| 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 | 82.4 | Confident | 92 | Very high | 144 Ų | 144 | 74.4 Ų | 74.4 | 71% | 0.709 | 37% | 0.37 | S | S | * | . | 0 | -50.5 | 0 | -72.7 | -56.3 | -76.2 | 0 | 0 | 112.1 | A3 M4 H5 | M1-A3 PolarHBondContact O-N 3.47Å; M1-M4 WeakPolarHBondContact O-CB 3.42Å; M1-M4 PolarHBondContact O-N 2.93Å; M1-H5 PolarHBondContact O-N 2.99Å | |||
| 2 | E | 87.1 | Confident | 92.3 | Very high | 125 Ų | 125 | 68.3 Ų | 68.3 | 58% | 0.584 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -52.5 | -50 | 179.7 | -65.9 | 175.8 | 172.9 | 0 | 0 | 114 | M4 H5 T6 W83 L89 | E2-M4 PolarHBondContact O-N 3.46Å; E2-H5 CarbonylContact O-C 3.58Å; E2-H5 WeakPolarHBondContact O-CA 3.41Å; E2-H5 WeakPolarHBondContact O-CB 3.32Å; E2-H5 PolarHBondContact O-N 3.34Å; E2-T6 PolarHBondContact O-N 3.34Å; E2-T6 PolarHBondContact O-OG1 2.9Å; E2-T6 VanDerWaalsContact O-OG1 3.05Å; E2-W83 HydrophobicContact CB-CZ2 4.49Å; E2-L89 HydrophobicContact CB-CD1 4.44Å |
| 3 | A | 89.1 | Confident | 92.6 | Very high | 71 Ų | 71 | 64.4 Ų | 64.4 | 59% | 0.587 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -57.9 | -34 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | M1 K7 | M1-A3 PolarHBondContact O-N 3.47Å; A3-K7 WeakPolarHBondContact O-CG 3.27Å; A3-K7 PolarHBondContact O-N 3.19Å; A3-K7 VanDerWaalsContact O-N 3.13Å |
| 4 | M | 91.7 | Very high | 92.9 | Very high | 97 Ų | 97 | 69.6 Ų | 69.6 | 48% | 0.478 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -72.1 | -39.7 | 175.4 | -69.9 | -179.6 | 67.4 | 0 | 0 | 111.5 | M1 E2 G8 H170 | M1-M4 WeakPolarHBondContact O-CB 3.42Å; M1-M4 PolarHBondContact O-N 2.93Å; E2-M4 PolarHBondContact O-N 3.46Å; M4-G8 PolarHBondContact O-N 3.48Å; M4-H170 HydrophobicContact CE-CB 3.63Å |
| 5 | H | 93.2 | Very high | 93.1 | Very high | 9 Ų | 9 | 66.4 Ų | 66.4 | 4% | 0.042 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66 | -46.8 | 175.8 | -68 | -179.6 | 0 | 0 | 0 | 111 | M1 E2 K7 G8 I9 W83 F168 H170 | M1-H5 PolarHBondContact O-N 2.99Å; E2-H5 CarbonylContact O-C 3.58Å; E2-H5 WeakPolarHBondContact O-CA 3.41Å; E2-H5 WeakPolarHBondContact O-CB 3.32Å; E2-H5 PolarHBondContact O-N 3.34Å; H5-K7 PolarHBondContact O-N 3.47Å; H5-G8 CarbonylContact O-C 3.54Å; H5-G8 WeakPolarHBondContact O-CA 3.45Å; H5-G8 PolarHBondContact O-N 2.91Å; H5-I9 WeakPolarHBondContact O-CG1 3.33Å; H5-I9 PolarHBondContact O-N 3.37Å; H5-W83 HydrophobicContact CB-CD2 3.79Å; H5-W83 HydrophobicContact CB-CE3 3.76Å; H5-W83 HydrophobicContact CB-CH2 3.39Å; H5-W83 HydrophobicContact CB-CZ2 3.43Å; H5-W83 VanDerWaalsContact CB-CZ2 3.43Å; H5-W83 HydrophobicContact CB-CZ3 3.54Å; H5-W83 AromaticContact CG-CE2 3.93Å; H5-W83 AromaticContact ND1-CD1 3.71Å; H5-W83 AromaticContact ND1-CD2 3.87Å; H5-W83 AromaticContact ND1-CE2 3.44Å; H5-W83 AromaticContact ND1-CZ2 3.96Å; H5-W83 AromaticContact ND1-NE1 3.32Å; H5-W83 PolarHBondContact ND1-NE1 3.23Å; H5-F168 HydrophobicContact CB-CD1 4.35Å; H5-F168 HydrophobicContact CB-CE1 3.7Å; H5-F168 HydrophobicContact CB-CE2 4.34Å; H5-F168 HydrophobicContact CB-CZ 3.69Å; H5-F168 AromaticContact CD2-CD2 3.79Å; H5-F168 AromaticContact CD2-CE2 3.77Å; H5-F168 AromaticContact CD2-CZ 3.99Å; H5-F168 AromaticContact CG-CE2 3.82Å; H5-F168 AromaticContact CG-CZ 3.66Å; H5-F168 AromaticContact ND1-CE2 3.99Å; H5-F168 AromaticContact NE2-CD2 3.97Å; H5-F168 AromaticContact NE2-CE2 3.95Å; H5-F168 WeakPolarHBondContact O-CE1 2.81Å; H5-H170 AromaticContact CD2-CE1 3.67Å; H5-H170 AromaticContact NE2-CE1 3.61Å |
| 6 | T | 93 | Very high | 93.2 | Very high | 32 Ų | 32 | 62.9 Ų | 62.9 | 20% | 0.196 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -54.6 | -50.2 | 175.2 | -56.5 | 0 | 0 | 0 | 0 | 111.4 | E2 G8 I9 W10 F90 | E2-T6 PolarHBondContact O-N 3.34Å; E2-T6 PolarHBondContact O-OG1 2.9Å; E2-T6 VanDerWaalsContact O-OG1 3.05Å; T6-G8 VanDerWaalsContact C-N 3.26Å; T6-G8 PolarHBondContact O-N 3.36Å; T6-I9 PolarHBondContact O-N 3.05Å; T6-I9 VanDerWaalsContact O-N 3.15Å; T6-W10 VanDerWaalsContact CG2-NE1 3.33Å; T6-W10 PolarHBondContact O-N 2.81Å; T6-F90 HydrophobicContact CG2-CE1 4.42Å; T6-F90 HydrophobicContact CG2-CZ 4.24Å |
| 7 | K | 94 | Very high | 93.4 | Very high | 158 Ų | 158 | 65 Ų | 65 | 69% | 0.687 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -59.8 | -37.2 | 174.8 | -74.2 | -179.6 | -178.8 | -175.1 | 0 | 112.6 | A3 H5 W10 M11 | A3-K7 WeakPolarHBondContact O-CG 3.27Å; A3-K7 PolarHBondContact O-N 3.19Å; A3-K7 VanDerWaalsContact O-N 3.13Å; H5-K7 PolarHBondContact O-N 3.47Å; K7-W10 PolarHBondContact O-N 2.81Å; K7-M11 WeakPolarHBondContact O-CB 3.14Å; K7-M11 PolarHBondContact O-N 3.42Å |
| 8 | G | 94.7 | Very high | 93.5 | Very high | 2 Ų | 2 | 67.4 Ų | 67.4 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65 | -37.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | M4 H5 T6 M11 A12 | M4-G8 PolarHBondContact O-N 3.48Å; H5-G8 CarbonylContact O-C 3.54Å; H5-G8 WeakPolarHBondContact O-CA 3.45Å; H5-G8 PolarHBondContact O-N 2.91Å; T6-G8 VanDerWaalsContact C-N 3.26Å; T6-G8 PolarHBondContact O-N 3.36Å; G8-M11 PolarHBondContact O-N 3.16Å; G8-A12 PolarHBondContact O-N 3.21Å |
| 9 | I | 95.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.6 | -47.8 | 173.8 | -61.5 | -50.3 | 0 | 0 | 0 | 111 | H5 T6 M11 A12 E13 P80 W83 V84 F90 P95 F168 | H5-I9 WeakPolarHBondContact O-CG1 3.33Å; H5-I9 PolarHBondContact O-N 3.37Å; T6-I9 PolarHBondContact O-N 3.05Å; T6-I9 VanDerWaalsContact O-N 3.15Å; I9-M11 VanDerWaalsContact C-N 3.26Å; I9-M11 PolarHBondContact O-N 3.28Å; I9-A12 WeakPolarHBondContact O-CB 3.14Å; I9-A12 PolarHBondContact O-N 3.06Å; I9-E13 PolarHBondContact O-N 3.13Å; I9-P80 HydrophobicContact CD1-CB 3.6Å; I9-W83 HydrophobicContact CD1-CE3 4.3Å; I9-W83 HydrophobicContact CG1-CE3 3.9Å; I9-W83 HydrophobicContact CG1-CZ3 3.78Å; I9-V84 HydrophobicContact CB-CG2 4.38Å; I9-V84 HydrophobicContact CD1-CG2 3.35Å; I9-V84 HydrophobicContact CG1-CG2 3.56Å; I9-V84 HydrophobicContact CG2-CG2 3.85Å; I9-F90 HydrophobicContact CB-CZ 3.98Å; I9-F90 HydrophobicContact CG1-CE2 4.23Å; I9-F90 HydrophobicContact CG1-CZ 4.09Å; I9-F90 HydrophobicContact CG2-CE1 4.36Å; I9-F90 HydrophobicContact CG2-CE2 4.4Å; I9-F90 HydrophobicContact CG2-CZ 3.9Å; I9-P95 HydrophobicContact CG2-CB 3.79Å; I9-P95 HydrophobicContact CG2-CG 3.78Å; I9-F168 HydrophobicContact CD1-CE1 3.67Å; I9-F168 HydrophobicContact CD1-CZ 4.26Å; I9-F168 HydrophobicContact CG1-CE1 4.09Å |
| 10 | W | 95.3 | Very high | 93.2 | Very high | 104 Ų | 104 | 68.9 Ų | 68.9 | 39% | 0.394 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.3 | -36.2 | 176.9 | -65.6 | 121.4 | 0 | 0 | 0 | 112.4 | T6 K7 E13 Y14 F90 T93 | T6-W10 VanDerWaalsContact CG2-NE1 3.33Å; T6-W10 PolarHBondContact O-N 2.81Å; K7-W10 PolarHBondContact O-N 2.81Å; W10-E13 WeakPolarHBondContact CZ3-OE2 2.81Å; W10-Y14 VanDerWaalsContact O-CB 3.29Å; W10-Y14 WeakPolarHBondContact O-CB 3.26Å; W10-Y14 PolarHBondContact O-N 2.91Å; W10-F90 HydrophobicContact CZ2-CD1 4.39Å; W10-F90 AromaticContact CZ2-CE1 3.92Å; W10-F90 HydrophobicContact CZ2-CE1 3.92Å; W10-T93 HydrophobicContact CH2-CG2 3.86Å |
| 11 | M | 96.2 | Very high | 93.2 | Very high | 76 Ų | 76 | 72.1 Ų | 72.1 | 37% | 0.374 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 172.5 | -177.5 | 176 | 176.9 | 0 | 0 | 111.7 | K7 G8 I9 Y14 L15 I162 P169 | K7-M11 WeakPolarHBondContact O-CB 3.14Å; K7-M11 PolarHBondContact O-N 3.42Å; G8-M11 PolarHBondContact O-N 3.16Å; I9-M11 VanDerWaalsContact C-N 3.26Å; I9-M11 PolarHBondContact O-N 3.28Å; M11-Y14 PolarHBondContact O-N 3Å; M11-L15 HydrophobicContact CE-CD1 4.27Å; M11-L15 HydrophobicContact CG-CD1 4.22Å; M11-L15 WeakPolarHBondContact O-CB 3.13Å; M11-L15 VanDerWaalsContact O-CG 3.25Å; M11-L15 WeakPolarHBondContact O-CG 3.45Å; M11-L15 PolarHBondContact O-N 3.13Å; M11-I162 HydrophobicContact CE-CD1 3.93Å; M11-I162 HydrophobicContact CG-CG2 4.4Å; M11-I162 HydrophobicContact SD-CD1 4.35Å; M11-P169 HydrophobicContact SD-CB 4.08Å; M11-P169 HydrophobicContact SD-CG 3.47Å; M11-P169 WeakPolarHBondContact SD-CG 3.3Å |
| 12 | A | 96 | Very high | 93.7 | Very high | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.008 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.3 | -44.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | G8 I9 L15 Q16 I162 L165 | G8-A12 PolarHBondContact O-N 3.21Å; I9-A12 WeakPolarHBondContact O-CB 3.14Å; I9-A12 PolarHBondContact O-N 3.06Å; A12-L15 PolarHBondContact O-N 3.34Å; A12-Q16 WeakPolarHBondContact O-CB 3.29Å; A12-Q16 WeakPolarHBondContact O-CG 3.3Å; A12-Q16 PolarHBondContact O-N 2.79Å; A12-I162 HydrophobicContact CB-CG2 4.01Å; A12-L165 HydrophobicContact CB-CD2 3.65Å |
| 13 | E | 95.9 | Very high | 94 | Very high | 18 Ų | 18 | 65.8 Ų | 65.8 | 8% | 0.084 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.2 | -49.5 | 173.7 | -178 | 171.8 | -165.8 | 0 | 0 | 111.4 | I9 W10 L15 Q16 E17 P95 R96 I97 | I9-E13 PolarHBondContact O-N 3.13Å; W10-E13 WeakPolarHBondContact CZ3-OE2 2.81Å; E13-L15 VanDerWaalsContact C-N 3.31Å; E13-L15 PolarHBondContact O-N 3.05Å; E13-Q16 PolarHBondContact O-N 3.32Å; E13-Q16 VanDerWaalsContact O-N 3.13Å; E13-E17 HydrophobicContact CG-CG 4.39Å; E13-E17 WeakPolarHBondContact O-CG 3.43Å; E13-E17 PolarHBondContact O-N 3.45Å; E13-P95 WeakPolarHBondContact OE2-CA 3.3Å; E13-P95 VanDerWaalsContact OE2-CB 3.24Å; E13-P95 WeakPolarHBondContact OE2-CB 3.24Å; E13-R96 HydrophobicContact CG-CB 4.36Å; E13-R96 WeakPolarHBondContact OE1-CB 3.18Å; E13-R96 PolarHBondContact OE1-N 2.87Å; E13-I97 HydrophobicContact CB-CG2 3.82Å; E13-I97 HydrophobicContact CG-CG2 4.48Å |
| 14 | Y | 96.2 | Very high | 94.3 | Very high | 137 Ų | 137 | 68.6 Ų | 68.6 | 54% | 0.537 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -55.7 | -46.4 | 177 | 179.3 | -92.7 | 0 | 0 | 0 | 111.9 | W10 M11 E17 H18 | W10-Y14 VanDerWaalsContact O-CB 3.29Å; W10-Y14 WeakPolarHBondContact O-CB 3.26Å; W10-Y14 PolarHBondContact O-N 2.91Å; M11-Y14 PolarHBondContact O-N 3Å; Y14-E17 PolarHBondContact O-N 3.03Å; Y14-H18 AromaticContact CD2-CE1 3.38Å; Y14-H18 WeakPolarHBondContact CD2-CE1 3.49Å; Y14-H18 AromaticContact CD2-ND1 3.52Å; Y14-H18 AromaticContact CE2-CE1 3.15Å; Y14-H18 WeakPolarHBondContact CE2-CE1 3.4Å; Y14-H18 AromaticContact CE2-ND1 3.49Å; Y14-H18 WeakPolarHBondContact CE2-ND1 3.35Å; Y14-H18 AromaticContact CE2-NE2 3.5Å; Y14-H18 AromaticContact CG-ND1 3.91Å; Y14-H18 AromaticContact CZ-CE1 3.85Å; Y14-H18 AromaticContact CZ-CG 3.98Å; Y14-H18 AromaticContact CZ-ND1 3.85Å; Y14-H18 AromaticContact CZ-NE2 3.94Å; Y14-H18 WeakPolarHBondContact O-CB 3.5Å; Y14-H18 PolarHBondContact O-N 3.17Å; Y14-H18 PolarHBondContact O-ND1 3.03Å |
| 15 | L | 95.9 | Very high | 94.5 | Very high | 22 Ų | 22 | 68.9 Ų | 68.9 | 12% | 0.115 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 176.7 | -74 | 170.6 | 0 | 0 | 0 | 111.6 | M11 A12 E13 T19 I159 I162 F163 | M11-L15 HydrophobicContact CE-CD1 4.27Å; M11-L15 HydrophobicContact CG-CD1 4.22Å; M11-L15 WeakPolarHBondContact O-CB 3.13Å; M11-L15 VanDerWaalsContact O-CG 3.25Å; M11-L15 WeakPolarHBondContact O-CG 3.45Å; M11-L15 PolarHBondContact O-N 3.13Å; A12-L15 PolarHBondContact O-N 3.34Å; E13-L15 VanDerWaalsContact C-N 3.31Å; E13-L15 PolarHBondContact O-N 3.05Å; L15-T19 WeakPolarHBondContact O-CB 3.5Å; L15-T19 PolarHBondContact O-N 3.29Å; L15-T19 PolarHBondContact O-OG1 2.82Å; L15-I159 HydrophobicContact CD1-CG2 4.07Å; L15-I159 HydrophobicContact CD2-CG2 4Å; L15-I162 HydrophobicContact CD1-CB 4.1Å; L15-I162 HydrophobicContact CD1-CG2 3.78Å; L15-F163 HydrophobicContact CB-CD2 4.3Å |
| 16 | Q | 96 | Very high | 94.6 | Very high | 11 Ų | 11 | 69.7 Ų | 69.7 | 5% | 0.051 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 179.4 | -73.5 | -170.7 | 9 | 0 | 0 | 112.1 | A12 E13 K20 S98 F163 | A12-Q16 WeakPolarHBondContact O-CB 3.29Å; A12-Q16 WeakPolarHBondContact O-CG 3.3Å; A12-Q16 PolarHBondContact O-N 2.79Å; E13-Q16 PolarHBondContact O-N 3.32Å; E13-Q16 VanDerWaalsContact O-N 3.13Å; Q16-K20 WeakPolarHBondContact O-CA 3.25Å; Q16-K20 VanDerWaalsContact O-CB 3.27Å; Q16-K20 WeakPolarHBondContact O-CB 3.42Å; Q16-K20 PolarHBondContact O-N 3.14Å; Q16-K20 VanDerWaalsContact O-N 3.16Å; Q16-S98 PolarHBondContact NE2-O 3.46Å; Q16-F163 HydrophobicContact CB-CE2 4.32Å; Q16-F163 HydrophobicContact CG-CD2 3.95Å; Q16-F163 HydrophobicContact CG-CE2 3.92Å; Q16-F163 HydrophobicContact CG-CG 4.38Å; Q16-F163 HydrophobicContact CG-CZ 4.3Å; Q16-F163 PolarHBondContact NE2-O 3Å |
| 17 | E | 95.3 | Very high | 94.7 | Very high | 98 Ų | 98 | 69.6 Ų | 69.6 | 46% | 0.458 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.5 | -41.5 | 179.3 | -71.3 | -169.3 | 148.2 | 0 | 0 | 112.4 | E13 Y14 R96 | E13-E17 HydrophobicContact CG-CG 4.39Å; E13-E17 WeakPolarHBondContact O-CG 3.43Å; E13-E17 PolarHBondContact O-N 3.45Å; Y14-E17 PolarHBondContact O-N 3.03Å; E17-R96 WeakPolarHBondContact OE1-CD 2.94Å |
| 18 | H | 95.5 | Very high | 94.8 | Very high | 109 Ų | 109 | 65.3 Ų | 65.3 | 51% | 0.505 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -87.9 | -20.5 | -173.6 | -68 | 74.1 | 0 | 0 | 0 | 114.1 | Y14 | Y14-H18 AromaticContact CD2-CE1 3.38Å; Y14-H18 WeakPolarHBondContact CD2-CE1 3.49Å; Y14-H18 AromaticContact CD2-ND1 3.52Å; Y14-H18 AromaticContact CE2-CE1 3.15Å; Y14-H18 WeakPolarHBondContact CE2-CE1 3.4Å; Y14-H18 AromaticContact CE2-ND1 3.49Å; Y14-H18 WeakPolarHBondContact CE2-ND1 3.35Å; Y14-H18 AromaticContact CE2-NE2 3.5Å; Y14-H18 AromaticContact CG-ND1 3.91Å; Y14-H18 AromaticContact CZ-CE1 3.85Å; Y14-H18 AromaticContact CZ-CG 3.98Å; Y14-H18 AromaticContact CZ-ND1 3.85Å; Y14-H18 AromaticContact CZ-NE2 3.94Å; Y14-H18 WeakPolarHBondContact O-CB 3.5Å; Y14-H18 PolarHBondContact O-N 3.17Å; Y14-H18 PolarHBondContact O-ND1 3.03Å |
| 19 | T | 93.6 | Very high | 94.8 | Very high | 27 Ų | 27 | 66.1 Ų | 66.1 | 17% | 0.166 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -123.8 | 21.9 | -177.1 | 70.4 | 0 | 0 | 0 | 0 | 113.2 | L15 N21 L22 W26 | L15-T19 WeakPolarHBondContact O-CB 3.5Å; L15-T19 PolarHBondContact O-N 3.29Å; L15-T19 PolarHBondContact O-OG1 2.82Å; T19-N21 PolarHBondContact O-N 3.14Å; T19-L22 CarbonylContact O-C 3.57Å; T19-L22 WeakPolarHBondContact O-CA 3.28Å; T19-L22 WeakPolarHBondContact O-CB 3.09Å; T19-L22 PolarHBondContact O-N 3.41Å; T19-W26 HydrophobicContact CG2-CZ2 4.49Å; T19-W26 PolarHBondContact OG1-NE1 3.49Å |
| 20 | K | 88.1 | Confident | 94.7 | Very high | 137 Ų | 137 | 66.3 Ų | 66.3 | 60% | 0.596 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -56.1 | -36.4 | 178.8 | -161.9 | 170.3 | 179.9 | 173.3 | 0 | 113.2 | Q16 L22 E23 | Q16-K20 WeakPolarHBondContact O-CA 3.25Å; Q16-K20 VanDerWaalsContact O-CB 3.27Å; Q16-K20 WeakPolarHBondContact O-CB 3.42Å; Q16-K20 PolarHBondContact O-N 3.14Å; Q16-K20 VanDerWaalsContact O-N 3.16Å; K20-L22 PolarHBondContact O-N 3.06Å; K20-E23 VanDerWaalsContact O-CB 3.31Å; K20-E23 WeakPolarHBondContact O-CB 3.25Å; K20-E23 PolarHBondContact O-N 2.78Å; K20-E23 VanDerWaalsContact O-N 3.12Å |
