG2 3.28Å; L95-V99 PolarHBondContact O-N 3.02Å; M96-V99 PolarHBondContact O-N 3.36Å; F97-V99 VanDerWaalsContact C-N 3.31Å; F97-V99 PolarHBondContact O-N 2.99Å; V99-V101 VanDerWaalsContact C-N 3.32Å; V99-V101 PolarHBondContact O-N 3.27Å; V99-C102 PolarHBondContact O-N 2.96Å; V99-D103 PolarHBondContact O-N 3.44Å |
| 100 | L | 95.1 | Very high | 92.1 | Very high | 46 Ų | 46 | 51.5 Ų | 51.5 | 24% | 0.241 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.5 | -37.1 | 177.6 | -69.3 | 172.7 | 0 | 0 | 0 | 112 | M96 F97 R104 V115 P118 | M96-L100 HydrophobicContact CG-CD1 4.21Å; M96-L100 VanDerWaalsContact O-CG 3.29Å; M96-L100 WeakPolarHBondContact O-CG 3.38Å; M96-L100 PolarHBondContact O-N 3.38Å; F97-L100 PolarHBondContact O-N 3.39Å; L100-R104 WeakPolarHBondContact O-CB 3.45Å; L100-R104 PolarHBondContact O-N 3.46Å; L100-V115 HydrophobicContact CB-CB 4.34Å; L100-V115 HydrophobicContact CB-CG1 3.91Å; L100-V115 HydrophobicContact CB-CG2 4.39Å; L100-P118 HydrophobicContact CD1-CG 3.78Å |
| 101 | V | 95.1 | Very high | 92.1 | Very high | 15 Ų | 15 | 58.7 Ų | 58.7 | 9% | 0.091 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64 | -46.3 | 174.4 | 169.6 | 0 | 0 | 0 | 0 | 110.6 | F44 F97 E98 V99 R104 I105 V115 | F44-V101 HydrophobicContact CZ-CG1 4.01Å; F97-V101 HydrophobicContact CD1-CG2 4.31Å; F97-V101 HydrophobicContact CD2-CG2 3.91Å; F97-V101 HydrophobicContact CE1-CG2 3.89Å; F97-V101 HydrophobicContact CE2-CG2 3.43Å; F97-V101 VanDerWaalsContact CE2-CG2 3.43Å; F97-V101 HydrophobicContact CG-CG2 4.33Å; F97-V101 HydrophobicContact CZ-CG2 3.43Å; F97-V101 VanDerWaalsContact CZ-CG2 3.43Å; F97-V101 WeakPolarHBondContact O-CG2 3.36Å; F97-V101 PolarHBondContact O-N 2.98Å; E98-V101 PolarHBondContact O-N 3.35Å; V99-V101 VanDerWaalsContact C-N 3.32Å; V99-V101 PolarHBondContact O-N 3.27Å; V101-R104 PolarHBondContact O-N 2.88Å; V101-I105 HydrophobicContact CG1-CD1 3.53Å; V101-I105 HydrophobicContact CG1-CG1 4.28Å; V101-I105 WeakPolarHBondContact O-CB 3.43Å; V101-I105 VanDerWaalsContact O-CG1 3.22Å; V101-I105 WeakPolarHBondContact O-CG1 3.45Å; V101-I105 PolarHBondContact O-N 3.32Å; V101-V115 HydrophobicContact CB-CG1 4.3Å; V101-V115 HydrophobicContact CG2-CG1 3.5Å; V101-V115 VanDerWaalsContact CG2-CG1 3.5Å |
| 102 | C | 93.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.1 | -46.9 | 177.9 | -72.7 | 0 | 0 | 0 | 0 | 112.1 | W41 F44 W48 E98 V99 R104 I105 E106 | W41-C102 HydrophobicContact CD2-CB 4.37Å; W41-C102 HydrophobicContact CE3-CB 4.48Å; W41-C102 HydrophobicContact CH2-CB 4.46Å; W41-C102 HydrophobicContact CZ2-CB 4.33Å; F44-C102 WeakPolarHBondContact CD1-SG 3.41Å; F44-C102 WeakPolarHBondContact CD2-SG 3.36Å; F44-C102 WeakPolarHBondContact CG-SG 2.84Å; W48-C102 HydrophobicContact CZ2-CB 4.4Å; W48-C102 VanDerWaalsContact CZ2-SG 3.51Å; E98-C102 PolarHBondContact O-N 3.44Å; E98-C102 PolarHBondContact O-SG 3.22Å; V99-C102 PolarHBondContact O-N 2.96Å; C102-R104 PolarHBondContact O-N 3.12Å; C102-I105 PolarHBondContact O-N 3.4Å; C102-E106 WeakPolarHBondContact O-CB 3.17Å; C102-E106 PolarHBondContact O-N 2.91Å |
| 103 | D | 93.8 | Very high | 92.1 | Very high | 31 Ų | 31 | 59.8 Ų | 59.8 | 17% | 0.166 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.2 | -44 | 178.4 | -169.9 | 65 | 0 | 0 | 0 | 111.3 | V99 I105 E106 R107 S109 | V99-D103 PolarHBondContact O-N 3.44Å; D103-I105 PolarHBondContact O-N 3.43Å; D103-E106 PolarHBondContact O-N 3.18Å; D103-R107 WeakPolarHBondContact O-CB 3.47Å; D103-R107 PolarHBondContact O-N 3.48Å; D103-R107 VanDerWaalsContact OD1-CD 3.29Å; D103-R107 WeakPolarHBondContact OD1-CD 3.4Å; D103-R107 IonicContact OD1-CZ 3.94Å; D103-R107 IonicContact OD1-NE 3.55Å; D103-S109 PolarHBondContact OD2-OG 2.89Å |
| 104 | R | 93.6 | Very high | 92.1 | Very high | 53 Ų | 53 | 61.7 Ų | 61.7 | 20% | 0.2 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 176.7 | 176.3 | 62.5 | -178.9 | 167.6 | 1 | 112.5 | L100 V101 C102 G108 S109 H110 W112 V115 | L100-R104 WeakPolarHBondContact O-CB 3.45Å; L100-R104 PolarHBondContact O-N 3.46Å; V101-R104 PolarHBondContact O-N 2.88Å; C102-R104 PolarHBondContact O-N 3.12Å; R104-G108 PolarHBondContact NH1-O 3.28Å; R104-G108 WeakPolarHBondContact O-CA 3.28Å; R104-G108 PolarHBondContact O-N 3.03Å; R104-S109 WeakPolarHBondContact CD-O 3.44Å; R104-S109 PolarHBondContact NH1-O 2.62Å; R104-H110 WeakPolarHBondContact CD-O 3.5Å; R104-H110 PolarHBondContact NE-O 3.33Å; R104-H110 PolarHBondContact NH1-O 3.12Å; R104-W112 HydrophobicContact CG-CD2 4.16Å; R104-W112 HydrophobicContact CG-CE3 4.15Å; R104-W112 HydrophobicContact CG-CH2 3.88Å; R104-W112 HydrophobicContact CG-CZ2 3.86Å; R104-W112 HydrophobicContact CG-CZ3 4.02Å; R104-V115 HydrophobicContact CB-CG2 3.84Å; R104-V115 HydrophobicContact CG-CG2 4.08Å |
| 105 | I | 92.4 | Very high | 92.1 | Very high | 64 Ų | 64 | 61 Ų | 61 | 33% | 0.328 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.9 | -39.5 | -177.6 | -67.4 | 170.8 | 0 | 0 | 0 | 110.7 | Y40 V101 C102 D103 W112 | Y40-I105 HydrophobicContact CD1-CG2 3.79Å; Y40-I105 HydrophobicContact CD2-CB 4.46Å; Y40-I105 HydrophobicContact CD2-CG2 3.44Å; Y40-I105 VanDerWaalsContact CD2-CG2 3.44Å; Y40-I105 HydrophobicContact CE1-CG2 3.7Å; Y40-I105 HydrophobicContact CE2-CG2 3.33Å; Y40-I105 HydrophobicContact CG-CB 4.44Å; Y40-I105 HydrophobicContact CG-CG2 3.66Å; Y40-I105 VanDerWaalsContact CZ-CG2 3.45Å; V101-I105 HydrophobicContact CG1-CD1 3.53Å; V101-I105 HydrophobicContact CG1-CG1 4.28Å; V101-I105 WeakPolarHBondContact O-CB 3.43Å; V101-I105 VanDerWaalsContact O-CG1 3.22Å; V101-I105 WeakPolarHBondContact O-CG1 3.45Å; V101-I105 PolarHBondContact O-N 3.32Å; C102-I105 PolarHBondContact O-N 3.4Å; D103-I105 PolarHBondContact O-N 3.43Å; I105-W112 HydrophobicContact CG1-CH2 3.97Å |
| 106 | E | 90.2 | Very high | 92.1 | Very high | 84 Ų | 84 | 59.7 Ų | 59.7 | 39% | 0.393 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -78.8 | -41.6 | -176.3 | -166 | 76 | -147.1 | 0 | 0 | 112.5 | Y40 C102 D103 | Y40-E106 WeakPolarHBondContact CD2-OE2 3.43Å; Y40-E106 PolarHBondContact N-OE2 3.06Å; C102-E106 WeakPolarHBondContact O-CB 3.17Å; C102-E106 PolarHBondContact O-N 2.91Å; D103-E106 PolarHBondContact O-N 3.18Å |
| 107 | R | 89.4 | Confident | 92.1 | Very high | 190 Ų | 190 | 60.1 Ų | 60.1 | 72% | 0.717 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -107.7 | -20.3 | -172.3 | -59.5 | -173.3 | -179.6 | -171.9 | -2.2 | 114.1 | D103 S109 | D103-R107 WeakPolarHBondContact O-CB 3.47Å; D103-R107 PolarHBondContact O-N 3.48Å; D103-R107 VanDerWaalsContact OD1-CD 3.29Å; D103-R107 WeakPolarHBondContact OD1-CD 3.4Å; D103-R107 IonicContact OD1-CZ 3.94Å; D103-R107 IonicContact OD1-NE 3.55Å; R107-S109 VanDerWaalsContact C-N 3.28Å; R107-S109 PolarHBondContact O-N 3.37Å |
| 108 | G | 85.2 | Confident | 92.1 | Very high | 46 Ų | 46 | 58.3 Ų | 58.3 | 47% | 0.474 | 29% | 0.289 | S | S | . | . | trans | 67.3 | 23.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R104 | R104-G108 PolarHBondContact NH1-O 3.28Å; R104-G108 WeakPolarHBondContact O-CA 3.28Å; R104-G108 PolarHBondContact O-N 3.03Å | ||
| 109 | S | 73.6 | Confident | 92 | Very high | 39 Ų | 39 | 57.7 Ų | 57.7 | 27% | 0.273 | 29% | 0.286 | S | S | . | . | trans | -88 | 148.6 | 171.4 | 58.2 | 0 | 0 | 0 | 0 | 111.3 | D103 R104 R107 | D103-S109 PolarHBondContact OD2-OG 2.89Å; R104-S109 WeakPolarHBondContact CD-O 3.44Å; R104-S109 PolarHBondContact NH1-O 2.62Å; R107-S109 VanDerWaalsContact C-N 3.28Å; R107-S109 PolarHBondContact O-N 3.37Å | ||
| 110 | H | 86.4 | Confident | 92 | Very high | 104 Ų | 104 | 57.3 Ų | 57.3 | 48% | 0.481 | 28% | 0.28 | S | S | . | . | S | Bend | trans | 73.6 | 145.2 | 174.7 | -42.5 | -66.7 | 0 | 0 | 0 | 119.1 | R104 L114 | R104-H110 WeakPolarHBondContact CD-O 3.5Å; R104-H110 PolarHBondContact NE-O 3.33Å; R104-H110 PolarHBondContact NH1-O 3.12Å; H110-L114 HydrophobicContact CB-CD2 4.23Å |
| 111 | F | 91.8 | Very high | 91.9 | Very high | 153 Ų | 153 | 60.4 Ų | 60.4 | 67% | 0.671 | 29% | 0.291 | S | S | * | . | trans | -65.4 | 146.8 | 174 | -63.9 | -76.4 | 0 | 0 | 0 | 112.2 | L113 L114 V115 | F111-L113 PolarHBondContact O-N 2.97Å; F111-L114 WeakPolarHBondContact O-CB 3.18Å; F111-L114 PolarHBondContact O-N 3.44Å; F111-V115 PolarHBondContact O-N 3.4Å | ||
| 112 | W | 94.8 | Very high | 91.9 | Very high | 45 Ų | 45 | 59.7 Ų | 59.7 | 17% | 0.17 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.3 | -31.6 | 175.9 | -71.6 | 102.3 | 0 | 0 | 0 | 112.1 | R104 I105 L114 V115 F116 L160 D161 | R104-W112 HydrophobicContact CG-CD2 4.16Å; R104-W112 HydrophobicContact CG-CE3 4.15Å; R104-W112 HydrophobicContact CG-CH2 3.88Å; R104-W112 HydrophobicContact CG-CZ2 3.86Å; R104-W112 HydrophobicContact CG-CZ3 4.02Å; I105-W112 HydrophobicContact CG1-CH2 3.97Å; W112-L114 VanDerWaalsContact C-N 3.25Å; W112-L114 PolarHBondContact O-N 3.18Å; W112-V115 HydrophobicContact CE3-CB 4.33Å; W112-V115 HydrophobicContact CE3-CG1 4.18Å; W112-V115 HydrophobicContact CZ3-CG1 4.39Å; W112-V115 WeakPolarHBondContact O-CB 3.29Å; W112-V115 PolarHBondContact O-N 2.73Å; W112-V115 VanDerWaalsContact O-N 3.13Å; W112-F116 HydrophobicContact CE3-CD2 4.33Å; W112-F116 AromaticContact CE3-CE2 3.9Å; W112-F116 HydrophobicContact CE3-CE2 3.9Å; W112-F116 HydrophobicContact CZ3-CE2 4.44Å; W112-F116 WeakPolarHBondContact O-CB 3.47Å; W112-F116 VanDerWaalsContact O-CD2 3.28Å; W112-F116 WeakPolarHBondContact O-CD2 3.24Å; W112-F116 PolarHBondContact O-N 3.21Å; W112-L160 HydrophobicContact CB-CB 3.89Å; W112-L160 VanDerWaalsContact CD1-C 3.44Å; W112-L160 VanDerWaalsContact CD1-CB 3.43Å; W112-L160 HydrophobicContact CD2-CB 3.81Å; W112-L160 HydrophobicContact CD2-CD1 3.72Å; W112-L160 HydrophobicContact CD2-CG 4.34Å; W112-L160 HydrophobicContact CE3-CD1 3.72Å; W112-L160 HydrophobicContact CG-CB 3.44Å; W112-L160 VanDerWaalsContact CG-CB 3.44Å; W112-L160 HydrophobicContact CG-CD1 4.16Å; W112-L160 HydrophobicContact CG-CG 4.43Å; W112-L160 HydrophobicContact CH2-CD1 4.39Å; W112-L160 HydrophobicContact CZ2-CD1 4.4Å; W112-L160 HydrophobicContact CZ3-CD1 4.07Å; W112-D161 WeakPolarHBondContact CB-OD1 3.47Å; W112-D161 VanDerWaalsContact CD1-OD1 3.3Å; W112-D161 VanDerWaalsContact N-CG 3.3Å; W112-D161 PolarHBondContact N-OD1 3.12Å; W112-D161 PolarHBondContact N-OD2 3.32Å; W112-D161 VanDerWaalsContact N-OD2 3.13Å |
| 113 | L | 93.5 | Very high | 91.8 | Very high | 81 Ų | 81 | 59.7 Ų | 59.7 | 42% | 0.424 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.2 | -35.7 | 173.5 | -165.2 | 140.9 | 0 | 0 | 0 | 112.9 | F111 M117 F120 L158 D161 | F111-L113 PolarHBondContact O-N 2.97Å; L113-M117 PolarHBondContact O-N 3.23Å; L113-F120 HydrophobicContact CG-CE2 4.25Å; L113-L158 HydrophobicContact CD1-CD2 3.87Å; L113-D161 WeakPolarHBondContact CB-OD2 3.35Å; L113-D161 PolarHBondContact N-OD2 3.14Å |
| 114 | L | 93.6 | Very high | 91.8 | Very high | 82 Ų | 82 | 61.6 Ų | 61.6 | 43% | 0.429 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -73.1 | -41.7 | 173.7 | -175.3 | 149.3 | 0 | 0 | 0 | 111.1 | H110 F111 W112 F116 M117 | H110-L114 HydrophobicContact CB-CD2 4.23Å; F111-L114 WeakPolarHBondContact O-CB 3.18Å; F111-L114 PolarHBondContact O-N 3.44Å; W112-L114 VanDerWaalsContact C-N 3.25Å; W112-L114 PolarHBondContact O-N 3.18Å; L114-F116 PolarHBondContact O-N 3.28Å; L114-M117 WeakPolarHBondContact O-CB 3.49Å; L114-M117 PolarHBondContact O-N 2.93Å; L114-M117 VanDerWaalsContact O-N 3.11Å |
| 115 | V | 95.2 | Very high | 91.7 | Very high | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.9 | -38.7 | 176.6 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | F97 L100 V101 R104 F111 W112 P118 | F97-V115 WeakPolarHBondContact CD2-O 3.5Å; F97-V115 HydrophobicContact CE2-CG1 4.42Å; L100-V115 HydrophobicContact CB-CB 4.34Å; L100-V115 HydrophobicContact CB-CG1 3.91Å; L100-V115 HydrophobicContact CB-CG2 4.39Å; V101-V115 HydrophobicContact CB-CG1 4.3Å; V101-V115 HydrophobicContact CG2-CG1 3.5Å; V101-V115 VanDerWaalsContact CG2-CG1 3.5Å; R104-V115 HydrophobicContact CB-CG2 3.84Å; R104-V115 HydrophobicContact CG-CG2 4.08Å; F111-V115 PolarHBondContact O-N 3.4Å; W112-V115 HydrophobicContact CE3-CB 4.33Å; W112-V115 HydrophobicContact CE3-CG1 4.18Å; W112-V115 HydrophobicContact CZ3-CG1 4.39Å; W112-V115 WeakPolarHBondContact O-CB 3.29Å; W112-V115 PolarHBondContact O-N 2.73Å; W112-V115 VanDerWaalsContact O-N 3.13Å; V115-P118 WeakPolarHBondContact O-CD 3.16Å |
| 116 | F | 95.6 | Very high | 91.7 | Very high | 13 Ų | 13 | 59.1 Ų | 59.1 | 6% | 0.057 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -6.9 | 178.8 | -84.5 | -105.8 | 0 | 0 | 0 | 114.2 | F97 W112 L114 P118 L119 F120 F153 I156 A157 L160 | F97-F116 AromaticContact CE2-CD1 3.99Å; F97-F116 HydrophobicContact CE2-CD1 3.99Å; F97-F116 AromaticContact CE2-CD2 3.96Å; F97-F116 HydrophobicContact CE2-CD2 3.96Å; F97-F116 AromaticContact CE2-CE1 3.97Å; F97-F116 HydrophobicContact CE2-CE1 3.97Å; F97-F116 AromaticContact CE2-CE2 3.96Å; F97-F116 HydrophobicContact CE2-CE2 3.96Å; F97-F116 AromaticContact CE2-CG 3.98Å; F97-F116 HydrophobicContact CE2-CG 3.98Å; F97-F116 AromaticContact CE2-CZ 3.95Å; F97-F116 HydrophobicContact CE2-CZ 3.95Å; F97-F116 HydrophobicContact CZ-CE1 4.14Å; F97-F116 HydrophobicContact CZ-CE2 4.38Å; F97-F116 HydrophobicContact CZ-CZ 4.03Å; W112-F116 HydrophobicContact CE3-CD2 4.33Å; W112-F116 AromaticContact CE3-CE2 3.9Å; W112-F116 HydrophobicContact CE3-CE2 3.9Å; W112-F116 HydrophobicContact CZ3-CE2 4.44Å; W112-F116 WeakPolarHBondContact O-CB 3.47Å; W112-F116 VanDerWaalsContact O-CD2 3.28Å; W112-F116 WeakPolarHBondContact O-CD2 3.24Å; W112-F116 PolarHBondContact O-N 3.21Å; L114-F116 PolarHBondContact O-N 3.28Å; F116-P118 VanDerWaalsContact C-N 3.32Å; F116-L119 HydrophobicContact CD1-CD1 3.71Å; F116-L119 HydrophobicContact CE1-CD1 3.89Å; F116-L119 WeakPolarHBondContact O-CB 3.39Å; F116-L119 PolarHBondContact O-N 3.2Å; F116-F120 HydrophobicContact CB-CE1 4.03Å; F116-F120 HydrophobicContact CB-CE2 4.16Å; F116-F120 HydrophobicContact CB-CZ 3.68Å; F116-F120 PolarHBondContact O-N 2.96Å; F116-F153 HydrophobicContact CD1-CB 4.17Å; F116-F153 WeakPolarHBondContact CD1-O 3.32Å; F116-I156 HydrophobicContact CE1-CB 4.2Å; F116-I156 HydrophobicContact CE1-CG2 3.94Å; F116-I156 HydrophobicContact CE2-CG2 4.21Å; F116-I156 HydrophobicContact CZ-CB 4.21Å; F116-I156 HydrophobicContact CZ-CG2 3.46Å; F116-I156 VanDerWaalsContact CZ-CG2 3.46Å; F116-A157 HydrophobicContact CB-CB 3.8Å; F116-A157 HydrophobicContact CD1-CB 4.21Å; F116-A157 HydrophobicContact CD2-CB 3.95Å; F116-A157 HydrophobicContact CG-CB 3.72Å; F116-L160 HydrophobicContact CE2-CD1 4.02Å; F116-L160 HydrophobicContact CZ-CD1 4.37Å |
| 117 | M | 94.4 | Very high | 91.8 | Very high | 98 Ų | 98 | 58.6 Ų | 58.6 | 48% | 0.483 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -49.1 | -43.4 | 177.6 | -171.9 | -172.7 | -169.8 | 0 | 0 | 113.7 | L113 L114 L119 F120 F121 | L113-M117 PolarHBondContact O-N 3.23Å; L114-M117 WeakPolarHBondContact O-CB 3.49Å; L114-M117 PolarHBondContact O-N 2.93Å; L114-M117 VanDerWaalsContact O-N 3.11Å; M117-L119 VanDerWaalsContact C-N 3.3Å; M117-L119 PolarHBondContact O-N 3.18Å; M117-F120 WeakPolarHBondContact O-CB 3.44Å; M117-F120 PolarHBondContact O-N 3.33Å; M117-F121 HydrophobicContact CE-CE2 3.6Å; M117-F121 HydrophobicContact CE-CZ 4.11Å; M117-F121 HydrophobicContact CG-CD2 4.14Å; M117-F121 HydrophobicContact CG-CE2 3.72Å; M117-F121 VanDerWaalsContact O-CD2 3.24Å; M117-F121 WeakPolarHBondContact O-CD2 3.44Å; M117-F121 PolarHBondContact O-N 3.39Å; M117-F121 HydrophobicContact SD-CE2 4.34Å |
| 118 | P | 96 | Very high | 91.9 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.4 | -40.2 | 176.6 | -17.7 | 29.1 | 0 | 0 | 0 | 112.5 | L93 M96 F97 L100 V115 F116 F120 F121 V122 | L93-P118 WeakPolarHBondContact O-CB 3.18Å; M96-P118 HydrophobicContact CB-CB 4.4Å; M96-P118 HydrophobicContact CB-CG 4.3Å; M96-P118 HydrophobicContact CE-CB 3.53Å; M96-P118 HydrophobicContact CE-CG 3.56Å; M96-P118 HydrophobicContact CG-CB 4.39Å; M96-P118 HydrophobicContact CG-CG 3.85Å; M96-P118 HydrophobicContact SD-CG 4.37Å; F97-P118 HydrophobicContact CB-CB 4.01Å; F97-P118 HydrophobicContact CB-CG 4.12Å; L100-P118 HydrophobicContact CD1-CG 3.78Å; V115-P118 WeakPolarHBondContact O-CD 3.16Å; F116-P118 VanDerWaalsContact C-N 3.32Å; P118-F120 VanDerWaalsContact C-N 3.33Å; P118-F120 PolarHBondContact O-N 3.19Å; P118-F121 PolarHBondContact O-N 3.17Å; P118-F121 VanDerWaalsContact O-N 3.14Å; P118-V122 WeakPolarHBondContact O-CG2 3.46Å; P118-V122 PolarHBondContact O-N 3.14Å |
| 119 | L | 94.4 | Very high | 92.1 | Very high | 6 Ų | 6 | 50.5 Ų | 50.5 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.2 | -35.3 | 178.5 | -67.4 | -178.4 | 0 | 0 | 0 | 112.2 | L94 F97 F116 M117 F121 V122 S123 F153 | L94-L119 HydrophobicContact CD2-CD2 3.57Å; F97-L119 HydrophobicContact CB-CD2 4.32Å; F97-L119 HydrophobicContact CB-CG 4.18Å; F97-L119 HydrophobicContact CD1-CD1 4.03Å; F97-L119 HydrophobicContact CD1-CD2 4.18Å; F97-L119 HydrophobicContact CD1-CG 4.15Å; F97-L119 HydrophobicContact CD2-CD1 3.61Å; F97-L119 HydrophobicContact CD2-CD2 4.49Å; F97-L119 HydrophobicContact CD2-CG 3.64Å; F97-L119 HydrophobicContact CE1-CD1 3.85Å; F97-L119 HydrophobicContact CE1-CG 4.47Å; F97-L119 HydrophobicContact CE2-CD1 3.41Å; F97-L119 VanDerWaalsContact CE2-CD1 3.41Å; F97-L119 HydrophobicContact CE2-CG 4.01Å; F97-L119 HydrophobicContact CG-CD1 3.92Å; F97-L119 HydrophobicContact CG-CD2 4.08Å; F97-L119 HydrophobicContact CG-CG 3.72Å; F97-L119 HydrophobicContact CZ-CD1 3.53Å; F97-L119 HydrophobicContact CZ-CG 4.4Å; F116-L119 HydrophobicContact CD1-CD1 3.71Å; F116-L119 HydrophobicContact CE1-CD1 3.89Å; F116-L119 WeakPolarHBondContact O-CB 3.39Å; F116-L119 PolarHBondContact O-N 3.2Å; M117-L119 VanDerWaalsContact C-N 3.3Å; M117-L119 PolarHBondContact O-N 3.18Å; L119-F121 PolarHBondContact O-N 3.31Å; L119-V122 PolarHBondContact O-N 2.87Å; L119-S123 PolarHBondContact O-N 3.42Å; L119-S123 PolarHBondContact O-OG 3.18Å; L119-F153 HydrophobicContact CB-CB 4.41Å; L119-F153 HydrophobicContact CB-CD2 3.95Å; L119-F153 HydrophobicContact CB-CE2 4.44Å; L119-F153 HydrophobicContact CB-CG 4.17Å; L119-F153 HydrophobicContact CD1-CD1 3.93Å; L119-F153 HydrophobicContact CD1-CD2 4.43Å; L119-F153 HydrophobicContact CD1-CE1 4.24Å; L119-F153 HydrophobicContact CD1-CG 4.05Å |
| 120 | F | 93.7 | Very high | 92.9 | Very high | 51 Ų | 51 | 49.2 Ų | 49.2 | 22% | 0.224 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.7 | -28.9 | 174.3 | -55.4 | -27.8 | 0 | 0 | 0 | 112.6 | L113 F116 M117 P118 P124 F153 I154 A157 | L113-F120 HydrophobicContact CG-CE2 4.25Å; F116-F120 HydrophobicContact CB-CE1 4.03Å; F116-F120 HydrophobicContact CB-CE2 4.16Å; F116-F120 HydrophobicContact CB-CZ 3.68Å; F116-F120 PolarHBondContact O-N 2.96Å; M117-F120 WeakPolarHBondContact O-CB 3.44Å; M117-F120 PolarHBondContact O-N 3.33Å; P118-F120 VanDerWaalsContact C-N 3.33Å; P118-F120 PolarHBondContact O-N 3.19Å; F120-P124 WeakPolarHBondContact O-CD 3.24Å; F120-P124 WeakPolarHBondContact O-CG 3.44Å; F120-F153 HydrophobicContact CD1-CB 4.44Å; F120-F153 HydrophobicContact CE1-CB 4.16Å; F120-I154 HydrophobicContact CD1-CG1 3.99Å; F120-I154 HydrophobicContact CE1-CB 4.33Å; F120-I154 HydrophobicContact CE1-CG1 3.61Å; F120-I154 HydrophobicContact CZ-CG1 4.28Å; F120-A157 HydrophobicContact CZ-CB 3.99Å |
| 121 | F | 94 | Very high | 93.1 | Very high | 110 Ų | 110 | 49.1 Ų | 49.1 | 48% | 0.482 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -82.1 | -35.3 | 171.1 | -74.2 | -72.2 | 0 | 0 | 0 | 112.9 | M117 P118 L119 S123 P124 V125 | M117-F121 HydrophobicContact CE-CE2 3.6Å; M117-F121 HydrophobicContact CE-CZ 4.11Å; M117-F121 HydrophobicContact CG-CD2 4.14Å; M117-F121 HydrophobicContact CG-CE2 3.72Å; M117-F121 VanDerWaalsContact O-CD2 3.24Å; M117-F121 WeakPolarHBondContact O-CD2 3.44Å; M117-F121 PolarHBondContact O-N 3.39Å; M117-F121 HydrophobicContact SD-CE2 4.34Å; P118-F121 PolarHBondContact O-N 3.17Å; P118-F121 VanDerWaalsContact O-N 3.14Å; L119-F121 PolarHBondContact O-N 3.31Å; F121-S123 VanDerWaalsContact C-N 3.32Å; F121-S123 PolarHBondContact O-N 3.27Å; F121-P124 WeakPolarHBondContact O-CD 3.44Å; F121-V125 WeakPolarHBondContact O-CB 3.46Å; F121-V125 VanDerWaalsContact O-CG2 3.24Å; F121-V125 WeakPolarHBondContact O-CG2 3.39Å; F121-V125 PolarHBondContact O-N 2.95Å |
| 122 | V | 94.3 | Very high | 93 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.6 | -45.3 | 176.9 | 171.7 | 0 | 0 | 0 | 0 | 110.4 | I90 L93 P118 L119 V125 S126 C146 | I90-V122 HydrophobicContact CG2-CG1 4.04Å; L93-V122 HydrophobicContact CB-CG2 3.29Å; L93-V122 HydrophobicContact CD1-CG2 3.71Å; L93-V122 HydrophobicContact CG-CG2 4.13Å; P118-V122 WeakPolarHBondContact O-CG2 3.46Å; P118-V122 PolarHBondContact O-N 3.14Å; L119-V122 PolarHBondContact O-N 2.87Å; V122-V125 PolarHBondContact O-N 3.39Å; V122-S126 VanDerWaalsContact O-CB 3.31Å; V122-S126 WeakPolarHBondContact O-CB 3.44Å; V122-S126 PolarHBondContact O-N 2.98Å; V122-S126 PolarHBondContact O-OG 3.01Å; V122-C146 HydrophobicContact CG1-CB 3.74Å |
| 123 | S | 92.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.007 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59 | -51.7 | -175 | -65.5 | 0 | 0 | 0 | 0 | 114.2 | L119 F121 V125 S126 V127 C146 | L119-S123 PolarHBondContact O-N 3.42Å; L119-S123 PolarHBondContact O-OG 3.18Å; F121-S123 VanDerWaalsContact C-N 3.32Å; F121-S123 PolarHBondContact O-N 3.27Å; S123-V125 PolarHBondContact O-N 2.85Å; S123-S126 PolarHBondContact O-N 3.46Å; S123-V127 WeakPolarHBondContact O-CG2 3.43Å; S123-V127 PolarHBondContact O-N 2.69Å; S123-C146 WeakPolarHBondContact CB-O 3.33Å; S123-C146 PolarHBondContact OG-O 3.43Å |
| 124 | P | 92.3 | Very high | 92.1 | Very high | 70 Ų | 70 | 45.6 Ų | 45.6 | 46% | 0.455 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.7 | -39.7 | 174.1 | -24 | 33.3 | 0 | 0 | 0 | 113.7 | F120 F121 S126 V127 A128 | F120-P124 WeakPolarHBondContact O-CD 3.24Å; F120-P124 WeakPolarHBondContact O-CG 3.44Å; F121-P124 WeakPolarHBondContact O-CD 3.44Å; P124-S126 VanDerWaalsContact C-N 3.29Å; P124-S126 PolarHBondContact O-N 3.42Å; P124-V127 PolarHBondContact O-N 3.31Å; P124-A128 PolarHBondContact O-N 2.85Å |
| 125 | V | 92.9 | Very high | 91.8 | Very high | 65 Ų | 65 | 51.9 Ų | 51.9 | 39% | 0.394 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 176.1 | 171.2 | 0 | 0 | 0 | 0 | 110.3 | I90 F121 V122 S123 A128 A129 | I90-V125 HydrophobicContact CG1-CG1 4.29Å; F121-V125 WeakPolarHBondContact O-CB 3.46Å; F121-V125 VanDerWaalsContact O-CG2 3.24Å; F121-V125 WeakPolarHBondContact O-CG2 3.39Å; F121-V125 PolarHBondContact O-N 2.95Å; V122-V125 PolarHBondContact O-N 3.39Å; S123-V125 PolarHBondContact O-N 2.85Å; V125-A128 PolarHBondContact O-N 3.34Å; V125-A129 WeakPolarHBondContact O-CB 3.47Å; V125-A129 PolarHBondContact O-N 3.3Å |
| 126 | S | 92.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.6 | -36 | 175.5 | -64 | 0 | 0 | 0 | 0 | 112.4 | V122 S123 P124 A129 C130 E143 C146 S147 | V122-S126 VanDerWaalsContact O-CB 3.31Å; V122-S126 WeakPolarHBondContact O-CB 3.44Å; V122-S126 PolarHBondContact O-N 2.98Å; V122-S126 PolarHBondContact O-OG 3.01Å; S123-S126 PolarHBondContact O-N 3.46Å; P124-S126 VanDerWaalsContact C-N 3.29Å; P124-S126 PolarHBondContact O-N 3.42Å; S126-A129 PolarHBondContact O-N 3.2Å; S126-C130 WeakPolarHBondContact O-CB 3.38Å; S126-C130 PolarHBondContact O-N 3.23Å; S126-C130 PolarHBondContact O-SG 2.99Å; S126-E143 VanDerWaalsContact CB-O 3.31Å; S126-E143 WeakPolarHBondContact CB-O 3.46Å; S126-C146 WeakPolarHBondContact OG-CB 3.38Å; S126-S147 VanDerWaalsContact CB-OG 3.26Å; S126-S147 WeakPolarHBondContact CB-OG 3.25Å; S126-S147 PolarHBondContact O-OG 2.77Å |
| 127 | V | 92.5 | Very high | 90.3 | Very high | 73 Ų | 73 | 62.3 Ų | 62.3 | 44% | 0.442 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62 | -46.7 | 173.2 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | S123 P124 A129 C130 V131 S147 | S123-V127 WeakPolarHBondContact O-CG2 3.43Å; S123-V127 PolarHBondContact O-N 2.69Å; P124-V127 PolarHBondContact O-N 3.31Å; V127-A129 VanDerWaalsContact C-N 3.33Å; V127-A129 PolarHBondContact O-N 2.91Å; V127-C130 WeakPolarHBondContact O-CB 3.49Å; V127-C130 PolarHBondContact O-N 3.49Å; V127-V131 WeakPolarHBondContact O-CG2 3.47Å; V127-V131 PolarHBondContact O-N 2.85Å; V127-S147 PolarHBondContact N-OG 3.36Å |
| 128 | A | 91.6 | Very high | 89.4 | Confident | 62 Ų | 62 | 60.8 Ų | 60.8 | 51% | 0.512 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | P124 V125 C130 V131 W132 | P124-A128 PolarHBondContact O-N 2.85Å; V125-A128 PolarHBondContact O-N 3.34Å; A128-C130 VanDerWaalsContact C-N 3.33Å; A128-C130 PolarHBondContact O-N 3.3Å; A128-V131 PolarHBondContact O-N 3.3Å; A128-W132 WeakPolarHBondContact O-CB 3.45Å; A128-W132 PolarHBondContact O-N 3.38Å |
| 129 | A | 89.7 | Confident | 88.2 | Confident | 4 Ų | 4 | 65.2 Ų | 65.2 | 3% | 0.033 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.8 | -38 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I86 V125 S126 V127 W132 G133 E143 | I86-A129 HydrophobicContact CG2-CB 3.6Å; V125-A129 WeakPolarHBondContact O-CB 3.47Å; V125-A129 PolarHBondContact O-N 3.3Å; S126-A129 PolarHBondContact O-N 3.2Å; V127-A129 VanDerWaalsContact C-N 3.33Å; V127-A129 PolarHBondContact O-N 2.91Å; A129-W132 PolarHBondContact O-N 3.31Å; A129-G133 PolarHBondContact O-N 3.34Å; A129-E143 HydrophobicContact CB-CB 4.47Å; A129-E143 HydrophobicContact CB-CG 4.02Å |
| 130 | C | 89.9 | Confident | 87.1 | Confident | 13 Ų | 13 | 65.6 Ų | 65.6 | 9% | 0.088 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.4 | -50 | 175.8 | -74.1 | 0 | 0 | 0 | 0 | 111.3 | S126 V127 A128 W132 G133 F134 L140 E143 | S126-C130 WeakPolarHBondContact O-CB 3.38Å; S126-C130 PolarHBondContact O-N 3.23Å; S126-C130 PolarHBondContact O-SG 2.99Å; V127-C130 WeakPolarHBondContact O-CB 3.49Å; V127-C130 PolarHBondContact O-N 3.49Å; A128-C130 VanDerWaalsContact C-N 3.33Å; A128-C130 PolarHBondContact O-N 3.3Å; C130-W132 VanDerWaalsContact C-N 3.28Å; C130-W132 PolarHBondContact O-N 2.98Å; C130-G133 PolarHBondContact O-N 2.75Å; C130-F134 HydrophobicContact CB-CE2 4.42Å; C130-F134 WeakPolarHBondContact O-CD2 3.42Å; C130-F134 PolarHBondContact O-N 3.27Å; C130-L140 HydrophobicContact CB-CD1 4.27Å; C130-L140 WeakPolarHBondContact O-CD1 3.5Å; C130-E143 VanDerWaalsContact SG-C 3.58Å |
| 131 | V | 90.1 | Very high | 86.5 | Confident | 102 Ų | 102 | 67.7 Ų | 67.7 | 62% | 0.618 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -58.8 | -43.2 | 177.5 | 174.1 | 0 | 0 | 0 | 0 | 111 | V127 A128 R135 | V127-V131 WeakPolarHBondContact O-CG2 3.47Å; V127-V131 PolarHBondContact O-N 2.85Å; A128-V131 PolarHBondContact O-N 3.3Å; V131-R135 PolarHBondContact O-N 2.8Å |
| 132 | W | 89.7 | Confident | 86 | Confident | 58 Ų | 58 | 64.9 Ų | 64.9 | 22% | 0.22 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.7 | -44 | 176.2 | 177.7 | 79.4 | 0 | 0 | 0 | 112.1 | V79 K82 A83 I86 A128 A129 C130 R135 H136 | V79-W132 HydrophobicContact CG1-CH2 3.96Å; V79-W132 HydrophobicContact CG1-CZ2 3.89Å; V79-W132 WeakPolarHBondContact O-CH2 3.5Å; K82-W132 HydrophobicContact CB-CH2 3.99Å; K82-W132 HydrophobicContact CB-CZ2 3.88Å; K82-W132 HydrophobicContact CD-CZ2 4.46Å; A83-W132 HydrophobicContact CB-CH2 3.77Å; A83-W132 HydrophobicContact CB-CZ3 3.78Å; I86-W132 HydrophobicContact CD1-CD2 4.06Å; I86-W132 HydrophobicContact CD1-CE3 3.59Å; I86-W132 HydrophobicContact CD1-CH2 4.26Å; I86-W132 HydrophobicContact CD1-CZ3 3.71Å; A128-W132 WeakPolarHBondContact O-CB 3.45Å; A128-W132 PolarHBondContact O-N 3.38Å; A129-W132 PolarHBondContact O-N 3.31Å; C130-W132 VanDerWaalsContact C-N 3.28Å; C130-W132 PolarHBondContact O-N 2.98Å; W132-R135 WeakPolarHBondContact O-CB 3.28Å; W132-R135 PolarHBondContact O-N 3.01Å; W132-H136 AromaticContact CD1-CE1 3.53Å; W132-H136 AromaticContact CD1-ND1 3.81Å; W132-H136 AromaticContact CE2-CE1 3.85Å; W132-H136 AromaticContact CE2-ND1 3.8Å; W132-H136 AromaticContact NE1-CE1 3.2Å; W132-H136 PolarHBondContact NE1-CE1 2.96Å; W132-H136 AromaticContact NE1-ND1 3.57Å; W132-H136 AromaticContact NE1-NE2 3.96Å; W132-H136 PolarHBondContact O-N 2.95Å; W132-H136 PolarHBondContact O-ND1 3.41Å |
| 133 | G | 84.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.6 | -38.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A129 C130 R135 H136 D137 R138 | A129-G133 PolarHBondContact O-N 3.34Å; C130-G133 PolarHBondContact O-N 2.75Å; G133-R135 VanDerWaalsContact C-N 3.27Å; G133-R135 PolarHBondContact O-N 2.94Å; G133-H136 CarbonylContact O-C 3.4Å; G133-H136 PolarHBondContact O-N 3.29Å; G133-D137 PolarHBondContact O-N 3.2Å; G133-D137 VanDerWaalsContact O-N 3.08Å; G133-R138 PolarHBondContact O-N 3.16Å |
| 134 | F | 85.1 | Confident | 85.6 | Confident | 146 Ų | 146 | 68.4 Ų | 68.4 | 64% | 0.64 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -60.1 | -37.4 | 172.9 | -82.5 | -60.9 | 0 | 0 | 0 | 112.3 | C130 H136 D137 L140 I144 | C130-F134 HydrophobicContact CB-CE2 4.42Å; C130-F134 WeakPolarHBondContact O-CD2 3.42Å; C130-F134 PolarHBondContact O-N 3.27Å; F134-H136 PolarHBondContact O-N 2.94Å; F134-D137 PolarHBondContact O-N 3.35Å; F134-L140 HydrophobicContact CD2-CD1 4.26Å; F134-L140 HydrophobicContact CE2-CD1 4.4Å; F134-L140 HydrophobicContact CG-CD1 4.45Å; F134-I144 HydrophobicContact CZ-CD1 4.35Å |
| 135 | R | 87.4 | Confident | 85.3 | Confident | 214 Ų | 214 | 69.2 Ų | 69.2 | 81% | 0.808 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -66 | -24.2 | 177.1 | -172.1 | 179.4 | -179 | -177.7 | 2 | 113 | V131 W132 G133 | V131-R135 PolarHBondContact O-N 2.8Å; W132-R135 WeakPolarHBondContact O-CB 3.28Å; W132-R135 PolarHBondContact O-N 3.01Å; G133-R135 VanDerWaalsContact C-N 3.27Å; G133-R135 PolarHBondContact O-N 2.94Å |
| 136 | H | 82.9 | Confident | 85.1 | Confident | 75 Ų | 75 | 66.5 Ų | 66.5 | 35% | 0.347 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 19.3 | -176.7 | -58.9 | 84.6 | 0 | 0 | 0 | 112.6 | V79 W132 G133 F134 R138 | V79-H136 HydrophobicContact CG1-CB 3.86Å; W132-H136 AromaticContact CD1-CE1 3.53Å; W132-H136 AromaticContact CD1-ND1 3.81Å; W132-H136 AromaticContact CE2-CE1 3.85Å; W132-H136 AromaticContact CE2-ND1 3.8Å; W132-H136 AromaticContact NE1-CE1 3.2Å; W132-H136 PolarHBondContact NE1-CE1 2.96Å; W132-H136 AromaticContact NE1-ND1 3.57Å; W132-H136 AromaticContact NE1-NE2 3.96Å; W132-H136 PolarHBondContact O-N 2.95Å; W132-H136 PolarHBondContact O-ND1 3.41Å; G133-H136 CarbonylContact O-C 3.4Å; G133-H136 PolarHBondContact O-N 3.29Å; F134-H136 PolarHBondContact O-N 2.94Å; H136-R138 VanDerWaalsContact C-N 3.25Å; H136-R138 PolarHBondContact O-N 2.74Å |
| 137 | D | 75.8 | Confident | 85 | Confident | 160 Ų | 160 | 67.4 Ų | 67.4 | 86% | 0.856 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 38.7 | 177.9 | -157.7 | 23.5 | 0 | 0 | 0 | 114.4 | G133 F134 | G133-D137 PolarHBondContact O-N 3.2Å; G133-D137 VanDerWaalsContact O-N 3.08Å; F134-D137 PolarHBondContact O-N 3.35Å |
| 138 | R | 75.7 | Confident | 84.9 | Confident | 65 Ų | 65 | 67.6 Ų | 67.6 | 25% | 0.245 | 35% | 0.348 | C | S | . | . | trans | -90.9 | 139.3 | -178.1 | -165.1 | -151.7 | 175.5 | -167.2 | -3.2 | 111.1 | G133 H136 L140 E143 | G133-R138 PolarHBondContact O-N 3.16Å; H136-R138 VanDerWaalsContact C-N 3.25Å; H136-R138 PolarHBondContact O-N 2.74Å; R138-L140 PolarHBondContact O-N 2.91Å; R138-E143 IonicContact CZ-OE1 3.59Å; R138-E143 IonicContact NH1-OE1 2.77Å; R138-E143 PolarHBondContact NH1-OE1 2.95Å; R138-E143 IonicContact NH2-OE1 3.82Å | ||
| 139 | S | 70.3 | Confident | 84.9 | Confident | 95 Ų | 95 | 65.2 Ų | 65.2 | 66% | 0.664 | 33% | 0.326 | S | S | * | . | trans | -63.2 | 117.9 | 164.5 | 62 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 140 | L | 72.6 | Confident | 85 | Confident | 13 Ų | 13 | 68.2 Ų | 68.2 | 7% | 0.068 | 34% | 0.341 | C | S | . | . | trans | -118.3 | 104.9 | 179.2 | -65.1 | 157.5 | 0 | 0 | 0 | 108.1 | C130 F134 R138 E143 I144 | C130-L140 HydrophobicContact CB-CD1 4.27Å; C130-L140 WeakPolarHBondContact O-CD1 3.5Å; F134-L140 HydrophobicContact CD2-CD1 4.26Å; F134-L140 HydrophobicContact CE2-CD1 4.4Å; F134-L140 HydrophobicContact CG-CD1 4.45Å; R138-L140 PolarHBondContact O-N 2.91Å; L140-E143 HydrophobicContact CD2-CB 4.16Å; L140-E143 HydrophobicContact CD2-CG 4.1Å; L140-I144 HydrophobicContact CB-CD1 4.1Å; L140-I144 HydrophobicContact CB-CG1 3.96Å; L140-I144 WeakPolarHBondContact O-CD1 3.24Å; L140-I144 WeakPolarHBondContact O-CG1 3.46Å | ||
| 141 | E | 80.5 | Confident | 85.2 | Confident | 95 Ų | 95 | 71.5 Ų | 71.5 | 44% | 0.444 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -106.9 | -61.4 | -179.3 | -68.4 | -177.4 | -179.7 | 0 | 0 | 110.2 | K14 E143 I144 L145 | K14-E141 WeakPolarHBondContact CE-OE1 3.29Å; K14-E141 VanDerWaalsContact CE-OE2 3.3Å; K14-E141 WeakPolarHBondContact CE-OE2 3.39Å; K14-E141 IonicContact NZ-OE1 2.9Å; K14-E141 PolarHBondContact NZ-OE1 3.35Å; K14-E141 IonicContact NZ-OE2 3.99Å; K14-E141 PolarHBondContact NZ-OE2 3Å; E141-E143 PolarHBondContact N-OE2 3.42Å; E141-E143 PolarHBondContact O-N 2.94Å; E141-I144 PolarHBondContact O-N 3.34Å; E141-L145 WeakPolarHBondContact O-CG 3.28Å; E141-L145 PolarHBondContact O-N 2.92Å |
| 142 | L | 84 | Confident | 85.3 | Confident | 51 Ų | 51 | 66.9 Ų | 66.9 | 27% | 0.267 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.4 | -39.9 | -179.4 | -176.7 | 65 | 0 | 0 | 0 | 111.9 | I90 L94 I144 L145 C146 | I90-L142 HydrophobicContact CG2-CD2 4.09Å; L94-L142 HydrophobicContact CD1-CD1 4.47Å; L94-L142 HydrophobicContact CD1-CD2 4Å; L142-I144 VanDerWaalsContact C-N 3.34Å; L142-I144 PolarHBondContact O-N 3.11Å; L142-L145 PolarHBondContact O-N 3.34Å; L142-C146 PolarHBondContact O-N 3.23Å; L142-C146 PolarHBondContact O-SG 3.36Å |
| 143 | E | 88.9 | Confident | 85.6 | Confident | 11 Ų | 11 | 65.8 Ų | 65.8 | 5% | 0.051 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.6 | -40.4 | -179.4 | -59.1 | 93.3 | 154.4 | 0 | 0 | 111.5 | I90 S126 A129 C130 R138 L140 E141 C146 S147 | I90-E143 HydrophobicContact CD1-CG 3.61Å; S126-E143 VanDerWaalsContact CB-O 3.31Å; S126-E143 WeakPolarHBondContact CB-O 3.46Å; A129-E143 HydrophobicContact CB-CB 4.47Å; A129-E143 HydrophobicContact CB-CG 4.02Å; C130-E143 VanDerWaalsContact SG-C 3.58Å; R138-E143 IonicContact CZ-OE1 3.59Å; R138-E143 IonicContact NH1-OE1 2.77Å; R138-E143 PolarHBondContact NH1-OE1 2.95Å; R138-E143 IonicContact NH2-OE1 3.82Å; L140-E143 HydrophobicContact CD2-CB 4.16Å; L140-E143 HydrophobicContact CD2-CG 4.1Å; E141-E143 PolarHBondContact N-OE2 3.42Å; E141-E143 PolarHBondContact O-N 2.94Å; E143-C146 PolarHBondContact O-N 3.12Å; E143-S147 WeakPolarHBondContact O-CB 3.39Å; E143-S147 PolarHBondContact O-N 2.84Å; E143-S147 PolarHBondContact O-OG 2.92Å |
| 144 | I | 88.3 | Confident | 86 | Confident | 64 Ų | 64 | 68.6 Ų | 68.6 | 33% | 0.328 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.7 | -47.7 | 176.4 | -64.6 | -176.4 | 0 | 0 | 0 | 109.7 | F134 L140 E141 L142 C146 S147 V148 | F134-I144 HydrophobicContact CZ-CD1 4.35Å; L140-I144 HydrophobicContact CB-CD1 4.1Å; L140-I144 HydrophobicContact CB-CG1 3.96Å; L140-I144 WeakPolarHBondContact O-CD1 3.24Å; L140-I144 WeakPolarHBondContact O-CG1 3.46Å; E141-I144 PolarHBondContact O-N 3.34Å; L142-I144 VanDerWaalsContact C-N 3.34Å; L142-I144 PolarHBondContact O-N 3.11Å; I144-C146 VanDerWaalsContact C-N 3.33Å; I144-C146 PolarHBondContact O-N 3.41Å; I144-S147 PolarHBondContact O-N 3.46Å; I144-S147 VanDerWaalsContact O-N 3.12Å; I144-V148 HydrophobicContact CG2-CG1 4.24Å; I144-V148 WeakPolarHBondContact O-CG1 3.35Å; I144-V148 WeakPolarHBondContact O-CG2 3.39Å; I144-V148 PolarHBondContact O-N 3.41Å |
| 145 | L | 87.6 | Confident | 86.5 | Confident | 88 Ų | 88 | 63.5 Ų | 63.5 | 46% | 0.461 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -57.8 | -44 | 178.9 | -71.2 | 172.5 | 0 | 0 | 0 | 112.3 | E141 L142 N149 L178 | E141-L145 WeakPolarHBondContact O-CG 3.28Å; E141-L145 PolarHBondContact O-N 2.92Å; L142-L145 PolarHBondContact O-N 3.34Å; L145-N149 WeakPolarHBondContact O-CB 3.35Å; L145-N149 PolarHBondContact O-N 2.84Å; L145-N149 PolarHBondContact O-ND2 3.29Å; L145-L178 HydrophobicContact CD2-CD2 4.21Å |
| 146 | C | 88.4 | Confident | 86.9 | Confident | 7 Ų | 7 | 55.2 Ų | 55.2 | 5% | 0.047 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.7 | -33.8 | 177.4 | -72.4 | 0 | 0 | 0 | 0 | 113 | V122 S123 S126 L142 E143 I144 | V122-C146 HydrophobicContact CG1-CB 3.74Å; S123-C146 WeakPolarHBondContact CB-O 3.33Å; S123-C146 PolarHBondContact OG-O 3.43Å; S126-C146 WeakPolarHBondContact OG-CB 3.38Å; L142-C146 PolarHBondContact O-N 3.23Å; L142-C146 PolarHBondContact O-SG 3.36Å; E143-C146 PolarHBondContact O-N 3.12Å; I144-C146 VanDerWaalsContact C-N 3.33Å; I144-C146 PolarHBondContact O-N 3.41Å |
| 147 | S | 90.2 | Very high | 87.4 | Confident | 19 Ų | 19 | 51.6 Ų | 51.6 | 13% | 0.133 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.3 | -47.8 | -180 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | S126 V127 E143 I144 N149 | S126-S147 VanDerWaalsContact CB-OG 3.26Å; S126-S147 WeakPolarHBondContact CB-OG 3.25Å; S126-S147 PolarHBondContact O-OG 2.77Å; V127-S147 PolarHBondContact N-OG 3.36Å; E143-S147 WeakPolarHBondContact O-CB 3.39Å; E143-S147 PolarHBondContact O-N 2.84Å; E143-S147 PolarHBondContact O-OG 2.92Å; I144-S147 PolarHBondContact O-N 3.46Å; I144-S147 VanDerWaalsContact O-N 3.12Å; S147-N149 VanDerWaalsContact C-N 3.31Å; S147-N149 PolarHBondContact O-N 2.94Å |
| 148 | V | 90.4 | Very high | 88.4 | Confident | 77 Ų | 77 | 45.6 Ų | 45.6 | 47% | 0.467 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -72.6 | -24.9 | -175.8 | -58.5 | 0 | 0 | 0 | 0 | 113 | I144 | I144-V148 HydrophobicContact CG2-CG1 4.24Å; I144-V148 WeakPolarHBondContact O-CG1 3.35Å; I144-V148 WeakPolarHBondContact O-CG2 3.39Å; I144-V148 PolarHBondContact O-N 3.41Å |
| 149 | N | 91 | Very high | 89.3 | Confident | 13 Ų | 13 | 44.9 Ų | 44.9 | 7% | 0.07 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 13.4 | -175.3 | -72.6 | -60 | 0 | 0 | 0 | 114.7 | L145 S147 L151 Q152 F153 L175 | L145-N149 WeakPolarHBondContact O-CB 3.35Å; L145-N149 PolarHBondContact O-N 2.84Å; L145-N149 PolarHBondContact O-ND2 3.29Å; S147-N149 VanDerWaalsContact C-N 3.31Å; S147-N149 PolarHBondContact O-N 2.94Å; N149-L151 VanDerWaalsContact C-N 3.26Å; N149-L151 PolarHBondContact O-N 3.35Å; N149-Q152 HydrophobicContact CB-CB 4.21Å; N149-Q152 VanDerWaalsContact O-CB 3.29Å; N149-Q152 WeakPolarHBondContact O-CB 3.36Å; N149-Q152 PolarHBondContact O-N 3.18Å; N149-F153 HydrophobicContact CB-CE1 4.07Å; N149-F153 HydrophobicContact CB-CE2 4.15Å; N149-F153 HydrophobicContact CB-CZ 3.78Å; N149-F153 WeakPolarHBondContact O-CD2 3.13Å; N149-F153 WeakPolarHBondContact O-CG 3.48Å; N149-F153 PolarHBondContact O-N 3.08Å; N149-L175 WeakPolarHBondContact OD1-CD2 3.47Å |
| 150 | I | 92.5 | Very high | 90.4 | Very high | 67 Ų | 67 | 43 Ų | 43 | 34% | 0.344 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -54.1 | -43.3 | 178.8 | -169.7 | 172 | 0 | 0 | 0 | 112.5 | Q152 F153 I154 | I150-Q152 VanDerWaalsContact C-N 3.33Å; I150-Q152 PolarHBondContact O-N 3.23Å; I150-F153 PolarHBondContact O-N 3.3Å; I150-I154 HydrophobicContact CG1-CD1 4.27Å; I150-I154 WeakPolarHBondContact O-CG1 3.31Å; I150-I154 PolarHBondContact O-N 3.01Å |
| 151 | L | 92.3 | Very high | 91.4 | Very high | 82 Ų | 82 | 43.8 Ų | 43.8 | 43% | 0.429 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -68.2 | -36.2 | -179.1 | -169.7 | 62.9 | 0 | 0 | 0 | 111.3 | N149 I154 F155 P174 | N149-L151 VanDerWaalsContact C-N 3.26Å; N149-L151 PolarHBondContact O-N 3.35Å; L151-I154 PolarHBondContact O-N 3.47Å; L151-F155 HydrophobicContact CD1-CD1 4.32Å; L151-F155 HydrophobicContact CD1-CE1 3.67Å; L151-F155 HydrophobicContact CD1-CE2 3.95Å; L151-F155 HydrophobicContact CD1-CZ 3.47Å; L151-F155 VanDerWaalsContact CD1-CZ 3.47Å; L151-F155 HydrophobicContact CD2-CE2 3.71Å; L151-F155 HydrophobicContact CD2-CZ 3.81Å; L151-F155 HydrophobicContact CG-CD2 4.01Å; L151-F155 HydrophobicContact CG-CE1 4.14Å; L151-F155 HydrophobicContact CG-CE2 3.48Å; L151-F155 VanDerWaalsContact CG-CE2 3.48Å; L151-F155 HydrophobicContact CG-CZ 3.55Å; L151-F155 WeakPolarHBondContact O-CG 3.39Å; L151-F155 PolarHBondContact O-N 2.96Å; L151-P174 HydrophobicContact CB-CG 3.98Å; L151-P174 HydrophobicContact CD2-CG 4.1Å; L151-P174 HydrophobicContact CG-CG 4.08Å |