| 21 | N | 93.6 | Very high | 94.6 | Very high | 136 Ų | 136 | 66.9 Ų | 66.9 | 73% | 0.727 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -63.1 | -18.7 | 175 | 62.4 | -33 | 0 | 0 | 0 | 113.5 | T19 | T19-N21 PolarHBondContact O-N 3.14Š|
| 22 | L | 93.2 | Very high | 94.3 | Very high | 77 Ų | 77 | 69 Ų | 69 | 40% | 0.403 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -103.6 | 17.4 | 177.5 | -58.4 | 178.7 | 0 | 0 | 0 | 112.3 | T19 K20 Q24 F25 W26 | T19-L22 CarbonylContact O-C 3.57Å; T19-L22 WeakPolarHBondContact O-CA 3.28Å; T19-L22 WeakPolarHBondContact O-CB 3.09Å; T19-L22 PolarHBondContact O-N 3.41Å; K20-L22 PolarHBondContact O-N 3.06Å; L22-Q24 PolarHBondContact O-N 3.47Å; L22-F25 HydrophobicContact CB-CB 4.29Å; L22-F25 WeakPolarHBondContact O-CA 3.42Å; L22-F25 VanDerWaalsContact O-CB 3.3Å; L22-F25 WeakPolarHBondContact O-CB 3.25Å; L22-F25 PolarHBondContact O-N 3.33Å; L22-W26 PolarHBondContact O-N 2.65Å |
| 23 | E | 93.3 | Very high | 94 | Very high | 60 Ų | 60 | 69 Ų | 69 | 28% | 0.28 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -50 | -52.3 | -179.9 | -179.4 | -173.8 | 123.2 | 0 | 0 | 112.4 | K20 F25 W26 L27 F100 F163 | K20-E23 VanDerWaalsContact O-CB 3.31Å; K20-E23 WeakPolarHBondContact O-CB 3.25Å; K20-E23 PolarHBondContact O-N 2.78Å; K20-E23 VanDerWaalsContact O-N 3.12Å; E23-F25 PolarHBondContact O-N 2.97Å; E23-W26 PolarHBondContact O-N 3.2Å; E23-L27 HydrophobicContact CG-CD1 4.07Å; E23-L27 HydrophobicContact CG-CG 4.37Å; E23-L27 WeakPolarHBondContact O-CG 3.35Å; E23-L27 PolarHBondContact O-N 3.19Å; E23-F100 VanDerWaalsContact CD-CE1 3.48Å; E23-F100 HydrophobicContact CG-CD1 4.22Å; E23-F100 HydrophobicContact CG-CE1 3.63Å; E23-F100 HydrophobicContact CG-CZ 4.34Å; E23-F163 HydrophobicContact CB-CZ 4.3Å; E23-F163 HydrophobicContact CG-CE1 4.3Å; E23-F163 HydrophobicContact CG-CZ 4.37Å |
| 24 | Q | 94.9 | Very high | 93.8 | Very high | 130 Ų | 130 | 69.4 Ų | 69.4 | 61% | 0.607 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61.8 | -33.2 | 179.8 | -68.3 | -59.5 | -34.5 | 0 | 0 | 112.7 | L22 T28 | L22-Q24 PolarHBondContact O-N 3.47Å; Q24-T28 VanDerWaalsContact O-CB 3.27Å; Q24-T28 WeakPolarHBondContact O-CB 3.32Å; Q24-T28 PolarHBondContact O-N 2.69Å; Q24-T28 PolarHBondContact O-OG1 3.24Å |
| 25 | F | 95.4 | Very high | 93.4 | Very high | 103 Ų | 103 | 63.3 Ų | 63.3 | 45% | 0.452 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.3 | -47.8 | 173.3 | 167.8 | -97.2 | 0 | 0 | 0 | 110.6 | L22 E23 L27 T28 V29 | L22-F25 HydrophobicContact CB-CB 4.29Å; L22-F25 WeakPolarHBondContact O-CA 3.42Å; L22-F25 VanDerWaalsContact O-CB 3.3Å; L22-F25 WeakPolarHBondContact O-CB 3.25Å; L22-F25 PolarHBondContact O-N 3.33Å; E23-F25 PolarHBondContact O-N 2.97Å; F25-L27 PolarHBondContact O-N 2.71Å; F25-T28 WeakPolarHBondContact O-CB 3.45Å; F25-T28 PolarHBondContact O-N 3.18Å; F25-V29 HydrophobicContact CD1-CG2 4.34Å; F25-V29 HydrophobicContact CD2-CG2 4.17Å; F25-V29 HydrophobicContact CE1-CG2 3.95Å; F25-V29 HydrophobicContact CE2-CG2 3.78Å; F25-V29 HydrophobicContact CG-CG2 4.44Å; F25-V29 HydrophobicContact CZ-CG2 3.66Å; F25-V29 WeakPolarHBondContact O-CB 3.38Å; F25-V29 VanDerWaalsContact O-CG2 3.28Å; F25-V29 WeakPolarHBondContact O-CG2 3.36Å; F25-V29 PolarHBondContact O-N 3.07Å |
| 26 | W | 95.9 | Very high | 93.2 | Very high | 25 Ų | 25 | 63.6 Ų | 63.6 | 10% | 0.095 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.9 | -41 | 178.4 | -63.3 | 126 | 0 | 0 | 0 | 113.1 | T19 L22 E23 T28 V29 T30 I159 S160 F163 | T19-W26 HydrophobicContact CG2-CZ2 4.49Å; T19-W26 PolarHBondContact OG1-NE1 3.49Å; L22-W26 PolarHBondContact O-N 2.65Å; E23-W26 PolarHBondContact O-N 3.2Å; W26-T28 VanDerWaalsContact C-N 3.31Å; W26-T28 PolarHBondContact O-N 3.28Å; W26-V29 PolarHBondContact O-N 2.95Å; W26-T30 PolarHBondContact O-N 3.29Å; W26-I159 HydrophobicContact CE3-CG2 4.27Å; W26-I159 HydrophobicContact CH2-CB 4.27Å; W26-I159 HydrophobicContact CH2-CG2 3.6Å; W26-I159 HydrophobicContact CZ2-CG2 4.05Å; W26-I159 HydrophobicContact CZ3-CB 4.06Å; W26-I159 HydrophobicContact CZ3-CG2 3.72Å; W26-S160 WeakPolarHBondContact O-CB 3.49Å; W26-F163 HydrophobicContact CB-CD1 3.79Å; W26-F163 HydrophobicContact CB-CE1 4.07Å; W26-F163 HydrophobicContact CB-CG 4.15Å; W26-F163 AromaticContact CD1-CD2 3.61Å; W26-F163 AromaticContact CD1-CE2 3.53Å; W26-F163 AromaticContact CD1-CG 3.91Å; W26-F163 AromaticContact CD1-CZ 3.78Å; W26-F163 HydrophobicContact CG-CD1 4.15Å; W26-F163 HydrophobicContact CG-CD2 4.19Å; W26-F163 HydrophobicContact CG-CE1 4.4Å; W26-F163 HydrophobicContact CG-CE2 4.41Å; W26-F163 HydrophobicContact CG-CG 4.05Å; W26-F163 AromaticContact NE1-CD2 3.96Å |
| 27 | L | 94.6 | Very high | 93 | Very high | 30 Ų | 30 | 64.4 Ų | 64.4 | 16% | 0.157 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.5 | -39.9 | 174.9 | -65 | -179.7 | 0 | 0 | 0 | 111.7 | E23 F25 T30 H31 F100 C102 I164 | E23-L27 HydrophobicContact CG-CD1 4.07Å; E23-L27 HydrophobicContact CG-CG 4.37Å; E23-L27 WeakPolarHBondContact O-CG 3.35Å; E23-L27 PolarHBondContact O-N 3.19Å; F25-L27 PolarHBondContact O-N 2.71Å; L27-T30 WeakPolarHBondContact O-CG2 3.28Å; L27-H31 PolarHBondContact O-N 2.94Å; L27-H31 VanDerWaalsContact O-N 3.13Å; L27-F100 HydrophobicContact CD1-CD1 4.39Å; L27-F100 HydrophobicContact CD2-CB 3.79Å; L27-F100 HydrophobicContact CD2-CD1 4.17Å; L27-F100 HydrophobicContact CD2-CG 3.91Å; L27-C102 VanDerWaalsContact CD2-SG 3.56Å; L27-I164 HydrophobicContact CD2-CG2 3.85Å |
| 28 | T | 95.2 | Very high | 92.8 | Very high | 68 Ų | 68 | 60.1 Ų | 60.1 | 42% | 0.417 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.4 | -46 | 175.2 | -60.1 | 0 | 0 | 0 | 0 | 110.9 | Q24 F25 W26 T30 H31 F32 | Q24-T28 VanDerWaalsContact O-CB 3.27Å; Q24-T28 WeakPolarHBondContact O-CB 3.32Å; Q24-T28 PolarHBondContact O-N 2.69Å; Q24-T28 PolarHBondContact O-OG1 3.24Å; F25-T28 WeakPolarHBondContact O-CB 3.45Å; F25-T28 PolarHBondContact O-N 3.18Å; W26-T28 VanDerWaalsContact C-N 3.31Å; W26-T28 PolarHBondContact O-N 3.28Å; T28-T30 PolarHBondContact O-N 3.29Å; T28-H31 WeakPolarHBondContact O-CB 3.32Å; T28-H31 PolarHBondContact O-N 3.47Å; T28-H31 VanDerWaalsContact O-N 3.12Å; T28-F32 HydrophobicContact CG2-CD2 3.62Å; T28-F32 HydrophobicContact CG2-CE2 3.55Å; T28-F32 VanDerWaalsContact O-CD2 3.3Å; T28-F32 WeakPolarHBondContact O-CD2 3.48Å; T28-F32 PolarHBondContact O-N 3.3Å |
| 29 | V | 95.6 | Very high | 92.7 | Very high | 19 Ų | 19 | 54.9 Ų | 54.9 | 12% | 0.115 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 178.8 | 169.6 | 0 | 0 | 0 | 0 | 111.7 | F25 W26 H31 F32 G33 A156 V157 | F25-V29 HydrophobicContact CD1-CG2 4.34Å; F25-V29 HydrophobicContact CD2-CG2 4.17Å; F25-V29 HydrophobicContact CE1-CG2 3.95Å; F25-V29 HydrophobicContact CE2-CG2 3.78Å; F25-V29 HydrophobicContact CG-CG2 4.44Å; F25-V29 HydrophobicContact CZ-CG2 3.66Å; F25-V29 WeakPolarHBondContact O-CB 3.38Å; F25-V29 VanDerWaalsContact O-CG2 3.28Å; F25-V29 WeakPolarHBondContact O-CG2 3.36Å; F25-V29 PolarHBondContact O-N 3.07Å; W26-V29 PolarHBondContact O-N 2.95Å; V29-H31 VanDerWaalsContact C-N 3.3Å; V29-H31 PolarHBondContact O-N 3.45Å; V29-F32 PolarHBondContact O-N 2.82Å; V29-G33 PolarHBondContact O-N 3.13Å; V29-A156 VanDerWaalsContact CG1-C 3.46Å; V29-A156 HydrophobicContact CG1-CB 3.89Å; V29-A156 WeakPolarHBondContact CG1-O 3.3Å; V29-V157 HydrophobicContact CG1-CG2 4.13Å |
| 30 | T | 93.4 | Very high | 92.7 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 3% | 0.025 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.3 | -35.4 | 175.3 | -172.7 | 0 | 0 | 0 | 0 | 111.9 | W26 L27 T28 G33 D34 H114 S160 R161 I164 | W26-T30 PolarHBondContact O-N 3.29Å; L27-T30 WeakPolarHBondContact O-CG2 3.28Å; T28-T30 PolarHBondContact O-N 3.29Å; T30-G33 PolarHBondContact O-N 3.49Å; T30-D34 PolarHBondContact O-N 2.89Å; T30-H114 PolarHBondContact O-CD2 3.38Å; T30-H114 VanDerWaalsContact O-CD2 3.31Å; T30-S160 WeakPolarHBondContact CB-OG 2.84Å; T30-R161 VanDerWaalsContact OG1-CD 3.28Å; T30-R161 WeakPolarHBondContact OG1-CD 3.41Å; T30-R161 PolarHBondContact OG1-NH1 2.89Å; T30-I164 HydrophobicContact CG2-CD1 4.17Å |
| 31 | H | 92.1 | Very high | 93 | Very high | 117 Ų | 117 | 52.7 Ų | 52.7 | 54% | 0.542 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66 | -41.7 | 176.1 | -179 | -87.9 | 0 | 0 | 0 | 111.4 | L27 T28 V29 G33 D34 V37 | L27-H31 PolarHBondContact O-N 2.94Å; L27-H31 VanDerWaalsContact O-N 3.13Å; T28-H31 WeakPolarHBondContact O-CB 3.32Å; T28-H31 PolarHBondContact O-N 3.47Å; T28-H31 VanDerWaalsContact O-N 3.12Å; V29-H31 VanDerWaalsContact C-N 3.3Å; V29-H31 PolarHBondContact O-N 3.45Å; H31-G33 VanDerWaalsContact C-N 3.25Å; H31-G33 PolarHBondContact O-N 2.88Å; H31-D34 VanDerWaalsContact O-CB 3.24Å; H31-D34 WeakPolarHBondContact O-CB 3.45Å; H31-D34 PolarHBondContact O-N 3.3Å; H31-D34 VanDerWaalsContact O-N 3.15Å; H31-V37 WeakPolarHBondContact O-CG2 3.42Å |
| 32 | F | 90.5 | Very high | 93.1 | Very high | 121 Ų | 121 | 46.8 Ų | 46.8 | 53% | 0.531 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -67.7 | -24.2 | 174.2 | -84.5 | -74.9 | 0 | 0 | 0 | 113.7 | T28 V29 D34 L41 | T28-F32 HydrophobicContact CG2-CD2 3.62Å; T28-F32 HydrophobicContact CG2-CE2 3.55Å; T28-F32 VanDerWaalsContact O-CD2 3.3Å; T28-F32 WeakPolarHBondContact O-CD2 3.48Å; T28-F32 PolarHBondContact O-N 3.3Å; V29-F32 PolarHBondContact O-N 2.82Å; F32-D34 VanDerWaalsContact C-N 3.3Å; F32-L41 HydrophobicContact CE1-CD2 4.44Å |
| 33 | G | 90 | Very high | 93.3 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | 0.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | V29 T30 H31 H114 T118 | V29-G33 PolarHBondContact O-N 3.13Å; T30-G33 PolarHBondContact O-N 3.49Å; H31-G33 VanDerWaalsContact C-N 3.25Å; H31-G33 PolarHBondContact O-N 2.88Å; G33-H114 WeakPolarHBondContact O-CA 3.49Å; G33-H114 WeakPolarHBondContact O-CB 3.15Å; G33-H114 PolarHBondContact O-CD2 2.84Å; G33-T118 PolarHBondContact O-OG1 2.88Å |
| 34 | D | 91.5 | Very high | 93.5 | Very high | 25 Ų | 25 | 40.3 Ų | 40.3 | 13% | 0.134 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -65.2 | 132.9 | 176.8 | -171 | -59.7 | 0 | 0 | 0 | 109.8 | T30 H31 F32 Q36 V37 H114 | T30-D34 PolarHBondContact O-N 2.89Å; H31-D34 VanDerWaalsContact O-CB 3.24Å; H31-D34 WeakPolarHBondContact O-CB 3.45Å; H31-D34 PolarHBondContact O-N 3.3Å; H31-D34 VanDerWaalsContact O-N 3.15Å; F32-D34 VanDerWaalsContact C-N 3.3Å; D34-Q36 PolarHBondContact O-N 3.46Å; D34-Q36 VanDerWaalsContact OD1-CB 3.27Å; D34-Q36 WeakPolarHBondContact OD1-CB 3.49Å; D34-Q36 VanDerWaalsContact OD1-CG 3.28Å; D34-Q36 WeakPolarHBondContact OD1-CG 3.39Å; D34-Q36 PolarHBondContact OD1-N 3.01Å; D34-V37 HydrophobicContact CB-CG2 4.4Å; D34-V37 VanDerWaalsContact O-CB 3.3Å; D34-V37 WeakPolarHBondContact O-CB 3.34Å; D34-V37 WeakPolarHBondContact O-CG2 3.48Å; D34-V37 PolarHBondContact O-N 2.88Å; D34-H114 PolarHBondContact N-CD2 3.45Å |
| 35 | P | 88.9 | Confident | 93.5 | Very high | 9 Ų | 9 | 38 Ų | 38 | 6% | 0.058 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -48 | -33 | 176.5 | -31.4 | 37.7 | 0 | 0 | 0 | 114.7 | V37 G38 F39 E65 V117 | P35-V37 PolarHBondContact O-N 3.26Å; P35-G38 PolarHBondContact O-N 3.05Å; P35-F39 WeakPolarHBondContact O-CD2 3.33Å; P35-E65 WeakPolarHBondContact CB-OE1 3.46Å; P35-E65 WeakPolarHBondContact CG-OE1 3.3Å; P35-V117 HydrophobicContact CB-CB 4.33Å; P35-V117 HydrophobicContact CB-CG1 4.06Å; P35-V117 HydrophobicContact CB-CG2 4.29Å; P35-V117 HydrophobicContact CG-CB 4.19Å; P35-V117 HydrophobicContact CG-CG1 4.45Å; P35-V117 HydrophobicContact CG-CG2 4.08Å |
| 36 | Q | 90.7 | Very high | 93.5 | Very high | 29 Ų | 29 | 33.5 Ų | 33.5 | 14% | 0.136 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.9 | -30.7 | 177.5 | -68.3 | -177.4 | 58.1 | 0 | 0 | 113.4 | D34 G38 F39 L40 F314 | D34-Q36 PolarHBondContact O-N 3.46Å; D34-Q36 VanDerWaalsContact OD1-CB 3.27Å; D34-Q36 WeakPolarHBondContact OD1-CB 3.49Å; D34-Q36 VanDerWaalsContact OD1-CG 3.28Å; D34-Q36 WeakPolarHBondContact OD1-CG 3.39Å; D34-Q36 PolarHBondContact OD1-N 3.01Å; Q36-G38 PolarHBondContact O-N 2.94Å; Q36-F39 PolarHBondContact O-N 3.39Å; Q36-F39 VanDerWaalsContact O-N 3.15Å; Q36-L40 WeakPolarHBondContact O-CB 3.42Å; Q36-L40 WeakPolarHBondContact O-CG 3.25Å; Q36-L40 PolarHBondContact O-N 2.93Å; Q36-F314 HydrophobicContact CG-CZ 4.32Å |
| 37 | V | 91.2 | Very high | 93.5 | Very high | 27 Ų | 27 | 33.1 Ų | 33.1 | 16% | 0.164 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.5 | -33 | 177 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | H31 D34 P35 F39 L41 V42 | H31-V37 WeakPolarHBondContact O-CG2 3.42Å; D34-V37 HydrophobicContact CB-CG2 4.4Å; D34-V37 VanDerWaalsContact O-CB 3.3Å; D34-V37 WeakPolarHBondContact O-CB 3.34Å; D34-V37 WeakPolarHBondContact O-CG2 3.48Å; D34-V37 PolarHBondContact O-N 2.88Å; P35-V37 PolarHBondContact O-N 3.26Å; V37-F39 VanDerWaalsContact C-N 3.34Å; V37-F39 PolarHBondContact O-N 2.97Å; V37-L41 HydrophobicContact CG1-CB 3.95Å; V37-L41 HydrophobicContact CG1-CD2 3.9Å; V37-L41 WeakPolarHBondContact O-CA 3.03Å; V37-L41 WeakPolarHBondContact O-CB 3.49Å; V37-L41 PolarHBondContact O-N 3.45Å; V37-V42 PolarHBondContact O-N 3.22Å |
| 38 | G | 91.1 | Very high | 93.5 | Very high | 8 Ų | 8 | 32.7 Ų | 32.7 | 8% | 0.082 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -57.7 | -46.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | P35 Q36 F43 | P35-G38 PolarHBondContact O-N 3.05Å; Q36-G38 PolarHBondContact O-N 2.94Å; G38-F43 WeakPolarHBondContact O-CB 3.31Å; G38-F43 PolarHBondContact O-N 3Å |
| 39 | F | 93.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | I | π-helix | trans | -75.5 | -40.6 | -178.5 | -58.5 | -86.4 | 0 | 0 | 0 | 113.5 | P35 Q36 V37 F43 L58 A62 R253 D254 T257 F314 | P35-F39 WeakPolarHBondContact O-CD2 3.33Å; Q36-F39 PolarHBondContact O-N 3.39Å; Q36-F39 VanDerWaalsContact O-N 3.15Å; V37-F39 VanDerWaalsContact C-N 3.34Å; V37-F39 PolarHBondContact O-N 2.97Å; F39-F43 WeakPolarHBondContact O-CB 3.44Å; F39-L58 HydrophobicContact CB-CD2 4.49Å; F39-L58 HydrophobicContact CD1-CD2 3.73Å; F39-A62 HydrophobicContact CE1-CB 4.29Å; F39-A62 HydrophobicContact CZ-CB 4.5Å; F39-R253 HydrophobicContact CE2-CG 4.32Å; F39-R253 HydrophobicContact CZ-CG 4.36Å; F39-D254 WeakPolarHBondContact CZ-OD1 3.5Å; F39-T257 HydrophobicContact CD1-CG2 3.7Å; F39-T257 HydrophobicContact CE1-CG2 3.75Å; F39-F314 HydrophobicContact CB-CD1 4.38Å; F39-F314 HydrophobicContact CB-CE1 4.03Å; F39-F314 HydrophobicContact CG-CD1 4.48Å; F39-F314 HydrophobicContact CG-CE1 4.28Å |