| 152 | Q | 93.9 | Very high | 92 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.019 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.9 | -46.6 | 175.4 | -171.5 | 61.3 | 50.8 | 0 | 0 | 110.9 | N149 I150 I154 F155 I156 V171 P174 L175 | N149-Q152 HydrophobicContact CB-CB 4.21Å; N149-Q152 VanDerWaalsContact O-CB 3.29Å; N149-Q152 WeakPolarHBondContact O-CB 3.36Å; N149-Q152 PolarHBondContact O-N 3.18Å; I150-Q152 VanDerWaalsContact C-N 3.33Å; I150-Q152 PolarHBondContact O-N 3.23Å; Q152-I154 VanDerWaalsContact C-N 3.31Å; Q152-I154 PolarHBondContact O-N 3.45Å; Q152-F155 PolarHBondContact O-N 2.74Å; Q152-I156 HydrophobicContact CG-CD1 3.78Å; Q152-I156 HydrophobicContact CG-CG1 4.42Å; Q152-I156 WeakPolarHBondContact O-CB 3.34Å; Q152-I156 VanDerWaalsContact O-CG1 3.25Å; Q152-I156 WeakPolarHBondContact O-CG1 3.42Å; Q152-I156 PolarHBondContact O-N 2.7Å; Q152-V171 PolarHBondContact NE2-O 3.46Å; Q152-V171 PolarHBondContact OE1-O 3.04Å; Q152-P174 HydrophobicContact CB-CB 4.02Å; Q152-P174 HydrophobicContact CB-CG 4.22Å; Q152-P174 VanDerWaalsContact OE1-CD 3.32Å; Q152-L175 HydrophobicContact CG-CD1 3.95Å; Q152-L175 HydrophobicContact CG-CG 3.91Å |
| 153 | F | 94 | Very high | 92.5 | Very high | 35 Ų | 35 | 49.5 Ų | 49.5 | 15% | 0.154 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.1 | -41.8 | 179.5 | -57.6 | -31.5 | 0 | 0 | 0 | 111.5 | F116 L119 F120 N149 I150 A157 | F116-F153 HydrophobicContact CD1-CB 4.17Å; F116-F153 WeakPolarHBondContact CD1-O 3.32Å; L119-F153 HydrophobicContact CB-CB 4.41Å; L119-F153 HydrophobicContact CB-CD2 3.95Å; L119-F153 HydrophobicContact CB-CE2 4.44Å; L119-F153 HydrophobicContact CB-CG 4.17Å; L119-F153 HydrophobicContact CD1-CD1 3.93Å; L119-F153 HydrophobicContact CD1-CD2 4.43Å; L119-F153 HydrophobicContact CD1-CE1 4.24Å; L119-F153 HydrophobicContact CD1-CG 4.05Å; F120-F153 HydrophobicContact CD1-CB 4.44Å; F120-F153 HydrophobicContact CE1-CB 4.16Å; N149-F153 HydrophobicContact CB-CE1 4.07Å; N149-F153 HydrophobicContact CB-CE2 4.15Å; N149-F153 HydrophobicContact CB-CZ 3.78Å; N149-F153 WeakPolarHBondContact O-CD2 3.13Å; N149-F153 WeakPolarHBondContact O-CG 3.48Å; N149-F153 PolarHBondContact O-N 3.08Å; I150-F153 PolarHBondContact O-N 3.3Å; F153-A157 WeakPolarHBondContact O-CB 3.36Å; F153-A157 PolarHBondContact O-N 2.9Å; F153-A157 VanDerWaalsContact O-N 3.08Å |
| 154 | I | 94.5 | Very high | 92.8 | Very high | 60 Ų | 60 | 50.3 Ų | 50.3 | 31% | 0.308 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.3 | -49.7 | 177.5 | -66.1 | 167.2 | 0 | 0 | 0 | 110.5 | F120 I150 L151 Q152 I156 A157 L158 | F120-I154 HydrophobicContact CD1-CG1 3.99Å; F120-I154 HydrophobicContact CE1-CB 4.33Å; F120-I154 HydrophobicContact CE1-CG1 3.61Å; F120-I154 HydrophobicContact CZ-CG1 4.28Å; I150-I154 HydrophobicContact CG1-CD1 4.27Å; I150-I154 WeakPolarHBondContact O-CG1 3.31Å; I150-I154 PolarHBondContact O-N 3.01Å; L151-I154 PolarHBondContact O-N 3.47Å; Q152-I154 VanDerWaalsContact C-N 3.31Å; Q152-I154 PolarHBondContact O-N 3.45Å; I154-I156 PolarHBondContact O-N 3.37Å; I154-A157 PolarHBondContact O-N 3.15Å; I154-L158 HydrophobicContact CG2-CD1 3.75Å; I154-L158 HydrophobicContact CG2-CG 4.34Å; I154-L158 VanDerWaalsContact O-CG 3.31Å; I154-L158 WeakPolarHBondContact O-CG 3.48Å; I154-L158 PolarHBondContact O-N 3.32Å |
| 155 | F | 95.1 | Very high | 93 | Very high | 38 Ų | 38 | 54.3 Ų | 54.3 | 17% | 0.167 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.6 | -40.7 | -178.9 | -67 | -21.1 | 0 | 0 | 0 | 112.6 | L151 Q152 R159 W166 V171 P174 | L151-F155 HydrophobicContact CD1-CD1 4.32Å; L151-F155 HydrophobicContact CD1-CE1 3.67Å; L151-F155 HydrophobicContact CD1-CE2 3.95Å; L151-F155 HydrophobicContact CD1-CZ 3.47Å; L151-F155 VanDerWaalsContact CD1-CZ 3.47Å; L151-F155 HydrophobicContact CD2-CE2 3.71Å; L151-F155 HydrophobicContact CD2-CZ 3.81Å; L151-F155 HydrophobicContact CG-CD2 4.01Å; L151-F155 HydrophobicContact CG-CE1 4.14Å; L151-F155 HydrophobicContact CG-CE2 3.48Å; L151-F155 VanDerWaalsContact CG-CE2 3.48Å; L151-F155 HydrophobicContact CG-CZ 3.55Å; L151-F155 WeakPolarHBondContact O-CG 3.39Å; L151-F155 PolarHBondContact O-N 2.96Å; Q152-F155 PolarHBondContact O-N 2.74Å; F155-R159 WeakPolarHBondContact O-CB 3.41Å; F155-R159 PolarHBondContact O-N 3.06Å; F155-W166 HydrophobicContact CD1-CZ3 4.43Å; F155-W166 HydrophobicContact CE1-CZ3 4.11Å; F155-W166 HydrophobicContact CZ-CZ3 4.3Å; F155-V171 HydrophobicContact CB-CG1 3.9Å; F155-P174 HydrophobicContact CD2-CG 4.37Å; F155-P174 HydrophobicContact CE2-CG 4.44Å |
| 156 | I | 95.4 | Very high | 93.3 | Very high | 40 Ų | 40 | 55.9 Ų | 55.9 | 21% | 0.205 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.2 | -48.1 | 175.9 | -68.7 | 169.4 | 0 | 0 | 0 | 110.2 | F116 Q152 I154 L158 R159 L160 V171 | F116-I156 HydrophobicContact CE1-CB 4.2Å; F116-I156 HydrophobicContact CE1-CG2 3.94Å; F116-I156 HydrophobicContact CE2-CG2 4.21Å; F116-I156 HydrophobicContact CZ-CB 4.21Å; F116-I156 HydrophobicContact CZ-CG2 3.46Å; F116-I156 VanDerWaalsContact CZ-CG2 3.46Å; Q152-I156 HydrophobicContact CG-CD1 3.78Å; Q152-I156 HydrophobicContact CG-CG1 4.42Å; Q152-I156 WeakPolarHBondContact O-CB 3.34Å; Q152-I156 VanDerWaalsContact O-CG1 3.25Å; Q152-I156 WeakPolarHBondContact O-CG1 3.42Å; Q152-I156 PolarHBondContact O-N 2.7Å; I154-I156 PolarHBondContact O-N 3.37Å; I156-L158 PolarHBondContact O-N 2.71Å; I156-R159 PolarHBondContact O-N 2.92Å; I156-L160 HydrophobicContact CG2-CD1 3.56Å; I156-L160 HydrophobicContact CG2-CG 4.1Å; I156-L160 WeakPolarHBondContact O-CB 3.31Å; I156-L160 VanDerWaalsContact O-CG 3.24Å; I156-L160 WeakPolarHBondContact O-CG 3.26Å; I156-L160 PolarHBondContact O-N 3.09Å; I156-V171 HydrophobicContact CG1-CG1 4.01Å |
| 157 | A | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.4 | -48.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | F116 F120 F153 I154 R159 L160 D161 | F116-A157 HydrophobicContact CB-CB 3.8Å; F116-A157 HydrophobicContact CD1-CB 4.21Å; F116-A157 HydrophobicContact CD2-CB 3.95Å; F116-A157 HydrophobicContact CG-CB 3.72Å; F120-A157 HydrophobicContact CZ-CB 3.99Å; F153-A157 WeakPolarHBondContact O-CB 3.36Å; F153-A157 PolarHBondContact O-N 2.9Å; F153-A157 VanDerWaalsContact O-N 3.08Å; I154-A157 PolarHBondContact O-N 3.15Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 3.3Å; A157-L160 PolarHBondContact O-N 3.28Å; A157-D161 PolarHBondContact O-N 3.08Å |
| 158 | L | 95.1 | Very high | 93.8 | Very high | 33 Ų | 33 | 59.3 Ų | 59.3 | 17% | 0.173 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.6 | -37.2 | 179.4 | -67 | 174.7 | 0 | 0 | 0 | 112.6 | L113 I154 I156 K162 I163 I164 | L113-L158 HydrophobicContact CD1-CD2 3.87Å; I154-L158 HydrophobicContact CG2-CD1 3.75Å; I154-L158 HydrophobicContact CG2-CG 4.34Å; I154-L158 VanDerWaalsContact O-CG 3.31Å; I154-L158 WeakPolarHBondContact O-CG 3.48Å; I154-L158 PolarHBondContact O-N 3.32Å; I156-L158 PolarHBondContact O-N 2.71Å; L158-K162 PolarHBondContact O-N 2.85Å; L158-I163 HydrophobicContact CD2-CB 4.39Å; L158-I163 HydrophobicContact CD2-CD1 3.82Å; L158-I163 HydrophobicContact CD2-CG2 4.33Å; L158-I163 PolarHBondContact O-N 2.98Å; L158-I164 HydrophobicContact CB-CB 4.49Å; L158-I164 HydrophobicContact CB-CD1 3.81Å; L158-I164 HydrophobicContact CB-CG1 4.1Å; L158-I164 HydrophobicContact CD1-CD1 3.6Å; L158-I164 HydrophobicContact CG-CD1 4.33Å; L158-I164 PolarHBondContact O-N 3.34Å |
| 159 | R | 94.9 | Very high | 94 | Very high | 51 Ų | 51 | 60 Ų | 60 | 19% | 0.192 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.6 | -45.7 | 176.3 | 176.8 | 59 | 175.1 | 176.9 | -8 | 111.3 | F155 I156 A157 D161 K162 I164 H165 W166 W168 V171 | F155-R159 WeakPolarHBondContact O-CB 3.41Å; F155-R159 PolarHBondContact O-N 3.06Å; I156-R159 PolarHBondContact O-N 2.92Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 3.3Å; R159-D161 VanDerWaalsContact C-N 3.28Å; R159-D161 PolarHBondContact O-N 3.49Å; R159-K162 WeakPolarHBondContact O-CA 3.42Å; R159-K162 PolarHBondContact O-N 3.2Å; R159-I164 VanDerWaalsContact CD-O 3.29Å; R159-I164 WeakPolarHBondContact CD-O 3.46Å; R159-I164 PolarHBondContact NH1-O 2.98Å; R159-H165 PolarHBondContact NH1-O 3.35Å; R159-W166 PolarHBondContact NE-O 3.38Å; R159-W166 PolarHBondContact NH1-O 2.96Å; R159-W166 PolarHBondContact NH2-O 3.12Å; R159-W168 HydrophobicContact CB-CH2 4.49Å; R159-W168 HydrophobicContact CG-CD2 4.29Å; R159-W168 HydrophobicContact CG-CE3 4.22Å; R159-W168 HydrophobicContact CG-CH2 3.73Å; R159-W168 HydrophobicContact CG-CZ2 3.8Å; R159-W168 HydrophobicContact CG-CZ3 3.95Å; R159-V171 HydrophobicContact CB-CG1 4.41Å; R159-V171 HydrophobicContact CB-CG2 4Å; R159-V171 HydrophobicContact CG-CG2 4.03Å |
| 160 | L | 93.1 | Very high | 94.1 | Very high | 54 Ų | 54 | 62.1 Ų | 62.1 | 28% | 0.283 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.4 | -32.2 | 179.6 | -72.3 | 174.2 | 0 | 0 | 0 | 112.3 | W112 F116 I156 A157 K162 W168 | W112-L160 HydrophobicContact CB-CB 3.89Å; W112-L160 VanDerWaalsContact CD1-C 3.44Å; W112-L160 VanDerWaalsContact CD1-CB 3.43Å; W112-L160 HydrophobicContact CD2-CB 3.81Å; W112-L160 HydrophobicContact CD2-CD1 3.72Å; W112-L160 HydrophobicContact CD2-CG 4.34Å; W112-L160 HydrophobicContact CE3-CD1 3.72Å; W112-L160 HydrophobicContact CG-CB 3.44Å; W112-L160 VanDerWaalsContact CG-CB 3.44Å; W112-L160 HydrophobicContact CG-CD1 4.16Å; W112-L160 HydrophobicContact CG-CG 4.43Å; W112-L160 HydrophobicContact CH2-CD1 4.39Å; W112-L160 HydrophobicContact CZ2-CD1 4.4Å; W112-L160 HydrophobicContact CZ3-CD1 4.07Å; F116-L160 HydrophobicContact CE2-CD1 4.02Å; F116-L160 HydrophobicContact CZ-CD1 4.37Å; I156-L160 HydrophobicContact CG2-CD1 3.56Å; I156-L160 HydrophobicContact CG2-CG 4.1Å; I156-L160 WeakPolarHBondContact O-CB 3.31Å; I156-L160 VanDerWaalsContact O-CG 3.24Å; I156-L160 WeakPolarHBondContact O-CG 3.26Å; I156-L160 PolarHBondContact O-N 3.09Å; A157-L160 PolarHBondContact O-N 3.28Å; L160-K162 PolarHBondContact O-N 3.41Å; L160-W168 HydrophobicContact CD2-CH2 3.77Å; L160-W168 HydrophobicContact CD2-CZ2 4.32Å; L160-W168 HydrophobicContact CG-CH2 4.17Å |
| 161 | D | 94.1 | Very high | 94.2 | Very high | 30 Ų | 30 | 59 Ų | 59 | 16% | 0.16 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 1.3 | 171.5 | -81.4 | -24.7 | 0 | 0 | 0 | 114.1 | W112 L113 A157 R159 I163 | W112-D161 WeakPolarHBondContact CB-OD1 3.47Å; W112-D161 VanDerWaalsContact CD1-OD1 3.3Å; W112-D161 VanDerWaalsContact N-CG 3.3Å; W112-D161 PolarHBondContact N-OD1 3.12Å; W112-D161 PolarHBondContact N-OD2 3.32Å; W112-D161 VanDerWaalsContact N-OD2 3.13Å; L113-D161 WeakPolarHBondContact CB-OD2 3.35Å; L113-D161 PolarHBondContact N-OD2 3.14Å; A157-D161 PolarHBondContact O-N 3.08Å; R159-D161 VanDerWaalsContact C-N 3.28Å; R159-D161 PolarHBondContact O-N 3.49Å; D161-I163 HydrophobicContact CB-CD1 3.9Å; D161-I163 HydrophobicContact CB-CG1 3.99Å; D161-I163 PolarHBondContact O-N 3.11Å; D161-I163 VanDerWaalsContact O-N 3.15Å |
| 162 | K | 93.1 | Very high | 94.3 | Very high | 161 Ų | 161 | 55.7 Ų | 55.7 | 70% | 0.7 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 22.6 | -177.6 | -53.7 | 177.9 | -179.5 | 176.4 | 0 | 113.9 | L158 R159 L160 I164 H165 | L158-K162 PolarHBondContact O-N 2.85Å; R159-K162 WeakPolarHBondContact O-CA 3.42Å; R159-K162 PolarHBondContact O-N 3.2Å; L160-K162 PolarHBondContact O-N 3.41Å; K162-I164 VanDerWaalsContact C-N 3.35Å; K162-H165 PolarHBondContact O-CE1 3.46Å |
| 163 | I | 94.3 | Very high | 94.2 | Very high | 105 Ų | 105 | 58.5 Ų | 58.5 | 54% | 0.538 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -72.5 | -37.2 | 172.7 | -62.7 | 168.4 | 0 | 0 | 0 | 109.4 | L158 D161 | L158-I163 HydrophobicContact CD2-CB 4.39Å; L158-I163 HydrophobicContact CD2-CD1 3.82Å; L158-I163 HydrophobicContact CD2-CG2 4.33Å; L158-I163 PolarHBondContact O-N 2.98Å; D161-I163 HydrophobicContact CB-CD1 3.9Å; D161-I163 HydrophobicContact CB-CG1 3.99Å; D161-I163 PolarHBondContact O-N 3.11Å; D161-I163 VanDerWaalsContact O-N 3.15Å |
| 164 | I | 94.7 | Very high | 94.1 | Very high | 28 Ų | 28 | 57.6 Ų | 57.6 | 14% | 0.144 | 28% | 0.284 | C | S | . | . | trans | -112.1 | 128 | 178 | -67.2 | 179.4 | 0 | 0 | 0 | 110.1 | L158 R159 K162 W166 | L158-I164 HydrophobicContact CB-CB 4.49Å; L158-I164 HydrophobicContact CB-CD1 3.81Å; L158-I164 HydrophobicContact CB-CG1 4.1Å; L158-I164 HydrophobicContact CD1-CD1 3.6Å; L158-I164 HydrophobicContact CG-CD1 4.33Å; L158-I164 PolarHBondContact O-N 3.34Å; R159-I164 VanDerWaalsContact CD-O 3.29Å; R159-I164 WeakPolarHBondContact CD-O 3.46Å; R159-I164 PolarHBondContact NH1-O 2.98Å; K162-I164 VanDerWaalsContact C-N 3.35Å; I164-W166 HydrophobicContact CD1-CH2 4.33Å; I164-W166 HydrophobicContact CD1-CZ3 4.28Å; I164-W166 HydrophobicContact CG2-CB 3.73Å; I164-W166 HydrophobicContact CG2-CD2 3.22Å; I164-W166 HydrophobicContact CG2-CE3 3.62Å; I164-W166 HydrophobicContact CG2-CG 3.28Å; I164-W166 HydrophobicContact CG2-CZ2 4.38Å; I164-W166 HydrophobicContact CG2-CZ3 4.33Å | ||
| 165 | H | 93.1 | Very high | 94 | Very high | 148 Ų | 148 | 57.3 Ų | 57.3 | 69% | 0.685 | 28% | 0.282 | S | S | * | . | trans | -93.4 | 6.9 | -179.2 | -65.2 | -60.9 | 0 | 0 | 0 | 115.1 | R159 K162 | R159-H165 PolarHBondContact NH1-O 3.35Å; K162-H165 PolarHBondContact O-CE1 3.46Å | ||
| 166 | W | 94.4 | Very high | 94 | Very high | 121 Ų | 121 | 58.3 Ų | 58.3 | 46% | 0.458 | 29% | 0.285 | S | S | . | . | trans | -59.7 | 149.6 | -179 | -57.9 | -16.1 | 0 | 0 | 0 | 113.7 | F155 R159 I164 V170 | F155-W166 HydrophobicContact CD1-CZ3 4.43Å; F155-W166 HydrophobicContact CE1-CZ3 4.11Å; F155-W166 HydrophobicContact CZ-CZ3 4.3Å; R159-W166 PolarHBondContact NE-O 3.38Å; R159-W166 PolarHBondContact NH1-O 2.96Å; R159-W166 PolarHBondContact NH2-O 3.12Å; I164-W166 HydrophobicContact CD1-CH2 4.33Å; I164-W166 HydrophobicContact CD1-CZ3 4.28Å; I164-W166 HydrophobicContact CG2-CB 3.73Å; I164-W166 HydrophobicContact CG2-CD2 3.22Å; I164-W166 HydrophobicContact CG2-CE3 3.62Å; I164-W166 HydrophobicContact CG2-CG 3.28Å; I164-W166 HydrophobicContact CG2-CZ2 4.38Å; I164-W166 HydrophobicContact CG2-CZ3 4.33Å; W166-V170 HydrophobicContact CB-CB 4.33Å; W166-V170 HydrophobicContact CB-CG1 4.38Å; W166-V170 HydrophobicContact CD2-CG1 4.25Å; W166-V170 HydrophobicContact CE3-CG1 3.81Å | ||
| 167 | P | 94.2 | Very high | 93.8 | Very high | 61 Ų | 61 | 61.8 Ų | 61.8 | 40% | 0.396 | 30% | 0.303 | S | S | . | . | trans | -61.9 | 151.5 | 172.2 | 28.3 | -35.1 | 0 | 0 | 0 | 111 | L169 V170 V171 D236 | P167-L169 PolarHBondContact O-N 3.29Å; P167-V170 HydrophobicContact CG-CB 4.29Å; P167-V170 HydrophobicContact CG-CG2 3.79Å; P167-V170 PolarHBondContact O-N 2.69Å; P167-V171 PolarHBondContact O-N 3.42Å; P167-D236 WeakPolarHBondContact CA-OD1 3.31Å | ||
| 168 | W | 94.8 | Very high | 93.6 | Very high | 38 Ų | 38 | 64 Ų | 64 | 14% | 0.144 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.7 | -29.3 | 177.9 | -71.4 | 99.4 | 0 | 0 | 0 | 112.2 | R159 L160 V170 V171 C172 V232 L235 D236 | R159-W168 HydrophobicContact CB-CH2 4.49Å; R159-W168 HydrophobicContact CG-CD2 4.29Å; R159-W168 HydrophobicContact CG-CE3 4.22Å; R159-W168 HydrophobicContact CG-CH2 3.73Å; R159-W168 HydrophobicContact CG-CZ2 3.8Å; R159-W168 HydrophobicContact CG-CZ3 3.95Å; L160-W168 HydrophobicContact CD2-CH2 3.77Å; L160-W168 HydrophobicContact CD2-CZ2 4.32Å; L160-W168 HydrophobicContact CG-CH2 4.17Å; W168-V170 PolarHBondContact O-N 3.29Å; W168-V171 HydrophobicContact CE3-CB 4.29Å; W168-V171 HydrophobicContact CE3-CG1 4.02Å; W168-V171 HydrophobicContact CZ3-CG1 4.2Å; W168-V171 PolarHBondContact O-N 3.01Å; W168-C172 WeakPolarHBondContact O-CB 3.44Å; W168-C172 PolarHBondContact O-N 2.95Å; W168-C172 PolarHBondContact O-SG 3.3Å; W168-V232 HydrophobicContact CB-CG1 4.46Å; W168-L235 HydrophobicContact CB-CB 3.94Å; W168-L235 VanDerWaalsContact CD1-CB 3.48Å; W168-L235 HydrophobicContact CD2-CB 3.89Å; W168-L235 HydrophobicContact CD2-CD1 4.01Å; W168-L235 HydrophobicContact CD2-CG 4.46Å; W168-L235 HydrophobicContact CE3-CD1 4.02Å; W168-L235 HydrophobicContact CG-CB 3.5Å; W168-L235 HydrophobicContact CG-CD1 4.3Å; W168-L235 HydrophobicContact CG-CG 4.5Å; W168-L235 PolarHBondContact NE1-O 3.41Å; W168-D236 WeakPolarHBondContact CB-OD1 3.38Å; W168-D236 VanDerWaalsContact CD1-OD1 3.28Å; W168-D236 PolarHBondContact N-OD1 3.14Å; W168-D236 PolarHBondContact N-OD2 3.4Å |
| 169 | L | 93.6 | Very high | 93.5 | Very high | 91 Ų | 91 | 63.2 Ų | 63.2 | 48% | 0.476 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -51.3 | -43.6 | 169.7 | -174.5 | 69 | 0 | 0 | 0 | 112.9 | P167 W176 V232 D236 | P167-L169 PolarHBondContact O-N 3.29Å; L169-W176 HydrophobicContact CD1-CZ2 3.9Å; L169-W176 PolarHBondContact O-NE1 2.94Å; L169-V232 HydrophobicContact CB-CG1 3.97Å; L169-V232 HydrophobicContact CD1-CG1 4.07Å; L169-D236 PolarHBondContact N-OD2 2.93Å |
| 170 | V | 93.6 | Very high | 93.4 | Very high | 58 Ų | 58 | 64.1 Ų | 64.1 | 35% | 0.352 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -77.4 | -37.5 | 179.6 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | W166 P167 W168 C172 V173 | W166-V170 HydrophobicContact CB-CB 4.33Å; W166-V170 HydrophobicContact CB-CG1 4.38Å; W166-V170 HydrophobicContact CD2-CG1 4.25Å; W166-V170 HydrophobicContact CE3-CG1 3.81Å; P167-V170 HydrophobicContact CG-CB 4.29Å; P167-V170 HydrophobicContact CG-CG2 3.79Å; P167-V170 PolarHBondContact O-N 2.69Å; W168-V170 PolarHBondContact O-N 3.29Å; V170-C172 PolarHBondContact O-N 2.88Å; V170-V173 WeakPolarHBondContact O-CB 3.45Å; V170-V173 WeakPolarHBondContact O-CG2 3.15Å; V170-V173 PolarHBondContact O-N 3.32Å |
| 171 | V | 94.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.006 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.7 | -33 | 176.9 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | Q152 F155 I156 R159 P167 W168 | Q152-V171 PolarHBondContact NE2-O 3.46Å; Q152-V171 PolarHBondContact OE1-O 3.04Å; F155-V171 HydrophobicContact CB-CG1 3.9Å; I156-V171 HydrophobicContact CG1-CG1 4.01Å; R159-V171 HydrophobicContact CB-CG1 4.41Å; R159-V171 HydrophobicContact CB-CG2 4Å; R159-V171 HydrophobicContact CG-CG2 4.03Å; P167-V171 PolarHBondContact O-N 3.42Å; W168-V171 HydrophobicContact CE3-CB 4.29Å; W168-V171 HydrophobicContact CE3-CG1 4.02Å; W168-V171 HydrophobicContact CZ3-CG1 4.2Å; W168-V171 PolarHBondContact O-N 3.01Å |
| 172 | C | 93.8 | Very high | 93.3 | Very high | 12 Ų | 12 | 68.5 Ų | 68.5 | 8% | 0.081 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 7 | 178.9 | -64.9 | 0 | 0 | 0 | 0 | 114.9 | W168 V170 L175 W176 V232 | W168-C172 WeakPolarHBondContact O-CB 3.44Å; W168-C172 PolarHBondContact O-N 2.95Å; W168-C172 PolarHBondContact O-SG 3.3Å; V170-C172 PolarHBondContact O-N 2.88Å; C172-L175 WeakPolarHBondContact O-CB 3.22Å; C172-L175 PolarHBondContact O-N 2.92Å; C172-W176 PolarHBondContact O-N 3.33Å; C172-V232 HydrophobicContact CB-CG2 4.06Å |
| 173 | V | 93.1 | Very high | 93.3 | Very high | 64 Ų | 64 | 63.1 Ų | 63.1 | 39% | 0.388 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -48.7 | -46.2 | 179.1 | 167.4 | 0 | 0 | 0 | 0 | 114.1 | V170 L175 W176 I177 | V170-V173 WeakPolarHBondContact O-CB 3.45Å; V170-V173 WeakPolarHBondContact O-CG2 3.15Å; V170-V173 PolarHBondContact O-N 3.32Å; V173-L175 VanDerWaalsContact C-N 3.31Å; V173-L175 PolarHBondContact O-N 3.49Å; V173-W176 WeakPolarHBondContact O-CB 3.29Å; V173-W176 PolarHBondContact O-N 3.19Å; V173-I177 HydrophobicContact CG1-CD1 3.98Å; V173-I177 WeakPolarHBondContact O-CG1 3.48Å; V173-I177 PolarHBondContact O-N 3.41Å |
| 174 | P | 92.3 | Very high | 93.3 | Very high | 15 Ų | 15 | 63.1 Ų | 63.1 | 10% | 0.097 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.6 | -39.8 | 175.4 | -26.2 | 34.6 | 0 | 0 | 0 | 114.2 | L151 Q152 F155 I177 L178 | L151-P174 HydrophobicContact CB-CG 3.98Å; L151-P174 HydrophobicContact CD2-CG 4.1Å; L151-P174 HydrophobicContact CG-CG 4.08Å; Q152-P174 HydrophobicContact CB-CB 4.02Å; Q152-P174 HydrophobicContact CB-CG 4.22Å; Q152-P174 VanDerWaalsContact OE1-CD 3.32Å; F155-P174 HydrophobicContact CD2-CG 4.37Å; F155-P174 HydrophobicContact CE2-CG 4.44Å; P174-I177 PolarHBondContact O-N 3.11Å; P174-L178 PolarHBondContact O-N 2.72Å; P174-L178 VanDerWaalsContact O-N 3.16Å |
| 175 | L | 91.8 | Very high | 93.1 | Very high | 54 Ų | 54 | 63.4 Ų | 63.4 | 28% | 0.283 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -69.1 | -40 | 176.6 | -70.2 | 171.4 | 0 | 0 | 0 | 111.9 | N149 Q152 C172 V173 I177 L178 M179 E228 | N149-L175 WeakPolarHBondContact OD1-CD2 3.47Å; Q152-L175 HydrophobicContact CG-CD1 3.95Å; Q152-L175 HydrophobicContact CG-CG 3.91Å; C172-L175 WeakPolarHBondContact O-CB 3.22Å; C172-L175 PolarHBondContact O-N 2.92Å; V173-L175 VanDerWaalsContact C-N 3.31Å; V173-L175 PolarHBondContact O-N 3.49Å; L175-I177 VanDerWaalsContact C-N 3.26Å; L175-I177 PolarHBondContact O-N 2.92Å; L175-L178 WeakPolarHBondContact O-CB 3.46Å; L175-L178 PolarHBondContact O-N 2.98Å; L175-L178 VanDerWaalsContact O-N 3.08Å; L175-M179 PolarHBondContact O-N 2.94Å; L175-E228 WeakPolarHBondContact CB-OE1 3.25Å |
| 176 | W | 94.2 | Very high | 93 | Very high | 59 Ų | 59 | 56.7 Ų | 56.7 | 22% | 0.223 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58 | -39.7 | 173.6 | -66.4 | 121.2 | 0 | 0 | 0 | 112.5 | L169 C172 V173 M179 S180 L225 E228 I229 V232 | L169-W176 HydrophobicContact CD1-CZ2 3.9Å; L169-W176 PolarHBondContact O-NE1 2.94Å; C172-W176 PolarHBondContact O-N 3.33Å; V173-W176 WeakPolarHBondContact O-CB 3.29Å; V173-W176 PolarHBondContact O-N 3.19Å; W176-M179 PolarHBondContact O-N 2.92Å; W176-S180 VanDerWaalsContact O-CB 3.25Å; W176-S180 WeakPolarHBondContact O-CB 3.47Å; W176-S180 PolarHBondContact O-N 2.9Å; W176-L225 HydrophobicContact CE3-CD1 4.29Å; W176-L225 HydrophobicContact CZ3-CD1 3.88Å; W176-E228 HydrophobicContact CE3-CG 4.37Å; W176-E228 HydrophobicContact CH2-CB 4.45Å; W176-E228 HydrophobicContact CH2-CG 3.87Å; W176-E228 HydrophobicContact CZ2-CG 4.13Å; W176-E228 HydrophobicContact CZ3-CB 4.47Å; W176-E228 HydrophobicContact CZ3-CG 4Å; W176-E228 PolarHBondContact N-OE1 3.4Å; W176-I229 HydrophobicContact CH2-CB 4.28Å; W176-I229 HydrophobicContact CH2-CG1 3.53Å; W176-I229 HydrophobicContact CZ3-CG1 3.76Å; W176-V232 HydrophobicContact CZ2-CB 4.25Å; W176-V232 HydrophobicContact CZ2-CG1 4.4Å; W176-V232 HydrophobicContact CZ2-CG2 3.89Å |
| 177 | I | 92.3 | Very high | 92.9 | Very high | 114 Ų | 114 | 55.6 Ų | 55.6 | 59% | 0.585 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -64.5 | -44.3 | 176.3 | -66.1 | 165.2 | 0 | 0 | 0 | 110.3 | V173 P174 L175 S180 F181 | V173-I177 HydrophobicContact CG1-CD1 3.98Å; V173-I177 WeakPolarHBondContact O-CG1 3.48Å; V173-I177 PolarHBondContact O-N 3.41Å; P174-I177 PolarHBondContact O-N 3.11Å; L175-I177 VanDerWaalsContact C-N 3.26Å; L175-I177 PolarHBondContact O-N 2.92Å; I177-S180 WeakPolarHBondContact O-CB 3.39Å; I177-S180 PolarHBondContact O-N 3.39Å; I177-F181 PolarHBondContact O-N 2.94Å |
| 178 | L | 91.1 | Very high | 92.8 | Very high | 45 Ų | 45 | 58.7 Ų | 58.7 | 24% | 0.236 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.7 | -47.3 | 176.6 | 179.8 | 64.5 | 0 | 0 | 0 | 111.5 | L145 P174 L175 S180 F181 L182 | L145-L178 HydrophobicContact CD2-CD2 4.21Å; P174-L178 PolarHBondContact O-N 2.72Å; P174-L178 VanDerWaalsContact O-N 3.16Å; L175-L178 WeakPolarHBondContact O-CB 3.46Å; L175-L178 PolarHBondContact O-N 2.98Å; L175-L178 VanDerWaalsContact O-N 3.08Å; L178-S180 VanDerWaalsContact C-N 3.32Å; L178-S180 PolarHBondContact O-N 3.18Å; L178-F181 WeakPolarHBondContact O-CB 3.46Å; L178-F181 PolarHBondContact O-N 3.44Å; L178-L182 HydrophobicContact CG-CD1 4.5Å; L178-L182 WeakPolarHBondContact O-CG 3.48Å; L178-L182 PolarHBondContact O-N 3.11Å |
| 179 | M | 92.2 | Very high | 92.5 | Very high | 17 Ų | 17 | 60.2 Ų | 60.2 | 8% | 0.084 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.7 | -35.4 | 178.6 | -71.3 | -54.9 | -69.3 | 0 | 0 | 112.2 | L175 W176 F181 L182 C183 V221 L224 L225 E228 | L175-M179 PolarHBondContact O-N 2.94Å; W176-M179 PolarHBondContact O-N 2.92Å; M179-F181 PolarHBondContact O-N 3.38Å; M179-L182 PolarHBondContact O-N 2.9Å; M179-L182 HydrophobicContact SD-CD1 3.72Å; M179-C183 PolarHBondContact O-N 3.22Å; M179-C183 PolarHBondContact O-SG 3.37Å; M179-V221 HydrophobicContact CE-CG1 4.12Å; M179-L224 HydrophobicContact CE-CB 3.58Å; M179-L224 HydrophobicContact SD-CB 4.45Å; M179-L225 HydrophobicContact CB-CD1 4.12Å; M179-L225 HydrophobicContact CE-CB 3.79Å; M179-L225 VanDerWaalsContact CE-N 3.33Å; M179-E228 WeakPolarHBondContact CG-OE2 3.38Å |
| 180 | S | 93.4 | Very high | 92.3 | Very high | 71 Ų | 71 | 58.8 Ų | 58.8 | 50% | 0.497 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.7 | -44.8 | 172 | -176.6 | 0 | 0 | 0 | 0 | 111.8 | W176 I177 L178 L182 C183 L184 | W176-S180 VanDerWaalsContact O-CB 3.25Å; W176-S180 WeakPolarHBondContact O-CB 3.47Å; W176-S180 PolarHBondContact O-N 2.9Å; I177-S180 WeakPolarHBondContact O-CB 3.39Å; I177-S180 PolarHBondContact O-N 3.39Å; L178-S180 VanDerWaalsContact C-N 3.32Å; L178-S180 PolarHBondContact O-N 3.18Å; S180-L182 PolarHBondContact O-N 2.9Å; S180-C183 WeakPolarHBondContact O-CB 3.13Å; S180-C183 PolarHBondContact O-N 2.96Å; S180-L184 WeakPolarHBondContact O-CG 3.48Å; S180-L184 PolarHBondContact O-N 3.36Å |
| 181 | F | 92.4 | Very high | 92.2 | Very high | 133 Ų | 133 | 59.6 Ų | 59.6 | 58% | 0.583 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62.5 | -42.9 | 174.7 | -176.8 | -96.5 | 0 | 0 | 0 | 112.1 | I177 L178 M179 C183 L184 V185 | I177-F181 PolarHBondContact O-N 2.94Å; L178-F181 WeakPolarHBondContact O-CB 3.46Å; L178-F181 PolarHBondContact O-N 3.44Å; M179-F181 PolarHBondContact O-N 3.38Å; F181-C183 VanDerWaalsContact C-N 3.32Å; F181-C183 PolarHBondContact O-N 3.16Å; F181-L184 WeakPolarHBondContact O-CB 3.14Å; F181-L184 PolarHBondContact O-N 2.83Å; F181-L184 VanDerWaalsContact O-N 3.16Å; F181-V185 HydrophobicContact CD1-CG2 4.21Å; F181-V185 HydrophobicContact CE1-CG2 3.83Å; F181-V185 HydrophobicContact CZ-CG2 4.24Å; F181-V185 WeakPolarHBondContact O-CG2 3.42Å; F181-V185 PolarHBondContact O-N 2.96Å |
| 182 | L | 91.6 | Very high | 91.8 | Very high | 43 Ų | 43 | 64.3 Ų | 64.3 | 23% | 0.225 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.1 | -39.2 | 175.8 | -69.1 | 174.4 | 0 | 0 | 0 | 112.1 | L178 M179 S180 L184 V185 V186 V221 | L178-L182 HydrophobicContact CG-CD1 4.5Å; L178-L182 WeakPolarHBondContact O-CG 3.48Å; L178-L182 PolarHBondContact O-N 3.11Å; M179-L182 PolarHBondContact O-N 2.9Å; M179-L182 HydrophobicContact SD-CD1 3.72Å; S180-L182 PolarHBondContact O-N 2.9Å; L182-L184 VanDerWaalsContact C-N 3.33Å; L182-L184 PolarHBondContact O-N 3.41Å; L182-V185 WeakPolarHBondContact O-CB 3.38Å; L182-V185 PolarHBondContact O-N 2.76Å; L182-V186 WeakPolarHBondContact O-CG2 3.26Å; L182-V186 PolarHBondContact O-N 3.01Å; L182-V221 HydrophobicContact CB-CG1 3.96Å; L182-V221 HydrophobicContact CB-CG2 4.13Å |
| 183 | C | 93.3 | Very high | 91.4 | Very high | 48 Ų | 48 | 64.5 Ų | 64.5 | 32% | 0.324 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.5 | -39.3 | 173.6 | -73.2 | 0 | 0 | 0 | 0 | 112.3 | M179 S180 F181 V186 L187 | M179-C183 PolarHBondContact O-N 3.22Å; M179-C183 PolarHBondContact O-SG 3.37Å; S180-C183 WeakPolarHBondContact O-CB 3.13Å; S180-C183 PolarHBondContact O-N 2.96Å; F181-C183 VanDerWaalsContact C-N 3.32Å; F181-C183 PolarHBondContact O-N 3.16Å; C183-V186 PolarHBondContact O-N 3.38Å; C183-L187 WeakPolarHBondContact O-CB 3.09Å; C183-L187 PolarHBondContact O-N 3.23Å |
| 184 | L | 93.8 | Very high | 91.1 | Very high | 104 Ų | 104 | 65.6 Ų | 65.6 | 55% | 0.545 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64 | -39.9 | 174.2 | -68.2 | 174.2 | 0 | 0 | 0 | 112 | S180 F181 L182 V186 L187 Y188 | S180-L184 WeakPolarHBondContact O-CG 3.48Å; S180-L184 PolarHBondContact O-N 3.36Å; F181-L184 WeakPolarHBondContact O-CB 3.14Å; F181-L184 PolarHBondContact O-N 2.83Å; F181-L184 VanDerWaalsContact O-N 3.16Å; L182-L184 VanDerWaalsContact C-N 3.33Å; L182-L184 PolarHBondContact O-N 3.41Å; L184-V186 VanDerWaalsContact C-N 3.35Å; L184-L187 PolarHBondContact O-N 3.46Å; L184-Y188 WeakPolarHBondContact O-CB 3.35Å; L184-Y188 PolarHBondContact O-N 3.34Å |
| 185 | V | 90.4 | Very high | 90.8 | Very high | 35 Ų | 35 | 69.6 Ų | 69.6 | 21% | 0.212 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 174.6 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | F181 L182 Y188 Y189 | F181-V185 HydrophobicContact CD1-CG2 4.21Å; F181-V185 HydrophobicContact CE1-CG2 3.83Å; F181-V185 HydrophobicContact CZ-CG2 4.24Å; F181-V185 WeakPolarHBondContact O-CG2 3.42Å; F181-V185 PolarHBondContact O-N 2.96Å; L182-V185 WeakPolarHBondContact O-CB 3.38Å; L182-V185 PolarHBondContact O-N 2.76Å; V185-Y188 WeakPolarHBondContact O-CB 3.4Å; V185-Y188 PolarHBondContact O-N 3.16Å; V185-Y189 HydrophobicContact CG1-CD2 3.78Å; V185-Y189 HydrophobicContact CG1-CE2 3.44Å; V185-Y189 VanDerWaalsContact CG1-CE2 3.44Å; V185-Y189 WeakPolarHBondContact O-CD2 3.44Å; V185-Y189 PolarHBondContact O-N 3.42Å |
| 186 | V | 92.2 | Very high | 90.3 | Very high | 6 Ų | 6 | 68.7 Ų | 68.7 | 4% | 0.036 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 175.9 | 178.7 | 0 | 0 | 0 | 0 | 111.2 | L182 C183 L184 Y188 Y189 I190 W217 M218 V221 | L182-V186 WeakPolarHBondContact O-CG2 3.26Å; L182-V186 PolarHBondContact O-N 3.01Å; C183-V186 PolarHBondContact O-N 3.38Å; L184-V186 VanDerWaalsContact C-N 3.35Å; V186-Y188 VanDerWaalsContact C-N 3.29Å; V186-Y188 PolarHBondContact O-N 3.42Å; V186-Y189 PolarHBondContact O-N 3.09Å; V186-Y189 VanDerWaalsContact O-N 3.14Å; V186-I190 HydrophobicContact CG1-CD1 4.05Å; V186-I190 HydrophobicContact CG1-CG1 4.49Å; V186-I190 WeakPolarHBondContact O-CG1 3.25Å; V186-I190 PolarHBondContact O-N 2.89Å; V186-W217 HydrophobicContact CG2-CB 4.03Å; V186-M218 HydrophobicContact CG1-CB 4.47Å; V186-M218 HydrophobicContact CG1-CG 3.57Å; V186-M218 HydrophobicContact CG1-SD 3.24Å; V186-M218 WeakPolarHBondContact CG1-SD 3.33Å; V186-V221 HydrophobicContact CG2-CB 3.68Å; V186-V221 HydrophobicContact CG2-CG1 4.05Å; V186-V221 HydrophobicContact CG2-CG2 3.54Å |
| 187 | L | 92.6 | Very high | 89.6 | Confident | 98 Ų | 98 | 71.2 Ų | 71.2 | 51% | 0.513 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.9 | -43 | 176.2 | -174.6 | 69 | 0 | 0 | 0 | 111.4 | C183 L184 Y189 I190 V191 | C183-L187 WeakPolarHBondContact O-CB 3.09Å; C183-L187 PolarHBondContact O-N 3.23Å; L184-L187 PolarHBondContact O-N 3.46Å; L187-Y189 PolarHBondContact O-N 3.03Å; L187-I190 PolarHBondContact O-N 3.23Å; L187-V191 WeakPolarHBondContact O-CG2 3.43Å; L187-V191 PolarHBondContact O-N 3.18Å |
| 188 | Y | 91.6 | Very high | 89 | Confident | 127 Ų | 127 | 76 Ų | 76 | 50% | 0.498 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -56.5 | -48.6 | 173.9 | 167.9 | -88.7 | 0 | 0 | 0 | 111.5 | L184 V185 V186 I190 V191 W192 | L184-Y188 WeakPolarHBondContact O-CB 3.35Å; L184-Y188 PolarHBondContact O-N 3.34Å; V185-Y188 WeakPolarHBondContact O-CB 3.4Å; V185-Y188 PolarHBondContact O-N 3.16Å; V186-Y188 VanDerWaalsContact C-N 3.29Å; V186-Y188 PolarHBondContact O-N 3.42Å; Y188-I190 VanDerWaalsContact C-N 3.34Å; Y188-I190 PolarHBondContact O-N 2.95Å; Y188-V191 PolarHBondContact O-N 3.14Å; Y188-W192 AromaticContact CD1-CD1 3.84Å; Y188-W192 AromaticContact CD2-CD1 3.62Å; Y188-W192 AromaticContact CD2-NE1 3.64Å; Y188-W192 AromaticContact CE1-CD1 3.49Å; Y188-W192 VanDerWaalsContact CE1-CD1 3.49Å; Y188-W192 HydrophobicContact CE1-CG 4.44Å; Y188-W192 AromaticContact CE1-NE1 3.83Å; Y188-W192 AromaticContact CE2-CD1 3.3Å; Y188-W192 AromaticContact CE2-NE1 2.93Å; Y188-W192 AromaticContact CG-CD1 3.88Å; Y188-W192 AromaticContact CZ-CD1 3.21Å; Y188-W192 AromaticContact CZ-NE1 3.03Å; Y188-W192 VanDerWaalsContact O-CD1 3.29Å; Y188-W192 PolarHBondContact O-N 3.28Å; Y188-W192 PolarHBondContact OH-NE1 3.28Å; Y188-W192 VanDerWaalsContact OH-NE1 3.16Å |
| 189 | Y | 88.9 | Confident | 88.4 | Confident | 70 Ų | 70 | 75.9 Ų | 75.9 | 28% | 0.275 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.8 | -36.7 | 178.1 | -77.1 | -63.1 | 0 | 0 | 0 | 113 | V185 V186 L187 S193 W217 | V185-Y189 HydrophobicContact CG1-CD2 3.78Å; V185-Y189 HydrophobicContact CG1-CE2 3.44Å; V185-Y189 VanDerWaalsContact CG1-CE2 3.44Å; V185-Y189 WeakPolarHBondContact O-CD2 3.44Å; V185-Y189 PolarHBondContact O-N 3.42Å; V186-Y189 PolarHBondContact O-N 3.09Å; V186-Y189 VanDerWaalsContact O-N 3.14Å; L187-Y189 PolarHBondContact O-N 3.03Å; Y189-S193 VanDerWaalsContact O-CB 3.23Å; Y189-S193 WeakPolarHBondContact O-CB 3.24Å; Y189-S193 PolarHBondContact O-N 2.92Å; Y189-W217 HydrophobicContact CD2-CB 4.47Å; Y189-W217 AromaticContact CD2-CD1 3.62Å; Y189-W217 AromaticContact CD2-CG 3.98Å; Y189-W217 HydrophobicContact CD2-CG 3.98Å; Y189-W217 AromaticContact CE2-CD1 3.6Å; Y189-W217 HydrophobicContact CE2-CD2 4.29Å; Y189-W217 AromaticContact CE2-CE2 3.93Å; Y189-W217 HydrophobicContact CE2-CG 4.13Å; Y189-W217 AromaticContact CE2-NE1 3.49Å; Y189-W217 AromaticContact CZ-NE1 3.85Å |
| 190 | I | 89.5 | Confident | 86.9 | Confident | 61 Ų | 61 | 83.7 Ų | 83.7 | 31% | 0.313 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.7 | -49.5 | 174.9 | -66.9 | 167.2 | 0 | 0 | 0 | 110.4 | V186 L187 Y188 W192 S193 V194 M218 | V186-I190 HydrophobicContact CG1-CD1 4.05Å; V186-I190 HydrophobicContact CG1-CG1 4.49Å; V186-I190 WeakPolarHBondContact O-CG1 3.25Å; V186-I190 PolarHBondContact O-N 2.89Å; L187-I190 PolarHBondContact O-N 3.23Å; Y188-I190 VanDerWaalsContact C-N 3.34Å; Y188-I190 PolarHBondContact O-N 2.95Å; I190-W192 VanDerWaalsContact C-N 3.33Å; I190-W192 PolarHBondContact O-N 3.33Å; I190-S193 WeakPolarHBondContact O-CB 3.33Å; I190-S193 PolarHBondContact O-N 3.04Å; I190-V194 HydrophobicContact CG2-CG2 4.49Å; I190-V194 WeakPolarHBondContact O-CG2 3.48Å; I190-V194 PolarHBondContact O-N 2.89Å; I190-M218 HydrophobicContact CD1-CE 4.41Å; I190-M218 HydrophobicContact CD1-CG 4.1Å; I190-M218 HydrophobicContact CD1-SD 3.69Å; I190-M218 HydrophobicContact CG1-CG 4.41Å |
| 191 | V | 90.3 | Very high | 85.5 | Confident | 74 Ų | 74 | 88.1 Ų | 88.1 | 45% | 0.448 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -58.8 | -47 | 179.5 | 171.3 | 0 | 0 | 0 | 0 | 110.3 | L187 Y188 S193 V194 L195 | L187-V191 WeakPolarHBondContact O-CG2 3.43Å; L187-V191 PolarHBondContact O-N 3.18Å; Y188-V191 PolarHBondContact O-N 3.14Å; V191-S193 PolarHBondContact O-N 2.98Å; V191-V194 PolarHBondContact O-N 3.1Å; V191-L195 HydrophobicContact CG1-CD1 4.02Å; V191-L195 HydrophobicContact CG1-CG 4.41Å; V191-L195 WeakPolarHBondContact O-CG 3.3Å; V191-L195 PolarHBondContact O-N 3.45Å |
| 192 | W | 86.4 | Confident | 84.2 | Confident | 101 Ų | 101 | 83.4 Ų | 83.4 | 38% | 0.383 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 175.6 | -88 | 103.9 | 0 | 0 | 0 | 112.8 | Y188 I190 V194 L195 F196 | Y188-W192 AromaticContact CD1-CD1 3.84Å; Y188-W192 AromaticContact CD2-CD1 3.62Å; Y188-W192 AromaticContact CD2-NE1 3.64Å; Y188-W192 AromaticContact CE1-CD1 3.49Å; Y188-W192 VanDerWaalsContact CE1-CD1 3.49Å; Y188-W192 HydrophobicContact CE1-CG 4.44Å; Y188-W192 AromaticContact CE1-NE1 3.83Å; Y188-W192 AromaticContact CE2-CD1 3.3Å; Y188-W192 AromaticContact CE2-NE1 2.93Å; Y188-W192 AromaticContact CG-CD1 3.88Å; Y188-W192 AromaticContact CZ-CD1 3.21Å; Y188-W192 AromaticContact CZ-NE1 3.03Å; Y188-W192 VanDerWaalsContact O-CD1 3.29Å; Y188-W192 PolarHBondContact O-N 3.28Å; Y188-W192 PolarHBondContact OH-NE1 3.28Å; Y188-W192 VanDerWaalsContact OH-NE1 3.16Å; I190-W192 VanDerWaalsContact C-N 3.33Å; I190-W192 PolarHBondContact O-N 3.33Å; W192-V194 VanDerWaalsContact C-N 3.29Å; W192-V194 PolarHBondContact O-N 3.46Å; W192-L195 PolarHBondContact O-N 3.18Å; W192-F196 HydrophobicContact CD2-CE2 4.33Å; W192-F196 AromaticContact CE3-CD2 3.75Å; W192-F196 HydrophobicContact CE3-CD2 3.75Å; W192-F196 AromaticContact CE3-CE2 3.27Å; W192-F196 HydrophobicContact CE3-CE2 3.27Å; W192-F196 HydrophobicContact CE3-CZ 4.13Å; W192-F196 HydrophobicContact CZ3-CD2 4.39Å; W192-F196 AromaticContact CZ3-CE2 3.6Å; W192-F196 HydrophobicContact CZ3-CE2 3.6Å; W192-F196 AromaticContact CZ3-CZ 4Å; W192-F196 HydrophobicContact CZ3-CZ 4Å; W192-F196 WeakPolarHBondContact O-CB 3.41Å; W192-F196 VanDerWaalsContact O-CD2 3.25Å; W192-F196 WeakPolarHBondContact O-CD2 3.44Å; W192-F196 PolarHBondContact O-N 3.27Å |
| 193 | S | 86.6 | Confident | 83.3 | Confident | 16 Ų | 16 | 86.7 Ų | 86.7 | 11% | 0.112 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -59.1 | -40.4 | 176.4 | -177.2 | 0 | 0 | 0 | 0 | 112 | Y189 I190 V191 L197 I211 | Y189-S193 VanDerWaalsContact O-CB 3.23Å; Y189-S193 WeakPolarHBondContact O-CB 3.24Å; Y189-S193 PolarHBondContact O-N 2.92Å; I190-S193 WeakPolarHBondContact O-CB 3.33Å; I190-S193 PolarHBondContact O-N 3.04Å; V191-S193 PolarHBondContact O-N 2.98Å; S193-L197 WeakPolarHBondContact O-CB 3.39Å; S193-L197 PolarHBondContact O-N 3.42Å; S193-I211 WeakPolarHBondContact OG-CA 3.24Å; S193-I211 WeakPolarHBondContact OG-CG1 3.16Å |
| 194 | V | 86.3 | Confident | 82.3 | Confident | 87 Ų | 87 | 86.7 Ų | 86.7 | 53% | 0.527 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -69.8 | -41.9 | 177.2 | 172.9 | 0 | 0 | 0 | 0 | 111.6 | I190 V191 W192 F196 L197 R198 | I190-V194 HydrophobicContact CG2-CG2 4.49Å; I190-V194 WeakPolarHBondContact O-CG2 3.48Å; I190-V194 PolarHBondContact O-N 2.89Å; V191-V194 PolarHBondContact O-N 3.1Å; W192-V194 VanDerWaalsContact C-N 3.29Å; W192-V194 PolarHBondContact O-N 3.46Å; V194-F196 PolarHBondContact O-N 3.35Å; V194-L197 WeakPolarHBondContact O-CB 3.4Å; V194-L197 PolarHBondContact O-N 3.34Å; V194-R198 PolarHBondContact O-N 3.46Å; V194-R198 VanDerWaalsContact O-N 3.12Å |
| 195 | L | 86.1 | Confident | 81.4 | Confident | 98 Ų | 98 | 89 Ų | 89 | 51% | 0.513 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60.6 | -45.9 | 176.6 | -71.7 | 172.9 | 0 | 0 | 0 | 111.5 | V191 W192 L197 R198 S199 | V191-L195 HydrophobicContact CG1-CD1 4.02Å; V191-L195 HydrophobicContact CG1-CG 4.41Å; V191-L195 WeakPolarHBondContact O-CG 3.3Å; V191-L195 PolarHBondContact O-N 3.45Å; W192-L195 PolarHBondContact O-N 3.18Å; L195-L197 VanDerWaalsContact C-N 3.3Å; L195-L197 PolarHBondContact O-N 3.48Å; L195-R198 PolarHBondContact O-N 2.74Å; L195-R198 VanDerWaalsContact O-N 3.16Å; L195-S199 PolarHBondContact O-N 3.06Å; L195-S199 VanDerWaalsContact O-N 3.1Å |
| 196 | F | 81.1 | Confident | 80.7 | Confident | 36 Ų | 36 | 91.9 Ų | 91.9 | 16% | 0.158 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -68.1 | -27.2 | 176.6 | -84.8 | -67.3 | 0 | 0 | 0 | 113.6 | W192 V194 R198 S199 V202 H210 | W192-F196 HydrophobicContact CD2-CE2 4.33Å; W192-F196 AromaticContact CE3-CD2 3.75Å; W192-F196 HydrophobicContact CE3-CD2 3.75Å; W192-F196 AromaticContact CE3-CE2 3.27Å; W192-F196 HydrophobicContact CE3-CE2 3.27Å; W192-F196 HydrophobicContact CE3-CZ 4.13Å; W192-F196 HydrophobicContact CZ3-CD2 4.39Å; W192-F196 AromaticContact CZ3-CE2 3.6Å; W192-F196 HydrophobicContact CZ3-CE2 3.6Å; W192-F196 AromaticContact CZ3-CZ 4Å; W192-F196 HydrophobicContact CZ3-CZ 4Å; W192-F196 WeakPolarHBondContact O-CB 3.41Å; W192-F196 VanDerWaalsContact O-CD2 3.25Å; W192-F196 WeakPolarHBondContact O-CD2 3.44Å; W192-F196 PolarHBondContact O-N 3.27Å; V194-F196 PolarHBondContact O-N 3.35Å; F196-R198 VanDerWaalsContact C-N 3.31Å; F196-S199 WeakPolarHBondContact CA-OG 3.44Å; F196-S199 PolarHBondContact O-OG 3.19Å; F196-S199 VanDerWaalsContact O-OG 3.04Å; F196-V202 HydrophobicContact CD1-CB 4.38Å; F196-V202 HydrophobicContact CD1-CG1 3.95Å; F196-V202 HydrophobicContact CD1-CG2 3.96Å; F196-V202 HydrophobicContact CE1-CG1 4.25Å; F196-V202 HydrophobicContact CE1-CG2 4.17Å; F196-H210 AromaticContact CD2-CD2 3.8Å; F196-H210 AromaticContact CE2-CD2 3.86Å; F196-H210 AromaticContact CE2-NE2 3.71Å |
| 197 | L | 78.8 | Confident | 79.9 | Confident | 111 Ų | 111 | 95 Ų | 95 | 58% | 0.581 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -69.6 | -32.3 | 172.8 | -173.2 | 63.5 | 0 | 0 | 0 | 111.7 | S193 V194 L195 I211 | S193-L197 WeakPolarHBondContact O-CB 3.39Å; S193-L197 PolarHBondContact O-N 3.42Å; V194-L197 WeakPolarHBondContact O-CB 3.4Å; V194-L197 PolarHBondContact O-N 3.34Å; L195-L197 VanDerWaalsContact C-N 3.3Å; L195-L197 PolarHBondContact O-N 3.48Å; L197-I211 HydrophobicContact CD1-CD1 4.48Å |
| 198 | R | 80.6 | Confident | 79.3 | Confident | 216 Ų | 216 | 98.9 Ų | 98.9 | 82% | 0.815 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -82.4 | -29.2 | -179.4 | -167.4 | 177.4 | -177.7 | -178.1 | 1.1 | 113.4 | V194 L195 F196 M200 | V194-R198 PolarHBondContact O-N 3.46Å; V194-R198 VanDerWaalsContact O-N 3.12Å; L195-R198 PolarHBondContact O-N 2.74Å; L195-R198 VanDerWaalsContact O-N 3.16Å; F196-R198 VanDerWaalsContact C-N 3.31Å; R198-M200 PolarHBondContact O-N 3.45Å |
| 199 | S | 78.1 | Confident | 78.7 | Confident | 41 Ų | 41 | 96.1 Ų | 96.1 | 29% | 0.287 | 47% | 0.471 | S | S | . | . | trans | -71.7 | 109.4 | 175.3 | 57.3 | 0 | 0 | 0 | 0 | 110.7 | L195 F196 D201 V202 | L195-S199 PolarHBondContact O-N 3.06Å; L195-S199 VanDerWaalsContact O-N 3.1Å; F196-S199 WeakPolarHBondContact CA-OG 3.44Å; F196-S199 PolarHBondContact O-OG 3.19Å; F196-S199 VanDerWaalsContact O-OG 3.04Å; S199-D201 PolarHBondContact O-N 2.95Å; S199-V202 VanDerWaalsContact OG-CG2 3.25Å; S199-V202 WeakPolarHBondContact OG-CG2 3.42Å | ||