| 40 | L | 94.2 | Very high | 93.2 | Very high | 39 Ų | 39 | 36 Ų | 36 | 20% | 0.204 | 19% | 0.191 | C | C | . | . | I | π-helix | trans | -95.1 | -25.5 | -169.5 | -62.2 | 176.5 | 0 | 0 | 0 | 113.8 | Q36 P44 L290 Y294 F314 V317 | Q36-L40 WeakPolarHBondContact O-CB 3.42Å; Q36-L40 WeakPolarHBondContact O-CG 3.25Å; Q36-L40 PolarHBondContact O-N 2.93Å; L40-P44 WeakPolarHBondContact O-CG 3.38Å; L40-L290 HydrophobicContact CD2-CD2 4.35Å; L40-L290 WeakPolarHBondContact O-CD1 3.43Å; L40-Y294 HydrophobicContact CD1-CD2 3.58Å; L40-Y294 HydrophobicContact CD1-CE2 4.05Å; L40-Y294 HydrophobicContact CD1-CG 4.3Å; L40-F314 HydrophobicContact CD2-CE1 4.49Å; L40-V317 HydrophobicContact CD2-CG1 4.43Å; L40-V317 HydrophobicContact CD2-CG2 3.79Å |
| 41 | L | 94.8 | Very high | 93.1 | Very high | 79 Ų | 79 | 39.6 Ų | 39.6 | 41% | 0.414 | 21% | 0.21 | S | C | . | . | I | π-helix | trans | -117.6 | -53.9 | -176.8 | -175.7 | 66.3 | 0 | 0 | 0 | 112.2 | F32 V37 P44 L45 | F32-L41 HydrophobicContact CE1-CD2 4.44Å; V37-L41 HydrophobicContact CG1-CB 3.95Å; V37-L41 HydrophobicContact CG1-CD2 3.9Å; V37-L41 WeakPolarHBondContact O-CA 3.03Å; V37-L41 WeakPolarHBondContact O-CB 3.49Å; V37-L41 PolarHBondContact O-N 3.45Å; L41-P44 WeakPolarHBondContact O-CD 3.36Å; L41-L45 HydrophobicContact CD1-CD1 4.06Å; L41-L45 HydrophobicContact CG-CD1 4.07Å; L41-L45 WeakPolarHBondContact O-CD1 3.31Å; L41-L45 VanDerWaalsContact O-CG 3.23Å; L41-L45 WeakPolarHBondContact O-CG 3.49Å; L41-L45 PolarHBondContact O-N 2.97Å |
| 42 | V | 96 | Very high | 93.2 | Very high | 12 Ų | 12 | 40.5 Ų | 40.5 | 7% | 0.073 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -70.7 | -39.7 | -173.8 | -173.8 | 0 | 0 | 0 | 0 | 111.3 | V37 S46 V57 V121 W122 V125 | V37-V42 PolarHBondContact O-N 3.22Å; V42-S46 VanDerWaalsContact O-CB 3.31Å; V42-S46 WeakPolarHBondContact O-CB 3.45Å; V42-S46 PolarHBondContact O-N 3.46Å; V42-S46 PolarHBondContact O-OG 2.88Å; V42-V57 HydrophobicContact CB-CG1 4.22Å; V42-V57 HydrophobicContact CG1-CG1 4.02Å; V42-V57 HydrophobicContact CG1-CG2 4.18Å; V42-V121 HydrophobicContact CB-CG1 4.42Å; V42-V121 HydrophobicContact CG1-CG1 3.96Å; V42-W122 HydrophobicContact CG2-CZ2 4.22Å; V42-V125 HydrophobicContact CG1-CG2 4.16Å |
| 43 | F | 97.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.1 | -54 | 178.5 | 159.3 | -119.6 | 0 | 0 | 0 | 113.5 | G38 F39 L45 S46 Y47 G54 V57 L58 V317 P318 V321 M322 | G38-F43 WeakPolarHBondContact O-CB 3.31Å; G38-F43 PolarHBondContact O-N 3Å; F39-F43 WeakPolarHBondContact O-CB 3.44Å; F43-L45 VanDerWaalsContact C-N 3.33Å; F43-L45 PolarHBondContact O-N 3.34Å; F43-S46 WeakPolarHBondContact CA-OG 3.37Å; F43-S46 PolarHBondContact O-N 3.39Å; F43-S46 PolarHBondContact O-OG 3.41Å; F43-Y47 HydrophobicContact CE2-CD2 4.3Å; F43-Y47 HydrophobicContact CE2-CG 4.32Å; F43-Y47 WeakPolarHBondContact O-CB 3.43Å; F43-Y47 PolarHBondContact O-N 3.16Å; F43-G54 WeakPolarHBondContact CD2-O 3.43Å; F43-V57 HydrophobicContact CB-CG1 4.02Å; F43-L58 HydrophobicContact CB-CD2 3.64Å; F43-L58 HydrophobicContact CB-CG 3.99Å; F43-L58 HydrophobicContact CD1-CD1 3.92Å; F43-L58 HydrophobicContact CD1-CD2 3.76Å; F43-L58 HydrophobicContact CD1-CG 4.01Å; F43-L58 HydrophobicContact CD2-CD1 3.58Å; F43-L58 HydrophobicContact CD2-CD2 3.96Å; F43-L58 HydrophobicContact CD2-CG 3.39Å; F43-L58 HydrophobicContact CE1-CD1 3.72Å; F43-L58 HydrophobicContact CE1-CD2 4.38Å; F43-L58 HydrophobicContact CE1-CG 4.32Å; F43-L58 HydrophobicContact CE2-CD1 3.36Å; F43-L58 HydrophobicContact CE2-CG 3.75Å; F43-L58 HydrophobicContact CG-CD1 3.83Å; F43-L58 HydrophobicContact CG-CD2 3.49Å; F43-L58 VanDerWaalsContact CG-CD2 3.49Å; F43-L58 HydrophobicContact CG-CG 3.51Å; F43-L58 HydrophobicContact CZ-CD1 3.43Å; F43-L58 VanDerWaalsContact CZ-CD1 3.43Å; F43-L58 HydrophobicContact CZ-CG 4.2Å; F43-V317 HydrophobicContact CD1-CG1 4.08Å; F43-V317 HydrophobicContact CE1-CG1 4.21Å; F43-P318 HydrophobicContact CE1-CB 4.46Å; F43-P318 HydrophobicContact CZ-CB 4.32Å; F43-V321 HydrophobicContact CD1-CB 4.43Å; F43-V321 HydrophobicContact CD1-CG1 4.39Å; F43-V321 HydrophobicContact CD1-CG2 4.08Å; F43-V321 HydrophobicContact CE1-CB 3.52Å; F43-V321 HydrophobicContact CE1-CG1 3.69Å; F43-V321 HydrophobicContact CE1-CG2 3.55Å; F43-V321 HydrophobicContact CE2-CG1 4.4Å; F43-V321 HydrophobicContact CZ-CB 3.83Å; F43-V321 HydrophobicContact CZ-CG1 3.7Å; F43-V321 HydrophobicContact CZ-CG2 4.36Å; F43-M322 HydrophobicContact CE2-CG 4.48Å; F43-M322 HydrophobicContact CE2-SD 4.38Å; F43-M322 HydrophobicContact CZ-CG 3.88Å; F43-M322 HydrophobicContact CZ-SD 4.01Å |
| 44 | P | 96.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.3 | -45.3 | 177.8 | -23.5 | 31.3 | 0 | 0 | 0 | 112.5 | L40 L41 S46 Y47 F48 L283 L290 V321 | L40-P44 WeakPolarHBondContact O-CG 3.38Å; L41-P44 WeakPolarHBondContact O-CD 3.36Å; P44-S46 PolarHBondContact O-N 3.06Å; P44-Y47 PolarHBondContact O-N 2.77Å; P44-F48 WeakPolarHBondContact O-CD2 2.98Å; P44-F48 PolarHBondContact O-N 2.88Å; P44-F48 VanDerWaalsContact O-N 3.14Å; P44-L283 HydrophobicContact CB-CD1 3.8Å; P44-L290 HydrophobicContact CB-CD1 4.46Å; P44-L290 HydrophobicContact CG-CD1 3.39Å; P44-V321 HydrophobicContact CB-CG1 4.26Å; P44-V321 HydrophobicContact CB-CG2 4.19Å; P44-V321 HydrophobicContact CG-CG2 3.84Å |
| 45 | L | 95.9 | Very high | 94 | Very high | 82 Ų | 82 | 34.9 Ų | 34.9 | 43% | 0.429 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -58.7 | -48 | 178.9 | -70.4 | 172.1 | 0 | 0 | 0 | 111.6 | L41 F43 V49 L283 | L41-L45 HydrophobicContact CD1-CD1 4.06Å; L41-L45 HydrophobicContact CG-CD1 4.07Å; L41-L45 WeakPolarHBondContact O-CD1 3.31Å; L41-L45 VanDerWaalsContact O-CG 3.23Å; L41-L45 WeakPolarHBondContact O-CG 3.49Å; L41-L45 PolarHBondContact O-N 2.97Å; F43-L45 VanDerWaalsContact C-N 3.33Å; F43-L45 PolarHBondContact O-N 3.34Å; L45-V49 VanDerWaalsContact O-CG2 3.29Å; L45-V49 WeakPolarHBondContact O-CG2 3.32Å; L45-V49 PolarHBondContact O-N 2.95Å; L45-L283 HydrophobicContact CD2-CD1 4.06Å; L45-L283 HydrophobicContact CD2-CD2 3.76Å |
| 46 | S | 95.9 | Very high | 94.5 | Very high | 7 Ų | 7 | 34.6 Ų | 34.6 | 5% | 0.049 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.7 | -39.2 | 179.9 | 51.3 | 0 | 0 | 0 | 0 | 112.9 | V42 F43 P44 V49 S50 G54 V57 | V42-S46 VanDerWaalsContact O-CB 3.31Å; V42-S46 WeakPolarHBondContact O-CB 3.45Å; V42-S46 PolarHBondContact O-N 3.46Å; V42-S46 PolarHBondContact O-OG 2.88Å; F43-S46 WeakPolarHBondContact CA-OG 3.37Å; F43-S46 PolarHBondContact O-N 3.39Å; F43-S46 PolarHBondContact O-OG 3.41Å; P44-S46 PolarHBondContact O-N 3.06Å; S46-V49 PolarHBondContact O-N 3.15Å; S46-S50 CarbonylContact O-C 3.53Å; S46-S50 PolarHBondContact O-N 2.9Å; S46-G54 WeakPolarHBondContact OG-CA 3.44Å; S46-V57 WeakPolarHBondContact OG-CG2 3.44Å |
| 47 | Y | 95.4 | Very high | 94.8 | Very high | 18 Ų | 18 | 33.2 Ų | 33.2 | 7% | 0.071 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.1 | -47.6 | 179.7 | -176.7 | -102.6 | 0 | 0 | 0 | 112.3 | F43 P44 V49 S50 N51 V321 M322 | F43-Y47 HydrophobicContact CE2-CD2 4.3Å; F43-Y47 HydrophobicContact CE2-CG 4.32Å; F43-Y47 WeakPolarHBondContact O-CB 3.43Å; F43-Y47 PolarHBondContact O-N 3.16Å; P44-Y47 PolarHBondContact O-N 2.77Å; Y47-V49 VanDerWaalsContact C-N 3.25Å; Y47-V49 PolarHBondContact O-N 2.98Å; Y47-S50 CarbonylContact O-C 3.1Å; Y47-S50 PolarHBondContact O-N 3.4Å; Y47-N51 HydrophobicContact CD2-CB 4.3Å; Y47-N51 HydrophobicContact CE2-CB 3.83Å; Y47-N51 PolarHBondContact O-N 3.48Å; Y47-N51 PolarHBondContact O-OD1 3.26Å; Y47-V321 HydrophobicContact CD1-CG1 3.85Å; Y47-V321 HydrophobicContact CG-CG1 4.2Å; Y47-M322 HydrophobicContact CD1-CG 4.33Å; Y47-M322 HydrophobicContact CD2-CG 4.08Å; Y47-M322 HydrophobicContact CE1-CB 4.2Å; Y47-M322 HydrophobicContact CE1-CG 3.93Å; Y47-M322 HydrophobicContact CE2-CB 4.43Å; Y47-M322 HydrophobicContact CE2-CE 3.86Å; Y47-M322 HydrophobicContact CE2-CG 3.68Å; Y47-M322 HydrophobicContact CE2-SD 4.17Å; Y47-M322 HydrophobicContact CG-CG 4.4Å |
| 48 | F | 93.9 | Very high | 95.1 | Very high | 21 Ų | 21 | 32 Ų | 32 | 9% | 0.092 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -72.4 | -19 | -179.6 | -70 | -62.7 | 0 | 0 | 0 | 113.6 | P44 R279 L283 S286 V321 P326 | P44-F48 WeakPolarHBondContact O-CD2 2.98Å; P44-F48 PolarHBondContact O-N 2.88Å; P44-F48 VanDerWaalsContact O-N 3.14Å; F48-R279 HydrophobicContact CB-CB 4.48Å; F48-R279 WeakPolarHBondContact O-CD 3.42Å; F48-R279 PolarHBondContact O-NH1 3.3Å; F48-L283 HydrophobicContact CB-CB 4.44Å; F48-L283 HydrophobicContact CD2-CB 3.54Å; F48-L283 HydrophobicContact CD2-CD1 3.78Å; F48-L283 HydrophobicContact CD2-CG 4.23Å; F48-L283 VanDerWaalsContact CE2-CA 3.48Å; F48-L283 HydrophobicContact CE2-CB 4.03Å; F48-L283 HydrophobicContact CE2-CD1 4.3Å; F48-L283 HydrophobicContact CG-CB 4.09Å; F48-S286 VanDerWaalsContact CE2-OG 3.27Å; F48-S286 WeakPolarHBondContact CE2-OG 3.26Å; F48-S286 WeakPolarHBondContact CZ-OG 3.41Å; F48-V321 HydrophobicContact CE2-CG1 3.86Å; F48-V321 HydrophobicContact CZ-CG1 4.16Å; F48-V321 VanDerWaalsContact CZ-O 3.27Å; F48-V321 WeakPolarHBondContact CZ-O 3.46Å; F48-P326 HydrophobicContact CE1-CG 4.13Å; F48-P326 HydrophobicContact CZ-CG 4.46Å |
| 49 | V | 92.2 | Very high | 95.4 | Very high | 105 Ų | 105 | 32.1 Ų | 32.1 | 64% | 0.636 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -75 | -53 | 166.1 | 172.4 | 0 | 0 | 0 | 0 | 110.1 | L45 S46 Y47 R279 | L45-V49 VanDerWaalsContact O-CG2 3.29Å; L45-V49 WeakPolarHBondContact O-CG2 3.32Å; L45-V49 PolarHBondContact O-N 2.95Å; S46-V49 PolarHBondContact O-N 3.15Å; Y47-V49 VanDerWaalsContact C-N 3.25Å; Y47-V49 PolarHBondContact O-N 2.98Å; V49-R279 PolarHBondContact O-NH1 3.5Å; V49-R279 VanDerWaalsContact O-NH1 3.1Å |
| 50 | S | 91.9 | Very high | 95.6 | Very high | 52 Ų | 52 | 32.1 Ų | 32.1 | 36% | 0.364 | 17% | 0.167 | S | C | . | . | trans | -150.6 | 123.1 | 178.8 | 175 | 0 | 0 | 0 | 0 | 111 | S46 Y47 R52 L53 G54 | S46-S50 CarbonylContact O-C 3.53Å; S46-S50 PolarHBondContact O-N 2.9Å; Y47-S50 CarbonylContact O-C 3.1Å; Y47-S50 PolarHBondContact O-N 3.4Å; S50-R52 VanDerWaalsContact C-N 3.29Å; S50-R52 PolarHBondContact O-N 3.38Å; S50-L53 WeakPolarHBondContact O-CA 3.49Å; S50-L53 WeakPolarHBondContact O-CB 3.37Å; S50-L53 PolarHBondContact O-N 3.15Å; S50-G54 PolarHBondContact O-N 3.28Å | ||
| 51 | N | 92.1 | Very high | 95.8 | Very high | 79 Ų | 79 | 30.3 Ų | 30.3 | 42% | 0.422 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -52.8 | -47.8 | -178.8 | -63.4 | 5.6 | 0 | 0 | 0 | 111.7 | Y47 L53 G54 I55 | Y47-N51 HydrophobicContact CD2-CB 4.3Å; Y47-N51 HydrophobicContact CE2-CB 3.83Å; Y47-N51 PolarHBondContact O-N 3.48Å; Y47-N51 PolarHBondContact O-OD1 3.26Å; N51-L53 VanDerWaalsContact C-N 3.3Å; N51-L53 PolarHBondContact O-N 2.78Å; N51-G54 PolarHBondContact O-N 3.33Å; N51-I55 WeakPolarHBondContact O-CG1 3.31Å; N51-I55 PolarHBondContact O-N 3.35Å |
| 52 | R | 94.4 | Very high | 95.9 | Very high | 135 Ų | 135 | 26.5 Ų | 26.5 | 51% | 0.509 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -59.4 | -39.4 | 177.9 | -176.2 | 177.1 | 174 | 173.4 | -1 | 112.4 | S50 I55 A56 V190 E192 | S50-R52 VanDerWaalsContact C-N 3.29Å; S50-R52 PolarHBondContact O-N 3.38Å; R52-I55 PolarHBondContact O-N 2.92Å; R52-A56 WeakPolarHBondContact O-CB 3.38Å; R52-A56 PolarHBondContact O-N 3.2Å; R52-V190 HydrophobicContact CG-CG1 4.24Å; R52-E192 VanDerWaalsContact CD-OE2 3.31Å; R52-E192 WeakPolarHBondContact CD-OE2 3.37Å; R52-E192 WeakPolarHBondContact CG-OE2 3.13Å |
| 53 | L | 95.8 | Very high | 95.9 | Very high | 23 Ų | 23 | 26.9 Ų | 26.9 | 12% | 0.12 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.8 | -42.6 | 178.6 | -171.6 | 67.7 | 0 | 0 | 0 | 111.1 | S50 N51 A56 V57 V124 P128 | S50-L53 WeakPolarHBondContact O-CA 3.49Å; S50-L53 WeakPolarHBondContact O-CB 3.37Å; S50-L53 PolarHBondContact O-N 3.15Å; N51-L53 VanDerWaalsContact C-N 3.3Å; N51-L53 PolarHBondContact O-N 2.78Å; L53-A56 WeakPolarHBondContact O-CB 3.45Å; L53-A56 PolarHBondContact O-N 3.37Å; L53-V57 WeakPolarHBondContact O-CG2 3.21Å; L53-V57 PolarHBondContact O-N 2.95Å; L53-V124 HydrophobicContact CD1-CG1 3.99Å; L53-V124 VanDerWaalsContact CD1-O 3.29Å; L53-V124 WeakPolarHBondContact CD1-O 3.26Å; L53-P128 HydrophobicContact CD1-CG 4.22Å |
| 54 | G | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.4 | -46.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | F43 S46 S50 N51 A56 V57 L58 | F43-G54 WeakPolarHBondContact CD2-O 3.43Å; S46-G54 WeakPolarHBondContact OG-CA 3.44Å; S50-G54 PolarHBondContact O-N 3.28Å; N51-G54 PolarHBondContact O-N 3.33Å; G54-A56 VanDerWaalsContact C-N 3.28Å; G54-A56 PolarHBondContact O-N 3.36Å; G54-V57 PolarHBondContact O-N 2.87Å; G54-L58 PolarHBondContact O-N 3.46Å; G54-L58 VanDerWaalsContact O-N 3.16Å |
| 55 | I | 97.1 | Very high | 95.9 | Very high | 6 Ų | 6 | 27.6 Ų | 27.6 | 3% | 0.031 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.2 | -43.2 | 175.7 | -63.3 | 168.6 | 0 | 0 | 0 | 110.3 | N51 R52 L58 W59 V190 P191 E192 L261 Q265 | N51-I55 WeakPolarHBondContact O-CG1 3.31Å; N51-I55 PolarHBondContact O-N 3.35Å; R52-I55 PolarHBondContact O-N 2.92Å; I55-L58 PolarHBondContact O-N 3.21Å; I55-W59 VanDerWaalsContact O-CB 3.28Å; I55-W59 WeakPolarHBondContact O-CB 3.36Å; I55-W59 PolarHBondContact O-N 3.44Å; I55-V190 HydrophobicContact CB-CG1 4.09Å; I55-V190 HydrophobicContact CG2-CG1 3.67Å; I55-P191 HydrophobicContact CG2-CG 4.42Å; I55-E192 HydrophobicContact CD1-CB 4.32Å; I55-E192 HydrophobicContact CD1-CG 4.02Å; I55-L261 HydrophobicContact CG1-CD1 4.18Å; I55-L261 HydrophobicContact CG2-CD1 4.39Å; I55-L261 HydrophobicContact CG2-CD2 4.25Å; I55-Q265 HydrophobicContact CD1-CG 4.48Å |
| 56 | A | 97.8 | Very high | 96 | Very high | 4 Ų | 4 | 26.3 Ų | 26.3 | 3% | 0.033 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.3 | -42.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | R52 L53 G54 W59 V60 V124 V190 | R52-A56 WeakPolarHBondContact O-CB 3.38Å; R52-A56 PolarHBondContact O-N 3.2Å; L53-A56 WeakPolarHBondContact O-CB 3.45Å; L53-A56 PolarHBondContact O-N 3.37Å; G54-A56 VanDerWaalsContact C-N 3.28Å; G54-A56 PolarHBondContact O-N 3.36Å; A56-W59 PolarHBondContact O-N 2.91Å; A56-V60 WeakPolarHBondContact O-CB 3.34Å; A56-V60 VanDerWaalsContact O-CG2 3.26Å; A56-V60 WeakPolarHBondContact O-CG2 3.43Å; A56-V60 PolarHBondContact O-N 2.68Å; A56-V124 HydrophobicContact CB-CG1 3.45Å; A56-V124 VanDerWaalsContact CB-CG1 3.45Å; A56-V190 HydrophobicContact CB-CB 4.39Å; A56-V190 HydrophobicContact CB-CG1 3.93Å; A56-V190 HydrophobicContact CB-CG2 3.52Å |
| 57 | V | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.1 | -48.6 | 176.7 | 165.4 | 0 | 0 | 0 | 0 | 111.4 | V42 F43 S46 L53 G54 S61 V121 V125 | V42-V57 HydrophobicContact CB-CG1 4.22Å; V42-V57 HydrophobicContact CG1-CG1 4.02Å; V42-V57 HydrophobicContact CG1-CG2 4.18Å; F43-V57 HydrophobicContact CB-CG1 4.02Å; S46-V57 WeakPolarHBondContact OG-CG2 3.44Å; L53-V57 WeakPolarHBondContact O-CG2 3.21Å; L53-V57 PolarHBondContact O-N 2.95Å; G54-V57 PolarHBondContact O-N 2.87Å; V57-S61 VanDerWaalsContact O-CB 3.26Å; V57-S61 WeakPolarHBondContact O-CB 3.29Å; V57-S61 PolarHBondContact O-N 3.19Å; V57-S61 PolarHBondContact O-OG 3.36Å; V57-V121 HydrophobicContact CG1-CG1 3.98Å; V57-V121 HydrophobicContact CG2-CG1 4.45Å; V57-V125 HydrophobicContact CG2-CG2 3.85Å |