| 200 | M | 60.4 | Low | 78.4 | Confident | 181 Ų | 181 | 95.2 Ų | 95.2 | 89% | 0.892 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -14.9 | -179.9 | -67.3 | 179.7 | 65.1 | 0 | 0 | 113.6 | R198 | R198-M200 PolarHBondContact O-N 3.45Š|
| 201 | D | 65 | Low | 78.2 | Confident | 164 Ų | 164 | 95.5 Ų | 95.5 | 88% | 0.877 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 2.2 | -174.2 | -60.7 | -45.2 | 0 | 0 | 0 | 114.6 | S199 | S199-D201 PolarHBondContact O-N 2.95Š|
| 202 | V | 64.3 | Low | 78 | Confident | 35 Ų | 35 | 95.5 Ų | 95.5 | 21% | 0.212 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -96 | 131.5 | -174.8 | 179.4 | 0 | 0 | 0 | 0 | 111.5 | F196 S199 A204 Q206 | F196-V202 HydrophobicContact CD1-CB 4.38Å; F196-V202 HydrophobicContact CD1-CG1 3.95Å; F196-V202 HydrophobicContact CD1-CG2 3.96Å; F196-V202 HydrophobicContact CE1-CG1 4.25Å; F196-V202 HydrophobicContact CE1-CG2 4.17Å; S199-V202 VanDerWaalsContact OG-CG2 3.25Å; S199-V202 WeakPolarHBondContact OG-CG2 3.42Å; V202-A204 PolarHBondContact O-N 3.2Å; V202-Q206 HydrophobicContact CG1-CB 4.23Å |
| 203 | I | 72.6 | Confident | 78 | Confident | 112 Ų | 112 | 95 Ų | 95 | 57% | 0.574 | 47% | 0.474 | S | S | * | . | trans | -48 | 127 | 175.9 | -60.1 | 166.3 | 0 | 0 | 0 | 109.7 | E205 Q206 R207 | I203-E205 HydrophobicContact CG2-CB 4.17Å; I203-E205 PolarHBondContact O-N 3.37Å; I203-Q206 PolarHBondContact O-N 3.29Å; I203-Q206 VanDerWaalsContact O-N 3.08Å; I203-R207 PolarHBondContact O-N 3.43Å | ||
| 204 | A | 72.1 | Confident | 78.1 | Confident | 48 Ų | 48 | 94.7 Ų | 94.7 | 40% | 0.397 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -56.7 | -26.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | V202 R208 | V202-A204 PolarHBondContact O-N 3.2Å; A204-R208 WeakPolarHBondContact O-CG 3.38Å; A204-R208 PolarHBondContact O-N 3.35Å |
| 205 | E | 75.3 | Confident | 78.3 | Confident | 151 Ų | 151 | 95.8 Ų | 95.8 | 71% | 0.706 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -71.5 | -41.8 | 178.6 | -167.9 | 167.3 | -163.7 | 0 | 0 | 113 | I203 R207 R208 T209 | I203-E205 HydrophobicContact CG2-CB 4.17Å; I203-E205 PolarHBondContact O-N 3.37Å; E205-R207 PolarHBondContact O-N 2.8Å; E205-R208 PolarHBondContact O-N 3.06Å; E205-T209 PolarHBondContact O-N 3.43Å; E205-T209 VanDerWaalsContact O-N 3.11Å; E205-T209 PolarHBondContact O-OG1 2.66Å |
| 206 | Q | 75.7 | Confident | 78.4 | Confident | 96 Ų | 96 | 92.8 Ų | 92.8 | 45% | 0.449 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -68.3 | -37.2 | 177.5 | -171.5 | 160.4 | -22.6 | 0 | 0 | 111.4 | V202 I203 T209 H210 | V202-Q206 HydrophobicContact CG1-CB 4.23Å; I203-Q206 PolarHBondContact O-N 3.29Å; I203-Q206 VanDerWaalsContact O-N 3.08Å; Q206-T209 WeakPolarHBondContact O-CB 3.32Å; Q206-T209 PolarHBondContact O-N 3.48Å; Q206-H210 PolarHBondContact O-CD2 3.49Å; Q206-H210 PolarHBondContact O-N 3.16Å; Q206-H210 VanDerWaalsContact O-N 3.1Å |
| 207 | R | 75.8 | Confident | 78.9 | Confident | 71 Ų | 71 | 95.1 Ų | 95.1 | 27% | 0.268 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 173.1 | -176.3 | 176.8 | 65.2 | -118.7 | 3.2 | 112.2 | I203 E205 T209 H210 I211 | I203-R207 PolarHBondContact O-N 3.43Å; E205-R207 PolarHBondContact O-N 2.8Å; R207-T209 VanDerWaalsContact C-N 3.27Å; R207-T209 PolarHBondContact O-N 3.06Å; R207-H210 PolarHBondContact O-N 3.41Å; R207-I211 HydrophobicContact CG-CD1 3.92Å; R207-I211 WeakPolarHBondContact O-CG1 3.49Å; R207-I211 PolarHBondContact O-N 2.97Å; R207-I211 VanDerWaalsContact O-N 3.14Å |
| 208 | R | 79.5 | Confident | 79.6 | Confident | 181 Ų | 181 | 93.3 Ų | 93.3 | 68% | 0.683 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -61.2 | -37.5 | 176.3 | -74.4 | 177.6 | -178.4 | -142.6 | 1.5 | 111.8 | A204 E205 T212 | A204-R208 WeakPolarHBondContact O-CG 3.38Å; A204-R208 PolarHBondContact O-N 3.35Å; E205-R208 PolarHBondContact O-N 3.06Å; R208-T212 WeakPolarHBondContact O-CB 3.34Å; R208-T212 VanDerWaalsContact O-CG2 3.3Å; R208-T212 WeakPolarHBondContact O-CG2 2.91Å; R208-T212 PolarHBondContact O-N 3.24Å; R208-T212 PolarHBondContact O-OG1 3.2Å |
| 209 | T | 80.4 | Confident | 80.3 | Confident | 69 Ų | 69 | 85.3 Ų | 85.3 | 42% | 0.423 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.1 | -47.1 | 178.1 | -54.8 | 0 | 0 | 0 | 0 | 111.9 | E205 Q206 R207 I211 T212 M213 | E205-T209 PolarHBondContact O-N 3.43Å; E205-T209 VanDerWaalsContact O-N 3.11Å; E205-T209 PolarHBondContact O-OG1 2.66Å; Q206-T209 WeakPolarHBondContact O-CB 3.32Å; Q206-T209 PolarHBondContact O-N 3.48Å; R207-T209 VanDerWaalsContact C-N 3.27Å; R207-T209 PolarHBondContact O-N 3.06Å; T209-I211 PolarHBondContact O-N 3.46Å; T209-T212 WeakPolarHBondContact CA-OG1 3.47Å; T209-T212 PolarHBondContact O-N 3.31Å; T209-T212 PolarHBondContact O-OG1 3.45Å; T209-M213 WeakPolarHBondContact O-CB 3.46Å; T209-M213 WeakPolarHBondContact O-CG 3.49Å; T209-M213 PolarHBondContact O-N 2.83Å |
| 210 | H | 82.3 | Confident | 81 | Confident | 50 Ų | 50 | 84 Ų | 84 | 23% | 0.231 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -65.1 | -37.6 | 178 | -73.6 | -69.7 | 0 | 0 | 0 | 113.1 | F196 Q206 R207 A214 | F196-H210 AromaticContact CD2-CD2 3.8Å; F196-H210 AromaticContact CE2-CD2 3.86Å; F196-H210 AromaticContact CE2-NE2 3.71Å; Q206-H210 PolarHBondContact O-CD2 3.49Å; Q206-H210 PolarHBondContact O-N 3.16Å; Q206-H210 VanDerWaalsContact O-N 3.1Å; R207-H210 PolarHBondContact O-N 3.41Å; H210-A214 WeakPolarHBondContact O-CB 3.36Å; H210-A214 PolarHBondContact O-N 3.36Å |
| 211 | I | 85.3 | Confident | 82.7 | Confident | 67 Ų | 67 | 75.4 Ų | 75.4 | 34% | 0.344 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.4 | -46.8 | 176 | -67.6 | 165.3 | 0 | 0 | 0 | 111.1 | S193 L197 R207 T209 M213 A214 L215 | S193-I211 WeakPolarHBondContact OG-CA 3.24Å; S193-I211 WeakPolarHBondContact OG-CG1 3.16Å; L197-I211 HydrophobicContact CD1-CD1 4.48Å; R207-I211 HydrophobicContact CG-CD1 3.92Å; R207-I211 WeakPolarHBondContact O-CG1 3.49Å; R207-I211 PolarHBondContact O-N 2.97Å; R207-I211 VanDerWaalsContact O-N 3.14Å; T209-I211 PolarHBondContact O-N 3.46Å; I211-M213 VanDerWaalsContact C-N 3.32Å; I211-M213 PolarHBondContact O-N 3.48Å; I211-A214 PolarHBondContact O-N 3.08Å; I211-L215 WeakPolarHBondContact O-CB 3.37Å; I211-L215 PolarHBondContact O-N 3.07Å |
| 212 | T | 85.8 | Confident | 84.1 | Confident | 74 Ų | 74 | 70.9 Ų | 70.9 | 45% | 0.454 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.9 | -36.9 | 179.4 | 47.3 | 0 | 0 | 0 | 0 | 111.9 | R208 T209 S216 | R208-T212 WeakPolarHBondContact O-CB 3.34Å; R208-T212 VanDerWaalsContact O-CG2 3.3Å; R208-T212 WeakPolarHBondContact O-CG2 2.91Å; R208-T212 PolarHBondContact O-N 3.24Å; R208-T212 PolarHBondContact O-OG1 3.2Å; T209-T212 WeakPolarHBondContact CA-OG1 3.47Å; T209-T212 PolarHBondContact O-N 3.31Å; T209-T212 PolarHBondContact O-OG1 3.45Å; T212-S216 WeakPolarHBondContact O-CB 3.36Å; T212-S216 PolarHBondContact O-N 3Å; T212-S216 PolarHBondContact O-OG 3.46Å |
| 213 | M | 85.1 | Confident | 85.6 | Confident | 92 Ų | 92 | 69.9 Ų | 69.9 | 45% | 0.453 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.3 | -48.1 | 172.6 | -70.1 | -65.4 | 172.3 | 0 | 0 | 111.8 | T209 I211 L215 S216 W217 | T209-M213 WeakPolarHBondContact O-CB 3.46Å; T209-M213 WeakPolarHBondContact O-CG 3.49Å; T209-M213 PolarHBondContact O-N 2.83Å; I211-M213 VanDerWaalsContact C-N 3.32Å; I211-M213 PolarHBondContact O-N 3.48Å; M213-L215 VanDerWaalsContact C-N 3.32Å; M213-L215 PolarHBondContact O-N 3.37Å; M213-S216 PolarHBondContact O-N 3.25Å; M213-W217 PolarHBondContact O-N 2.95Å |
| 214 | A | 89.3 | Confident | 86.7 | Confident | 8 Ų | 8 | 66.5 Ų | 66.5 | 7% | 0.066 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.5 | -42.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | H210 I211 W217 M218 | H210-A214 WeakPolarHBondContact O-CB 3.36Å; H210-A214 PolarHBondContact O-N 3.36Å; I211-A214 PolarHBondContact O-N 3.08Å; A214-W217 PolarHBondContact O-N 3.25Å; A214-M218 WeakPolarHBondContact O-CB 3.4Å; A214-M218 WeakPolarHBondContact O-CG 3.35Å; A214-M218 PolarHBondContact O-N 3.49Å |
| 215 | L | 90.5 | Very high | 87.8 | Confident | 111 Ų | 111 | 66.5 Ų | 66.5 | 58% | 0.581 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -64.7 | -41.2 | 176 | -176.6 | 62.5 | 0 | 0 | 0 | 112.1 | I211 M213 M218 T219 | I211-L215 WeakPolarHBondContact O-CB 3.37Å; I211-L215 PolarHBondContact O-N 3.07Å; M213-L215 VanDerWaalsContact C-N 3.32Å; M213-L215 PolarHBondContact O-N 3.37Å; L215-M218 PolarHBondContact O-N 3.31Å; L215-T219 HydrophobicContact CD1-CG2 4.34Å; L215-T219 WeakPolarHBondContact O-CB 3.32Å; L215-T219 WeakPolarHBondContact O-CG2 3.3Å; L215-T219 PolarHBondContact O-N 3.07Å; L215-T219 PolarHBondContact O-OG1 3.28Å |
| 216 | S | 89.6 | Confident | 88.8 | Confident | 34 Ų | 34 | 62 Ų | 62 | 24% | 0.238 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.6 | -46.1 | 177.5 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | T212 M213 M218 T219 I220 | T212-S216 WeakPolarHBondContact O-CB 3.36Å; T212-S216 PolarHBondContact O-N 3Å; T212-S216 PolarHBondContact O-OG 3.46Å; M213-S216 PolarHBondContact O-N 3.25Å; S216-M218 PolarHBondContact O-N 2.87Å; S216-T219 WeakPolarHBondContact CA-OG1 3.48Å; S216-T219 PolarHBondContact O-N 3.43Å; S216-T219 PolarHBondContact O-OG1 3.27Å; S216-I220 WeakPolarHBondContact O-CD1 3.23Å; S216-I220 VanDerWaalsContact O-CG1 3.25Å; S216-I220 WeakPolarHBondContact O-CG1 3.46Å; S216-I220 PolarHBondContact O-N 3.21Å |
| 217 | W | 91.4 | Very high | 89.8 | Confident | 85 Ų | 85 | 59 Ų | 59 | 32% | 0.322 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.4 | -39 | 176.7 | -78.4 | 107.9 | 0 | 0 | 0 | 112.6 | V186 Y189 M213 A214 I220 V221 | V186-W217 HydrophobicContact CG2-CB 4.03Å; Y189-W217 HydrophobicContact CD2-CB 4.47Å; Y189-W217 AromaticContact CD2-CD1 3.62Å; Y189-W217 AromaticContact CD2-CG 3.98Å; Y189-W217 HydrophobicContact CD2-CG 3.98Å; Y189-W217 AromaticContact CE2-CD1 3.6Å; Y189-W217 HydrophobicContact CE2-CD2 4.29Å; Y189-W217 AromaticContact CE2-CE2 3.93Å; Y189-W217 HydrophobicContact CE2-CG 4.13Å; Y189-W217 AromaticContact CE2-NE1 3.49Å; Y189-W217 AromaticContact CZ-NE1 3.85Å; M213-W217 PolarHBondContact O-N 2.95Å; A214-W217 PolarHBondContact O-N 3.25Å; W217-I220 PolarHBondContact O-N 3.49Å; W217-V221 HydrophobicContact CE3-CG2 4.19Å; W217-V221 WeakPolarHBondContact O-CB 3.25Å; W217-V221 WeakPolarHBondContact O-CG2 3.48Å; W217-V221 PolarHBondContact O-N 2.86Å |
| 218 | M | 93.4 | Very high | 90.7 | Very high | 73 Ų | 73 | 56.3 Ų | 56.3 | 36% | 0.36 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.7 | -47.9 | 173.2 | -81.6 | -70.3 | -77.8 | 0 | 0 | 112.3 | V186 I190 A214 L215 S216 I220 V222 | V186-M218 HydrophobicContact CG1-CB 4.47Å; V186-M218 HydrophobicContact CG1-CG 3.57Å; V186-M218 HydrophobicContact CG1-SD 3.24Å; V186-M218 WeakPolarHBondContact CG1-SD 3.33Å; I190-M218 HydrophobicContact CD1-CE 4.41Å; I190-M218 HydrophobicContact CD1-CG 4.1Å; I190-M218 HydrophobicContact CD1-SD 3.69Å; I190-M218 HydrophobicContact CG1-CG 4.41Å; A214-M218 WeakPolarHBondContact O-CB 3.4Å; A214-M218 WeakPolarHBondContact O-CG 3.35Å; A214-M218 PolarHBondContact O-N 3.49Å; L215-M218 PolarHBondContact O-N 3.31Å; S216-M218 PolarHBondContact O-N 2.87Å; M218-I220 PolarHBondContact O-N 3.06Å; M218-V222 HydrophobicContact CE-CG2 4.07Å; M218-V222 WeakPolarHBondContact O-CB 3.41Å; M218-V222 WeakPolarHBondContact O-CG2 3.43Å; M218-V222 PolarHBondContact O-N 2.99Å; M218-V222 VanDerWaalsContact O-N 3.11Å; M218-V222 HydrophobicContact SD-CG2 3.97Å |
| 219 | T | 93.7 | Very high | 91.4 | Very high | 48 Ų | 48 | 51.1 Ų | 51.1 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -70.2 | -14.7 | -179.7 | 46.7 | 0 | 0 | 0 | 0 | 113.4 | L215 S216 P223 T256 | L215-T219 HydrophobicContact CD1-CG2 4.34Å; L215-T219 WeakPolarHBondContact O-CB 3.32Å; L215-T219 WeakPolarHBondContact O-CG2 3.3Å; L215-T219 PolarHBondContact O-N 3.07Å; L215-T219 PolarHBondContact O-OG1 3.28Å; S216-T219 WeakPolarHBondContact CA-OG1 3.48Å; S216-T219 PolarHBondContact O-N 3.43Å; S216-T219 PolarHBondContact O-OG1 3.27Å; T219-P223 VanDerWaalsContact O-CD 3.28Å; T219-P223 WeakPolarHBondContact O-CD 3.5Å; T219-P223 VanDerWaalsContact O-CG 3.24Å; T219-P223 WeakPolarHBondContact O-CG 3.46Å; T219-T256 WeakPolarHBondContact OG1-CG2 3.16Å |
| 220 | I | 93.9 | Very high | 92.1 | Very high | 13 Ų | 13 | 49.9 Ų | 49.9 | 7% | 0.067 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -91.4 | -54.1 | 171.8 | -66.6 | 163.6 | 0 | 0 | 0 | 111.1 | S216 W217 M218 L224 S253 T256 L257 | S216-I220 WeakPolarHBondContact O-CD1 3.23Å; S216-I220 VanDerWaalsContact O-CG1 3.25Å; S216-I220 WeakPolarHBondContact O-CG1 3.46Å; S216-I220 PolarHBondContact O-N 3.21Å; W217-I220 PolarHBondContact O-N 3.49Å; M218-I220 PolarHBondContact O-N 3.06Å; I220-L224 HydrophobicContact CG2-CD1 3.93Å; I220-L224 WeakPolarHBondContact O-CB 3.35Å; I220-L224 VanDerWaalsContact O-CG 3.25Å; I220-L224 WeakPolarHBondContact O-CG 3.45Å; I220-L224 PolarHBondContact O-N 2.98Å; I220-S253 PolarHBondContact O-OG 3.16Å; I220-T256 HydrophobicContact CD1-CG2 4.13Å; I220-T256 HydrophobicContact CG1-CG2 3.67Å; I220-L257 HydrophobicContact CD1-CD2 3.79Å; I220-L257 HydrophobicContact CD1-CG 4.08Å; I220-L257 HydrophobicContact CG1-CD2 4.44Å; I220-L257 HydrophobicContact CG1-CG 4.24Å; I220-L257 HydrophobicContact CG2-CD1 4.45Å; I220-L257 HydrophobicContact CG2-CD2 4.41Å; I220-L257 HydrophobicContact CG2-CG 4.28Å |
| 221 | V | 95.5 | Very high | 92.7 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.012 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -76.5 | -40.7 | -168.1 | 177.1 | 0 | 0 | 0 | 0 | 112.4 | M179 L182 V186 W217 L224 L225 | M179-V221 HydrophobicContact CE-CG1 4.12Å; L182-V221 HydrophobicContact CB-CG1 3.96Å; L182-V221 HydrophobicContact CB-CG2 4.13Å; V186-V221 HydrophobicContact CG2-CB 3.68Å; V186-V221 HydrophobicContact CG2-CG1 4.05Å; V186-V221 HydrophobicContact CG2-CG2 3.54Å; W217-V221 HydrophobicContact CE3-CG2 4.19Å; W217-V221 WeakPolarHBondContact O-CB 3.25Å; W217-V221 WeakPolarHBondContact O-CG2 3.48Å; W217-V221 PolarHBondContact O-N 2.86Å; V221-L224 PolarHBondContact O-N 3.39Å; V221-L225 WeakPolarHBondContact O-CB 3.47Å; V221-L225 PolarHBondContact O-N 3.33Å |
| 222 | V | 95 | Very high | 93.1 | Very high | 69 Ų | 69 | 46.9 Ų | 46.9 | 42% | 0.418 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63.9 | -45.6 | -178.6 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | M218 L225 T226 | M218-V222 HydrophobicContact CE-CG2 4.07Å; M218-V222 WeakPolarHBondContact O-CB 3.41Å; M218-V222 WeakPolarHBondContact O-CG2 3.43Å; M218-V222 PolarHBondContact O-N 2.99Å; M218-V222 VanDerWaalsContact O-N 3.11Å; M218-V222 HydrophobicContact SD-CG2 3.97Å; V222-L225 PolarHBondContact O-N 2.92Å; V222-T226 WeakPolarHBondContact O-CB 3.49Å; V222-T226 PolarHBondContact O-N 2.96Å; V222-T226 PolarHBondContact O-OG1 3.46Å |
| 223 | P | 96.4 | Very high | 93.5 | Very high | 13 Ų | 13 | 47.1 Ų | 47.1 | 8% | 0.084 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -70 | -32.2 | 176.4 | -19.4 | 34.8 | 0 | 0 | 0 | 112.8 | T219 T226 F227 P249 L252 S253 | T219-P223 VanDerWaalsContact O-CD 3.28Å; T219-P223 WeakPolarHBondContact O-CD 3.5Å; T219-P223 VanDerWaalsContact O-CG 3.24Å; T219-P223 WeakPolarHBondContact O-CG 3.46Å; P223-T226 PolarHBondContact O-N 2.9Å; P223-F227 WeakPolarHBondContact O-CB 3.45Å; P223-F227 PolarHBondContact O-N 2.79Å; P223-P249 HydrophobicContact CB-CB 3.85Å; P223-P249 WeakPolarHBondContact CB-O 3.41Å; P223-P249 WeakPolarHBondContact O-CB 3.4Å; P223-L252 HydrophobicContact CB-CB 4.38Å; P223-L252 HydrophobicContact CB-CD2 4.15Å; P223-L252 HydrophobicContact CB-CG 4.49Å; P223-L252 HydrophobicContact CG-CD2 3.69Å; P223-L252 HydrophobicContact CG-CG 4.19Å; P223-S253 WeakPolarHBondContact CB-OG 3.35Å |
| 224 | L | 95.2 | Very high | 93.8 | Very high | 42 Ų | 42 | 45.6 Ų | 45.6 | 22% | 0.22 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.6 | -44.1 | 171.9 | -78.2 | 175.4 | 0 | 0 | 0 | 112.2 | M179 I220 V221 T226 F227 E228 L250 S253 | M179-L224 HydrophobicContact CE-CB 3.58Å; M179-L224 HydrophobicContact SD-CB 4.45Å; I220-L224 HydrophobicContact CG2-CD1 3.93Å; I220-L224 WeakPolarHBondContact O-CB 3.35Å; I220-L224 VanDerWaalsContact O-CG 3.25Å; I220-L224 WeakPolarHBondContact O-CG 3.45Å; I220-L224 PolarHBondContact O-N 2.98Å; V221-L224 PolarHBondContact O-N 3.39Å; L224-T226 VanDerWaalsContact C-N 3.31Å; L224-T226 PolarHBondContact O-N 3.43Å; L224-F227 WeakPolarHBondContact O-CB 3.25Å; L224-F227 PolarHBondContact O-N 3.31Å; L224-E228 PolarHBondContact O-N 3.32Å; L224-L250 HydrophobicContact CD2-CD1 3.68Å; L224-S253 PolarHBondContact N-OG 3.4Å |
| 225 | L | 95.8 | Very high | 93.9 | Very high | 48 Ų | 48 | 48.8 Ų | 48.8 | 25% | 0.251 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.8 | -40.4 | 177.1 | -178.8 | 66.2 | 0 | 0 | 0 | 110.8 | W176 M179 V221 V222 E228 I229 | W176-L225 HydrophobicContact CE3-CD1 4.29Å; W176-L225 HydrophobicContact CZ3-CD1 3.88Å; M179-L225 HydrophobicContact CB-CD1 4.12Å; M179-L225 HydrophobicContact CE-CB 3.79Å; M179-L225 VanDerWaalsContact CE-N 3.33Å; V221-L225 WeakPolarHBondContact O-CB 3.47Å; V221-L225 PolarHBondContact O-N 3.33Å; V222-L225 PolarHBondContact O-N 2.92Å; L225-E228 PolarHBondContact O-N 3.24Å; L225-I229 HydrophobicContact CD1-CD1 4.44Å; L225-I229 HydrophobicContact CG-CD1 4.04Å; L225-I229 VanDerWaalsContact O-CG1 3.28Å; L225-I229 WeakPolarHBondContact O-CG1 3.22Å; L225-I229 PolarHBondContact O-N 2.96Å |
| 226 | T | 95.4 | Very high | 94 | Very high | 57 Ų | 57 | 45.2 Ų | 45.2 | 35% | 0.35 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.5 | -43.8 | 176.2 | -54.4 | 0 | 0 | 0 | 0 | 110.9 | V222 P223 L224 I229 L230 P249 | V222-T226 WeakPolarHBondContact O-CB 3.49Å; V222-T226 PolarHBondContact O-N 2.96Å; V222-T226 PolarHBondContact O-OG1 3.46Å; P223-T226 PolarHBondContact O-N 2.9Å; L224-T226 VanDerWaalsContact C-N 3.31Å; L224-T226 PolarHBondContact O-N 3.43Å; T226-I229 PolarHBondContact O-N 3.14Å; T226-L230 HydrophobicContact CG2-CD1 4.03Å; T226-L230 HydrophobicContact CG2-CG 4.44Å; T226-L230 WeakPolarHBondContact O-CB 3.21Å; T226-L230 VanDerWaalsContact O-CG 3.25Å; T226-L230 WeakPolarHBondContact O-CG 3.45Å; T226-L230 PolarHBondContact O-N 3.22Å; T226-P249 HydrophobicContact CG2-CB 4.38Å; T226-P249 HydrophobicContact CG2-CG 4.01Å |
| 227 | F | 96.4 | Very high | 93.9 | Very high | 31 Ų | 31 | 46.6 Ų | 46.6 | 14% | 0.136 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.7 | -47.8 | 173.8 | 166.1 | -103.1 | 0 | 0 | 0 | 111.6 | P223 L224 I229 L230 L231 I246 F247 P249 L250 | P223-F227 WeakPolarHBondContact O-CB 3.45Å; P223-F227 PolarHBondContact O-N 2.79Å; L224-F227 WeakPolarHBondContact O-CB 3.25Å; L224-F227 PolarHBondContact O-N 3.31Å; F227-I229 PolarHBondContact O-N 3.39Å; F227-L230 PolarHBondContact O-N 2.94Å; F227-L231 HydrophobicContact CE1-CD2 4.06Å; F227-L231 HydrophobicContact CZ-CD2 3.86Å; F227-L231 VanDerWaalsContact O-CB 3.24Å; F227-L231 WeakPolarHBondContact O-CB 3.45Å; F227-L231 PolarHBondContact O-N 3.32Å; F227-I246 HydrophobicContact CD2-CG2 4.45Å; F227-I246 VanDerWaalsContact CD2-O 3.28Å; F227-I246 WeakPolarHBondContact CD2-O 3.42Å; F227-F247 HydrophobicContact CE2-CD1 4.09Å; F227-F247 HydrophobicContact CE2-CD2 4.05Å; F227-F247 HydrophobicContact CE2-CE1 4.22Å; F227-F247 HydrophobicContact CE2-CE2 4.21Å; F227-F247 HydrophobicContact CE2-CG 4.02Å; F227-F247 HydrophobicContact CE2-CZ 4.3Å; F227-F247 HydrophobicContact CZ-CE1 4.44Å; F227-P249 HydrophobicContact CB-CB 4.19Å; F227-L250 HydrophobicContact CB-CB 4.21Å; F227-L250 HydrophobicContact CD1-CB 4.31Å; F227-L250 HydrophobicContact CD2-CB 3.71Å; F227-L250 HydrophobicContact CD2-CD2 4.4Å; F227-L250 HydrophobicContact CE1-CD2 4.23Å; F227-L250 HydrophobicContact CE2-CB 4.14Å; F227-L250 HydrophobicContact CE2-CD2 3.98Å; F227-L250 HydrophobicContact CG-CB 3.81Å; F227-L250 HydrophobicContact CZ-CD2 3.89Å |
| 228 | E | 95.1 | Very high | 93.7 | Very high | 16 Ų | 16 | 48.8 Ų | 48.8 | 8% | 0.075 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.1 | -47.4 | 179.7 | -174.1 | 179.4 | -165.9 | 0 | 0 | 112 | L175 W176 M179 L224 L225 L230 L231 V232 | L175-E228 WeakPolarHBondContact CB-OE1 3.25Å; W176-E228 HydrophobicContact CE3-CG 4.37Å; W176-E228 HydrophobicContact CH2-CB 4.45Å; W176-E228 HydrophobicContact CH2-CG 3.87Å; W176-E228 HydrophobicContact CZ2-CG 4.13Å; W176-E228 HydrophobicContact CZ3-CB 4.47Å; W176-E228 HydrophobicContact CZ3-CG 4Å; W176-E228 PolarHBondContact N-OE1 3.4Å; M179-E228 WeakPolarHBondContact CG-OE2 3.38Å; L224-E228 PolarHBondContact O-N 3.32Å; L225-E228 PolarHBondContact O-N 3.24Å; E228-L230 PolarHBondContact O-N 3.11Å; E228-L231 PolarHBondContact O-N 3.14Å; E228-V232 WeakPolarHBondContact O-CB 3.36Å; E228-V232 WeakPolarHBondContact O-CG2 3.5Å; E228-V232 PolarHBondContact O-N 3.48Å |