| 58 | L | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.3 | -45.2 | 177.7 | -71.1 | -177.9 | 0 | 0 | 0 | 112.7 | F39 F43 G54 I55 V60 S61 A62 T257 L261 P318 | F39-L58 HydrophobicContact CB-CD2 4.49Å; F39-L58 HydrophobicContact CD1-CD2 3.73Å; F43-L58 HydrophobicContact CB-CD2 3.64Å; F43-L58 HydrophobicContact CB-CG 3.99Å; F43-L58 HydrophobicContact CD1-CD1 3.92Å; F43-L58 HydrophobicContact CD1-CD2 3.76Å; F43-L58 HydrophobicContact CD1-CG 4.01Å; F43-L58 HydrophobicContact CD2-CD1 3.58Å; F43-L58 HydrophobicContact CD2-CD2 3.96Å; F43-L58 HydrophobicContact CD2-CG 3.39Å; F43-L58 HydrophobicContact CE1-CD1 3.72Å; F43-L58 HydrophobicContact CE1-CD2 4.38Å; F43-L58 HydrophobicContact CE1-CG 4.32Å; F43-L58 HydrophobicContact CE2-CD1 3.36Å; F43-L58 HydrophobicContact CE2-CG 3.75Å; F43-L58 HydrophobicContact CG-CD1 3.83Å; F43-L58 HydrophobicContact CG-CD2 3.49Å; F43-L58 VanDerWaalsContact CG-CD2 3.49Å; F43-L58 HydrophobicContact CG-CG 3.51Å; F43-L58 HydrophobicContact CZ-CD1 3.43Å; F43-L58 VanDerWaalsContact CZ-CD1 3.43Å; F43-L58 HydrophobicContact CZ-CG 4.2Å; G54-L58 PolarHBondContact O-N 3.46Å; G54-L58 VanDerWaalsContact O-N 3.16Å; I55-L58 PolarHBondContact O-N 3.21Å; L58-V60 PolarHBondContact O-N 2.98Å; L58-S61 PolarHBondContact O-N 2.96Å; L58-A62 WeakPolarHBondContact O-CB 3.38Å; L58-A62 PolarHBondContact O-N 3.14Å; L58-T257 HydrophobicContact CB-CG2 4.16Å; L58-T257 HydrophobicContact CD1-CG2 4.13Å; L58-T257 HydrophobicContact CD2-CG2 3.72Å; L58-T257 HydrophobicContact CG-CG2 4.23Å; L58-L261 HydrophobicContact CB-CD2 4.32Å; L58-L261 HydrophobicContact CD1-CD1 4.18Å; L58-P318 HydrophobicContact CD1-CB 4.1Å; L58-P318 HydrophobicContact CD1-CG 3.75Å |
| 59 | W | 97.7 | Very high | 96 | Very high | 12 Ų | 12 | 27.4 Ų | 27.4 | 5% | 0.045 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.8 | -48.2 | 179.4 | 176.2 | -114.9 | 0 | 0 | 0 | 112 | I55 A56 L63 R189 P191 F198 F202 L258 | I55-W59 VanDerWaalsContact O-CB 3.28Å; I55-W59 WeakPolarHBondContact O-CB 3.36Å; I55-W59 PolarHBondContact O-N 3.44Å; A56-W59 PolarHBondContact O-N 2.91Å; W59-L63 HydrophobicContact CD2-CD1 3.75Å; W59-L63 HydrophobicContact CD2-CG 4.4Å; W59-L63 HydrophobicContact CE3-CD1 4.05Å; W59-L63 HydrophobicContact CE3-CG 4.38Å; W59-L63 HydrophobicContact CG-CD1 4.49Å; W59-L63 HydrophobicContact CH2-CD1 3.68Å; W59-L63 HydrophobicContact CH2-CG 4.47Å; W59-L63 HydrophobicContact CZ2-CD1 3.33Å; W59-L63 HydrophobicContact CZ2-CG 4.49Å; W59-L63 HydrophobicContact CZ3-CD1 4.02Å; W59-L63 HydrophobicContact CZ3-CG 4.41Å; W59-L63 PolarHBondContact O-N 2.93Å; W59-R189 PolarHBondContact NE1-O 3.39Å; W59-P191 HydrophobicContact CB-CG 4.3Å; W59-P191 HydrophobicContact CD2-CG 3.65Å; W59-P191 HydrophobicContact CE3-CG 3.72Å; W59-P191 HydrophobicContact CG-CG 3.94Å; W59-P191 HydrophobicContact CZ3-CG 4.22Å; W59-F198 AromaticContact CH2-CE1 3.98Å; W59-F198 HydrophobicContact CH2-CE1 3.98Å; W59-F198 HydrophobicContact CH2-CZ 4.07Å; W59-F198 HydrophobicContact CZ3-CE1 4.18Å; W59-F202 AromaticContact CH2-CD1 3.8Å; W59-F202 HydrophobicContact CH2-CD1 3.8Å; W59-F202 HydrophobicContact CH2-CD2 4.31Å; W59-F202 AromaticContact CH2-CE1 3.81Å; W59-F202 HydrophobicContact CH2-CE1 3.81Å; W59-F202 HydrophobicContact CH2-CE2 4.34Å; W59-F202 HydrophobicContact CH2-CG 4.05Å; W59-F202 HydrophobicContact CH2-CZ 4.09Å; W59-F202 HydrophobicContact CZ2-CE1 4.48Å; W59-F202 HydrophobicContact CZ3-CD1 4.37Å; W59-F202 HydrophobicContact CZ3-CG 4.4Å; W59-L258 HydrophobicContact CE3-CD2 3.68Å; W59-L258 HydrophobicContact CZ3-CD1 4.47Å; W59-L258 HydrophobicContact CZ3-CD2 4.02Å |
| 60 | V | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -69.8 | -39.3 | 179.4 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | A56 L58 T64 A120 V124 L186 | A56-V60 WeakPolarHBondContact O-CB 3.34Å; A56-V60 VanDerWaalsContact O-CG2 3.26Å; A56-V60 WeakPolarHBondContact O-CG2 3.43Å; A56-V60 PolarHBondContact O-N 2.68Å; L58-V60 PolarHBondContact O-N 2.98Å; V60-T64 WeakPolarHBondContact O-CB 3.47Å; V60-T64 PolarHBondContact O-N 2.88Å; V60-T64 PolarHBondContact O-OG1 3.26Å; V60-A120 HydrophobicContact CG1-CB 3.55Å; V60-V124 HydrophobicContact CB-CG2 4.15Å; V60-V124 HydrophobicContact CG1-CG2 4.19Å; V60-V124 HydrophobicContact CG2-CG2 3.61Å; V60-L186 HydrophobicContact CG2-CB 3.58Å; V60-L186 HydrophobicContact CG2-CD1 4.5Å |
| 61 | S | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59 | -54.6 | 176.8 | -58.1 | 0 | 0 | 0 | 0 | 110.9 | V57 L58 L63 T64 E65 V121 | V57-S61 VanDerWaalsContact O-CB 3.26Å; V57-S61 WeakPolarHBondContact O-CB 3.29Å; V57-S61 PolarHBondContact O-N 3.19Å; V57-S61 PolarHBondContact O-OG 3.36Å; L58-S61 PolarHBondContact O-N 2.96Å; S61-L63 PolarHBondContact O-N 2.95Å; S61-T64 PolarHBondContact O-N 2.85Å; S61-E65 WeakPolarHBondContact O-CB 3.03Å; S61-E65 PolarHBondContact O-N 2.96Å; S61-V121 WeakPolarHBondContact OG-CG2 3.38Å |
| 62 | A | 97 | Very high | 96.4 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.7 | -44.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F39 L58 W66 D254 L258 | F39-A62 HydrophobicContact CE1-CB 4.29Å; F39-A62 HydrophobicContact CZ-CB 4.5Å; L58-A62 WeakPolarHBondContact O-CB 3.38Å; L58-A62 PolarHBondContact O-N 3.14Å; A62-W66 WeakPolarHBondContact O-CB 3.39Å; A62-W66 PolarHBondContact O-N 3.41Å; A62-D254 WeakPolarHBondContact CA-OD1 3.31Å; A62-D254 HydrophobicContact CB-CB 4.06Å; A62-L258 HydrophobicContact CB-CD1 4.48Å; A62-L258 HydrophobicContact CB-CD2 4.06Å; A62-L258 HydrophobicContact CB-CG 4.04Å |
| 63 | L | 97.4 | Very high | 96.2 | Very high | 19 Ų | 19 | 14.7 Ų | 14.7 | 10% | 0.099 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -73.1 | -33.8 | 179.9 | -71.7 | -179.1 | 0 | 0 | 0 | 113 | W59 S61 L67 L186 M206 | W59-L63 HydrophobicContact CD2-CD1 3.75Å; W59-L63 HydrophobicContact CD2-CG 4.4Å; W59-L63 HydrophobicContact CE3-CD1 4.05Å; W59-L63 HydrophobicContact CE3-CG 4.38Å; W59-L63 HydrophobicContact CG-CD1 4.49Å; W59-L63 HydrophobicContact CH2-CD1 3.68Å; W59-L63 HydrophobicContact CH2-CG 4.47Å; W59-L63 HydrophobicContact CZ2-CD1 3.33Å; W59-L63 HydrophobicContact CZ2-CG 4.49Å; W59-L63 HydrophobicContact CZ3-CD1 4.02Å; W59-L63 HydrophobicContact CZ3-CG 4.41Å; W59-L63 PolarHBondContact O-N 2.93Å; S61-L63 PolarHBondContact O-N 2.95Å; L63-L67 WeakPolarHBondContact O-CB 3.32Å; L63-L67 PolarHBondContact O-N 2.8Å; L63-L186 HydrophobicContact CB-CD1 3.74Å; L63-L186 HydrophobicContact CD1-CD1 4.13Å; L63-L186 HydrophobicContact CD1-CD2 3.64Å; L63-L186 HydrophobicContact CD1-CG 4.5Å; L63-M206 HydrophobicContact CD2-SD 3.73Å |
| 64 | T | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -70.3 | -41.2 | 177.4 | -58.9 | 0 | 0 | 0 | 0 | 110.8 | V60 S61 L67 N68 M116 V117 A120 L182 | V60-T64 WeakPolarHBondContact O-CB 3.47Å; V60-T64 PolarHBondContact O-N 2.88Å; V60-T64 PolarHBondContact O-OG1 3.26Å; S61-T64 PolarHBondContact O-N 2.85Å; T64-L67 PolarHBondContact O-N 3.47Å; T64-N68 VanDerWaalsContact O-CB 3.31Å; T64-N68 WeakPolarHBondContact O-CB 3.32Å; T64-N68 PolarHBondContact O-N 2.98Å; T64-M116 HydrophobicContact CG2-CE 4.16Å; T64-M116 HydrophobicContact CG2-CG 3.72Å; T64-V117 HydrophobicContact CG2-CB 4.47Å; T64-V117 HydrophobicContact CG2-CG2 3.95Å; T64-A120 HydrophobicContact CG2-CB 3.77Å; T64-A120 WeakPolarHBondContact OG1-CB 3.44Å; T64-L182 HydrophobicContact CG2-CD1 3.8Å |
| 65 | E | 95.8 | Very high | 95.9 | Very high | 16 Ų | 16 | 21.9 Ų | 21.9 | 8% | 0.075 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.1 | -44.8 | 176.1 | -178.6 | 153.1 | -122.3 | 0 | 0 | 111.6 | P35 S61 L67 N68 L69 V117 A250 R253 D254 | P35-E65 WeakPolarHBondContact CB-OE1 3.46Å; P35-E65 WeakPolarHBondContact CG-OE1 3.3Å; S61-E65 WeakPolarHBondContact O-CB 3.03Å; S61-E65 PolarHBondContact O-N 2.96Å; E65-L67 PolarHBondContact O-N 3.23Å; E65-N68 WeakPolarHBondContact O-CB 3.32Å; E65-N68 PolarHBondContact O-N 3.07Å; E65-L69 PolarHBondContact O-N 2.98Å; E65-V117 HydrophobicContact CB-CG2 4.04Å; E65-A250 HydrophobicContact CG-CB 4.11Å; E65-R253 IonicContact OE1-CZ 3.54Å; E65-R253 IonicContact OE1-NH2 3.32Å; E65-R253 PolarHBondContact OE1-NH2 3.36Å; E65-R253 IonicContact OE2-CZ 2.68Å; E65-R253 VanDerWaalsContact OE2-CZ 3.26Å; E65-R253 IonicContact OE2-NE 2.91Å; E65-R253 PolarHBondContact OE2-NE 2.71Å; E65-R253 IonicContact OE2-NH2 3.75Å; E65-R253 PolarHBondContact OE2-NH2 2.96Å; E65-D254 WeakPolarHBondContact CG-OD2 3.48Å |
| 66 | W | 96.3 | Very high | 95.6 | Very high | 56 Ų | 56 | 24.5 Ų | 24.5 | 21% | 0.212 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.4 | -46.6 | 172.8 | 169.5 | 81.6 | 0 | 0 | 0 | 113.2 | A62 N68 L69 M70 M206 S209 D254 | A62-W66 WeakPolarHBondContact O-CB 3.39Å; A62-W66 PolarHBondContact O-N 3.41Å; W66-N68 VanDerWaalsContact C-N 3.32Å; W66-N68 PolarHBondContact O-N 3.21Å; W66-L69 WeakPolarHBondContact O-CB 3.4Å; W66-L69 PolarHBondContact O-N 2.92Å; W66-L69 VanDerWaalsContact O-N 3.14Å; W66-M70 HydrophobicContact CD2-CG 4.18Å; W66-M70 HydrophobicContact CH2-CG 4.33Å; W66-M70 HydrophobicContact CZ2-CG 3.75Å; W66-M70 HydrophobicContact CZ2-SD 4.31Å; W66-M70 WeakPolarHBondContact O-CG 3.44Å; W66-M70 PolarHBondContact O-N 3.47Å; W66-M206 HydrophobicContact CB-CE 3.33Å; W66-M206 HydrophobicContact CB-SD 4.48Å; W66-M206 HydrophobicContact CD2-CE 4.46Å; W66-M206 HydrophobicContact CD2-CG 3.97Å; W66-M206 HydrophobicContact CG-CB 4.26Å; W66-M206 HydrophobicContact CG-CE 3.56Å; W66-M206 HydrophobicContact CG-CG 3.91Å; W66-M206 HydrophobicContact CG-SD 4.36Å; W66-M206 PolarHBondContact NE1-O 2.9Å; W66-S209 VanDerWaalsContact CZ2-OG 3.29Å; W66-S209 WeakPolarHBondContact CZ2-OG 3.2Å; W66-D254 PolarHBondContact N-OD2 2.84Å |
| 67 | L | 96.9 | Very high | 95.3 | Very high | 53 Ų | 53 | 24.6 Ų | 24.6 | 28% | 0.277 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -67.2 | -37.2 | 179 | -171.6 | 63.9 | 0 | 0 | 0 | 111.1 | L63 T64 E65 L69 M70 L71 M116 L182 | L63-L67 WeakPolarHBondContact O-CB 3.32Å; L63-L67 PolarHBondContact O-N 2.8Å; T64-L67 PolarHBondContact O-N 3.47Å; E65-L67 PolarHBondContact O-N 3.23Å; L67-L69 PolarHBondContact O-N 3.45Å; L67-M70 PolarHBondContact O-N 2.97Å; L67-L71 HydrophobicContact CD1-CG 4.48Å; L67-L71 HydrophobicContact CG-CD1 4.13Å; L67-L71 HydrophobicContact CG-CG 4.31Å; L67-L71 WeakPolarHBondContact O-CB 3.05Å; L67-L71 VanDerWaalsContact O-CG 3.26Å; L67-L71 WeakPolarHBondContact O-CG 3.47Å; L67-L71 PolarHBondContact O-N 3.41Å; L67-M116 HydrophobicContact CD2-CE 4.47Å; L67-L182 HydrophobicContact CD2-CD1 3.98Å; L67-L182 HydrophobicContact CD2-CD2 3.8Å; L67-L182 HydrophobicContact CD2-CG 4.44Å |
| 68 | N | 96.2 | Very high | 95.1 | Very high | 7 Ų | 7 | 27.3 Ų | 27.3 | 4% | 0.037 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -56.4 | -43.4 | 171.9 | -178.3 | -104.8 | 0 | 0 | 0 | 110.8 | T64 E65 W66 L71 K72 P111 G113 M116 | T64-N68 VanDerWaalsContact O-CB 3.31Å; T64-N68 WeakPolarHBondContact O-CB 3.32Å; T64-N68 PolarHBondContact O-N 2.98Å; E65-N68 WeakPolarHBondContact O-CB 3.32Å; E65-N68 PolarHBondContact O-N 3.07Å; W66-N68 VanDerWaalsContact C-N 3.32Å; W66-N68 PolarHBondContact O-N 3.21Å; N68-L71 PolarHBondContact O-N 3.25Å; N68-K72 WeakPolarHBondContact O-CB 3.16Å; N68-K72 WeakPolarHBondContact O-CG 3.19Å; N68-K72 PolarHBondContact O-N 2.94Å; N68-K72 WeakPolarHBondContact OD1-CD 3.31Å; N68-K72 WeakPolarHBondContact OD1-CE 3.28Å; N68-K72 PolarHBondContact OD1-NZ 3.29Å; N68-P111 PolarHBondContact ND2-O 3.38Å; N68-G113 VanDerWaalsContact CG-CA 3.48Å; N68-G113 WeakPolarHBondContact ND2-CA 3.02Å; N68-G113 VanDerWaalsContact OD1-CA 3.28Å; N68-G113 WeakPolarHBondContact OD1-CA 3.29Å; N68-M116 HydrophobicContact CB-CE 4.43Å; N68-M116 HydrophobicContact CB-SD 3.73Å; N68-M116 PolarHBondContact ND2-SD 2.86Å; N68-M116 VanDerWaalsContact ND2-SD 3.41Å |
| 69 | L | 93.6 | Very high | 95 | Very high | 8 Ų | 8 | 27.5 Ų | 27.5 | 4% | 0.042 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.1 | -49.3 | 176.9 | 172.7 | 60.1 | 0 | 0 | 0 | 112 | E65 W66 L67 L71 K72 W73 P247 L251 | E65-L69 PolarHBondContact O-N 2.98Å; W66-L69 WeakPolarHBondContact O-CB 3.4Å; W66-L69 PolarHBondContact O-N 2.92Å; W66-L69 VanDerWaalsContact O-N 3.14Å; L67-L69 PolarHBondContact O-N 3.45Å; L69-L71 VanDerWaalsContact C-N 3.31Å; L69-L71 PolarHBondContact O-N 2.86Å; L69-K72 WeakPolarHBondContact O-CB 3.47Å; L69-K72 PolarHBondContact O-N 3.44Å; L69-W73 HydrophobicContact CD1-CD2 4.22Å; L69-W73 HydrophobicContact CD1-CZ2 4.11Å; L69-W73 HydrophobicContact CD2-CH2 4.35Å; L69-W73 PolarHBondContact O-N 3.48Å; L69-P247 HydrophobicContact CD1-CB 3.32Å; L69-P247 HydrophobicContact CD1-CG 3.6Å; L69-P247 HydrophobicContact CD2-CB 4.13Å; L69-P247 WeakPolarHBondContact CD2-O 3.39Å; L69-P247 HydrophobicContact CG-CB 4.33Å; L69-L251 HydrophobicContact CD2-CB 4.24Å |
| 70 | M | 94.5 | Very high | 94.9 | Very high | 16 Ų | 16 | 27 Ų | 27 | 8% | 0.079 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.8 | -45.5 | 179.1 | -63.9 | -57.2 | 97.6 | 0 | 0 | 110.8 | W66 L67 K72 W73 V74 A210 L213 | W66-M70 HydrophobicContact CD2-CG 4.18Å; W66-M70 HydrophobicContact CH2-CG 4.33Å; W66-M70 HydrophobicContact CZ2-CG 3.75Å; W66-M70 HydrophobicContact CZ2-SD 4.31Å; W66-M70 WeakPolarHBondContact O-CG 3.44Å; W66-M70 PolarHBondContact O-N 3.47Å; L67-M70 PolarHBondContact O-N 2.97Å; M70-K72 VanDerWaalsContact C-N 3.35Å; M70-K72 PolarHBondContact O-N 3.35Å; M70-W73 HydrophobicContact CE-CE3 3.86Å; M70-W73 HydrophobicContact CE-CZ3 3.66Å; M70-W73 PolarHBondContact O-N 3.19Å; M70-V74 WeakPolarHBondContact O-CG2 3.31Å; M70-V74 PolarHBondContact O-N 3.47Å; M70-V74 VanDerWaalsContact O-N 3.14Å; M70-A210 HydrophobicContact CE-CB 3.44Å; M70-A210 VanDerWaalsContact CE-CB 3.44Å; M70-A210 HydrophobicContact SD-CB 4.11Å; M70-L213 HydrophobicContact CB-CD2 4.28Å; M70-L213 HydrophobicContact SD-CD2 3.76Å |
| 71 | L | 95.3 | Very high | 94.6 | Very high | 55 Ų | 55 | 27.3 Ų | 27.3 | 29% | 0.288 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -63.9 | -38.2 | 178.3 | -69.7 | 174 | 0 | 0 | 0 | 112.1 | L67 N68 L69 W73 V74 L75 P111 M116 | L67-L71 HydrophobicContact CD1-CG 4.48Å; L67-L71 HydrophobicContact CG-CD1 4.13Å; L67-L71 HydrophobicContact CG-CG 4.31Å; L67-L71 WeakPolarHBondContact O-CB 3.05Å; L67-L71 VanDerWaalsContact O-CG 3.26Å; L67-L71 WeakPolarHBondContact O-CG 3.47Å; L67-L71 PolarHBondContact O-N 3.41Å; N68-L71 PolarHBondContact O-N 3.25Å; L69-L71 VanDerWaalsContact C-N 3.31Å; L69-L71 PolarHBondContact O-N 2.86Å; L71-W73 VanDerWaalsContact C-N 3.31Å; L71-W73 PolarHBondContact O-N 3.36Å; L71-V74 PolarHBondContact O-N 2.92Å; L71-V74 VanDerWaalsContact O-N 3.14Å; L71-L75 HydrophobicContact CB-CD1 4.26Å; L71-L75 VanDerWaalsContact O-CB 3.28Å; L71-L75 WeakPolarHBondContact O-CB 3.28Å; L71-L75 VanDerWaalsContact O-CG 3.25Å; L71-L75 WeakPolarHBondContact O-CG 3.41Å; L71-L75 PolarHBondContact O-N 3.19Å; L71-P111 HydrophobicContact CB-CG 4.37Å; L71-P111 HydrophobicContact CD1-CG 4.2Å; L71-M116 HydrophobicContact CD1-CE 4.16Å |
| 72 | K | 93.3 | Very high | 94.5 | Very high | 28 Ų | 28 | 27.3 Ų | 27.3 | 12% | 0.122 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.1 | -42.2 | 175.7 | -83.2 | 173.8 | 170.6 | 165.6 | 0 | 112.8 | N68 L69 M70 V74 F76 P108 S110 P111 | N68-K72 WeakPolarHBondContact O-CB 3.16Å; N68-K72 WeakPolarHBondContact O-CG 3.19Å; N68-K72 PolarHBondContact O-N 2.94Å; N68-K72 WeakPolarHBondContact OD1-CD 3.31Å; N68-K72 WeakPolarHBondContact OD1-CE 3.28Å; N68-K72 PolarHBondContact OD1-NZ 3.29Å; L69-K72 WeakPolarHBondContact O-CB 3.47Å; L69-K72 PolarHBondContact O-N 3.44Å; M70-K72 VanDerWaalsContact C-N 3.35Å; M70-K72 PolarHBondContact O-N 3.35Å; K72-V74 VanDerWaalsContact C-N 3.33Å; K72-F76 PolarHBondContact O-N 2.88Å; K72-P108 HydrophobicContact CB-CB 4.12Å; K72-P108 HydrophobicContact CB-CG 4.38Å; K72-P108 WeakPolarHBondContact CD-O 3.24Å; K72-P108 VanDerWaalsContact CE-O 3.23Å; K72-P108 WeakPolarHBondContact CE-O 3.36Å; K72-P108 WeakPolarHBondContact CG-O 3.46Å; K72-P108 WeakPolarHBondContact O-CB 3.36Å; K72-P108 WeakPolarHBondContact O-CG 3.2Å; K72-S110 WeakPolarHBondContact CA-O 3.29Å; K72-S110 WeakPolarHBondContact CG-O 3.45Å; K72-P111 VanDerWaalsContact CE-O 3.29Å; K72-P111 WeakPolarHBondContact CE-O 3.2Å |
| 73 | W | 91 | Very high | 94.3 | Very high | 6 Ų | 6 | 28.1 Ų | 28.1 | 2% | 0.023 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -69.8 | -29.1 | 176.1 | -72.6 | -20.5 | 0 | 0 | 0 | 113.3 | L69 M70 L71 F76 A210 L213 N214 L217 L224 P247 F248 | L69-W73 HydrophobicContact CD1-CD2 4.22Å; L69-W73 HydrophobicContact CD1-CZ2 4.11Å; L69-W73 HydrophobicContact CD2-CH2 4.35Å; L69-W73 PolarHBondContact O-N 3.48Å; M70-W73 HydrophobicContact CE-CE3 3.86Å; M70-W73 HydrophobicContact CE-CZ3 3.66Å; M70-W73 PolarHBondContact O-N 3.19Å; L71-W73 VanDerWaalsContact C-N 3.31Å; L71-W73 PolarHBondContact O-N 3.36Å; W73-F76 WeakPolarHBondContact O-CE1 3.44Å; W73-F76 WeakPolarHBondContact O-CE2 3.1Å; W73-F76 WeakPolarHBondContact O-CZ 3.39Å; W73-A210 HydrophobicContact CH2-CB 4.45Å; W73-A210 HydrophobicContact CZ3-CB 4.01Å; W73-A210 WeakPolarHBondContact CZ3-O 3.41Å; W73-L213 HydrophobicContact CB-CD2 4.24Å; W73-L213 HydrophobicContact CE3-CD2 3.96Å; W73-L213 HydrophobicContact CE3-CG 4.25Å; W73-N214 HydrophobicContact CH2-CB 4.3Å; W73-N214 HydrophobicContact CZ3-CB 4.27Å; W73-L217 HydrophobicContact CB-CD1 3.87Å; W73-L224 HydrophobicContact CB-CD2 4.27Å; W73-L224 HydrophobicContact CG-CD2 3.93Å; W73-P247 HydrophobicContact CH2-CB 4.26Å; W73-P247 HydrophobicContact CZ2-CB 3.34Å; W73-P247 HydrophobicContact CZ2-CG 3.93Å; W73-F248 HydrophobicContact CH2-CE1 4.22Å; W73-F248 HydrophobicContact CH2-CZ 4.05Å; W73-F248 HydrophobicContact CZ2-CE2 4.38Å; W73-F248 HydrophobicContact CZ2-CZ 4.36Å |
| 74 | V | 92.9 | Very high | 94.1 | Very high | 79 Ų | 79 | 28.6 Ų | 28.6 | 48% | 0.479 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -84.7 | -34.4 | 179.3 | 174.3 | 0 | 0 | 0 | 0 | 112.5 | M70 L71 K72 F76 L213 | M70-V74 WeakPolarHBondContact O-CG2 3.31Å; M70-V74 PolarHBondContact O-N 3.47Å; M70-V74 VanDerWaalsContact O-N 3.14Å; L71-V74 PolarHBondContact O-N 2.92Å; L71-V74 VanDerWaalsContact O-N 3.14Å; K72-V74 VanDerWaalsContact C-N 3.33Å; V74-F76 WeakPolarHBondContact O-CD2 3.36Å; V74-F76 WeakPolarHBondContact O-CE2 3.37Å; V74-L213 HydrophobicContact CG2-CD1 4.15Å; V74-L213 HydrophobicContact CG2-CD2 4.05Å |
| 75 | L | 93.1 | Very high | 93.6 | Very high | 94 Ų | 94 | 29.9 Ų | 29.9 | 49% | 0.492 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -90.4 | -13.7 | -171.9 | -65.1 | 176.2 | 0 | 0 | 0 | 114.2 | L71 G77 | L71-L75 HydrophobicContact CB-CD1 4.26Å; L71-L75 VanDerWaalsContact O-CB 3.28Å; L71-L75 WeakPolarHBondContact O-CB 3.28Å; L71-L75 VanDerWaalsContact O-CG 3.25Å; L71-L75 WeakPolarHBondContact O-CG 3.41Å; L71-L75 PolarHBondContact O-N 3.19Å; L75-G77 PolarHBondContact O-N 3.32Å |
| 76 | F | 89.9 | Confident | 93.4 | Very high | 61 Ų | 61 | 32.7 Ų | 32.7 | 27% | 0.268 | 17% | 0.171 | S | C | . | . | trans | 48.2 | 40 | 175.1 | -60 | -75.7 | 0 | 0 | 0 | 114.4 | K72 W73 V74 E78 L217 I222 L224 W226 | K72-F76 PolarHBondContact O-N 2.88Å; W73-F76 WeakPolarHBondContact O-CE1 3.44Å; W73-F76 WeakPolarHBondContact O-CE2 3.1Å; W73-F76 WeakPolarHBondContact O-CZ 3.39Å; V74-F76 WeakPolarHBondContact O-CD2 3.36Å; V74-F76 WeakPolarHBondContact O-CE2 3.37Å; F76-E78 PolarHBondContact O-N 3.48Å; F76-L217 HydrophobicContact CE2-CD2 4.46Å; F76-L217 HydrophobicContact CZ-CD1 4.1Å; F76-L217 HydrophobicContact CZ-CD2 3.94Å; F76-I222 HydrophobicContact CD1-CG2 4.11Å; F76-I222 HydrophobicContact CE1-CB 4.48Å; F76-I222 HydrophobicContact CE1-CG2 3.15Å; F76-I222 HydrophobicContact CE2-CD1 4.03Å; F76-I222 HydrophobicContact CE2-CG2 4.4Å; F76-I222 HydrophobicContact CZ-CB 4.28Å; F76-I222 HydrophobicContact CZ-CD1 3.77Å; F76-I222 HydrophobicContact CZ-CG1 4.48Å; F76-I222 HydrophobicContact CZ-CG2 3.32Å; F76-L224 HydrophobicContact CE1-CD2 4.43Å; F76-W226 HydrophobicContact CB-CZ2 4.28Å; F76-W226 HydrophobicContact CD1-CZ2 4.34Å; F76-W226 AromaticContact CD1-NE1 3.66Å | ||
| 77 | G | 92.2 | Very high | 92.8 | Very high | 7 Ų | 7 | 31.3 Ų | 31.3 | 7% | 0.072 | 17% | 0.169 | C | C | . | . | trans | -68.5 | 132.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L75 G109 S110 | L75-G77 PolarHBondContact O-N 3.32Å; G77-G109 PolarHBondContact O-N 2.98Å; G77-S110 WeakPolarHBondContact CA-OG 3.2Å | ||
| 78 | E | 94.1 | Very high | 92.1 | Very high | 57 Ų | 57 | 36.6 Ų | 36.6 | 27% | 0.266 | 19% | 0.192 | S | C | . | . | trans | -67.8 | 159.3 | 169.4 | -64.9 | -65.7 | 170.3 | 0 | 0 | 112.1 | F76 W82 W83 F168 Q171 | F76-E78 PolarHBondContact O-N 3.48Å; E78-W82 VanDerWaalsContact OE2-CD1 3.23Å; E78-W82 PolarHBondContact OE2-NE1 3.16Å; E78-W83 HydrophobicContact CB-CB 4.32Å; E78-W83 HydrophobicContact CB-CG 4.37Å; E78-F168 HydrophobicContact CB-CE2 4.22Å; E78-Q171 PolarHBondContact O-NE2 3.16Å | ||
| 79 | R | 94.9 | Very high | 91.5 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 1% | 0.011 | 21% | 0.213 | C | C | . | . | trans | -115 | 147.3 | 170.3 | -67.8 | -174.5 | -175.5 | -114.7 | 13.8 | 111.5 | F81 W82 W83 E105 G107 A166 | R79-F81 VanDerWaalsContact C-N 3.34Å; R79-F81 HydrophobicContact CB-CD1 3.97Å; R79-F81 HydrophobicContact CB-CE1 4.04Å; R79-F81 PolarHBondContact O-N 3.45Å; R79-W82 HydrophobicContact CB-CD2 3.77Å; R79-W82 HydrophobicContact CB-CE3 4.07Å; R79-W82 HydrophobicContact CB-CG 4.48Å; R79-W82 HydrophobicContact CB-CH2 3.84Å; R79-W82 HydrophobicContact CB-CZ2 3.55Å; R79-W82 HydrophobicContact CB-CZ3 4.09Å; R79-W82 VanDerWaalsContact CD-CZ3 3.49Å; R79-W82 HydrophobicContact CG-CD2 4.45Å; R79-W82 HydrophobicContact CG-CE3 4.48Å; R79-W82 HydrophobicContact CG-CH2 3.41Å; R79-W82 VanDerWaalsContact CG-CH2 3.41Å; R79-W82 HydrophobicContact CG-CZ2 3.38Å; R79-W82 HydrophobicContact CG-CZ3 3.99Å; R79-W82 PolarHBondContact O-N 3.36Å; R79-W83 WeakPolarHBondContact O-CB 3.25Å; R79-W83 PolarHBondContact O-N 3.01Å; R79-E105 VanDerWaalsContact CZ-CB 3.43Å; R79-E105 IonicContact CZ-OE2 2.8Å; R79-E105 IonicContact NH1-OE2 3.26Å; R79-E105 PolarHBondContact NH1-OE2 2.96Å; R79-E105 VanDerWaalsContact NH2-CB 3.29Å; R79-E105 IonicContact NH2-OE2 3.14Å; R79-E105 PolarHBondContact NH2-OE2 3.2Å; R79-G107 VanDerWaalsContact CZ-O 3.28Å; R79-G107 PolarHBondContact NE-O 3.06Å; R79-G107 PolarHBondContact NH2-O 3.02Å; R79-A166 WeakPolarHBondContact CD-O 3.28Å; R79-A166 WeakPolarHBondContact CG-O 3.29Å; R79-A166 PolarHBondContact NH1-O 3.06Å | ||
| 80 | P | 94.9 | Very high | 90.8 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.019 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -51.4 | -47.3 | -179.3 | -27.4 | 32.4 | 0 | 0 | 0 | 114.4 | I9 W82 W83 V84 L165 H167 F168 | I9-P80 HydrophobicContact CD1-CB 3.6Å; P80-W82 PolarHBondContact O-N 3.23Å; P80-W83 PolarHBondContact O-N 3.41Å; P80-V84 WeakPolarHBondContact O-CG2 3.23Å; P80-V84 PolarHBondContact O-N 3.33Å; P80-L165 HydrophobicContact CB-CB 4.05Å; P80-L165 HydrophobicContact CB-CD2 4.19Å; P80-L165 WeakPolarHBondContact CB-O 3.25Å; P80-L165 VanDerWaalsContact CD-O 3.31Å; P80-L165 WeakPolarHBondContact CD-O 3.49Å; P80-H167 VanDerWaalsContact CG-C 3.46Å; P80-F168 HydrophobicContact CB-CE1 4.12Å; P80-F168 HydrophobicContact CB-CZ 4.23Å; P80-F168 HydrophobicContact CG-CD1 3.85Å; P80-F168 HydrophobicContact CG-CD2 4.12Å; P80-F168 HydrophobicContact CG-CE1 3.9Å; P80-F168 HydrophobicContact CG-CE2 4.16Å; P80-F168 HydrophobicContact CG-CG 3.97Å; P80-F168 HydrophobicContact CG-CZ 4.06Å |
| 81 | F | 93.4 | Very high | 89.7 | Confident | 6 Ų | 6 | 45.4 Ų | 45.4 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.2 | -32.5 | -170.6 | 79.3 | -93.1 | 0 | 0 | 0 | 114.5 | R79 T103 L165 A231 W234 | R79-F81 VanDerWaalsContact C-N 3.34Å; R79-F81 HydrophobicContact CB-CD1 3.97Å; R79-F81 HydrophobicContact CB-CE1 4.04Å; R79-F81 PolarHBondContact O-N 3.45Å; F81-T103 HydrophobicContact CB-CG2 3.6Å; F81-T103 HydrophobicContact CD1-CG2 3.86Å; F81-T103 HydrophobicContact CD2-CG2 4.39Å; F81-T103 VanDerWaalsContact CE1-O 3.32Å; F81-T103 WeakPolarHBondContact CE1-O 3.14Å; F81-T103 HydrophobicContact CG-CG2 3.72Å; F81-L165 HydrophobicContact CB-CB 3.92Å; F81-L165 HydrophobicContact CB-CD1 4.43Å; F81-L165 PolarHBondContact N-O 2.9Å; F81-A231 HydrophobicContact CZ-CB 4.14Å; F81-W234 HydrophobicContact CD2-CB 4.36Å |
| 82 | W | 93.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -92.9 | -31.2 | 174.8 | 63 | 62.9 | 0 | 0 | 0 | 112.4 | E78 R79 P80 V84 G85 E86 E105 W226 L230 A231 W234 | E78-W82 VanDerWaalsContact OE2-CD1 3.23Å; E78-W82 PolarHBondContact OE2-NE1 3.16Å; R79-W82 HydrophobicContact CB-CD2 3.77Å; R79-W82 HydrophobicContact CB-CE3 4.07Å; R79-W82 HydrophobicContact CB-CG 4.48Å; R79-W82 HydrophobicContact CB-CH2 3.84Å; R79-W82 HydrophobicContact CB-CZ2 3.55Å; R79-W82 HydrophobicContact CB-CZ3 4.09Å; R79-W82 VanDerWaalsContact CD-CZ3 3.49Å; R79-W82 HydrophobicContact CG-CD2 4.45Å; R79-W82 HydrophobicContact CG-CE3 4.48Å; R79-W82 HydrophobicContact CG-CH2 3.41Å; R79-W82 VanDerWaalsContact CG-CH2 3.41Å; R79-W82 HydrophobicContact CG-CZ2 3.38Å; R79-W82 HydrophobicContact CG-CZ3 3.99Å; R79-W82 PolarHBondContact O-N 3.36Å; P80-W82 PolarHBondContact O-N 3.23Å; W82-V84 VanDerWaalsContact C-N 3.31Å; W82-V84 PolarHBondContact O-N 3.06Å; W82-G85 PolarHBondContact O-N 2.83Å; W82-G85 VanDerWaalsContact O-N 3.07Å; W82-E86 PolarHBondContact O-N 3.42Å; W82-E105 WeakPolarHBondContact CZ3-O 3.41Å; W82-W226 HydrophobicContact CZ2-CH2 4.5Å; W82-L230 HydrophobicContact CB-CB 4.24Å; W82-L230 HydrophobicContact CD2-CB 4.01Å; W82-L230 HydrophobicContact CE3-CB 4.21Å; W82-L230 HydrophobicContact CG-CB 4.03Å; W82-L230 HydrophobicContact CG-CD1 4.39Å; W82-A231 HydrophobicContact CE3-CB 4.21Å; W82-A231 HydrophobicContact CZ3-CB 4.01Å; W82-W234 HydrophobicContact CB-CB 3.7Å; W82-W234 HydrophobicContact CB-CG 3.82Å |
| 83 | W | 94.3 | Very high | 88 | Confident | 17 Ų | 17 | 51.4 Ų | 51.4 | 6% | 0.064 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.2 | -35.5 | -176.8 | -178 | 80.1 | 0 | 0 | 0 | 112.4 | E2 H5 I9 E78 R79 P80 G85 E86 C87 L89 F90 F168 | E2-W83 HydrophobicContact CB-CZ2 4.49Å; H5-W83 HydrophobicContact CB-CD2 3.79Å; H5-W83 HydrophobicContact CB-CE3 3.76Å; H5-W83 HydrophobicContact CB-CH2 3.39Å; H5-W83 HydrophobicContact CB-CZ2 3.43Å; H5-W83 VanDerWaalsContact CB-CZ2 3.43Å; H5-W83 HydrophobicContact CB-CZ3 3.54Å; H5-W83 AromaticContact CG-CE2 3.93Å; H5-W83 AromaticContact ND1-CD1 3.71Å; H5-W83 AromaticContact ND1-CD2 3.87Å; H5-W83 AromaticContact ND1-CE2 3.44Å; H5-W83 AromaticContact ND1-CZ2 3.96Å; H5-W83 AromaticContact ND1-NE1 3.32Å; H5-W83 PolarHBondContact ND1-NE1 3.23Å; I9-W83 HydrophobicContact CD1-CE3 4.3Å; I9-W83 HydrophobicContact CG1-CE3 3.9Å; I9-W83 HydrophobicContact CG1-CZ3 3.78Å; E78-W83 HydrophobicContact CB-CB 4.32Å; E78-W83 HydrophobicContact CB-CG 4.37Å; R79-W83 WeakPolarHBondContact O-CB 3.25Å; R79-W83 PolarHBondContact O-N 3.01Å; P80-W83 PolarHBondContact O-N 3.41Å; W83-G85 PolarHBondContact O-N 2.96Å; W83-E86 PolarHBondContact O-N 3.22Å; W83-C87 HydrophobicContact CD2-CB 4.13Å; W83-C87 HydrophobicContact CH2-CB 4.06Å; W83-C87 HydrophobicContact CZ2-CB 3.58Å; W83-C87 WeakPolarHBondContact O-CB 3.41Å; W83-C87 PolarHBondContact O-N 3Å; W83-C87 PolarHBondContact O-SG 3.05Å; W83-L89 HydrophobicContact CH2-CD1 4.08Å; W83-L89 HydrophobicContact CZ2-CD1 4.27Å; W83-F90 HydrophobicContact CE3-CE2 4.33Å; W83-F90 HydrophobicContact CH2-CE2 4.29Å; W83-F90 AromaticContact CZ3-CE2 3.63Å; W83-F90 HydrophobicContact CZ3-CE2 3.63Å; W83-F90 HydrophobicContact CZ3-CZ 4.11Å; W83-F168 HydrophobicContact CB-CE2 4.42Å; W83-F168 HydrophobicContact CB-CZ 4.01Å; W83-F168 AromaticContact CD2-CZ 3.96Å; W83-F168 HydrophobicContact CD2-CZ 3.96Å; W83-F168 HydrophobicContact CE3-CE1 4.28Å; W83-F168 AromaticContact CE3-CZ 3.87Å; W83-F168 HydrophobicContact CE3-CZ 3.87Å; W83-F168 HydrophobicContact CG-CZ 4.01Å |
| 84 | V | 92.1 | Very high | 87.7 | Confident | 28 Ų | 28 | 59.1 Ų | 59.1 | 17% | 0.17 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.3 | -36 | 174 | 168.7 | 0 | 0 | 0 | 0 | 111.9 | I9 P80 W82 F90 P95 I97 | I9-V84 HydrophobicContact CB-CG2 4.38Å; I9-V84 HydrophobicContact CD1-CG2 3.35Å; I9-V84 HydrophobicContact CG1-CG2 3.56Å; I9-V84 HydrophobicContact CG2-CG2 3.85Å; P80-V84 WeakPolarHBondContact O-CG2 3.23Å; P80-V84 PolarHBondContact O-N 3.33Å; W82-V84 VanDerWaalsContact C-N 3.31Å; W82-V84 PolarHBondContact O-N 3.06Å; V84-F90 HydrophobicContact CB-CD2 4.38Å; V84-F90 HydrophobicContact CG1-CD2 3.97Å; V84-F90 HydrophobicContact CG2-CD2 4.35Å; V84-F90 HydrophobicContact CG2-CE2 4.08Å; V84-P95 HydrophobicContact CG1-CG 3.97Å; V84-I97 HydrophobicContact CB-CD1 4.36Å; V84-I97 HydrophobicContact CG1-CD1 4.25Å; V84-I97 HydrophobicContact CG2-CD1 3.85Å |
| 85 | G | 87.6 | Confident | 87.4 | Confident | 27 Ų | 27 | 56.1 Ų | 56.1 | 28% | 0.278 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -75.3 | -36.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | W82 W83 W234 | W82-G85 PolarHBondContact O-N 2.83Å; W82-G85 VanDerWaalsContact O-N 3.07Å; W83-G85 PolarHBondContact O-N 2.96Å; G85-W234 VanDerWaalsContact CA-CZ2 3.48Å; G85-W234 VanDerWaalsContact O-CH2 3.28Å; G85-W234 WeakPolarHBondContact O-CH2 3.3Å; G85-W234 WeakPolarHBondContact O-CZ2 3.45Å |