| 229 | I | 94.9 | Very high | 93.1 | Very high | 71 Ų | 71 | 47.2 Ų | 47.2 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.2 | -49.4 | 177.2 | -65.5 | 163.5 | 0 | 0 | 0 | 111 | W176 L225 T226 F227 L231 V232 H233 | W176-I229 HydrophobicContact CH2-CB 4.28Å; W176-I229 HydrophobicContact CH2-CG1 3.53Å; W176-I229 HydrophobicContact CZ3-CG1 3.76Å; L225-I229 HydrophobicContact CD1-CD1 4.44Å; L225-I229 HydrophobicContact CG-CD1 4.04Å; L225-I229 VanDerWaalsContact O-CG1 3.28Å; L225-I229 WeakPolarHBondContact O-CG1 3.22Å; L225-I229 PolarHBondContact O-N 2.96Å; T226-I229 PolarHBondContact O-N 3.14Å; F227-I229 PolarHBondContact O-N 3.39Å; I229-L231 VanDerWaalsContact C-N 3.34Å; I229-L231 PolarHBondContact O-N 3.3Å; I229-V232 PolarHBondContact O-N 3.35Å; I229-H233 WeakPolarHBondContact O-CB 3.37Å; I229-H233 PolarHBondContact O-N 3.48Å |
| 230 | L | 94.8 | Very high | 92.4 | Very high | 43 Ų | 43 | 50.1 Ų | 50.1 | 23% | 0.225 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65 | -39 | -179 | -70 | 176.7 | 0 | 0 | 0 | 112.1 | T226 F227 E228 K234 I246 P249 | T226-L230 HydrophobicContact CG2-CD1 4.03Å; T226-L230 HydrophobicContact CG2-CG 4.44Å; T226-L230 WeakPolarHBondContact O-CB 3.21Å; T226-L230 VanDerWaalsContact O-CG 3.25Å; T226-L230 WeakPolarHBondContact O-CG 3.45Å; T226-L230 PolarHBondContact O-N 3.22Å; F227-L230 PolarHBondContact O-N 2.94Å; E228-L230 PolarHBondContact O-N 3.11Å; L230-K234 PolarHBondContact O-N 3.25Å; L230-I246 HydrophobicContact CB-CB 4.41Å; L230-I246 HydrophobicContact CB-CG1 4.23Å; L230-I246 HydrophobicContact CB-CG2 3.88Å; L230-P249 HydrophobicContact CD1-CG 4.33Å |
| 231 | L | 94.4 | Very high | 91.9 | Very high | 52 Ų | 52 | 55 Ų | 55 | 27% | 0.272 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.8 | -49.6 | 177.7 | -178.8 | 65.5 | 0 | 0 | 0 | 111.1 | F227 E228 I229 H233 K234 L235 I246 | F227-L231 HydrophobicContact CE1-CD2 4.06Å; F227-L231 HydrophobicContact CZ-CD2 3.86Å; F227-L231 VanDerWaalsContact O-CB 3.24Å; F227-L231 WeakPolarHBondContact O-CB 3.45Å; F227-L231 PolarHBondContact O-N 3.32Å; E228-L231 PolarHBondContact O-N 3.14Å; I229-L231 VanDerWaalsContact C-N 3.34Å; I229-L231 PolarHBondContact O-N 3.3Å; L231-H233 PolarHBondContact O-N 2.89Å; L231-K234 PolarHBondContact O-N 2.93Å; L231-L235 HydrophobicContact CD1-CD1 4.23Å; L231-L235 HydrophobicContact CD1-CG 4.28Å; L231-L235 HydrophobicContact CG-CD1 3.94Å; L231-L235 HydrophobicContact CG-CG 4.38Å; L231-L235 WeakPolarHBondContact O-CB 3.33Å; L231-L235 VanDerWaalsContact O-CG 3.28Å; L231-L235 WeakPolarHBondContact O-CG 3.2Å; L231-L235 PolarHBondContact O-N 2.91Å; L231-I246 HydrophobicContact CB-CG2 4.35Å |
| 232 | V | 94.6 | Very high | 91.6 | Very high | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.012 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60 | -45.9 | 178.6 | 168.3 | 0 | 0 | 0 | 0 | 110.9 | W168 L169 C172 W176 E228 I229 K234 L235 D236 | W168-V232 HydrophobicContact CB-CG1 4.46Å; L169-V232 HydrophobicContact CB-CG1 3.97Å; L169-V232 HydrophobicContact CD1-CG1 4.07Å; C172-V232 HydrophobicContact CB-CG2 4.06Å; W176-V232 HydrophobicContact CZ2-CB 4.25Å; W176-V232 HydrophobicContact CZ2-CG1 4.4Å; W176-V232 HydrophobicContact CZ2-CG2 3.89Å; E228-V232 WeakPolarHBondContact O-CB 3.36Å; E228-V232 WeakPolarHBondContact O-CG2 3.5Å; E228-V232 PolarHBondContact O-N 3.48Å; I229-V232 PolarHBondContact O-N 3.35Å; V232-K234 VanDerWaalsContact C-N 3.31Å; V232-K234 PolarHBondContact O-N 3.48Å; V232-L235 PolarHBondContact O-N 3.05Å; V232-D236 PolarHBondContact O-N 3.5Å |
| 233 | H | 93.3 | Very high | 91.3 | Very high | 79 Ų | 79 | 55.4 Ų | 55.4 | 37% | 0.366 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.9 | -37.9 | 176.7 | -89.9 | -147.3 | 0 | 0 | 0 | 113.2 | I229 L231 G237 H238 N239 | I229-H233 WeakPolarHBondContact O-CB 3.37Å; I229-H233 PolarHBondContact O-N 3.48Å; L231-H233 PolarHBondContact O-N 2.89Å; H233-G237 PolarHBondContact O-N 3.37Å; H233-H238 PolarHBondContact O-N 2.97Å; H233-N239 WeakPolarHBondContact CB-ND2 3.48Å; H233-N239 PolarHBondContact O-N 2.86Å |
| 234 | K | 92.5 | Very high | 91.2 | Very high | 60 Ų | 60 | 57.2 Ų | 57.2 | 26% | 0.261 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.3 | -43.5 | 174.5 | 175.5 | 162.2 | -179.1 | 160.3 | 0 | 111.7 | L230 L231 V232 D236 G237 F241 C243 I246 | L230-K234 PolarHBondContact O-N 3.25Å; L231-K234 PolarHBondContact O-N 2.93Å; V232-K234 VanDerWaalsContact C-N 3.31Å; V232-K234 PolarHBondContact O-N 3.48Å; K234-D236 VanDerWaalsContact C-N 3.29Å; K234-D236 PolarHBondContact O-N 3.45Å; K234-G237 PolarHBondContact O-N 3.22Å; K234-F241 PolarHBondContact NZ-O 3.35Å; K234-C243 VanDerWaalsContact NZ-N 3.17Å; K234-C243 PolarHBondContact NZ-SG 3.46Å; K234-I246 HydrophobicContact CB-CD1 3.72Å; K234-I246 HydrophobicContact CD-CD1 3.13Å; K234-I246 HydrophobicContact CG-CD1 4.02Å |
| 235 | L | 91.2 | Very high | 91.1 | Very high | 75 Ų | 75 | 58.2 Ų | 58.2 | 39% | 0.393 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.9 | -33.5 | -179.8 | -70.2 | 174.6 | 0 | 0 | 0 | 112.5 | W168 L231 V232 G237 | W168-L235 HydrophobicContact CB-CB 3.94Å; W168-L235 VanDerWaalsContact CD1-CB 3.48Å; W168-L235 HydrophobicContact CD2-CB 3.89Å; W168-L235 HydrophobicContact CD2-CD1 4.01Å; W168-L235 HydrophobicContact CD2-CG 4.46Å; W168-L235 HydrophobicContact CE3-CD1 4.02Å; W168-L235 HydrophobicContact CG-CB 3.5Å; W168-L235 HydrophobicContact CG-CD1 4.3Å; W168-L235 HydrophobicContact CG-CG 4.5Å; W168-L235 PolarHBondContact NE1-O 3.41Å; L231-L235 HydrophobicContact CD1-CD1 4.23Å; L231-L235 HydrophobicContact CD1-CG 4.28Å; L231-L235 HydrophobicContact CG-CD1 3.94Å; L231-L235 HydrophobicContact CG-CG 4.38Å; L231-L235 WeakPolarHBondContact O-CB 3.33Å; L231-L235 VanDerWaalsContact O-CG 3.28Å; L231-L235 WeakPolarHBondContact O-CG 3.2Å; L231-L235 PolarHBondContact O-N 2.91Å; V232-L235 PolarHBondContact O-N 3.05Å; L235-G237 PolarHBondContact O-N 2.99Å |
| 236 | D | 91.3 | Very high | 91 | Very high | 37 Ų | 37 | 56 Ų | 56 | 20% | 0.198 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -2.7 | 172.8 | -79.9 | -30.7 | 0 | 0 | 0 | 113.8 | P167 W168 L169 V232 K234 H238 | P167-D236 WeakPolarHBondContact CA-OD1 3.31Å; W168-D236 WeakPolarHBondContact CB-OD1 3.38Å; W168-D236 VanDerWaalsContact CD1-OD1 3.28Å; W168-D236 PolarHBondContact N-OD1 3.14Å; W168-D236 PolarHBondContact N-OD2 3.4Å; L169-D236 PolarHBondContact N-OD2 2.93Å; V232-D236 PolarHBondContact O-N 3.5Å; K234-D236 VanDerWaalsContact C-N 3.29Å; K234-D236 PolarHBondContact O-N 3.45Å; D236-H238 VanDerWaalsContact C-N 3.32Å; D236-H238 PolarHBondContact O-N 3.22Å |
| 237 | G | 87.8 | Confident | 91 | Very high | 62 Ų | 62 | 54.1 Ų | 54.1 | 64% | 0.639 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 12.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | H233 K234 L235 | H233-G237 PolarHBondContact O-N 3.37Å; K234-G237 PolarHBondContact O-N 3.22Å; L235-G237 PolarHBondContact O-N 2.99Å |
| 238 | H | 86.8 | Confident | 91 | Very high | 132 Ų | 132 | 56.1 Ų | 56.1 | 61% | 0.611 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -76.7 | -25.9 | 177.9 | -61.1 | 145.7 | 0 | 0 | 0 | 113 | H233 D236 | H233-H238 PolarHBondContact O-N 2.97Å; D236-H238 VanDerWaalsContact C-N 3.32Å; D236-H238 PolarHBondContact O-N 3.22Å |
| 239 | N | 80.3 | Confident | 91.1 | Very high | 40 Ų | 40 | 56.2 Ų | 56.2 | 21% | 0.214 | 33% | 0.325 | C | S | . | . | trans | -121.6 | 130.2 | -177.2 | -72.5 | -12.8 | 0 | 0 | 0 | 111.6 | H233 F241 | H233-N239 WeakPolarHBondContact CB-ND2 3.48Å; H233-N239 PolarHBondContact O-N 2.86Å; N239-F241 VanDerWaalsContact C-N 3.33Å; N239-F241 HydrophobicContact CB-CD2 3.83Å; N239-F241 HydrophobicContact CB-CE2 4.32Å | ||
| 240 | A | 79.5 | Confident | 91.2 | Very high | 109 Ų | 109 | 54.1 Ų | 54.1 | 90% | 0.901 | 31% | 0.314 | S | S | * | . | trans | -91.4 | 13.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 241 | F | 83.6 | Confident | 91.3 | Very high | 116 Ų | 116 | 54.1 Ų | 54.1 | 51% | 0.509 | 31% | 0.312 | S | S | . | . | trans | -61.1 | 144.2 | 179.1 | -65 | -53.5 | 0 | 0 | 0 | 111.5 | K234 N239 P245 I246 | K234-F241 PolarHBondContact NZ-O 3.35Å; N239-F241 VanDerWaalsContact C-N 3.33Å; N239-F241 HydrophobicContact CB-CD2 3.83Å; N239-F241 HydrophobicContact CB-CE2 4.32Å; F241-P245 HydrophobicContact CB-CG 4.49Å; F241-I246 HydrophobicContact CB-CD1 4.16Å; F241-I246 HydrophobicContact CB-CG1 4.32Å | ||
| 242 | S | 88.8 | Confident | 91.3 | Very high | 68 Ų | 68 | 55.9 Ų | 55.9 | 48% | 0.476 | 32% | 0.321 | S | S | . | . | trans | -56.8 | 156.4 | 166.4 | -55.4 | 0 | 0 | 0 | 0 | 111 | D33 P245 I246 | D33-S242 WeakPolarHBondContact OD2-CB 3.44Å; S242-P245 VanDerWaalsContact O-CD 3.27Å; S242-P245 WeakPolarHBondContact O-CD 3.37Å; S242-P245 VanDerWaalsContact O-CG 3.3Å; S242-P245 WeakPolarHBondContact O-CG 3.23Å; S242-I246 WeakPolarHBondContact O-CD1 3.37Å | ||
| 243 | C | 90.3 | Very high | 91.4 | Very high | 11 Ų | 11 | 55.8 Ų | 55.8 | 7% | 0.074 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.2 | -37.3 | 178.4 | -65.2 | 0 | 0 | 0 | 0 | 111.9 | A29 L32 D33 K234 I246 F247 | A29-C243 HydrophobicContact CB-CB 4.43Å; L32-C243 HydrophobicContact CB-CB 4.1Å; L32-C243 WeakPolarHBondContact CB-SG 3.36Å; D33-C243 VanDerWaalsContact OD1-CB 3.27Å; D33-C243 WeakPolarHBondContact OD1-CB 3.32Å; D33-C243 PolarHBondContact OD1-N 3.05Å; D33-C243 PolarHBondContact OD1-SG 3.36Å; D33-C243 PolarHBondContact OD2-N 2.88Å; K234-C243 VanDerWaalsContact NZ-N 3.17Å; K234-C243 PolarHBondContact NZ-SG 3.46Å; C243-I246 WeakPolarHBondContact O-CB 3.35Å; C243-I246 PolarHBondContact O-N 3.43Å; C243-I246 VanDerWaalsContact O-N 3.12Å; C243-F247 HydrophobicContact CB-CD2 4.4Å; C243-F247 HydrophobicContact CB-CE2 4.43Å; C243-F247 VanDerWaalsContact O-CD2 3.22Å; C243-F247 WeakPolarHBondContact O-CD2 3.48Å; C243-F247 PolarHBondContact O-N 2.77Å |
| 244 | I | 93.1 | Very high | 91.5 | Very high | 50 Ų | 50 | 52.8 Ų | 52.8 | 26% | 0.256 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -49.6 | -60.1 | 179.5 | -72.1 | 161.8 | 0 | 0 | 0 | 113.4 | A29 L30 D33 I35 I246 F247 V248 W251 | A29-I244 HydrophobicContact CB-CG1 4.45Å; L30-I244 HydrophobicContact CD2-CD1 4Å; L30-I244 HydrophobicContact CD2-CG1 4.5Å; D33-I244 WeakPolarHBondContact OD2-CG1 3.42Å; D33-I244 PolarHBondContact OD2-N 3.24Å; I35-I244 HydrophobicContact CD1-CD1 3.36Å; I244-I246 PolarHBondContact O-N 3.29Å; I244-F247 PolarHBondContact O-N 2.94Å; I244-V248 WeakPolarHBondContact O-CG2 3.39Å; I244-V248 PolarHBondContact O-N 3.18Å; I244-V248 VanDerWaalsContact O-N 3.1Å; I244-W251 HydrophobicContact CB-CH2 4.44Å; I244-W251 HydrophobicContact CG1-CH2 4.47Å; I244-W251 HydrophobicContact CG2-CH2 3.91Å; I244-W251 HydrophobicContact CG2-CZ3 4.18Å |
| 245 | P | 93.3 | Very high | 91.6 | Very high | 64 Ų | 64 | 54 Ų | 54 | 42% | 0.416 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.2 | -25.8 | -177.5 | 24.7 | -35.6 | 0 | 0 | 0 | 112.9 | F241 S242 | F241-P245 HydrophobicContact CB-CG 4.49Å; S242-P245 VanDerWaalsContact O-CD 3.27Å; S242-P245 WeakPolarHBondContact O-CD 3.37Å; S242-P245 VanDerWaalsContact O-CG 3.3Å; S242-P245 WeakPolarHBondContact O-CG 3.23Å |
| 246 | I | 94.5 | Very high | 91.6 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.3 | -38.1 | 174.8 | -64.9 | 170.5 | 0 | 0 | 0 | 110.5 | F227 L230 L231 K234 F241 S242 C243 I244 P249 | F227-I246 HydrophobicContact CD2-CG2 4.45Å; F227-I246 VanDerWaalsContact CD2-O 3.28Å; F227-I246 WeakPolarHBondContact CD2-O 3.42Å; L230-I246 HydrophobicContact CB-CB 4.41Å; L230-I246 HydrophobicContact CB-CG1 4.23Å; L230-I246 HydrophobicContact CB-CG2 3.88Å; L231-I246 HydrophobicContact CB-CG2 4.35Å; K234-I246 HydrophobicContact CB-CD1 3.72Å; K234-I246 HydrophobicContact CD-CD1 3.13Å; K234-I246 HydrophobicContact CG-CD1 4.02Å; F241-I246 HydrophobicContact CB-CD1 4.16Å; F241-I246 HydrophobicContact CB-CG1 4.32Å; S242-I246 WeakPolarHBondContact O-CD1 3.37Å; C243-I246 WeakPolarHBondContact O-CB 3.35Å; C243-I246 PolarHBondContact O-N 3.43Å; C243-I246 VanDerWaalsContact O-N 3.12Å; I244-I246 PolarHBondContact O-N 3.29Å; I246-P249 VanDerWaalsContact O-CD 3.31Å; I246-P249 WeakPolarHBondContact O-CD 3.24Å |
| 247 | F | 95.6 | Very high | 91.7 | Very high | 17 Ų | 17 | 51.5 Ų | 51.5 | 8% | 0.075 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -82 | -16.2 | -179.5 | -83.6 | -111.1 | 0 | 0 | 0 | 114.2 | L28 A29 F227 C243 I244 L250 W251 | L28-F247 HydrophobicContact CD2-CE1 4.36Å; L28-F247 HydrophobicContact CD2-CZ 4.28Å; A29-F247 HydrophobicContact CB-CB 4.09Å; A29-F247 HydrophobicContact CB-CD1 4.19Å; A29-F247 HydrophobicContact CB-CD2 4.1Å; A29-F247 HydrophobicContact CB-CG 3.87Å; F227-F247 HydrophobicContact CE2-CD1 4.09Å; F227-F247 HydrophobicContact CE2-CD2 4.05Å; F227-F247 HydrophobicContact CE2-CE1 4.22Å; F227-F247 HydrophobicContact CE2-CE2 4.21Å; F227-F247 HydrophobicContact CE2-CG 4.02Å; F227-F247 HydrophobicContact CE2-CZ 4.3Å; F227-F247 HydrophobicContact CZ-CE1 4.44Å; C243-F247 HydrophobicContact CB-CD2 4.4Å; C243-F247 HydrophobicContact CB-CE2 4.43Å; C243-F247 VanDerWaalsContact O-CD2 3.22Å; C243-F247 WeakPolarHBondContact O-CD2 3.48Å; C243-F247 PolarHBondContact O-N 2.77Å; I244-F247 PolarHBondContact O-N 2.94Å; F247-L250 HydrophobicContact CD1-CD2 3.95Å; F247-L250 HydrophobicContact CE1-CD2 4.28Å; F247-L250 WeakPolarHBondContact O-CA 3.31Å; F247-L250 VanDerWaalsContact O-CB 3.32Å; F247-L250 WeakPolarHBondContact O-CB 3.26Å; F247-L250 PolarHBondContact O-N 2.79Å; F247-W251 HydrophobicContact CB-CH2 4.46Å; F247-W251 HydrophobicContact CB-CZ2 3.71Å; F247-W251 PolarHBondContact O-N 3.5Å |
| 248 | V | 95.5 | Very high | 91.8 | Very high | 72 Ų | 72 | 50.6 Ų | 50.6 | 44% | 0.436 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -52.6 | -46.7 | 178.9 | 167.7 | 0 | 0 | 0 | 0 | 113.6 | I244 L250 W251 L252 | I244-V248 WeakPolarHBondContact O-CG2 3.39Å; I244-V248 PolarHBondContact O-N 3.18Å; I244-V248 VanDerWaalsContact O-N 3.1Å; V248-L250 VanDerWaalsContact C-N 3.3Å; V248-L250 PolarHBondContact O-N 3.3Å; V248-W251 HydrophobicContact CB-CE3 4.34Å; V248-W251 HydrophobicContact CG2-CE3 3.82Å; V248-W251 HydrophobicContact CG2-CZ3 3.68Å; V248-W251 WeakPolarHBondContact O-CB 3.31Å; V248-W251 PolarHBondContact O-N 3.25Å; V248-W251 VanDerWaalsContact O-N 3.16Å; V248-L252 PolarHBondContact O-N 2.98Å |
| 249 | P | 96.8 | Very high | 91.9 | Very high | 18 Ų | 18 | 47.1 Ų | 47.1 | 12% | 0.117 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.6 | -37 | 176.3 | -22.9 | 34.4 | 0 | 0 | 0 | 112.9 | P223 T226 F227 L230 I246 L252 S253 | P223-P249 HydrophobicContact CB-CB 3.85Å; P223-P249 WeakPolarHBondContact CB-O 3.41Å; P223-P249 WeakPolarHBondContact O-CB 3.4Å; T226-P249 HydrophobicContact CG2-CB 4.38Å; T226-P249 HydrophobicContact CG2-CG 4.01Å; F227-P249 HydrophobicContact CB-CB 4.19Å; L230-P249 HydrophobicContact CD1-CG 4.33Å; I246-P249 VanDerWaalsContact O-CD 3.31Å; I246-P249 WeakPolarHBondContact O-CD 3.24Å; P249-L252 WeakPolarHBondContact O-CB 3.41Å; P249-L252 PolarHBondContact O-N 2.99Å; P249-S253 PolarHBondContact O-N 2.96Å; P249-S253 VanDerWaalsContact O-N 3.15Å; P249-S253 PolarHBondContact O-OG 3.4Å |
| 250 | L | 96.6 | Very high | 92.2 | Very high | 27 Ų | 27 | 46.9 Ų | 46.9 | 14% | 0.141 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 174.5 | 174.2 | 66.1 | 0 | 0 | 0 | 111.4 | L224 F227 F247 V248 L252 S253 L254 | L224-L250 HydrophobicContact CD2-CD1 3.68Å; F227-L250 HydrophobicContact CB-CB 4.21Å; F227-L250 HydrophobicContact CD1-CB 4.31Å; F227-L250 HydrophobicContact CD2-CB 3.71Å; F227-L250 HydrophobicContact CD2-CD2 4.4Å; F227-L250 HydrophobicContact CE1-CD2 4.23Å; F227-L250 HydrophobicContact CE2-CB 4.14Å; F227-L250 HydrophobicContact CE2-CD2 3.98Å; F227-L250 HydrophobicContact CG-CB 3.81Å; F227-L250 HydrophobicContact CZ-CD2 3.89Å; F247-L250 HydrophobicContact CD1-CD2 3.95Å; F247-L250 HydrophobicContact CE1-CD2 4.28Å; F247-L250 WeakPolarHBondContact O-CA 3.31Å; F247-L250 VanDerWaalsContact O-CB 3.32Å; F247-L250 WeakPolarHBondContact O-CB 3.26Å; F247-L250 PolarHBondContact O-N 2.79Å; V248-L250 VanDerWaalsContact C-N 3.3Å; V248-L250 PolarHBondContact O-N 3.3Å; L250-L252 VanDerWaalsContact C-N 3.31Å; L250-L252 PolarHBondContact O-N 3.18Å; L250-S253 PolarHBondContact O-N 3.25Å; L250-L254 HydrophobicContact CD1-CD1 4.13Å; L250-L254 HydrophobicContact CD1-CG 4.22Å; L250-L254 HydrophobicContact CG-CD1 3.96Å; L250-L254 HydrophobicContact CG-CG 4.44Å; L250-L254 WeakPolarHBondContact O-CG 3.1Å; L250-L254 PolarHBondContact O-N 2.75Å |
| 251 | W | 96.8 | Very high | 92.4 | Very high | 44 Ų | 44 | 41.7 Ų | 41.7 | 17% | 0.167 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.7 | -39.6 | 177.5 | -57.2 | -24 | 0 | 0 | 0 | 111.9 | L22 S25 V26 A29 I244 F247 V248 S253 L254 I255 | L22-W251 HydrophobicContact CD1-CB 3.84Å; L22-W251 HydrophobicContact CD1-CG 3.98Å; S25-W251 PolarHBondContact OG-NE1 3.36Å; S25-W251 VanDerWaalsContact OG-NE1 3.08Å; V26-W251 HydrophobicContact CB-CZ2 4.38Å; V26-W251 HydrophobicContact CG2-CD2 4.11Å; V26-W251 HydrophobicContact CG2-CG 4.39Å; V26-W251 HydrophobicContact CG2-CZ2 3.92Å; A29-W251 HydrophobicContact CB-CZ2 3.9Å; I244-W251 HydrophobicContact CB-CH2 4.44Å; I244-W251 HydrophobicContact CG1-CH2 4.47Å; I244-W251 HydrophobicContact CG2-CH2 3.91Å; I244-W251 HydrophobicContact CG2-CZ3 4.18Å; F247-W251 HydrophobicContact CB-CH2 4.46Å; F247-W251 HydrophobicContact CB-CZ2 3.71Å; F247-W251 PolarHBondContact O-N 3.5Å; V248-W251 HydrophobicContact CB-CE3 4.34Å; V248-W251 HydrophobicContact CG2-CE3 3.82Å; V248-W251 HydrophobicContact CG2-CZ3 3.68Å; V248-W251 WeakPolarHBondContact O-CB 3.31Å; V248-W251 PolarHBondContact O-N 3.25Å; V248-W251 VanDerWaalsContact O-N 3.16Å; W251-S253 PolarHBondContact O-N 2.65Å; W251-L254 PolarHBondContact O-N 3.12Å; W251-I255 WeakPolarHBondContact O-CB 3.33Å; W251-I255 WeakPolarHBondContact O-CD1 3.47Å; W251-I255 VanDerWaalsContact O-CG1 3.22Å; W251-I255 WeakPolarHBondContact O-CG1 3.4Å; W251-I255 PolarHBondContact O-N 3.1Å |
| 252 | L | 96.3 | Very high | 92.2 | Very high | 89 Ų | 89 | 39.8 Ų | 39.8 | 47% | 0.466 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.8 | -45.8 | 175 | -179.7 | 60.9 | 0 | 0 | 0 | 111.6 | P223 V248 P249 L250 T256 | P223-L252 HydrophobicContact CB-CB 4.38Å; P223-L252 HydrophobicContact CB-CD2 4.15Å; P223-L252 HydrophobicContact CB-CG 4.49Å; P223-L252 HydrophobicContact CG-CD2 3.69Å; P223-L252 HydrophobicContact CG-CG 4.19Å; V248-L252 PolarHBondContact O-N 2.98Å; P249-L252 WeakPolarHBondContact O-CB 3.41Å; P249-L252 PolarHBondContact O-N 2.99Å; L250-L252 VanDerWaalsContact C-N 3.31Å; L250-L252 PolarHBondContact O-N 3.18Å; L252-T256 WeakPolarHBondContact O-CB 3.48Å; L252-T256 PolarHBondContact O-N 3.03Å; L252-T256 PolarHBondContact O-OG1 3.3Å |
| 253 | S | 95.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.9 | -41.1 | 176.9 | -61.5 | 0 | 0 | 0 | 0 | 112.4 | I220 P223 L224 P249 L250 W251 T256 L257 | I220-S253 PolarHBondContact O-OG 3.16Å; P223-S253 WeakPolarHBondContact CB-OG 3.35Å; L224-S253 PolarHBondContact N-OG 3.4Å; P249-S253 PolarHBondContact O-N 2.96Å; P249-S253 VanDerWaalsContact O-N 3.15Å; P249-S253 PolarHBondContact O-OG 3.4Å; L250-S253 PolarHBondContact O-N 3.25Å; W251-S253 PolarHBondContact O-N 2.65Å; S253-T256 PolarHBondContact O-N 3.05Å; S253-L257 WeakPolarHBondContact O-CB 3.47Å; S253-L257 WeakPolarHBondContact O-CG 3.45Å; S253-L257 PolarHBondContact O-N 2.92Å |
| 254 | L | 94.8 | Very high | 90 | Very high | 15 Ų | 15 | 41.3 Ų | 41.3 | 8% | 0.079 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.9 | -39.7 | 178.9 | -73.5 | 173 | 0 | 0 | 0 | 112.6 | L21 L22 L250 W251 T256 L257 M258 | L21-L254 HydrophobicContact CB-CD1 4.43Å; L21-L254 HydrophobicContact CB-CD2 4.23Å; L22-L254 HydrophobicContact CB-CB 4.32Å; L22-L254 HydrophobicContact CB-CD1 4.21Å; L22-L254 HydrophobicContact CD1-CB 4.1Å; L22-L254 HydrophobicContact CD1-CD1 4.25Å; L250-L254 HydrophobicContact CD1-CD1 4.13Å; L250-L254 HydrophobicContact CD1-CG 4.22Å; L250-L254 HydrophobicContact CG-CD1 3.96Å; L250-L254 HydrophobicContact CG-CG 4.44Å; L250-L254 WeakPolarHBondContact O-CG 3.1Å; L250-L254 PolarHBondContact O-N 2.75Å; W251-L254 PolarHBondContact O-N 3.12Å; L254-T256 VanDerWaalsContact C-N 3.32Å; L254-L257 HydrophobicContact CD2-CD1 4.46Å; L254-L257 PolarHBondContact O-N 3.02Å; L254-M258 WeakPolarHBondContact O-CB 3.49Å; L254-M258 PolarHBondContact O-N 3.4Å |
| 255 | I | 94.9 | Very high | 88.4 | Confident | 85 Ų | 85 | 47.1 Ų | 47.1 | 44% | 0.436 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 173.7 | -70 | 165.2 | 0 | 0 | 0 | 110.2 | L22 W251 M258 A259 | L22-I255 HydrophobicContact CD1-CG1 4.45Å; L22-I255 HydrophobicContact CD2-CG1 3.88Å; W251-I255 WeakPolarHBondContact O-CB 3.33Å; W251-I255 WeakPolarHBondContact O-CD1 3.47Å; W251-I255 VanDerWaalsContact O-CG1 3.22Å; W251-I255 WeakPolarHBondContact O-CG1 3.4Å; W251-I255 PolarHBondContact O-N 3.1Å; I255-M258 WeakPolarHBondContact O-CB 3.25Å; I255-M258 PolarHBondContact O-N 3.08Å; I255-A259 PolarHBondContact O-N 2.87Å |
| 256 | T | 92.5 | Very high | 86.6 | Confident | 23 Ų | 23 | 46.8 Ų | 46.8 | 14% | 0.141 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 176.5 | -53.1 | 0 | 0 | 0 | 0 | 111.1 | T219 I220 L252 S253 L254 M258 A259 T260 | T219-T256 WeakPolarHBondContact OG1-CG2 3.16Å; I220-T256 HydrophobicContact CD1-CG2 4.13Å; I220-T256 HydrophobicContact CG1-CG2 3.67Å; L252-T256 WeakPolarHBondContact O-CB 3.48Å; L252-T256 PolarHBondContact O-N 3.03Å; L252-T256 PolarHBondContact O-OG1 3.3Å; S253-T256 PolarHBondContact O-N 3.05Å; L254-T256 VanDerWaalsContact C-N 3.32Å; T256-M258 VanDerWaalsContact C-N 3.32Å; T256-M258 PolarHBondContact O-N 3.49Å; T256-A259 WeakPolarHBondContact O-CB 3.44Å; T256-A259 PolarHBondContact O-N 3.46Å; T256-A259 VanDerWaalsContact O-N 3.14Å; T256-T260 WeakPolarHBondContact O-CG2 3.48Å; T256-T260 PolarHBondContact O-N 3.48Å |
| 257 | L | 91.6 | Very high | 84.8 | Confident | 38 Ų | 38 | 48.2 Ų | 48.2 | 20% | 0.199 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.3 | -45 | 173.5 | -79.1 | 167.7 | 0 | 0 | 0 | 111.3 | Y18 I220 S253 L254 A259 T260 T261 | Y18-L257 HydrophobicContact CD1-CB 4.24Å; Y18-L257 HydrophobicContact CD1-CD1 4.43Å; Y18-L257 HydrophobicContact CD2-CB 3.89Å; Y18-L257 HydrophobicContact CE1-CB 4.28Å; Y18-L257 HydrophobicContact CE1-CD1 4.18Å; Y18-L257 HydrophobicContact CE2-CB 3.91Å; Y18-L257 HydrophobicContact CG-CB 4.07Å; I220-L257 HydrophobicContact CD1-CD2 3.79Å; I220-L257 HydrophobicContact CD1-CG 4.08Å; I220-L257 HydrophobicContact CG1-CD2 4.44Å; I220-L257 HydrophobicContact CG1-CG 4.24Å; I220-L257 HydrophobicContact CG2-CD1 4.45Å; I220-L257 HydrophobicContact CG2-CD2 4.41Å; I220-L257 HydrophobicContact CG2-CG 4.28Å; S253-L257 WeakPolarHBondContact O-CB 3.47Å; S253-L257 WeakPolarHBondContact O-CG 3.45Å; S253-L257 PolarHBondContact O-N 2.92Å; L254-L257 HydrophobicContact CD2-CD1 4.46Å; L254-L257 PolarHBondContact O-N 3.02Å; L257-A259 VanDerWaalsContact C-N 3.33Å; L257-A259 PolarHBondContact O-N 3.27Å; L257-T260 WeakPolarHBondContact CA-OG1 3.38Å; L257-T260 PolarHBondContact O-N 3.42Å; L257-T260 VanDerWaalsContact O-N 3.14Å; L257-T260 PolarHBondContact O-OG1 2.92Å; L257-T261 WeakPolarHBondContact O-CG2 3.47Å; L257-T261 PolarHBondContact O-N 3.32Å |
| 258 | M | 90.9 | Very high | 83 | Confident | 43 Ų | 43 | 50.8 Ų | 50.8 | 21% | 0.212 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.3 | -42.7 | 174.9 | -169.7 | 174.2 | 65.6 | 0 | 0 | 111.8 | F15 A19 L254 I255 T256 T260 T261 | F15-M258 HydrophobicContact CD2-CG 3.41Å; F15-M258 VanDerWaalsContact CD2-CG 3.41Å; F15-M258 HydrophobicContact CD2-SD 4.18Å; F15-M258 HydrophobicContact CE2-CG 3.24Å; F15-M258 HydrophobicContact CE2-SD 3.54Å; F15-M258 VanDerWaalsContact CE2-SD 3.54Å; F15-M258 HydrophobicContact CG-CG 4.37Å; F15-M258 HydrophobicContact CZ-CG 4.09Å; F15-M258 HydrophobicContact CZ-SD 3.78Å; A19-M258 HydrophobicContact CB-SD 4.36Å; L254-M258 WeakPolarHBondContact O-CB 3.49Å; L254-M258 PolarHBondContact O-N 3.4Å; I255-M258 WeakPolarHBondContact O-CB 3.25Å; I255-M258 PolarHBondContact O-N 3.08Å; T256-M258 VanDerWaalsContact C-N 3.32Å; T256-M258 PolarHBondContact O-N 3.49Å; M258-T260 VanDerWaalsContact C-N 3.33Å; M258-T260 PolarHBondContact O-N 3.22Å; M258-T261 WeakPolarHBondContact O-CB 3.34Å; M258-T261 PolarHBondContact O-N 3.17Å; M258-T261 PolarHBondContact O-OG1 2.93Å |
| 259 | A | 89 | Confident | 81.1 | Confident | 59 Ų | 59 | 52.7 Ų | 52.7 | 49% | 0.488 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.2 | -36.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I255 T256 L257 T261 F262 | I255-A259 PolarHBondContact O-N 2.87Å; T256-A259 WeakPolarHBondContact O-CB 3.44Å; T256-A259 PolarHBondContact O-N 3.46Å; T256-A259 VanDerWaalsContact O-N 3.14Å; L257-A259 VanDerWaalsContact C-N 3.33Å; L257-A259 PolarHBondContact O-N 3.27Å; A259-T261 PolarHBondContact O-N 3.37Å; A259-F262 WeakPolarHBondContact O-CD2 3.38Å; A259-F262 PolarHBondContact O-N 2.95Å |
| 260 | T | 86.2 | Confident | 79.2 | Confident | 34 Ų | 34 | 52 Ų | 52 | 21% | 0.209 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70.7 | -12.2 | 176.8 | 61.7 | 0 | 0 | 0 | 0 | 114.4 | T256 L257 M258 F262 Q264 | T256-T260 WeakPolarHBondContact O-CG2 3.48Å; T256-T260 PolarHBondContact O-N 3.48Å; L257-T260 WeakPolarHBondContact CA-OG1 3.38Å; L257-T260 PolarHBondContact O-N 3.42Å; L257-T260 VanDerWaalsContact O-N 3.14Å; L257-T260 PolarHBondContact O-OG1 2.92Å; M258-T260 VanDerWaalsContact C-N 3.33Å; M258-T260 PolarHBondContact O-N 3.22Å; T260-F262 PolarHBondContact O-N 3.43Å; T260-Q264 VanDerWaalsContact O-CG 3.26Å; T260-Q264 WeakPolarHBondContact O-CG 3.38Å; T260-Q264 PolarHBondContact O-NE2 2.96Å |
| 261 | T | 83.6 | Confident | 77.5 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -17.3 | 174.1 | 67 | 0 | 0 | 0 | 0 | 113.5 | N11 K14 F15 Y18 L257 M258 A259 | N11-T261 PolarHBondContact N-O 3.38Å; N11-T261 VanDerWaalsContact N-O 3.12Å; K14-T261 HydrophobicContact CB-CG2 3.82Å; F15-T261 HydrophobicContact CB-CG2 4.36Å; Y18-T261 HydrophobicContact CD2-CG2 3.61Å; Y18-T261 HydrophobicContact CE2-CG2 3.63Å; L257-T261 WeakPolarHBondContact O-CG2 3.47Å; L257-T261 PolarHBondContact O-N 3.32Å; M258-T261 WeakPolarHBondContact O-CB 3.34Å; M258-T261 PolarHBondContact O-N 3.17Å; M258-T261 PolarHBondContact O-OG1 2.93Å; A259-T261 PolarHBondContact O-N 3.37Å |
| 262 | F | 79.8 | Confident | 75.8 | Confident | 77 Ų | 77 | 53 Ų | 53 | 34% | 0.338 | 30% | 0.3 | S | S | . | . | B | Isolated β-bridge | trans | -85.1 | 108.6 | 170.1 | -58 | -84.8 | 0 | 0 | 0 | 108.2 | L6 F10 F15 A259 T260 | L6-F262 HydrophobicContact CD2-CB 4.22Å; L6-F262 HydrophobicContact CD2-CD1 3.94Å; L6-F262 HydrophobicContact CD2-CG 4.36Å; L6-F262 HydrophobicContact CG-CB 4.4Å; F10-F262 AromaticContact CD2-CD1 3.52Å; F10-F262 HydrophobicContact CD2-CD1 3.52Å; F10-F262 AromaticContact CD2-CE1 3.51Å; F10-F262 HydrophobicContact CD2-CE1 3.51Å; F10-F262 HydrophobicContact CD2-CG 4.22Å; F10-F262 HydrophobicContact CD2-CZ 4.21Å; F10-F262 AromaticContact CE2-CD1 3.99Å; F10-F262 HydrophobicContact CE2-CD1 3.99Å; F10-F262 AromaticContact CE2-CE1 3.53Å; F10-F262 HydrophobicContact CE2-CE1 3.53Å; F10-F262 HydrophobicContact CE2-CE2 4.45Å; F10-F262 AromaticContact CE2-CZ 3.8Å; F10-F262 HydrophobicContact CE2-CZ 3.8Å; F10-F262 HydrophobicContact CG-CD1 4.43Å; F10-F262 HydrophobicContact CG-CE1 4.45Å; F10-F262 HydrophobicContact CZ-CE1 4.48Å; F15-F262 HydrophobicContact CD2-CE2 4.07Å; F15-F262 HydrophobicContact CD2-CZ 4.05Å; F15-F262 AromaticContact CE2-CE2 3.92Å; F15-F262 HydrophobicContact CE2-CE2 3.92Å; F15-F262 AromaticContact CE2-CZ 3.8Å; F15-F262 HydrophobicContact CE2-CZ 3.8Å; A259-F262 WeakPolarHBondContact O-CD2 3.38Å; A259-F262 PolarHBondContact O-N 2.95Å; T260-F262 PolarHBondContact O-N 3.43Å |
| 263 | G | 68 | Low | 73.9 | Confident | 46 Ų | 46 | 49.5 Ų | 49.5 | 47% | 0.474 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 106.7 | 2.7 | -178 | 0 | 0 | 0 | 0 | 0 | 115.3 | D9 | D9-G263 CarbonylContact O-C 3.56Å; D9-G263 PolarHBondContact O-N 3.26Å |
| 264 | Q | 65.8 | Low | 72.1 | Confident | 64 Ų | 64 | 50.4 Ų | 50.4 | 30% | 0.299 | 29% | 0.29 | S | S | . | . | trans | -92.1 | 104.2 | 172.9 | -82.9 | -179.2 | 13.1 | 0 | 0 | 110.6 | D9 T260 G266 | D9-Q264 PolarHBondContact O-N 3.21Å; D9-Q264 VanDerWaalsContact O-N 3.12Å; T260-Q264 VanDerWaalsContact O-CG 3.26Å; T260-Q264 WeakPolarHBondContact O-CG 3.38Å; T260-Q264 PolarHBondContact O-NE2 2.96Å; Q264-G266 PolarHBondContact O-N 3.32Å | ||
| 265 | K | 57.5 | Low | 70.4 | Confident | 173 Ų | 173 | 54.3 Ų | 54.3 | 75% | 0.752 | 30% | 0.304 | S | S | * | . | trans | -61.8 | 130.6 | 165.8 | -71.2 | -179.1 | 178.9 | -178.4 | 0 | 109.9 | D9 | D9-K265 HydrophobicContact CB-CG 4.39Å; D9-K265 VanDerWaalsContact OD1-CE 3.23Å; D9-K265 WeakPolarHBondContact OD1-CE 3.29Å; D9-K265 VanDerWaalsContact OD1-CG 3.25Å; D9-K265 WeakPolarHBondContact OD1-CG 3.49Å; D9-K265 WeakPolarHBondContact OD2-CE 3.28Å | ||
| 266 | G | 56 | Low | 68.7 | Low | 56 Ų | 56 | 55.3 Ų | 55.3 | 58% | 0.577 | 31% | 0.305 | S | S | * | . | trans | 116.3 | 64.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | N11 Q264 | N11-G266 PolarHBondContact ND2-O 3.43Å; Q264-G266 PolarHBondContact O-N 3.32Å | ||
| 267 | G | 56.7 | Low | 67.2 | Low | 33 Ų | 33 | 57.7 Ų | 57.7 | 34% | 0.34 | 32% | 0.317 | S | S | . | . | trans | -73.7 | 159.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | H269 | G267-H269 PolarHBondContact O-N 3.22Å; G267-H269 VanDerWaalsContact O-N 3.1Å | ||
| 268 | N | 59 | Low | 65.9 | Low | 71 Ų | 71 | 58.5 Ų | 58.5 | 38% | 0.38 | 32% | 0.319 | S | S | . | . | trans | -63.4 | 111.9 | 169.6 | -178.9 | -5.5 | 0 | 0 | 0 | 109.1 | W270 W271 | N268-W270 PolarHBondContact O-N 3.04Å; N268-W270 PolarHBondContact OD1-N 3.04Å; N268-W271 HydrophobicContact CB-CB 4.49Å; N268-W271 VanDerWaalsContact O-CB 3.26Å; N268-W271 WeakPolarHBondContact O-CB 3.43Å; N268-W271 PolarHBondContact O-N 2.93Å | ||
| 269 | H | 54.5 | Low | 64.4 | Low | 112 Ų | 112 | 57.4 Ų | 57.4 | 52% | 0.519 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -13.3 | 179.7 | -68.4 | -70.8 | 0 | 0 | 0 | 114.1 | E80 G267 | E80-H269 IonicContact OE1-CD2 3.69Å; G267-H269 PolarHBondContact O-N 3.22Å; G267-H269 VanDerWaalsContact O-N 3.1Å |
| 270 | W | 56.5 | Low | 63.2 | Low | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.015 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 11.8 | 175.9 | -76.8 | 81.9 | 0 | 0 | 0 | 114.2 | G61 W65 E80 F81 M84 N268 F272 G273 | G61-W270 WeakPolarHBondContact O-CZ3 3.22Å; W65-W270 HydrophobicContact CB-CH2 4.45Å; W65-W270 AromaticContact CE3-CH2 3.79Å; W65-W270 HydrophobicContact CE3-CH2 3.79Å; W65-W270 HydrophobicContact CE3-CZ2 4.1Å; W65-W270 HydrophobicContact CZ3-CZ2 4.44Å; E80-W270 PolarHBondContact OE2-NE1 3.5Å; F81-W270 HydrophobicContact CD2-CZ3 4.42Å; M84-W270 HydrophobicContact SD-CB 4.01Å; M84-W270 HydrophobicContact SD-CE3 4.29Å; N268-W270 PolarHBondContact O-N 3.04Å; N268-W270 PolarHBondContact OD1-N 3.04Å; W270-F272 PolarHBondContact O-N 3.12Å; W270-G273 PolarHBondContact O-N 3.14Å |
| 271 | W | 62.2 | Low | 62.2 | Low | 35 Ų | 35 | 60 Ų | 60 | 13% | 0.133 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -58.2 | 106.7 | 171.1 | -172 | -106.5 | 0 | 0 | 0 | 109.8 | L16 M53 N268 G273 I274 | L16-W271 HydrophobicContact CD2-CH2 3.8Å; L16-W271 HydrophobicContact CD2-CZ2 3.97Å; M53-W271 HydrophobicContact CB-CH2 4.48Å; N268-W271 HydrophobicContact CB-CB 4.49Å; N268-W271 VanDerWaalsContact O-CB 3.26Å; N268-W271 WeakPolarHBondContact O-CB 3.43Å; N268-W271 PolarHBondContact O-N 2.93Å; W271-G273 PolarHBondContact O-N 3.04Å; W271-G273 VanDerWaalsContact O-N 3.16Å; W271-I274 VanDerWaalsContact O-CB 3.31Å; W271-I274 WeakPolarHBondContact O-CB 3.33Å; W271-I274 WeakPolarHBondContact O-CG1 3.4Å; W271-I274 PolarHBondContact O-N 3.26Å |
| 272 | F | 59.6 | Low | 61.3 | Low | 56 Ų | 56 | 62.3 Ų | 62.3 | 25% | 0.246 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | 54.3 | 23.4 | -169.1 | -63.2 | -84.4 | 0 | 0 | 0 | 115.1 | M53 V56 V60 W270 I274 | M53-F272 HydrophobicContact SD-CZ 3.86Å; V56-F272 HydrophobicContact CB-CE1 4.28Å; V56-F272 HydrophobicContact CG1-CD1 4.47Å; V56-F272 HydrophobicContact CG1-CE1 3.81Å; V60-F272 WeakPolarHBondContact CG1-O 3.23Å; W270-F272 PolarHBondContact O-N 3.12Å; F272-I274 HydrophobicContact CB-CD1 3.85Å; F272-I274 HydrophobicContact CB-CG1 4.03Å; F272-I274 PolarHBondContact O-N 3.23Å |
| 273 | G | 56.9 | Low | 60.6 | Low | 15 Ų | 15 | 61.8 Ų | 61.8 | 16% | 0.155 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | 65 | 15.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114 | W270 W271 R275 | W270-G273 PolarHBondContact O-N 3.14Å; W271-G273 PolarHBondContact O-N 3.04Å; W271-G273 VanDerWaalsContact O-N 3.16Å; G273-R275 PolarHBondContact O-N 3.23Å |
| 274 | I | 58.7 | Low | 60.4 | Low | 20 Ų | 20 | 64.7 Ų | 64.7 | 10% | 0.103 | 33% | 0.328 | C | S | . | . | trans | -77.7 | 103.6 | 178 | -58.7 | 162.6 | 0 | 0 | 0 | 107.8 | W271 F272 K276 F278 F281 | W271-I274 VanDerWaalsContact O-CB 3.31Å; W271-I274 WeakPolarHBondContact O-CB 3.33Å; W271-I274 WeakPolarHBondContact O-CG1 3.4Å; W271-I274 PolarHBondContact O-N 3.26Å; F272-I274 HydrophobicContact CB-CD1 3.85Å; F272-I274 HydrophobicContact CB-CG1 4.03Å; F272-I274 PolarHBondContact O-N 3.23Å; I274-K276 HydrophobicContact CG2-CB 4.35Å; I274-K276 WeakPolarHBondContact CG2-O 3.37Å; I274-K276 PolarHBondContact O-N 3.13Å; I274-F278 HydrophobicContact CD1-CD2 4.36Å; I274-F281 HydrophobicContact CD1-CD1 3.51Å; I274-F281 HydrophobicContact CD1-CD2 4.37Å; I274-F281 HydrophobicContact CD1-CE1 3.3Å; I274-F281 HydrophobicContact CD1-CE2 4.21Å; I274-F281 HydrophobicContact CD1-CG 4.02Å; I274-F281 HydrophobicContact CD1-CZ 3.65Å; I274-F281 HydrophobicContact CG1-CD1 4.2Å; I274-F281 HydrophobicContact CG1-CD2 4.16Å; I274-F281 HydrophobicContact CG1-CE1 3.97Å; I274-F281 HydrophobicContact CG1-CE2 3.94Å; I274-F281 HydrophobicContact CG1-CG 4.25Å; I274-F281 HydrophobicContact CG1-CZ 3.8Å; I274-F281 HydrophobicContact CG2-CB 3.74Å; I274-F281 HydrophobicContact CG2-CD1 4.3Å; I274-F281 HydrophobicContact CG2-CD2 3.83Å; I274-F281 HydrophobicContact CG2-CE2 4.44Å; I274-F281 HydrophobicContact CG2-CG 3.72Å | ||
| 275 | R | 58.9 | Low | 60.5 | Low | 96 Ų | 96 | 65.8 Ų | 65.8 | 36% | 0.362 | 34% | 0.335 | S | S | . | . | trans | -82.7 | 16.3 | 178 | -60.8 | -173.5 | 179.4 | -159.8 | -2.3 | 114 | Y71 G273 | Y71-R275 VanDerWaalsContact CD1-NH2 3.29Å; Y71-R275 VanDerWaalsContact CE1-CZ 3.44Å; Y71-R275 VanDerWaalsContact CE1-NH2 3.3Å; Y71-R275 VanDerWaalsContact CZ-CZ 3.43Å; G273-R275 PolarHBondContact O-N 3.23Å | ||
| 276 | K | 58.2 | Low | 60.8 | Low | 106 Ų | 106 | 62.3 Ų | 62.3 | 46% | 0.461 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -123.6 | 162.7 | -179.3 | -66.4 | -174.7 | -179.3 | 179.1 | 0 | 109.7 | I274 F278 E284 | I274-K276 HydrophobicContact CG2-CB 4.35Å; I274-K276 WeakPolarHBondContact CG2-O 3.37Å; I274-K276 PolarHBondContact O-N 3.13Å; K276-F278 PolarHBondContact O-N 2.8Å; K276-E284 IonicContact NZ-OE1 2.66Å; K276-E284 PolarHBondContact NZ-OE1 2.78Å; K276-E284 IonicContact NZ-OE2 3.31Å; K276-E284 PolarHBondContact NZ-OE2 3.42Å |
| 277 | D | 61.8 | Low | 61.1 | Low | 73 Ų | 73 | 63.4 Ų | 63.4 | 39% | 0.39 | 32% | 0.316 | S | S | . | . | trans | -56.1 | 129.6 | 170.2 | -63.6 | -33.1 | 0 | 0 | 0 | 109.5 | C279 Q280 F281 | D277-C279 PolarHBondContact O-N 2.92Å; D277-C279 VanDerWaalsContact O-N 3.15Å; D277-Q280 HydrophobicContact CB-CB 4.29Å; D277-Q280 HydrophobicContact CB-CG 4.04Å; D277-Q280 WeakPolarHBondContact O-CA 3.43Å; D277-Q280 WeakPolarHBondContact O-CB 3.37Å; D277-Q280 PolarHBondContact O-N 3.42Å; D277-Q280 PolarHBondContact OD2-NE2 3.4Å; D277-F281 PolarHBondContact O-N 3.14Å | ||
| 278 | F | 63.2 | Low | 61.1 | Low | 55 Ų | 55 | 69 Ų | 69 | 24% | 0.241 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -56.9 | -35.7 | -173.4 | 177.5 | -105.9 | 0 | 0 | 0 | 112.9 | F10 P12 I274 K276 F281 L282 | F10-F278 HydrophobicContact CD1-CD1 4.36Å; F10-F278 HydrophobicContact CE1-CD1 4.44Å; F10-F278 HydrophobicContact CE1-CE1 4.49Å; P12-F278 HydrophobicContact CB-CD1 3.6Å; P12-F278 HydrophobicContact CB-CD2 4.39Å; P12-F278 HydrophobicContact CB-CE1 3.72Å; P12-F278 HydrophobicContact CB-CG 3.94Å; P12-F278 HydrophobicContact CB-CZ 4.2Å; P12-F278 HydrophobicContact CG-CB 3.69Å; P12-F278 HydrophobicContact CG-CD1 3.71Å; P12-F278 HydrophobicContact CG-CD2 4.04Å; P12-F278 HydrophobicContact CG-CE1 4.28Å; P12-F278 HydrophobicContact CG-CG 3.55Å; I274-F278 HydrophobicContact CD1-CD2 4.36Å; K276-F278 PolarHBondContact O-N 2.8Å; F278-F281 PolarHBondContact O-N 3.11Å; F278-L282 HydrophobicContact CD1-CD1 3.67Å; F278-L282 HydrophobicContact CD1-CG 4.39Å; F278-L282 HydrophobicContact CE1-CD1 3.22Å; F278-L282 HydrophobicContact CE1-CG 4.04Å; F278-L282 HydrophobicContact CG-CD1 4.49Å; F278-L282 HydrophobicContact CZ-CD1 3.7Å; F278-L282 HydrophobicContact CZ-CG 4.09Å; F278-L282 WeakPolarHBondContact O-CB 3.38Å; F278-L282 PolarHBondContact O-N 3.04Å |
| 279 | C | 60.7 | Low | 61.1 | Low | 20 Ų | 20 | 70.2 Ų | 70.2 | 14% | 0.135 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -69.6 | -34.1 | 175.4 | -70.7 | 0 | 0 | 0 | 0 | 112.6 | F7 D277 L282 L283 | F7-C279 WeakPolarHBondContact O-CB 3.38Å; F7-C279 PolarHBondContact O-SG 3.24Å; D277-C279 PolarHBondContact O-N 2.92Å; D277-C279 VanDerWaalsContact O-N 3.15Å; C279-L282 PolarHBondContact O-N 3.22Å; C279-L283 WeakPolarHBondContact O-CB 3.44Å; C279-L283 WeakPolarHBondContact O-CD1 3.3Å; C279-L283 WeakPolarHBondContact O-CG 3.47Å; C279-L283 PolarHBondContact O-N 3.27Å |
| 280 | Q | 64.4 | Low | 61.4 | Low | 83 Ų | 83 | 72.9 Ų | 72.9 | 39% | 0.388 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67 | -42.4 | 171.4 | -68.1 | 177.5 | 3.7 | 0 | 0 | 111 | D277 L282 L283 E284 | D277-Q280 HydrophobicContact CB-CB 4.29Å; D277-Q280 HydrophobicContact CB-CG 4.04Å; D277-Q280 WeakPolarHBondContact O-CA 3.43Å; D277-Q280 WeakPolarHBondContact O-CB 3.37Å; D277-Q280 PolarHBondContact O-N 3.42Å; D277-Q280 PolarHBondContact OD2-NE2 3.4Å; Q280-L282 PolarHBondContact O-N 3.08Å; Q280-L283 PolarHBondContact O-N 3.05Å; Q280-E284 WeakPolarHBondContact O-CG 3.39Å; Q280-E284 PolarHBondContact O-N 3.22Å |
| 281 | F | 64.9 | Low | 61.6 | Low | 65 Ų | 65 | 79.6 Ų | 79.6 | 29% | 0.285 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 174.4 | 175.4 | -102.2 | 0 | 0 | 0 | 112.4 | I274 D277 F278 E284 I285 | I274-F281 HydrophobicContact CD1-CD1 3.51Å; I274-F281 HydrophobicContact CD1-CD2 4.37Å; I274-F281 HydrophobicContact CD1-CE1 3.3Å; I274-F281 HydrophobicContact CD1-CE2 4.21Å; I274-F281 HydrophobicContact CD1-CG 4.02Å; I274-F281 HydrophobicContact CD1-CZ 3.65Å; I274-F281 HydrophobicContact CG1-CD1 4.2Å; I274-F281 HydrophobicContact CG1-CD2 4.16Å; I274-F281 HydrophobicContact CG1-CE1 3.97Å; I274-F281 HydrophobicContact CG1-CE2 3.94Å; I274-F281 HydrophobicContact CG1-CG 4.25Å; I274-F281 HydrophobicContact CG1-CZ 3.8Å; I274-F281 HydrophobicContact CG2-CB 3.74Å; I274-F281 HydrophobicContact CG2-CD1 4.3Å; I274-F281 HydrophobicContact CG2-CD2 3.83Å; I274-F281 HydrophobicContact CG2-CE2 4.44Å; I274-F281 HydrophobicContact CG2-CG 3.72Å; D277-F281 PolarHBondContact O-N 3.14Å; F278-F281 PolarHBondContact O-N 3.11Å; F281-E284 PolarHBondContact O-N 3.46Å; F281-I285 HydrophobicContact CD1-CD1 3.68Å; F281-I285 HydrophobicContact CD2-CD1 3.94Å; F281-I285 HydrophobicContact CE1-CD1 3.18Å; F281-I285 HydrophobicContact CE2-CD1 3.48Å; F281-I285 VanDerWaalsContact CE2-CD1 3.48Å; F281-I285 HydrophobicContact CE2-CG1 4.41Å; F281-I285 HydrophobicContact CG-CD1 4.06Å; F281-I285 HydrophobicContact CZ-CD1 3.1Å; F281-I285 HydrophobicContact CZ-CG1 4.4Å; F281-I285 WeakPolarHBondContact O-CG1 3.12Å; F281-I285 PolarHBondContact O-N 3.01Å |