| 86 | E | 90.8 | Very high | 87.3 | Confident | 76 Ų | 76 | 60.6 Ų | 60.6 | 36% | 0.355 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -82.5 | -36.4 | -175.7 | -70.2 | -62.6 | 139.5 | 0 | 0 | 113.8 | W82 W83 Q88 L230 K233 W234 | W82-E86 PolarHBondContact O-N 3.42Å; W83-E86 PolarHBondContact O-N 3.22Å; E86-Q88 PolarHBondContact O-N 2.77Å; E86-L230 HydrophobicContact CG-CD2 3.89Å; E86-K233 WeakPolarHBondContact OE1-CE 3.47Å; E86-K233 IonicContact OE1-NZ 3.03Å; E86-K233 PolarHBondContact OE1-NZ 3.46Å; E86-W234 HydrophobicContact CG-CZ2 4.41Å; E86-W234 WeakPolarHBondContact OE1-CZ2 3.46Å; E86-W234 PolarHBondContact OE1-NE1 3.2Å |
| 87 | C | 85.2 | Confident | 87.4 | Confident | 26 Ų | 26 | 59.6 Ų | 59.6 | 18% | 0.176 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -70.1 | -8.1 | -166.3 | 64.8 | 0 | 0 | 0 | 0 | 115.6 | W83 L89 F90 | W83-C87 HydrophobicContact CD2-CB 4.13Å; W83-C87 HydrophobicContact CH2-CB 4.06Å; W83-C87 HydrophobicContact CZ2-CB 3.58Å; W83-C87 WeakPolarHBondContact O-CB 3.41Å; W83-C87 PolarHBondContact O-N 3Å; W83-C87 PolarHBondContact O-SG 3.05Å; C87-L89 HydrophobicContact CB-CD1 4.23Å; C87-L89 HydrophobicContact CB-CG 4.29Å; C87-L89 WeakPolarHBondContact O-CG 3.46Å; C87-L89 PolarHBondContact O-N 2.88Å; C87-F90 VanDerWaalsContact SG-CD2 3.57Å |
| 88 | Q | 82.6 | Confident | 87.4 | Confident | 164 Ų | 164 | 62 Ų | 62 | 77% | 0.766 | 33% | 0.327 | S | S | * | . | S | Bend | trans | 54.6 | 1 | -175.6 | -56.3 | -174.3 | 2.2 | 0 | 0 | 115.7 | E86 F90 V91 | E86-Q88 PolarHBondContact O-N 2.77Å; Q88-F90 PolarHBondContact O-N 2.95Å; Q88-V91 VanDerWaalsContact O-CG2 3.27Å; Q88-V91 WeakPolarHBondContact O-CG2 3.35Å |
| 89 | L | 81.7 | Confident | 87.4 | Confident | 91 Ų | 91 | 61.5 Ų | 61.5 | 48% | 0.476 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -21.8 | -177.2 | -67.6 | 172.3 | 0 | 0 | 0 | 113.2 | E2 W83 C87 | E2-L89 HydrophobicContact CB-CD1 4.44Å; W83-L89 HydrophobicContact CH2-CD1 4.08Å; W83-L89 HydrophobicContact CZ2-CD1 4.27Å; C87-L89 HydrophobicContact CB-CD1 4.23Å; C87-L89 HydrophobicContact CB-CG 4.29Å; C87-L89 WeakPolarHBondContact O-CG 3.46Å; C87-L89 PolarHBondContact O-N 2.88Å |
| 90 | F | 79.2 | Confident | 87.3 | Confident | 16 Ų | 16 | 62 Ų | 62 | 7% | 0.07 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 24.3 | -175.2 | -59.3 | -72.3 | 0 | 0 | 0 | 113.7 | T6 I9 W10 W83 V84 C87 Q88 T93 K94 P95 | T6-F90 HydrophobicContact CG2-CE1 4.42Å; T6-F90 HydrophobicContact CG2-CZ 4.24Å; I9-F90 HydrophobicContact CB-CZ 3.98Å; I9-F90 HydrophobicContact CG1-CE2 4.23Å; I9-F90 HydrophobicContact CG1-CZ 4.09Å; I9-F90 HydrophobicContact CG2-CE1 4.36Å; I9-F90 HydrophobicContact CG2-CE2 4.4Å; I9-F90 HydrophobicContact CG2-CZ 3.9Å; W10-F90 HydrophobicContact CZ2-CD1 4.39Å; W10-F90 AromaticContact CZ2-CE1 3.92Å; W10-F90 HydrophobicContact CZ2-CE1 3.92Å; W83-F90 HydrophobicContact CE3-CE2 4.33Å; W83-F90 HydrophobicContact CH2-CE2 4.29Å; W83-F90 AromaticContact CZ3-CE2 3.63Å; W83-F90 HydrophobicContact CZ3-CE2 3.63Å; W83-F90 HydrophobicContact CZ3-CZ 4.11Å; V84-F90 HydrophobicContact CB-CD2 4.38Å; V84-F90 HydrophobicContact CG1-CD2 3.97Å; V84-F90 HydrophobicContact CG2-CD2 4.35Å; V84-F90 HydrophobicContact CG2-CE2 4.08Å; C87-F90 VanDerWaalsContact SG-CD2 3.57Å; Q88-F90 PolarHBondContact O-N 2.95Å; F90-T93 WeakPolarHBondContact CD1-O 3.28Å; F90-K94 VanDerWaalsContact O-CG 3.25Å; F90-K94 WeakPolarHBondContact O-CG 3.32Å; F90-P95 HydrophobicContact CD1-CG 4.16Å; F90-P95 HydrophobicContact CE1-CG 4.43Å; F90-P95 HydrophobicContact CG-CG 4.27Å |
| 91 | V | 72.8 | Confident | 87 | Confident | 110 Ų | 110 | 65.2 Ų | 65.2 | 67% | 0.667 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -66.4 | -42.5 | 179.4 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | Q88 | Q88-V91 VanDerWaalsContact O-CG2 3.27Å; Q88-V91 WeakPolarHBondContact O-CG2 3.35Å |
| 92 | S | 71.2 | Confident | 86.7 | Confident | 119 Ų | 119 | 66 Ų | 66 | 83% | 0.832 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -91.4 | -29.3 | -178.3 | -54.4 | 0 | 0 | 0 | 0 | 113.9 | ||
| 93 | T | 80.2 | Confident | 86.6 | Confident | 89 Ų | 89 | 66 Ų | 66 | 55% | 0.546 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -129.2 | 92 | -180 | -46.2 | 0 | 0 | 0 | 0 | 108.8 | W10 F90 | W10-T93 HydrophobicContact CH2-CG2 3.86Å; F90-T93 WeakPolarHBondContact CD1-O 3.28Å |
| 94 | K | 84.6 | Confident | 86.4 | Confident | 169 Ų | 169 | 65.4 Ų | 65.4 | 74% | 0.735 | 35% | 0.353 | S | S | * | . | trans | -79.2 | 125.3 | -179 | -71.8 | -177.8 | -179.2 | -179.7 | 0 | 110.4 | F90 | F90-K94 VanDerWaalsContact O-CG 3.25Å; F90-K94 WeakPolarHBondContact O-CG 3.32Å | ||
| 95 | P | 87.4 | Confident | 86.3 | Confident | 16 Ų | 16 | 64.6 Ų | 64.6 | 10% | 0.104 | 35% | 0.347 | C | S | . | . | trans | -68.9 | 140.1 | 175.8 | 29.3 | -34.4 | 0 | 0 | 0 | 110.3 | I9 E13 V84 F90 I97 | I9-P95 HydrophobicContact CG2-CB 3.79Å; I9-P95 HydrophobicContact CG2-CG 3.78Å; E13-P95 WeakPolarHBondContact OE2-CA 3.3Å; E13-P95 VanDerWaalsContact OE2-CB 3.24Å; E13-P95 WeakPolarHBondContact OE2-CB 3.24Å; V84-P95 HydrophobicContact CG1-CG 3.97Å; F90-P95 HydrophobicContact CD1-CG 4.16Å; F90-P95 HydrophobicContact CE1-CG 4.43Å; F90-P95 HydrophobicContact CG-CG 4.27Å; P95-I97 HydrophobicContact CB-CG1 4.45Å; P95-I97 HydrophobicContact CB-CG2 4.22Å; P95-I97 HydrophobicContact CG-CD1 4.19Å; P95-I97 HydrophobicContact CG-CG1 4.26Å; P95-I97 PolarHBondContact O-N 3.28Å | ||
| 96 | R | 90.1 | Very high | 86.2 | Confident | 188 Ų | 188 | 63.5 Ų | 63.5 | 71% | 0.709 | 34% | 0.335 | S | S | * | . | trans | -83.5 | 62.9 | 178.6 | -63.3 | 177.3 | 176.2 | -177.8 | 0.2 | 111.4 | E13 E17 | E13-R96 HydrophobicContact CG-CB 4.36Å; E13-R96 WeakPolarHBondContact OE1-CB 3.18Å; E13-R96 PolarHBondContact OE1-N 2.87Å; E17-R96 WeakPolarHBondContact OE1-CD 2.94Å | ||
| 97 | I | 92.1 | Very high | 86 | Confident | 39 Ų | 39 | 60.2 Ų | 60.2 | 20% | 0.2 | 32% | 0.322 | C | S | . | . | trans | -104.3 | 143.8 | -179.2 | 58.5 | 172.8 | 0 | 0 | 0 | 111.7 | E13 V84 P95 L165 | E13-I97 HydrophobicContact CB-CG2 3.82Å; E13-I97 HydrophobicContact CG-CG2 4.48Å; V84-I97 HydrophobicContact CB-CD1 4.36Å; V84-I97 HydrophobicContact CG1-CD1 4.25Å; V84-I97 HydrophobicContact CG2-CD1 3.85Å; P95-I97 HydrophobicContact CB-CG1 4.45Å; P95-I97 HydrophobicContact CB-CG2 4.22Å; P95-I97 HydrophobicContact CG-CD1 4.19Å; P95-I97 HydrophobicContact CG-CG1 4.26Å; P95-I97 PolarHBondContact O-N 3.28Å; I97-L165 HydrophobicContact CB-CD1 3.99Å; I97-L165 HydrophobicContact CB-CD2 4.12Å; I97-L165 HydrophobicContact CD1-CD1 3.91Å; I97-L165 HydrophobicContact CD1-CD2 3.98Å; I97-L165 HydrophobicContact CG1-CD1 4.21Å; I97-L165 HydrophobicContact CG2-CD2 4.13Å | ||
| 98 | S | 93.3 | Very high | 86.3 | Confident | 57 Ų | 57 | 59.1 Ų | 59.1 | 40% | 0.399 | 31% | 0.314 | S | S | . | . | trans | -115 | 143 | 178.4 | -55.9 | 0 | 0 | 0 | 0 | 110.4 | Q16 F100 L165 | Q16-S98 PolarHBondContact NE2-O 3.46Å; S98-F100 WeakPolarHBondContact O-CE2 3Å; S98-L165 VanDerWaalsContact O-CD1 3.25Å; S98-L165 WeakPolarHBondContact O-CD1 3.42Å | ||
| 99 | Q | 93.8 | Very high | 86.7 | Confident | 48 Ų | 48 | 51.3 Ų | 51.3 | 22% | 0.224 | 28% | 0.278 | C | S | . | . | trans | -94.2 | 154.2 | 170.5 | -60.9 | -171.7 | 17 | 0 | 0 | 110.3 | T103 L165 W234 S236 W240 | Q99-T103 HydrophobicContact CB-CG2 4.07Å; Q99-T103 HydrophobicContact CG-CG2 3.99Å; Q99-L165 HydrophobicContact CG-CD1 4.25Å; Q99-W234 PolarHBondContact NE2-O 3.46Å; Q99-S236 PolarHBondContact OE1-OG 3.48Å; Q99-W240 HydrophobicContact CB-CZ3 4.07Å | ||
| 100 | F | 92.3 | Very high | 87.3 | Confident | 12 Ų | 12 | 47.8 Ų | 47.8 | 5% | 0.053 | 26% | 0.261 | C | S | . | . | trans | -127.7 | 166.5 | -179.7 | -54.1 | -82.5 | 0 | 0 | 0 | 110.3 | E23 L27 S98 C102 T103 F163 I164 W240 | E23-F100 VanDerWaalsContact CD-CE1 3.48Å; E23-F100 HydrophobicContact CG-CD1 4.22Å; E23-F100 HydrophobicContact CG-CE1 3.63Å; E23-F100 HydrophobicContact CG-CZ 4.34Å; L27-F100 HydrophobicContact CD1-CD1 4.39Å; L27-F100 HydrophobicContact CD2-CB 3.79Å; L27-F100 HydrophobicContact CD2-CD1 4.17Å; L27-F100 HydrophobicContact CD2-CG 3.91Å; S98-F100 WeakPolarHBondContact O-CE2 3Å; F100-C102 PolarHBondContact O-N 2.89Å; F100-T103 PolarHBondContact N-OG1 3.27Å; F100-T103 WeakPolarHBondContact O-CB 3.33Å; F100-T103 PolarHBondContact O-N 2.98Å; F100-T103 PolarHBondContact O-OG1 3.13Å; F100-F163 HydrophobicContact CD2-CE1 4.46Å; F100-F163 HydrophobicContact CE1-CE1 4.15Å; F100-F163 AromaticContact CE2-CD1 3.92Å; F100-F163 HydrophobicContact CE2-CD1 3.92Å; F100-F163 AromaticContact CE2-CE1 3.58Å; F100-F163 HydrophobicContact CE2-CE1 3.58Å; F100-F163 HydrophobicContact CE2-CZ 4.4Å; F100-F163 HydrophobicContact CZ-CD1 4.2Å; F100-F163 AromaticContact CZ-CE1 3.39Å; F100-F163 HydrophobicContact CZ-CE1 3.39Å; F100-F163 AromaticContact CZ-CZ 3.9Å; F100-F163 HydrophobicContact CZ-CZ 3.9Å; F100-I164 HydrophobicContact CD2-CB 4.05Å; F100-I164 HydrophobicContact CD2-CG2 3.98Å; F100-W240 VanDerWaalsContact O-CE3 3.31Å | ||
| 101 | P | 89.2 | Confident | 88.1 | Confident | 71 Ų | 71 | 47.1 Ų | 47.1 | 46% | 0.461 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -25.9 | 178.9 | -29.3 | 36.3 | 0 | 0 | 0 | 115.7 | W240 | P101-W240 HydrophobicContact CB-CD2 4.35Å; P101-W240 HydrophobicContact CB-CG 4.34Å; P101-W240 HydrophobicContact CG-CD2 4.47Å; P101-W240 HydrophobicContact CG-CZ2 3.98Å |
| 102 | C | 87.9 | Confident | 89.3 | Confident | 24 Ų | 24 | 41.9 Ų | 41.9 | 16% | 0.162 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 2.8 | 177.6 | 57 | 0 | 0 | 0 | 0 | 114.4 | L27 F100 I164 | L27-C102 VanDerWaalsContact CD2-SG 3.56Å; F100-C102 PolarHBondContact O-N 2.89Å; C102-I164 HydrophobicContact CB-CD1 4.32Å |
| 103 | T | 91.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -41.6 | -179 | -64.8 | 0 | 0 | 0 | 0 | 112.5 | F81 Q99 F100 E105 I164 L165 | F81-T103 HydrophobicContact CB-CG2 3.6Å; F81-T103 HydrophobicContact CD1-CG2 3.86Å; F81-T103 HydrophobicContact CD2-CG2 4.39Å; F81-T103 VanDerWaalsContact CE1-O 3.32Å; F81-T103 WeakPolarHBondContact CE1-O 3.14Å; F81-T103 HydrophobicContact CG-CG2 3.72Å; Q99-T103 HydrophobicContact CB-CG2 4.07Å; Q99-T103 HydrophobicContact CG-CG2 3.99Å; F100-T103 PolarHBondContact N-OG1 3.27Å; F100-T103 WeakPolarHBondContact O-CB 3.33Å; F100-T103 PolarHBondContact O-N 2.98Å; F100-T103 PolarHBondContact O-OG1 3.13Å; T103-E105 PolarHBondContact O-N 3.2Å; T103-I164 VanDerWaalsContact CB-O 3.32Å; T103-I164 WeakPolarHBondContact CB-O 3.45Å; T103-I164 WeakPolarHBondContact CG2-O 3.38Å; T103-I164 PolarHBondContact OG1-O 2.95Å; T103-L165 HydrophobicContact CG2-CB 4.12Å |
| 104 | C | 89.1 | Confident | 91.1 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.02 | 17% | 0.166 | C | C | . | . | trans | -83.2 | 53.7 | -164.6 | -57.9 | 0 | 0 | 0 | 0 | 114.4 | C235 W240 V241 | C104-C235 HydrophobicContact CB-CB 3.7Å; C104-C235 WeakPolarHBondContact CB-SG 3.35Å; C104-C235 VanDerWaalsContact SG-CA 3.54Å; C104-C235 WeakPolarHBondContact SG-CB 3.41Å; C104-C235 CovalentContact SG-SG 2.02Å; C104-C235 PolarHBondContact SG-SG 2.9Å; C104-W240 HydrophobicContact CB-CB 4.08Å; C104-V241 HydrophobicContact CB-CG2 4.28Å | ||
| 105 | E | 89.4 | Confident | 91.7 | Very high | 12 Ų | 12 | 24.9 Ų | 24.9 | 6% | 0.056 | 13% | 0.131 | C | C | . | . | trans | -71.6 | 142.4 | 173.1 | -62.2 | -170.1 | 174.2 | 0 | 0 | 111.8 | R79 W82 T103 H114 R161 T245 | R79-E105 VanDerWaalsContact CZ-CB 3.43Å; R79-E105 IonicContact CZ-OE2 2.8Å; R79-E105 IonicContact NH1-OE2 3.26Å; R79-E105 PolarHBondContact NH1-OE2 2.96Å; R79-E105 VanDerWaalsContact NH2-CB 3.29Å; R79-E105 IonicContact NH2-OE2 3.14Å; R79-E105 PolarHBondContact NH2-OE2 3.2Å; W82-E105 WeakPolarHBondContact CZ3-O 3.41Å; T103-E105 PolarHBondContact O-N 3.2Å; E105-H114 IonicContact OE1-CE1 2.64Å; E105-R161 IonicContact OE1-CZ 2.69Å; E105-R161 VanDerWaalsContact OE1-CZ 3.32Å; E105-R161 IonicContact OE1-NH1 2.71Å; E105-R161 PolarHBondContact OE1-NH1 2.93Å; E105-R161 VanDerWaalsContact OE1-NH1 3.14Å; E105-R161 IonicContact OE1-NH2 2.8Å; E105-R161 PolarHBondContact OE1-NH2 3.31Å; E105-R161 IonicContact OE2-NH2 3.17Å; E105-R161 PolarHBondContact OE2-NH2 2.64Å; E105-T245 HydrophobicContact CB-CG2 4.5Å; E105-T245 HydrophobicContact CG-CG2 4.18Å | ||
| 106 | T | 86.9 | Confident | 92.2 | Very high | 4 Ų | 4 | 24.1 Ų | 24.1 | 3% | 0.025 | 13% | 0.126 | C | C | . | . | trans | -94.5 | -22 | -168.9 | 59.1 | 0 | 0 | 0 | 0 | 115.2 | S227 A231 V241 T245 | T106-S227 CarbonylContact O-C 3.38Å; T106-S227 WeakPolarHBondContact O-CB 3.42Å; T106-S227 PolarHBondContact O-OG 3.04Å; T106-A231 HydrophobicContact CG2-CB 4.22Å; T106-V241 HydrophobicContact CG2-CG1 3.53Å; T106-T245 PolarHBondContact N-OG1 2.84Å; T106-T245 PolarHBondContact OG1-OG1 3.26Å | ||
| 107 | G | 86.6 | Confident | 92.6 | Very high | 7 Ų | 7 | 15.3 Ų | 15.3 | 7% | 0.072 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -81.1 | 163 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R79 | R79-G107 VanDerWaalsContact CZ-O 3.28Å; R79-G107 PolarHBondContact NE-O 3.06Å; R79-G107 PolarHBondContact NH2-O 3.02Å |
| 108 | P | 91.1 | Very high | 92.8 | Very high | 3 Ų | 3 | 14 Ų | 14 | 2% | 0.019 | 9% | 0.086 | C | C | . | . | trans | -55.9 | 154.4 | 176.2 | -24.5 | 34 | 0 | 0 | 0 | 113.7 | K72 W226 | K72-P108 HydrophobicContact CB-CB 4.12Å; K72-P108 HydrophobicContact CB-CG 4.38Å; K72-P108 WeakPolarHBondContact CD-O 3.24Å; K72-P108 VanDerWaalsContact CE-O 3.23Å; K72-P108 WeakPolarHBondContact CE-O 3.36Å; K72-P108 WeakPolarHBondContact CG-O 3.46Å; K72-P108 WeakPolarHBondContact O-CB 3.36Å; K72-P108 WeakPolarHBondContact O-CG 3.2Å; P108-W226 HydrophobicContact CB-CZ2 4.15Å; P108-W226 HydrophobicContact CG-CZ2 4.09Å | ||
| 109 | G | 91.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 7% | 0.067 | C | C | . | . | trans | -84 | -18.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | G77 P111 H167 Q171 | G77-G109 PolarHBondContact O-N 2.98Å; G109-P111 CarbonylContact O-C 3.52Å; G109-H167 PolarHBondContact O-CE1 3.29Å; G109-H167 PolarHBondContact O-ND1 2.98Å; G109-Q171 PolarHBondContact O-OE1 3.07Å | ||
| 110 | S | 93.8 | Very high | 93.3 | Very high | 17 Ų | 17 | 9 Ų | 9 | 12% | 0.119 | 6% | 0.057 | C | C | . | . | S | Bend | trans | -113.3 | 125.2 | -171.7 | -68.1 | 0 | 0 | 0 | 0 | 113.5 | K72 G77 Q171 | K72-S110 WeakPolarHBondContact CA-O 3.29Å; K72-S110 WeakPolarHBondContact CG-O 3.45Å; G77-S110 WeakPolarHBondContact CA-OG 3.2Å; S110-Q171 VanDerWaalsContact OG-CG 3.31Å; S110-Q171 WeakPolarHBondContact OG-CG 3.4Å; S110-Q171 PolarHBondContact OG-NE2 3.48Å |
| 111 | P | 96.6 | Very high | 93.5 | Very high | 2 Ų | 2 | 8.6 Ų | 8.6 | 1% | 0.013 | 6% | 0.055 | C | C | . | . | S | Bend | cis | -85.4 | 169 | -9.4 | 31.3 | -26.3 | 0 | 0 | 0 | 112.6 | N68 L71 K72 G109 G113 M116 T174 | N68-P111 PolarHBondContact ND2-O 3.38Å; L71-P111 HydrophobicContact CB-CG 4.37Å; L71-P111 HydrophobicContact CD1-CG 4.2Å; K72-P111 VanDerWaalsContact CE-O 3.29Å; K72-P111 WeakPolarHBondContact CE-O 3.2Å; G109-P111 CarbonylContact O-C 3.52Å; P111-G113 PolarHBondContact O-N 2.8Å; P111-G113 VanDerWaalsContact O-N 3.13Å; P111-M116 HydrophobicContact CG-SD 3.83Å; P111-T174 HydrophobicContact CB-CG2 4.18Å |
| 112 | S | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.05 | C | C | . | . | trans | -61.9 | 113.4 | 176.6 | 174.3 | 0 | 0 | 0 | 0 | 111.5 | S115 M116 H167 Q171 | S112-S115 WeakPolarHBondContact OG-CB 3.42Å; S112-S115 PolarHBondContact OG-N 3.19Å; S112-S115 PolarHBondContact OG-OG 3.24Å; S112-M116 WeakPolarHBondContact O-CB 3.5Å; S112-M116 PolarHBondContact O-N 3.45Å; S112-H167 PolarHBondContact OG-CD2 3.02Å; S112-Q171 PolarHBondContact N-O 2.96Å | ||
| 113 | G | 94.5 | Very high | 94.4 | Very high | 3 Ų | 3 | 11.6 Ų | 11.6 | 3% | 0.031 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -67.4 | -42.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | N68 P111 S115 M116 V117 | N68-G113 VanDerWaalsContact CG-CA 3.48Å; N68-G113 WeakPolarHBondContact ND2-CA 3.02Å; N68-G113 VanDerWaalsContact OD1-CA 3.28Å; N68-G113 WeakPolarHBondContact OD1-CA 3.29Å; P111-G113 PolarHBondContact O-N 2.8Å; P111-G113 VanDerWaalsContact O-N 3.13Å; G113-S115 VanDerWaalsContact C-N 3.33Å; G113-S115 PolarHBondContact O-N 2.99Å; G113-M116 PolarHBondContact O-N 3.47Å; G113-V117 WeakPolarHBondContact O-CB 3.41Å; G113-V117 WeakPolarHBondContact O-CG2 3.19Å; G113-V117 PolarHBondContact O-N 3.43Å |
| 114 | H | 95.1 | Very high | 94.6 | Very high | 16 Ų | 16 | 12.3 Ų | 12.3 | 7% | 0.074 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -58.6 | -47.3 | 176.7 | -76.1 | 57.6 | 0 | 0 | 0 | 110.9 | T30 G33 D34 E105 T118 V157 R161 | T30-H114 PolarHBondContact O-CD2 3.38Å; T30-H114 VanDerWaalsContact O-CD2 3.31Å; G33-H114 WeakPolarHBondContact O-CA 3.49Å; G33-H114 WeakPolarHBondContact O-CB 3.15Å; G33-H114 PolarHBondContact O-CD2 2.84Å; D34-H114 PolarHBondContact N-CD2 3.45Å; E105-H114 IonicContact OE1-CE1 2.64Å; H114-T118 WeakPolarHBondContact O-CB 3.33Å; H114-T118 PolarHBondContact O-N 2.71Å; H114-T118 PolarHBondContact O-OG1 2.88Å; H114-V157 HydrophobicContact CB-CG1 4.27Å; H114-R161 HydrophobicContact CB-CG 4.28Å; H114-R161 PolarHBondContact CE1-NH1 3.49Å; H114-R161 PolarHBondContact NE2-NH1 3.21Å |
| 115 | S | 97.6 | Very high | 95 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -68.8 | -40.6 | -179.6 | -47.2 | 0 | 0 | 0 | 0 | 112 | S112 G113 A119 | S112-S115 WeakPolarHBondContact OG-CB 3.42Å; S112-S115 PolarHBondContact OG-N 3.19Å; S112-S115 PolarHBondContact OG-OG 3.24Å; G113-S115 VanDerWaalsContact C-N 3.33Å; G113-S115 PolarHBondContact O-N 2.99Å; S115-A119 WeakPolarHBondContact O-CB 3.25Å; S115-A119 PolarHBondContact O-N 2.86Å |
| 116 | M | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -67.2 | -48.6 | -179.2 | -173.7 | 175.1 | 172.4 | 0 | 0 | 112.7 | T64 L67 N68 L71 P111 S112 G113 A119 A120 G175 A178 G179 L182 | T64-M116 HydrophobicContact CG2-CE 4.16Å; T64-M116 HydrophobicContact CG2-CG 3.72Å; L67-M116 HydrophobicContact CD2-CE 4.47Å; N68-M116 HydrophobicContact CB-CE 4.43Å; N68-M116 HydrophobicContact CB-SD 3.73Å; N68-M116 PolarHBondContact ND2-SD 2.86Å; N68-M116 VanDerWaalsContact ND2-SD 3.41Å; L71-M116 HydrophobicContact CD1-CE 4.16Å; P111-M116 HydrophobicContact CG-SD 3.83Å; S112-M116 WeakPolarHBondContact O-CB 3.5Å; S112-M116 PolarHBondContact O-N 3.45Å; G113-M116 PolarHBondContact O-N 3.47Å; M116-A119 PolarHBondContact O-N 3.48Å; M116-A120 PolarHBondContact O-N 3.31Å; M116-G175 WeakPolarHBondContact CA-O 3.32Å; M116-G175 WeakPolarHBondContact CB-O 3.47Å; M116-G175 WeakPolarHBondContact CG-O 3.4Å; M116-A178 HydrophobicContact CE-CB 4.01Å; M116-A178 HydrophobicContact CG-CB 4.41Å; M116-A178 HydrophobicContact SD-CB 4.28Å; M116-G179 VanDerWaalsContact O-CA 3.27Å; M116-G179 WeakPolarHBondContact O-CA 3.43Å; M116-L182 HydrophobicContact CE-CD1 3.22Å |
| 117 | V | 97.3 | Very high | 95.8 | Very high | 4 Ų | 4 | 14 Ų | 14 | 2% | 0.024 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -68.2 | -44.5 | 178.5 | 178 | 0 | 0 | 0 | 0 | 110.6 | P35 T64 E65 G113 A119 A120 V121 | P35-V117 HydrophobicContact CB-CB 4.33Å; P35-V117 HydrophobicContact CB-CG1 4.06Å; P35-V117 HydrophobicContact CB-CG2 4.29Å; P35-V117 HydrophobicContact CG-CB 4.19Å; P35-V117 HydrophobicContact CG-CG1 4.45Å; P35-V117 HydrophobicContact CG-CG2 4.08Å; T64-V117 HydrophobicContact CG2-CB 4.47Å; T64-V117 HydrophobicContact CG2-CG2 3.95Å; E65-V117 HydrophobicContact CB-CG2 4.04Å; G113-V117 WeakPolarHBondContact O-CB 3.41Å; G113-V117 WeakPolarHBondContact O-CG2 3.19Å; G113-V117 PolarHBondContact O-N 3.43Å; V117-A119 VanDerWaalsContact C-N 3.3Å; V117-A119 PolarHBondContact O-N 3.34Å; V117-A120 PolarHBondContact O-N 2.96Å; V117-V121 HydrophobicContact CG1-CG2 3.9Å; V117-V121 WeakPolarHBondContact O-CB 3.45Å; V117-V121 VanDerWaalsContact O-CG2 3.3Å; V117-V121 WeakPolarHBondContact O-CG2 3.22Å; V117-V121 PolarHBondContact O-N 3.39Å |
| 118 | T | 97.8 | Very high | 96.2 | Very high | 10 Ų | 10 | 16.8 Ų | 16.8 | 6% | 0.061 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -57.4 | -45.2 | 176.2 | -60.9 | 0 | 0 | 0 | 0 | 111.1 | G33 H114 W122 L153 L154 V157 | G33-T118 PolarHBondContact O-OG1 2.88Å; H114-T118 WeakPolarHBondContact O-CB 3.33Å; H114-T118 PolarHBondContact O-N 2.71Å; H114-T118 PolarHBondContact O-OG1 2.88Å; T118-W122 WeakPolarHBondContact O-CB 3.18Å; T118-W122 VanDerWaalsContact O-CD1 3.31Å; T118-W122 PolarHBondContact O-N 3.49Å; T118-W122 VanDerWaalsContact O-N 3.12Å; T118-L153 HydrophobicContact CG2-CD2 4.11Å; T118-L153 HydrophobicContact CG2-CG 4.24Å; T118-L154 HydrophobicContact CG2-CD2 3.94Å; T118-V157 HydrophobicContact CG2-CG2 4.37Å |
| 119 | A | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.8 | -48.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S115 M116 V117 W123 Y150 L154 I176 I180 | S115-A119 WeakPolarHBondContact O-CB 3.25Å; S115-A119 PolarHBondContact O-N 2.86Å; M116-A119 PolarHBondContact O-N 3.48Å; V117-A119 VanDerWaalsContact C-N 3.3Å; V117-A119 PolarHBondContact O-N 3.34Å; A119-W123 VanDerWaalsContact O-CB 3.3Å; A119-W123 WeakPolarHBondContact O-CB 3.49Å; A119-W123 PolarHBondContact O-N 3.4Å; A119-W123 VanDerWaalsContact O-N 3.14Å; A119-Y150 WeakPolarHBondContact CA-OH 3.29Å; A119-Y150 PolarHBondContact O-OH 3.42Å; A119-L154 HydrophobicContact CB-CD1 4.35Å; A119-L154 HydrophobicContact CB-CD2 3.82Å; A119-I176 HydrophobicContact CB-CG2 4.46Å; A119-I180 HydrophobicContact CB-CG1 4.27Å |
| 120 | A | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66.2 | -47 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V60 T64 M116 V117 W123 V124 G179 L182 | V60-A120 HydrophobicContact CG1-CB 3.55Å; T64-A120 HydrophobicContact CG2-CB 3.77Å; T64-A120 WeakPolarHBondContact OG1-CB 3.44Å; M116-A120 PolarHBondContact O-N 3.31Å; V117-A120 PolarHBondContact O-N 2.96Å; A120-W123 PolarHBondContact O-N 3.3Å; A120-V124 PolarHBondContact O-N 3.5Å; A120-G179 WeakPolarHBondContact CA-O 3.49Å; A120-G179 VanDerWaalsContact CB-O 3.22Å; A120-G179 WeakPolarHBondContact CB-O 3.4Å; A120-L182 HydrophobicContact CB-CB 4.41Å |
| 121 | V | 97.4 | Very high | 96.7 | Very high | 4 Ų | 4 | 23.7 Ų | 23.7 | 2% | 0.024 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.7 | -50.1 | -176.5 | 170.3 | 0 | 0 | 0 | 0 | 111.4 | V42 V57 S61 V117 W123 V124 | V42-V121 HydrophobicContact CB-CG1 4.42Å; V42-V121 HydrophobicContact CG1-CG1 3.96Å; V57-V121 HydrophobicContact CG1-CG1 3.98Å; V57-V121 HydrophobicContact CG2-CG1 4.45Å; S61-V121 WeakPolarHBondContact OG-CG2 3.38Å; V117-V121 HydrophobicContact CG1-CG2 3.9Å; V117-V121 WeakPolarHBondContact O-CB 3.45Å; V117-V121 VanDerWaalsContact O-CG2 3.3Å; V117-V121 WeakPolarHBondContact O-CG2 3.22Å; V117-V121 PolarHBondContact O-N 3.39Å; V121-W123 VanDerWaalsContact C-N 3.28Å; V121-W123 PolarHBondContact O-N 2.93Å; V121-V124 WeakPolarHBondContact O-CB 3.2Å; V121-V124 PolarHBondContact O-N 3.12Å; V121-V124 VanDerWaalsContact O-N 3.12Å |
| 122 | W | 97.3 | Very high | 96.6 | Very high | 90 Ų | 90 | 29 Ų | 29 | 34% | 0.341 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -70.7 | -26.4 | -178.4 | -76.9 | 98.6 | 0 | 0 | 0 | 112.5 | V42 T118 V124 V125 V126 Y150 L153 | V42-W122 HydrophobicContact CG2-CZ2 4.22Å; T118-W122 WeakPolarHBondContact O-CB 3.18Å; T118-W122 VanDerWaalsContact O-CD1 3.31Å; T118-W122 PolarHBondContact O-N 3.49Å; T118-W122 VanDerWaalsContact O-N 3.12Å; W122-V124 PolarHBondContact O-N 3.27Å; W122-V125 HydrophobicContact CE3-CB 4.2Å; W122-V125 HydrophobicContact CE3-CG1 4.16Å; W122-V125 HydrophobicContact CZ3-CG1 4.14Å; W122-V125 PolarHBondContact O-N 3.08Å; W122-V126 WeakPolarHBondContact O-CB 3.27Å; W122-V126 WeakPolarHBondContact O-CG2 3.13Å; W122-V126 PolarHBondContact O-N 2.95Å; W122-Y150 HydrophobicContact CB-CD2 3.5Å; W122-Y150 VanDerWaalsContact CB-CD2 3.5Å; W122-Y150 HydrophobicContact CB-CE2 3.48Å; W122-Y150 VanDerWaalsContact CB-CE2 3.48Å; W122-Y150 HydrophobicContact CG-CD2 4.43Å; W122-L153 HydrophobicContact CD2-CD2 3.97Å; W122-L153 HydrophobicContact CG-CD2 3.93Å; W122-L153 HydrophobicContact CZ2-CD2 4.29Å |
| 123 | W | 97.6 | Very high | 96.5 | Very high | 69 Ų | 69 | 31.1 Ų | 31.1 | 26% | 0.261 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -59.5 | -31.7 | 170.8 | -173.9 | -86.5 | 0 | 0 | 0 | 112.6 | A119 A120 V121 V125 P127 Y150 I180 G183 I184 | A119-W123 VanDerWaalsContact O-CB 3.3Å; A119-W123 WeakPolarHBondContact O-CB 3.49Å; A119-W123 PolarHBondContact O-N 3.4Å; A119-W123 VanDerWaalsContact O-N 3.14Å; A120-W123 PolarHBondContact O-N 3.3Å; V121-W123 VanDerWaalsContact C-N 3.28Å; V121-W123 PolarHBondContact O-N 2.93Å; W123-V125 VanDerWaalsContact C-N 3.34Å; W123-P127 WeakPolarHBondContact O-CD 3.32Å; W123-P127 VanDerWaalsContact O-CG 3.28Å; W123-P127 WeakPolarHBondContact O-CG 3.45Å; W123-Y150 AromaticContact CE3-CE1 3.87Å; W123-Y150 HydrophobicContact CE3-CE1 3.87Å; W123-Y150 HydrophobicContact CZ3-CE1 4.35Å; W123-I180 HydrophobicContact CD2-CG2 4.37Å; W123-I180 HydrophobicContact CE3-CG1 4.48Å; W123-I180 HydrophobicContact CE3-CG2 3.98Å; W123-I180 HydrophobicContact CH2-CG2 4.47Å; W123-I180 HydrophobicContact CZ3-CG2 4.04Å; W123-G183 VanDerWaalsContact CD1-C 3.45Å; W123-I184 HydrophobicContact CD2-CG1 4.12Å; W123-I184 HydrophobicContact CG-CG1 4.39Å; W123-I184 HydrophobicContact CH2-CD1 4.44Å; W123-I184 HydrophobicContact CZ2-CD1 3.85Å; W123-I184 HydrophobicContact CZ2-CG1 3.6Å |
| 124 | V | 96.6 | Very high | 96.5 | Very high | 14 Ų | 14 | 35 Ų | 35 | 9% | 0.085 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -74.7 | -28.4 | 177 | 176.8 | 0 | 0 | 0 | 0 | 111.7 | L53 A56 V60 A120 V121 W122 P128 | L53-V124 HydrophobicContact CD1-CG1 3.99Å; L53-V124 VanDerWaalsContact CD1-O 3.29Å; L53-V124 WeakPolarHBondContact CD1-O 3.26Å; A56-V124 HydrophobicContact CB-CG1 3.45Å; A56-V124 VanDerWaalsContact CB-CG1 3.45Å; V60-V124 HydrophobicContact CB-CG2 4.15Å; V60-V124 HydrophobicContact CG1-CG2 4.19Å; V60-V124 HydrophobicContact CG2-CG2 3.61Å; A120-V124 PolarHBondContact O-N 3.5Å; V121-V124 WeakPolarHBondContact O-CB 3.2Å; V121-V124 PolarHBondContact O-N 3.12Å; V121-V124 VanDerWaalsContact O-N 3.12Å; W122-V124 PolarHBondContact O-N 3.27Å; V124-P128 VanDerWaalsContact O-CD 3.29Å; V124-P128 WeakPolarHBondContact O-CD 3.48Å; V124-P128 WeakPolarHBondContact O-CG 3.35Å |
| 125 | V | 96.8 | Very high | 96.5 | Very high | 19 Ų | 19 | 37.4 Ų | 37.4 | 12% | 0.115 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -86.1 | -40.2 | -177 | 178.1 | 0 | 0 | 0 | 0 | 112.7 | V42 V57 W122 W123 P128 L129 | V42-V125 HydrophobicContact CG1-CG2 4.16Å; V57-V125 HydrophobicContact CG2-CG2 3.85Å; W122-V125 HydrophobicContact CE3-CB 4.2Å; W122-V125 HydrophobicContact CE3-CG1 4.16Å; W122-V125 HydrophobicContact CZ3-CG1 4.14Å; W122-V125 PolarHBondContact O-N 3.08Å; W123-V125 VanDerWaalsContact C-N 3.34Å; V125-P128 WeakPolarHBondContact O-CD 3.46Å; V125-L129 WeakPolarHBondContact O-CB 3.36Å; V125-L129 PolarHBondContact O-N 3.34Å |
| 126 | V | 97 | Very high | 96.3 | Very high | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.024 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.2 | -48.3 | -169.7 | 167 | 0 | 0 | 0 | 0 | 113.5 | W122 L129 S130 P146 Y147 Y150 | W122-V126 WeakPolarHBondContact O-CB 3.27Å; W122-V126 WeakPolarHBondContact O-CG2 3.13Å; W122-V126 PolarHBondContact O-N 2.95Å; V126-L129 PolarHBondContact O-N 3.06Å; V126-S130 VanDerWaalsContact O-CB 3.26Å; V126-S130 WeakPolarHBondContact O-CB 3.38Å; V126-S130 PolarHBondContact O-N 3.47Å; V126-P146 HydrophobicContact CG1-CB 4Å; V126-Y147 HydrophobicContact CG1-CD1 3.5Å; V126-Y147 HydrophobicContact CG1-CD2 4.04Å; V126-Y147 HydrophobicContact CG1-CE1 3.6Å; V126-Y147 HydrophobicContact CG1-CE2 4.13Å; V126-Y147 HydrophobicContact CG1-CG 3.73Å; V126-Y150 HydrophobicContact CG2-CD2 4.25Å; V126-Y150 HydrophobicContact CG2-CG 3.97Å |
| 127 | P | 96.4 | Very high | 96.2 | Very high | 33 Ų | 33 | 48 Ų | 48 | 21% | 0.214 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.1 | -48.1 | -178.5 | -17.9 | 29 | 0 | 0 | 0 | 113.3 | W123 L129 S130 S131 | W123-P127 WeakPolarHBondContact O-CD 3.32Å; W123-P127 VanDerWaalsContact O-CG 3.28Å; W123-P127 WeakPolarHBondContact O-CG 3.45Å; P127-L129 VanDerWaalsContact C-N 3.31Å; P127-L129 PolarHBondContact O-N 2.94Å; P127-S130 PolarHBondContact O-N 2.73Å; P127-S131 PolarHBondContact O-N 3.32Å; P127-S131 PolarHBondContact O-OG 2.02Å |
| 128 | P | 95.3 | Very high | 95.9 | Very high | 65 Ų | 65 | 55.1 Ų | 55.1 | 42% | 0.422 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.9 | -39.4 | 175 | -25.4 | 35.7 | 0 | 0 | 0 | 113.2 | L53 V124 V125 S131 F132 | L53-P128 HydrophobicContact CD1-CG 4.22Å; V124-P128 VanDerWaalsContact O-CD 3.29Å; V124-P128 WeakPolarHBondContact O-CD 3.48Å; V124-P128 WeakPolarHBondContact O-CG 3.35Å; V125-P128 WeakPolarHBondContact O-CD 3.46Å; P128-S131 PolarHBondContact O-N 3.16Å; P128-F132 WeakPolarHBondContact O-CB 3.5Å; P128-F132 PolarHBondContact O-N 3.32Å |
| 129 | L | 95.1 | Very high | 95.7 | Very high | 76 Ų | 76 | 61.5 Ų | 61.5 | 40% | 0.398 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.1 | -45 | 176.7 | 179.3 | 60.3 | 0 | 0 | 0 | 111.7 | V125 V126 P127 F132 L133 P146 | V125-L129 WeakPolarHBondContact O-CB 3.36Å; V125-L129 PolarHBondContact O-N 3.34Å; V126-L129 PolarHBondContact O-N 3.06Å; P127-L129 VanDerWaalsContact C-N 3.31Å; P127-L129 PolarHBondContact O-N 2.94Å; L129-F132 PolarHBondContact O-N 2.97Å; L129-L133 HydrophobicContact CD1-CD1 4.45Å; L129-L133 HydrophobicContact CD1-CG 4.43Å; L129-L133 HydrophobicContact CG-CD1 4.34Å; L129-L133 WeakPolarHBondContact O-CG 3.44Å; L129-L133 PolarHBondContact O-N 3.05Å; L129-P146 HydrophobicContact CD2-CB 4.24Å; L129-P146 HydrophobicContact CD2-CG 4.18Å; L129-P146 HydrophobicContact CG-CB 4.45Å; L129-P146 HydrophobicContact CG-CG 4.06Å |