| 282 | L | 64.3 | Low | 61.6 | Low | 48 Ų | 48 | 86.8 Ų | 86.8 | 25% | 0.251 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 174.2 | -85.5 | 170.4 | 0 | 0 | 0 | 112.3 | F278 C279 Q280 E284 I285 F286 | F278-L282 HydrophobicContact CD1-CD1 3.67Å; F278-L282 HydrophobicContact CD1-CG 4.39Å; F278-L282 HydrophobicContact CE1-CD1 3.22Å; F278-L282 HydrophobicContact CE1-CG 4.04Å; F278-L282 HydrophobicContact CG-CD1 4.49Å; F278-L282 HydrophobicContact CZ-CD1 3.7Å; F278-L282 HydrophobicContact CZ-CG 4.09Å; F278-L282 WeakPolarHBondContact O-CB 3.38Å; F278-L282 PolarHBondContact O-N 3.04Å; C279-L282 PolarHBondContact O-N 3.22Å; Q280-L282 PolarHBondContact O-N 3.08Å; L282-E284 VanDerWaalsContact C-N 3.28Å; L282-E284 PolarHBondContact O-N 3.19Å; L282-I285 PolarHBondContact O-N 3.48Å; L282-F286 HydrophobicContact CD2-CD2 3.67Å; L282-F286 HydrophobicContact CD2-CE2 3.5Å; L282-F286 WeakPolarHBondContact O-CB 3.25Å; L282-F286 WeakPolarHBondContact O-CD2 3.45Å; L282-F286 PolarHBondContact O-N 3.21Å |
| 283 | L | 64.8 | Low | 61.4 | Low | 66 Ų | 66 | 86.8 Ų | 86.8 | 35% | 0.346 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67.2 | -28.2 | 176.9 | -70.1 | 167 | 0 | 0 | 0 | 112.7 | C279 Q280 L289 | C279-L283 WeakPolarHBondContact O-CB 3.44Å; C279-L283 WeakPolarHBondContact O-CD1 3.3Å; C279-L283 WeakPolarHBondContact O-CG 3.47Å; C279-L283 PolarHBondContact O-N 3.27Å; Q280-L283 PolarHBondContact O-N 3.05Å; L283-L289 HydrophobicContact CD2-CB 3.99Å |
| 284 | E | 64.8 | Low | 61.6 | Low | 108 Ų | 108 | 92.3 Ų | 92.3 | 51% | 0.505 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -74.1 | -35.3 | 173.5 | -76.2 | 177.8 | -176 | 0 | 0 | 112.2 | K276 Q280 F281 L282 | K276-E284 IonicContact NZ-OE1 2.66Å; K276-E284 PolarHBondContact NZ-OE1 2.78Å; K276-E284 IonicContact NZ-OE2 3.31Å; K276-E284 PolarHBondContact NZ-OE2 3.42Å; Q280-E284 WeakPolarHBondContact O-CG 3.39Å; Q280-E284 PolarHBondContact O-N 3.22Å; F281-E284 PolarHBondContact O-N 3.46Å; L282-E284 VanDerWaalsContact C-N 3.28Å; L282-E284 PolarHBondContact O-N 3.19Å |
| 285 | I | 67.3 | Low | 61.4 | Low | 87 Ų | 87 | 96 Ų | 96 | 45% | 0.446 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -83 | -35.4 | -179.6 | -69.5 | 170.2 | 0 | 0 | 0 | 112.5 | F281 L282 P287 | F281-I285 HydrophobicContact CD1-CD1 3.68Å; F281-I285 HydrophobicContact CD2-CD1 3.94Å; F281-I285 HydrophobicContact CE1-CD1 3.18Å; F281-I285 HydrophobicContact CE2-CD1 3.48Å; F281-I285 VanDerWaalsContact CE2-CD1 3.48Å; F281-I285 HydrophobicContact CE2-CG1 4.41Å; F281-I285 HydrophobicContact CG-CD1 4.06Å; F281-I285 HydrophobicContact CZ-CD1 3.1Å; F281-I285 HydrophobicContact CZ-CG1 4.4Å; F281-I285 WeakPolarHBondContact O-CG1 3.12Å; F281-I285 PolarHBondContact O-N 3.01Å; L282-I285 PolarHBondContact O-N 3.48Å; I285-P287 WeakPolarHBondContact O-CD 3.47Å |
| 286 | F | 63.7 | Low | 60.8 | Low | 100 Ų | 100 | 96.6 Ų | 96.6 | 44% | 0.439 | 48% | 0.483 | S | S | . | . | trans | -107.6 | 90.6 | -177.7 | -65.4 | -73.3 | 0 | 0 | 0 | 110.4 | L282 F288 L289 R290 | L282-F286 HydrophobicContact CD2-CD2 3.67Å; L282-F286 HydrophobicContact CD2-CE2 3.5Å; L282-F286 WeakPolarHBondContact O-CB 3.25Å; L282-F286 WeakPolarHBondContact O-CD2 3.45Å; L282-F286 PolarHBondContact O-N 3.21Å; F286-F288 PolarHBondContact O-N 2.97Å; F286-F288 VanDerWaalsContact O-N 3.16Å; F286-L289 HydrophobicContact CB-CB 4.22Å; F286-L289 HydrophobicContact CB-CD1 4.24Å; F286-L289 PolarHBondContact O-N 3.08Å; F286-R290 PolarHBondContact O-N 3.49Å | ||
| 287 | P | 61.3 | Low | 60.2 | Low | 78 Ų | 78 | 101.2 Ų | 101.2 | 51% | 0.506 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.7 | -30 | -178.3 | 23.1 | -33.2 | 0 | 0 | 0 | 112.5 | I285 R290 E291 | I285-P287 WeakPolarHBondContact O-CD 3.47Å; P287-R290 WeakPolarHBondContact O-CB 3.47Å; P287-R290 PolarHBondContact O-N 3.46Å; P287-E291 PolarHBondContact O-N 3.36Å |
| 288 | F | 58.4 | Low | 59.2 | Low | 152 Ų | 152 | 104.6 Ų | 104.6 | 67% | 0.667 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.3 | -40.4 | 175.5 | -57.5 | -70.8 | 0 | 0 | 0 | 112.9 | F286 R290 E291 Y292 | F286-F288 PolarHBondContact O-N 2.97Å; F286-F288 VanDerWaalsContact O-N 3.16Å; F288-R290 VanDerWaalsContact C-N 3.31Å; F288-R290 PolarHBondContact O-N 3Å; F288-E291 PolarHBondContact O-N 2.87Å; F288-Y292 WeakPolarHBondContact O-CD2 3.48Å; F288-Y292 PolarHBondContact O-N 3.2Å |
| 289 | L | 59 | Low | 58 | Low | 95 Ų | 95 | 109.6 Ų | 109.6 | 50% | 0.497 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -70 | -30.8 | 176.4 | -96.7 | 74.8 | 0 | 0 | 0 | 111.8 | L283 F286 E291 Y292 G293 | L283-L289 HydrophobicContact CD2-CB 3.99Å; F286-L289 HydrophobicContact CB-CB 4.22Å; F286-L289 HydrophobicContact CB-CD1 4.24Å; F286-L289 PolarHBondContact O-N 3.08Å; L289-E291 VanDerWaalsContact C-N 3.3Å; L289-E291 PolarHBondContact O-N 3.16Å; L289-Y292 PolarHBondContact O-N 3.16Å; L289-G293 PolarHBondContact O-N 3.23Å |
| 290 | R | 59.8 | Low | 56.8 | Low | 169 Ų | 169 | 116.2 Ų | 116.2 | 64% | 0.638 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.3 | -38.4 | 175.4 | -173 | 178.1 | 178.9 | 172.4 | 0.1 | 111.9 | F286 P287 F288 G293 N294 | F286-R290 PolarHBondContact O-N 3.49Å; P287-R290 WeakPolarHBondContact O-CB 3.47Å; P287-R290 PolarHBondContact O-N 3.46Å; F288-R290 VanDerWaalsContact C-N 3.31Å; F288-R290 PolarHBondContact O-N 3Å; R290-G293 PolarHBondContact O-N 3.34Å; R290-N294 PolarHBondContact O-N 3.05Å |
| 291 | E | 60.9 | Low | 55.4 | Low | 145 Ų | 145 | 120.3 Ų | 120.3 | 68% | 0.678 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -69.2 | -40.3 | 178.5 | -154.1 | 154 | -154.3 | 0 | 0 | 111.6 | P287 F288 L289 N294 | P287-E291 PolarHBondContact O-N 3.36Å; F288-E291 PolarHBondContact O-N 2.87Å; L289-E291 VanDerWaalsContact C-N 3.3Å; L289-E291 PolarHBondContact O-N 3.16Å; E291-N294 PolarHBondContact O-N 3.1Å |
| 292 | Y | 61.3 | Low | 54 | Low | 186 Ų | 186 | 125.4 Ų | 125.4 | 73% | 0.729 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -67 | -38.4 | 172.4 | -86.8 | -84.1 | 0 | 0 | 0 | 113.6 | F288 L289 N294 I295 | F288-Y292 WeakPolarHBondContact O-CD2 3.48Å; F288-Y292 PolarHBondContact O-N 3.2Å; L289-Y292 PolarHBondContact O-N 3.16Å; Y292-N294 VanDerWaalsContact C-N 3.25Å; Y292-N294 PolarHBondContact O-N 3.11Å; Y292-I295 PolarHBondContact O-N 3.35Å |
| 293 | G | 55.8 | Low | 52.5 | Low | 56 Ų | 56 | 130.5 Ų | 130.5 | 58% | 0.577 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -72.7 | -14.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L289 R290 | L289-G293 PolarHBondContact O-N 3.23Å; R290-G293 PolarHBondContact O-N 3.34Å |
| 294 | N | 60.6 | Low | 50.8 | Low | 131 Ų | 131 | 134.9 Ų | 134.9 | 70% | 0.701 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | 0.8 | 179.7 | -147.9 | 37.3 | 0 | 0 | 0 | 113.3 | R290 E291 Y292 S296 | R290-N294 PolarHBondContact O-N 3.05Å; E291-N294 PolarHBondContact O-N 3.1Å; Y292-N294 VanDerWaalsContact C-N 3.25Å; Y292-N294 PolarHBondContact O-N 3.11Å; N294-S296 PolarHBondContact O-N 3.2Å |
| 295 | I | 54.9 | Low | 49.4 | Very low | 97 Ų | 97 | 137.7 Ų | 137.7 | 50% | 0.497 | 68% | 0.682 | S | S | . | * | trans | -89 | 89.3 | 174.4 | -53.7 | 171.3 | 0 | 0 | 0 | 107.8 | Y292 Y297 | Y292-I295 PolarHBondContact O-N 3.35Å; I295-Y297 HydrophobicContact CG2-CD2 4.22Å; I295-Y297 HydrophobicContact CG2-CE2 3.83Å | ||
| 296 | S | 46.2 | Very low | 47.7 | Very low | 109 Ų | 109 | 141.2 Ų | 141.2 | 76% | 0.762 | 70% | 0.696 | S | S | * | * | trans | -84.9 | 115.2 | 164.6 | 53.8 | 0 | 0 | 0 | 0 | 108.8 | N294 D298 | N294-S296 PolarHBondContact O-N 3.2Å; S296-D298 PolarHBondContact O-N 2.77Å | ||
| 297 | Y | 46.1 | Very low | 46.1 | Very low | 203 Ų | 203 | 143.1 Ų | 143.1 | 80% | 0.796 | 72% | 0.716 | S | S | * | * | trans | -72.8 | 108 | 167.1 | -73.4 | -89.3 | 0 | 0 | 0 | 108.2 | I295 L299 | I295-Y297 HydrophobicContact CG2-CD2 4.22Å; I295-Y297 HydrophobicContact CG2-CE2 3.83Å; Y297-L299 PolarHBondContact O-N 3.31Å | ||
| 298 | D | 40.4 | Very low | 44.8 | Very low | 143 Ų | 143 | 148.2 Ų | 148.2 | 77% | 0.765 | 73% | 0.733 | S | S | * | * | trans | -79.1 | 104.4 | 163.6 | -136.5 | -9 | 0 | 0 | 0 | 106.5 | S296 H300 | S296-D298 PolarHBondContact O-N 2.77Å; D298-H300 PolarHBondContact O-N 3.43Å | ||
| 299 | L | 39.3 | Very low | 43.4 | Very low | 160 Ų | 160 | 149.5 Ų | 149.5 | 84% | 0.838 | 74% | 0.741 | S | S | * | * | trans | -74.2 | 85.9 | 168.5 | -104.1 | 144.3 | 0 | 0 | 0 | 105.9 | Y297 H301 | Y297-L299 PolarHBondContact O-N 3.31Å; L299-H301 PolarHBondContact O-N 3.3Å | ||
| 300 | H | 35.1 | Very low | 42 | Very low | 159 Ų | 159 | 151.5 Ų | 151.5 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | trans | -55.9 | 106 | 164.9 | -108.1 | -75.9 | 0 | 0 | 0 | 107 | D298 E302 | D298-H300 PolarHBondContact O-N 3.43Å; H300-E302 PolarHBondContact O-N 3.06Å; H300-E302 VanDerWaalsContact O-N 3.13Å | ||
| 301 | H | 35.5 | Very low | 41 | Very low | 170 Ų | 170 | 149 Ų | 149 | 79% | 0.787 | 76% | 0.763 | S | S | * | * | trans | -65.7 | 107.2 | 159.2 | -119.5 | -68.3 | 0 | 0 | 0 | 105 | L299 D303 | L299-H301 PolarHBondContact O-N 3.3Å; H301-D303 VanDerWaalsContact C-N 3.31Å; H301-D303 PolarHBondContact O-N 3.37Å | ||
| 302 | E | 33.5 | Very low | 39.5 | Very low | 172 Ų | 172 | 148.9 Ų | 148.9 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -61.2 | 97.3 | 165.5 | -72.5 | 178.3 | 154.5 | 0 | 0 | 107.1 | H300 N304 | H300-E302 PolarHBondContact O-N 3.06Å; H300-E302 VanDerWaalsContact O-N 3.13Å; E302-N304 PolarHBondContact O-N 3.37Å | ||
| 303 | D | 33.2 | Very low | 38.1 | Very low | 154 Ų | 154 | 145.5 Ų | 145.5 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | -67.9 | 110.5 | 158.7 | -81.2 | -30.9 | 0 | 0 | 0 | 106.3 | H301 E305 | H301-D303 VanDerWaalsContact C-N 3.31Å; H301-D303 PolarHBondContact O-N 3.37Å; D303-E305 PolarHBondContact O-N 3.45Å | ||
| 304 | N | 30.5 | Very low | 37.1 | Very low | 159 Ų | 159 | 152 Ų | 152 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | trans | -53.8 | 119 | 172.9 | -90.3 | -23.3 | 0 | 0 | 0 | 110.6 | E302 | E302-N304 PolarHBondContact O-N 3.37Š| ||
| 305 | E | 34.6 | Very low | 35.6 | Very low | 166 Ų | 166 | 151.4 Ų | 151.4 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -25 | 139.1 | 138.5 | -75.3 | 173.4 | 170.4 | 0 | 0 | 111.5 | D303 | D303-E305 PolarHBondContact O-N 3.45Š| ||
| 306 | E | 32.1 | Very low | 34.5 | Very low | 162 Ų | 162 | 152.2 Ų | 152.2 | 76% | 0.757 | 80% | 0.803 | S | S | * | * | cis | 176.2 | 138.1 | 43.8 | -117.7 | 163.6 | -163 | 0 | 0 | 105.2 | ||||
| 307 | T | 29.9 | Very low | 34.2 | Very low | 140 Ų | 140 | 157.2 Ų | 157.2 | 86% | 0.859 | 81% | 0.811 | S | S | * | * | trans | -164.3 | 102.9 | 137.9 | -48.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 308 | E | 33.1 | Very low | 33.4 | Very low | 184 Ų | 184 | 155.1 Ų | 155.1 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | -71.8 | 133.3 | 163.3 | -72.3 | -178.5 | 127.9 | 0 | 0 | 110.4 | ||||
| 309 | E | 29.8 | Very low | 32.9 | Very low | 180 Ų | 180 | 152.6 Ų | 152.6 | 84% | 0.841 | 81% | 0.811 | S | S | * | * | trans | -148.9 | 104.2 | 143.5 | -73.6 | -161.5 | 165.5 | 0 | 0 | 110.9 | ||||
| 310 | T | 29.9 | Very low | 32.5 | Very low | 137 Ų | 137 | 151.1 Ų | 151.1 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | trans | 27.2 | 154.8 | 149.2 | 42.1 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 311 | P | 38 | Very low | 32.2 | Very low | 116 Ų | 116 | 151.7 Ų | 151.7 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | trans | -107.2 | 140 | -161.5 | 38.4 | -26.5 | 0 | 0 | 0 | 115.2 | ||||
| 312 | V | 29.1 | Very low | 31.9 | Very low | 143 Ų | 143 | 152.3 Ų | 152.3 | 87% | 0.867 | 82% | 0.817 | S | S | * | * | trans | -153.9 | 160.6 | 165.5 | -132.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 313 | P | 32.1 | Very low | 31.5 | Very low | 114 Ų | 114 | 155.5 Ų | 155.5 | 74% | 0.74 | 82% | 0.822 | S | S | * | * | -109.8 | 161.4 | -118 | 18.8 | 5.6 | 0 | 0 | 0 | 115 | |||||
| 314 | E | 34.8 | Very low | 31.3 | Very low | 194 Ų | 194 | 157.6 Ų | 157.6 | 91% | 0.907 | 82% | 0.823 | S | S | * | * | trans | -63 | 141.7 | 175.2 | -67.1 | -174.1 | 157.4 | 0 | 0 | 113.6 | ||||
| 315 | P | 29.8 | Very low | 31.2 | Very low | 117 Ų | 117 | 159.7 Ų | 159.7 | 76% | 0.76 | 83% | 0.825 | S | S | * | * | -151.5 | -175.7 | 117 | 39.5 | -22.6 | 0 | 0 | 0 | 113.6 | |||||
| 316 | P | 31.6 | Very low | 30.9 | Very low | 114 Ų | 114 | 156.3 Ų | 156.3 | 74% | 0.74 | 83% | 0.825 | S | S | * | * | -109.7 | 168.2 | -68.5 | 35.7 | -21.4 | 0 | 0 | 0 | 112.9 | I318 | P316-I318 PolarHBondContact O-N 3.38Š| |||
| 317 | K | 39.7 | Very low | 30.6 | Very low | 214 Ų | 214 | 159.7 Ų | 159.7 | 93% | 0.93 | 83% | 0.831 | S | S | * | * | trans | -50.2 | 120.8 | 177 | -73.8 | 170.6 | 176.5 | 170.7 | 0 | 113.9 | ||||
| 318 | I | 28.7 | Very low | 30.5 | Very low | 159 Ų | 159 | 159 Ų | 159 | 82% | 0.815 | 83% | 0.827 | S | S | * | * | trans | -134.2 | 129.9 | 156.9 | -56.3 | 178 | 0 | 0 | 0 | 108.3 | P316 | P316-I318 PolarHBondContact O-N 3.38Š| ||
| 319 | A | 30.2 | Very low | 30.2 | Very low | 91 Ų | 91 | 155.5 Ų | 155.5 | 75% | 0.752 | 82% | 0.817 | S | S | * | * | trans | -66 | 141.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 320 | P | 32.1 | Very low | 30.3 | Very low | 129 Ų | 129 | 153.8 Ų | 153.8 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | trans | -89 | 111.8 | 171 | 31.8 | -28.3 | 0 | 0 | 0 | 111.1 | ||||
| 321 | M | 27.1 | Very low | 30.2 | Very low | 170 Ų | 170 | 153.4 Ų | 153.4 | 84% | 0.837 | 81% | 0.81 | S | S | * | * | trans | -73.2 | 139.1 | 157.7 | -107 | -163 | -157.8 | 0 | 0 | 109.9 | ||||
| 322 | F | 29.2 | Very low | 29.9 | Very low | 183 Ų | 183 | 156.2 Ų | 156.2 | 80% | 0.803 | 81% | 0.813 | S | S | * | * | trans | 65.5 | 97 | 160.5 | -81.6 | -90.9 | 0 | 0 | 0 | 120 | ||||
| 323 | R | 26.8 | Very low | 29.8 | Very low | 240 Ų | 240 | 154.9 Ų | 154.9 | 91% | 0.906 | 81% | 0.81 | S | S | * | * | -156.4 | 102.3 | 129.6 | -145.5 | 172.4 | -178.6 | -180 | 1.2 | 111.5 | K325 | R323-K325 PolarHBondContact O-N 3.18Š| |||
| 324 | K | 29 | Very low | 30.1 | Very low | 198 Ų | 198 | 155.2 Ų | 155.2 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | trans | -67 | 119.1 | 168.8 | -81.1 | 176.3 | 174.7 | 175.9 | 0 | 109.2 | ||||
| 325 | K | 27.9 | Very low | 30 | Very low | 203 Ų | 203 | 149 Ų | 149 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | trans | -99.9 | 111.7 | 155.9 | -90.5 | -177.3 | 175.5 | 179.2 | 0 | 107.6 | R323 R327 | R323-K325 PolarHBondContact O-N 3.18Å; K325-R327 PolarHBondContact O-N 3.34Å | ||
| 326 | A | 28 | Very low | 30.2 | Very low | 94 Ų | 94 | 153.3 Ų | 153.3 | 78% | 0.777 | 81% | 0.807 | S | S | * | * | trans | -69.8 | 123.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | V328 | A326-V328 PolarHBondContact O-N 3.47Š| ||
| 327 | R | 25.8 | Very low | 30.1 | Very low | 233 Ų | 233 | 158.5 Ų | 158.5 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | trans | -75 | 104.6 | 170.2 | -167.7 | -177.1 | -157.2 | -169.1 | 5.6 | 107.2 | K325 V329 | K325-R327 PolarHBondContact O-N 3.34Å; R327-V329 PolarHBondContact O-N 3.27Å | ||
| 328 | V | 27.5 | Very low | 29.9 | Very low | 127 Ų | 127 | 154.7 Ų | 154.7 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | trans | -75.9 | 108.3 | 172.2 | 175.6 | 0 | 0 | 0 | 0 | 107.6 | A326 | A326-V328 PolarHBondContact O-N 3.47Š| ||
| 329 | V | 27.6 | Very low | 30.3 | Very low | 110 Ų | 110 | 154.4 Ų | 154.4 | 67% | 0.667 | 81% | 0.807 | S | S | * | * | trans | -77.8 | 120 | 167.8 | 171.2 | 0 | 0 | 0 | 0 | 107 | R327 T331 | R327-V329 PolarHBondContact O-N 3.27Å; V329-T331 PolarHBondContact O-N 3.4Å | ||
| 330 | I | 30.5 | Very low | 30.9 | Very low | 143 Ų | 143 | 155.2 Ų | 155.2 | 73% | 0.733 | 81% | 0.805 | S | S | * | * | trans | -74 | 102.3 | 173.2 | -63 | 171.5 | 0 | 0 | 0 | 107.2 | Q332 | I330-Q332 PolarHBondContact O-N 3.35Š| ||
| 331 | T | 29 | Very low | 31.6 | Very low | 129 Ų | 129 | 154.6 Ų | 154.6 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | -75.3 | 107.2 | 168.3 | 20.4 | 0 | 0 | 0 | 0 | 109.4 | V329 | V329-T331 PolarHBondContact O-N 3.4Š| ||
| 332 | Q | 30.8 | Very low | 32.2 | Very low | 176 Ų | 176 | 152.2 Ų | 152.2 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 130.2 | 150.4 | -77.8 | -178.4 | -24.3 | 0 | 0 | 108 | I330 P334 | I330-Q332 PolarHBondContact O-N 3.35Å; Q332-P334 WeakPolarHBondContact O-CD 3.45Å |
| 333 | S | 27.8 | Very low | 32.7 | Very low | 115 Ų | 115 | 152.9 Ų | 152.9 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 124.9 | 173.6 | 49.9 | 0 | 0 | 0 | 0 | 111.5 | ||
| 334 | P | 37.7 | Very low | 33.1 | Very low | 121 Ų | 121 | 148.7 Ų | 148.7 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -92 | 136.9 | 164.8 | 26.7 | -14.9 | 0 | 0 | 0 | 110.6 | Q332 | Q332-P334 WeakPolarHBondContact O-CD 3.45Š|
| 335 | G | 32.3 | Very low | 33.5 | Very low | 63 Ų | 63 | 146.8 Ų | 146.8 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 148.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y337 | G335-Y337 PolarHBondContact O-N 3.18Š|
| 336 | K | 34.6 | Very low | 34.1 | Very low | 207 Ų | 207 | 143.6 Ų | 143.6 | 90% | 0.9 | 79% | 0.786 | S | S | * | * | trans | -53.8 | 113.2 | -176.8 | -69.6 | 172.3 | 174.9 | 177.1 | 0 | 112.3 | ||||
| 337 | Y | 30.1 | Very low | 34.7 | Very low | 223 Ų | 223 | 148 Ų | 148 | 88% | 0.875 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 116.8 | 151.2 | -81.5 | -89.1 | 0 | 0 | 0 | 107.9 | G335 L339 | G335-Y337 PolarHBondContact O-N 3.18Å; Y337-L339 PolarHBondContact O-N 3.49Å |
| 338 | V | 36 | Very low | 35.3 | Very low | 135 Ų | 135 | 145 Ų | 145 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 116.2 | 171.9 | 175.9 | 0 | 0 | 0 | 0 | 107.4 | ||
| 339 | L | 37.4 | Very low | 35.9 | Very low | 153 Ų | 153 | 144.6 Ų | 144.6 | 80% | 0.801 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 139.7 | 168.4 | -110.3 | 91.6 | 0 | 0 | 0 | 109.6 | Y337 | Y337-L339 PolarHBondContact O-N 3.49Š|
| 340 | P | 42.2 | Very low | 36.5 | Very low | 108 Ų | 108 | 150.9 Ų | 150.9 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 149.8 | 164.6 | 29.7 | -30.9 | 0 | 0 | 0 | 109.8 | ||
| 341 | P | 46.8 | Very low | 36.8 | Very low | 115 Ų | 115 | 151.3 Ų | 151.3 | 75% | 0.747 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 150 | -178.8 | 26 | -32.9 | 0 | 0 | 0 | 111.6 | ||
| 342 | P | 40.2 | Very low | 37.3 | Very low | 121 Ų | 121 | 152.5 Ų | 152.5 | 79% | 0.786 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 138 | -178.8 | 25.5 | -31.8 | 0 | 0 | 0 | 110.8 | L344 | P342-L344 PolarHBondContact O-N 3.22Š|
| 343 | K | 38.8 | Very low | 37.6 | Very low | 197 Ų | 197 | 151.2 Ų | 151.2 | 86% | 0.857 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -57 | 121.7 | 171.9 | -71.7 | -177.7 | 176.8 | -179.7 | 0 | 109 | N345 | K343-N345 PolarHBondContact O-N 3.34Å; K343-N345 VanDerWaalsContact O-N 3.15Å |
| 344 | L | 34.7 | Very low | 38.2 | Very low | 152 Ų | 152 | 153.3 Ų | 153.3 | 80% | 0.796 | 83% | 0.825 | S | S | * | * | trans | -63.3 | 108.6 | 164.8 | -133.7 | 90.5 | 0 | 0 | 0 | 107.2 | P342 I346 | P342-L344 PolarHBondContact O-N 3.22Å; L344-I346 HydrophobicContact CD2-CD1 4.43Å; L344-I346 HydrophobicContact CD2-CG1 4.13Å; L344-I346 PolarHBondContact O-N 3.15Å | ||
| 345 | N | 38.4 | Very low | 38.2 | Very low | 157 Ų | 157 | 155.3 Ų | 155.3 | 84% | 0.84 | 83% | 0.828 | S | S | * | * | trans | -76.2 | 108.4 | 163.4 | -87.3 | -18.7 | 0 | 0 | 0 | 106.9 | K343 | K343-N345 PolarHBondContact O-N 3.34Å; K343-N345 VanDerWaalsContact O-N 3.15Å | ||
| 346 | I | 40.8 | Very low | 38.6 | Very low | 136 Ų | 136 | 161.5 Ų | 161.5 | 70% | 0.697 | 84% | 0.84 | S | S | * | * | trans | -88.7 | 109.4 | 165.4 | -63.5 | 172.3 | 0 | 0 | 0 | 105.6 | L344 M348 | L344-I346 HydrophobicContact CD2-CD1 4.43Å; L344-I346 HydrophobicContact CD2-CG1 4.13Å; L344-I346 PolarHBondContact O-N 3.15Å; I346-M348 PolarHBondContact O-N 3.42Å | ||
| 347 | E | 39.5 | Very low | 38.9 | Very low | 187 Ų | 187 | 158.2 Ų | 158.2 | 87% | 0.874 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -65 | 121.7 | 161.4 | -81.2 | 174.6 | 155.6 | 0 | 0 | 107.9 | ||
| 348 | M | 37.7 | Very low | 39.6 | Very low | 169 Ų | 169 | 153.2 Ų | 153.2 | 83% | 0.833 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 133.6 | 163.6 | -76.7 | 179.7 | 62.9 | 0 | 0 | 108 | I346 | I346-M348 PolarHBondContact O-N 3.42Š|
| 349 | P | 41.2 | Very low | 39.9 | Very low | 119 Ų | 119 | 154.8 Ų | 154.8 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 153.5 | 169.4 | 31.4 | -31.1 | 0 | 0 | 0 | 110.3 | ||
| 350 | D | 40.9 | Very low | 40.1 | Very low | 243 Ų | 243 | 154.9 Ų | 154.9 | 100% | 1.299 | 84% | 0.837 | S | S | * | * | trans | -46.3 | 0 | -169.8 | -60.5 | -48.5 | 0 | 0 | 0 | 117.2 |
Retrieved 350 of 350 residues in 2350.1 ms
(Link to these results)