| 130 | S | 96.2 | Very high | 95.4 | Very high | 10 Ų | 10 | 70 Ų | 70 | 7% | 0.07 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61 | -44.5 | 176.3 | 171.7 | 0 | 0 | 0 | 0 | 112 | V126 P127 L133 H134 S143 Y147 | V126-S130 VanDerWaalsContact O-CB 3.26Å; V126-S130 WeakPolarHBondContact O-CB 3.38Å; V126-S130 PolarHBondContact O-N 3.47Å; P127-S130 PolarHBondContact O-N 2.73Å; S130-L133 PolarHBondContact O-N 3.43Å; S130-H134 WeakPolarHBondContact O-CB 3.48Å; S130-H134 PolarHBondContact O-N 3.42Å; S130-S143 WeakPolarHBondContact CB-O 3.32Å; S130-S143 PolarHBondContact O-OG 3.33Å; S130-S143 PolarHBondContact OG-O 3.35Å; S130-S143 PolarHBondContact OG-OG 2.85Å; S130-Y147 WeakPolarHBondContact OG-CE2 3.21Å |
| 131 | S | 95.1 | Very high | 95.2 | Very high | 79 Ų | 79 | 74.8 Ų | 74.8 | 55% | 0.552 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -63.9 | -41.9 | 175.2 | -63.9 | 0 | 0 | 0 | 0 | 112.1 | P127 P128 H134 S135 | P127-S131 PolarHBondContact O-N 3.32Å; P127-S131 PolarHBondContact O-OG 2.02Å; P128-S131 PolarHBondContact O-N 3.16Å; S131-H134 PolarHBondContact O-N 3.45Å; S131-S135 WeakPolarHBondContact O-CB 3.38Å; S131-S135 PolarHBondContact O-N 3.43Å; S131-S135 PolarHBondContact O-OG 3.29Å |
| 132 | F | 93.9 | Very high | 95 | Very high | 112 Ų | 112 | 77.1 Ų | 77.1 | 49% | 0.491 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.9 | -49.4 | 175.6 | 175.2 | -99 | 0 | 0 | 0 | 111.5 | P128 L129 H134 S135 R136 | P128-F132 WeakPolarHBondContact O-CB 3.5Å; P128-F132 PolarHBondContact O-N 3.32Å; L129-F132 PolarHBondContact O-N 2.97Å; F132-H134 VanDerWaalsContact C-N 3.31Å; F132-H134 PolarHBondContact O-N 3.31Å; F132-S135 PolarHBondContact O-N 3.34Å; F132-S135 PolarHBondContact O-OG 2.84Å; F132-R136 HydrophobicContact CE1-CG 4.24Å; F132-R136 HydrophobicContact CE2-CG 4.17Å; F132-R136 HydrophobicContact CZ-CG 4Å; F132-R136 WeakPolarHBondContact O-CG 3.09Å; F132-R136 PolarHBondContact O-N 3.34Å; F132-R136 VanDerWaalsContact O-N 3.13Å |
| 133 | L | 94.8 | Very high | 94.8 | Very high | 46 Ų | 46 | 73.6 Ų | 73.6 | 24% | 0.241 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.5 | -40.5 | 177.6 | -72.2 | 174.4 | 0 | 0 | 0 | 112.2 | L129 S130 R136 T137 I142 P146 | L129-L133 HydrophobicContact CD1-CD1 4.45Å; L129-L133 HydrophobicContact CD1-CG 4.43Å; L129-L133 HydrophobicContact CG-CD1 4.34Å; L129-L133 WeakPolarHBondContact O-CG 3.44Å; L129-L133 PolarHBondContact O-N 3.05Å; S130-L133 PolarHBondContact O-N 3.43Å; L133-R136 PolarHBondContact O-N 3.31Å; L133-T137 WeakPolarHBondContact O-CB 3.33Å; L133-T137 WeakPolarHBondContact O-CG2 3.4Å; L133-T137 PolarHBondContact O-N 3.31Å; L133-T137 PolarHBondContact O-OG1 3.39Å; L133-I142 HydrophobicContact CB-CG2 4.28Å; L133-I142 HydrophobicContact CD1-CG2 4.37Å; L133-I142 HydrophobicContact CD2-CG2 4.38Å; L133-P146 HydrophobicContact CD1-CG 3.6Å |
| 134 | H | 94.9 | Very high | 94.7 | Very high | 83 Ų | 83 | 72.2 Ų | 72.2 | 38% | 0.384 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.4 | -48.7 | 175.1 | -168.9 | 61.6 | 0 | 0 | 0 | 111.8 | S130 S131 F132 R136 T137 H138 | S130-H134 WeakPolarHBondContact O-CB 3.48Å; S130-H134 PolarHBondContact O-N 3.42Å; S131-H134 PolarHBondContact O-N 3.45Å; F132-H134 VanDerWaalsContact C-N 3.31Å; F132-H134 PolarHBondContact O-N 3.31Å; H134-R136 PolarHBondContact O-N 3.24Å; H134-T137 PolarHBondContact O-N 3.08Å; H134-H138 VanDerWaalsContact O-CA 3.29Å; H134-H138 WeakPolarHBondContact O-CA 3.45Å; H134-H138 PolarHBondContact O-N 2.96Å |
| 135 | S | 95.1 | Very high | 94.7 | Very high | 67 Ų | 67 | 73.2 Ų | 73.2 | 47% | 0.469 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.4 | -25.3 | 179.7 | 72.1 | 0 | 0 | 0 | 0 | 114 | S131 F132 | S131-S135 WeakPolarHBondContact O-CB 3.38Å; S131-S135 PolarHBondContact O-N 3.43Å; S131-S135 PolarHBondContact O-OG 3.29Å; F132-S135 PolarHBondContact O-N 3.34Å; F132-S135 PolarHBondContact O-OG 2.84Å |
| 136 | R | 94 | Very high | 94.7 | Very high | 183 Ų | 183 | 72.8 Ų | 72.8 | 69% | 0.691 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -91.4 | -34.3 | -179.6 | -73.3 | -63.8 | -168.2 | 177.5 | 1.2 | 113.7 | F132 L133 H134 | F132-R136 HydrophobicContact CE1-CG 4.24Å; F132-R136 HydrophobicContact CE2-CG 4.17Å; F132-R136 HydrophobicContact CZ-CG 4Å; F132-R136 WeakPolarHBondContact O-CG 3.09Å; F132-R136 PolarHBondContact O-N 3.34Å; F132-R136 VanDerWaalsContact O-N 3.13Å; L133-R136 PolarHBondContact O-N 3.31Å; H134-R136 PolarHBondContact O-N 3.24Å |
| 137 | T | 94.5 | Very high | 94.7 | Very high | 40 Ų | 40 | 77 Ų | 77 | 25% | 0.245 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -108.6 | -18.1 | -171 | 63.9 | 0 | 0 | 0 | 0 | 113.5 | L133 H134 R139 I142 | L133-T137 WeakPolarHBondContact O-CB 3.33Å; L133-T137 WeakPolarHBondContact O-CG2 3.4Å; L133-T137 PolarHBondContact O-N 3.31Å; L133-T137 PolarHBondContact O-OG1 3.39Å; H134-T137 PolarHBondContact O-N 3.08Å; T137-R139 PolarHBondContact O-N 2.96Å; T137-R139 PolarHBondContact OG1-N 3.25Å; T137-I142 HydrophobicContact CG2-CD1 3.95Å; T137-I142 HydrophobicContact CG2-CG2 4.27Å |
| 138 | H | 92 | Very high | 94.7 | Very high | 153 Ų | 153 | 81 Ų | 81 | 71% | 0.708 | 40% | 0.401 | S | S | * | . | trans | 51.6 | 19.9 | -170.1 | -61.2 | -75.5 | 0 | 0 | 0 | 114.2 | H134 | H134-H138 VanDerWaalsContact O-CA 3.29Å; H134-H138 WeakPolarHBondContact O-CA 3.45Å; H134-H138 PolarHBondContact O-N 2.96Å | ||
| 139 | R | 93.3 | Very high | 94.8 | Very high | 144 Ų | 144 | 83.1 Ų | 83.1 | 54% | 0.543 | 41% | 0.407 | S | S | . | . | trans | -110.6 | 127.3 | -178.3 | -76.2 | -176.4 | -82.2 | 178.1 | -2.5 | 110.2 | T137 E141 I142 S143 | T137-R139 PolarHBondContact O-N 2.96Å; T137-R139 PolarHBondContact OG1-N 3.25Å; R139-E141 VanDerWaalsContact C-N 3.33Å; R139-I142 HydrophobicContact CB-CB 4.45Å; R139-I142 HydrophobicContact CB-CD1 4.18Å; R139-I142 HydrophobicContact CB-CG1 4.18Å; R139-I142 VanDerWaalsContact CZ-CD1 3.49Å; R139-S143 PolarHBondContact O-N 2.93Å | ||
| 140 | W | 92.8 | Very high | 94.9 | Very high | 179 Ų | 179 | 80.1 Ų | 80.1 | 68% | 0.678 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -74.2 | -29.7 | -177.9 | 74.3 | -86.5 | 0 | 0 | 0 | 111.1 | I142 S143 A144 | W140-I142 PolarHBondContact O-N 2.82Å; W140-S143 CarbonylContact O-C 3.55Å; W140-S143 PolarHBondContact O-N 2.95Å; W140-A144 HydrophobicContact CE3-CB 4.46Å; W140-A144 WeakPolarHBondContact O-CB 3.47Å; W140-A144 PolarHBondContact O-N 3.06Å |
| 141 | E | 93.7 | Very high | 95 | Very high | 100 Ų | 100 | 81.7 Ų | 81.7 | 47% | 0.467 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.2 | -45.4 | 179.3 | -54.7 | 84.3 | 171.4 | 0 | 0 | 110.8 | R139 S143 A144 A145 | R139-E141 VanDerWaalsContact C-N 3.33Å; E141-S143 VanDerWaalsContact C-N 3.33Å; E141-A144 PolarHBondContact O-N 3.47Å; E141-A145 PolarHBondContact O-N 2.8Å |
| 142 | I | 92.7 | Very high | 95.2 | Very high | 53 Ų | 53 | 83.3 Ų | 83.3 | 27% | 0.272 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -69.2 | -36 | 177.5 | -57.5 | 179.6 | 0 | 0 | 0 | 110.3 | L133 T137 R139 W140 A144 A145 P146 | L133-I142 HydrophobicContact CB-CG2 4.28Å; L133-I142 HydrophobicContact CD1-CG2 4.37Å; L133-I142 HydrophobicContact CD2-CG2 4.38Å; T137-I142 HydrophobicContact CG2-CD1 3.95Å; T137-I142 HydrophobicContact CG2-CG2 4.27Å; R139-I142 HydrophobicContact CB-CB 4.45Å; R139-I142 HydrophobicContact CB-CD1 4.18Å; R139-I142 HydrophobicContact CB-CG1 4.18Å; R139-I142 VanDerWaalsContact CZ-CD1 3.49Å; W140-I142 PolarHBondContact O-N 2.82Å; I142-A144 VanDerWaalsContact C-N 3.31Å; I142-A144 PolarHBondContact O-N 3.44Å; I142-A145 WeakPolarHBondContact O-CB 3.28Å; I142-A145 PolarHBondContact O-N 3.2Å; I142-P146 WeakPolarHBondContact O-CD 3.39Å |
| 143 | S | 93.2 | Very high | 95.3 | Very high | 17 Ų | 17 | 80.3 Ų | 80.3 | 12% | 0.119 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -69.6 | -26.7 | 175.8 | -175.8 | 0 | 0 | 0 | 0 | 113.2 | S130 R139 W140 E141 P146 | S130-S143 WeakPolarHBondContact CB-O 3.32Å; S130-S143 PolarHBondContact O-OG 3.33Å; S130-S143 PolarHBondContact OG-O 3.35Å; S130-S143 PolarHBondContact OG-OG 2.85Å; R139-S143 PolarHBondContact O-N 2.93Å; W140-S143 CarbonylContact O-C 3.55Å; W140-S143 PolarHBondContact O-N 2.95Å; E141-S143 VanDerWaalsContact C-N 3.33Å; S143-P146 WeakPolarHBondContact O-CD 3.21Å |
| 144 | A | 95.3 | Very high | 95.4 | Very high | 39 Ų | 39 | 78.8 Ų | 78.8 | 32% | 0.322 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -78.5 | -24.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | W140 E141 I142 Y147 L148 | W140-A144 HydrophobicContact CE3-CB 4.46Å; W140-A144 WeakPolarHBondContact O-CB 3.47Å; W140-A144 PolarHBondContact O-N 3.06Å; E141-A144 PolarHBondContact O-N 3.47Å; I142-A144 VanDerWaalsContact C-N 3.31Å; I142-A144 PolarHBondContact O-N 3.44Å; A144-Y147 PolarHBondContact O-N 3.26Å; A144-L148 PolarHBondContact O-N 2.93Å; A144-L148 VanDerWaalsContact O-N 3.12Å |
| 145 | A | 96.3 | Very high | 95.6 | Very high | 36 Ų | 36 | 76.3 Ų | 76.3 | 30% | 0.298 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -55.1 | -42.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | E141 I142 Y147 L148 I149 | E141-A145 PolarHBondContact O-N 2.8Å; I142-A145 WeakPolarHBondContact O-CB 3.28Å; I142-A145 PolarHBondContact O-N 3.2Å; A145-Y147 VanDerWaalsContact C-N 3.31Å; A145-Y147 PolarHBondContact O-N 2.66Å; A145-L148 PolarHBondContact O-N 3.46Å; A145-I149 VanDerWaalsContact O-CG1 3.3Å; A145-I149 WeakPolarHBondContact O-CG1 3.47Å; A145-I149 PolarHBondContact O-N 2.97Å |
| 146 | P | 96.8 | Very high | 95.7 | Very high | 9 Ų | 9 | 74.2 Ų | 74.2 | 6% | 0.058 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -56.9 | -39.2 | 173.9 | -28.9 | 37.1 | 0 | 0 | 0 | 114.3 | V126 L129 L133 I142 S143 Y150 | V126-P146 HydrophobicContact CG1-CB 4Å; L129-P146 HydrophobicContact CD2-CB 4.24Å; L129-P146 HydrophobicContact CD2-CG 4.18Å; L129-P146 HydrophobicContact CG-CB 4.45Å; L129-P146 HydrophobicContact CG-CG 4.06Å; L133-P146 HydrophobicContact CD1-CG 3.6Å; I142-P146 WeakPolarHBondContact O-CD 3.39Å; S143-P146 WeakPolarHBondContact O-CD 3.21Å; P146-Y150 VanDerWaalsContact O-CB 3.24Å; P146-Y150 WeakPolarHBondContact O-CB 3.45Å; P146-Y150 PolarHBondContact O-N 3.03Å |
| 147 | Y | 97.6 | Very high | 95.9 | Very high | 92 Ų | 92 | 65.5 Ų | 65.5 | 36% | 0.361 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -70.2 | -38.6 | 177.5 | -74.3 | -79.3 | 0 | 0 | 0 | 111.8 | V126 S130 A144 A145 Y150 G151 | V126-Y147 HydrophobicContact CG1-CD1 3.5Å; V126-Y147 HydrophobicContact CG1-CD2 4.04Å; V126-Y147 HydrophobicContact CG1-CE1 3.6Å; V126-Y147 HydrophobicContact CG1-CE2 4.13Å; V126-Y147 HydrophobicContact CG1-CG 3.73Å; S130-Y147 WeakPolarHBondContact OG-CE2 3.21Å; A144-Y147 PolarHBondContact O-N 3.26Å; A145-Y147 VanDerWaalsContact C-N 3.31Å; A145-Y147 PolarHBondContact O-N 2.66Å; Y147-Y150 PolarHBondContact O-N 2.92Å; Y147-G151 PolarHBondContact O-N 3.38Å |
| 148 | L | 97.3 | Very high | 96 | Very high | 119 Ų | 119 | 63.8 Ų | 63.8 | 62% | 0.623 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.4 | -49 | 174.3 | -176.2 | 72.4 | 0 | 0 | 0 | 110.9 | A144 A145 Y150 G151 L152 | A144-L148 PolarHBondContact O-N 2.93Å; A144-L148 VanDerWaalsContact O-N 3.12Å; A145-L148 PolarHBondContact O-N 3.46Å; L148-Y150 VanDerWaalsContact C-N 3.28Å; L148-Y150 PolarHBondContact O-N 3.33Å; L148-G151 PolarHBondContact O-N 3.47Å; L148-L152 HydrophobicContact CG-CD1 4.38Å; L148-L152 WeakPolarHBondContact O-CG 3.44Å; L148-L152 PolarHBondContact O-N 3.18Å |
| 149 | I | 97 | Very high | 96.3 | Very high | 109 Ų | 109 | 59.1 Ų | 59.1 | 56% | 0.559 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -60.2 | -41.6 | 177.7 | -67.9 | 166.3 | 0 | 0 | 0 | 110.5 | A145 L152 L153 | A145-I149 VanDerWaalsContact O-CG1 3.3Å; A145-I149 WeakPolarHBondContact O-CG1 3.47Å; A145-I149 PolarHBondContact O-N 2.97Å; I149-L152 PolarHBondContact O-N 3.28Å; I149-L153 WeakPolarHBondContact O-CB 3.32Å; I149-L153 PolarHBondContact O-N 3.5Å |
| 150 | Y | 97.6 | Very high | 96.5 | Very high | 13 Ų | 13 | 52.3 Ų | 52.3 | 5% | 0.051 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 175 | 172.5 | -120 | 0 | 0 | 0 | 112.4 | A119 W122 W123 V126 P146 Y147 L148 L152 L153 L154 I180 | A119-Y150 WeakPolarHBondContact CA-OH 3.29Å; A119-Y150 PolarHBondContact O-OH 3.42Å; W122-Y150 HydrophobicContact CB-CD2 3.5Å; W122-Y150 VanDerWaalsContact CB-CD2 3.5Å; W122-Y150 HydrophobicContact CB-CE2 3.48Å; W122-Y150 VanDerWaalsContact CB-CE2 3.48Å; W122-Y150 HydrophobicContact CG-CD2 4.43Å; W123-Y150 AromaticContact CE3-CE1 3.87Å; W123-Y150 HydrophobicContact CE3-CE1 3.87Å; W123-Y150 HydrophobicContact CZ3-CE1 4.35Å; V126-Y150 HydrophobicContact CG2-CD2 4.25Å; V126-Y150 HydrophobicContact CG2-CG 3.97Å; P146-Y150 VanDerWaalsContact O-CB 3.24Å; P146-Y150 WeakPolarHBondContact O-CB 3.45Å; P146-Y150 PolarHBondContact O-N 3.03Å; Y147-Y150 PolarHBondContact O-N 2.92Å; L148-Y150 VanDerWaalsContact C-N 3.28Å; L148-Y150 PolarHBondContact O-N 3.33Å; Y150-L152 VanDerWaalsContact C-N 3.35Å; Y150-L152 PolarHBondContact O-N 3.42Å; Y150-L153 PolarHBondContact O-N 2.7Å; Y150-L154 HydrophobicContact CD1-CD1 4.35Å; Y150-L154 HydrophobicContact CD2-CD1 4.24Å; Y150-L154 HydrophobicContact CD2-CG 4.12Å; Y150-L154 HydrophobicContact CE1-CD1 3.77Å; Y150-L154 HydrophobicContact CE2-CD1 3.66Å; Y150-L154 HydrophobicContact CE2-CD2 4Å; Y150-L154 HydrophobicContact CE2-CG 3.8Å; Y150-L154 VanDerWaalsContact CZ-CD1 3.42Å; Y150-L154 WeakPolarHBondContact O-CG 3.48Å; Y150-L154 PolarHBondContact O-N 3.04Å; Y150-I180 WeakPolarHBondContact OH-CG1 3.44Å |
| 151 | G | 97.9 | Very high | 96.7 | Very high | 42 Ų | 42 | 43.8 Ų | 43.8 | 43% | 0.433 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.7 | -43.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y147 L148 L154 G155 | Y147-G151 PolarHBondContact O-N 3.38Å; L148-G151 PolarHBondContact O-N 3.47Å; G151-L154 PolarHBondContact O-N 3.1Å; G151-G155 PolarHBondContact O-N 3.39Å |
| 152 | L | 97.9 | Very high | 96.9 | Very high | 114 Ų | 114 | 39.4 Ų | 39.4 | 60% | 0.597 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -63.8 | -42.3 | 176.1 | -68.5 | 174.3 | 0 | 0 | 0 | 112.1 | L148 I149 Y150 G155 A156 | L148-L152 HydrophobicContact CG-CD1 4.38Å; L148-L152 WeakPolarHBondContact O-CG 3.44Å; L148-L152 PolarHBondContact O-N 3.18Å; I149-L152 PolarHBondContact O-N 3.28Å; Y150-L152 VanDerWaalsContact C-N 3.35Å; Y150-L152 PolarHBondContact O-N 3.42Å; L152-G155 PolarHBondContact O-N 3.34Å; L152-A156 VanDerWaalsContact O-CB 3.29Å; L152-A156 WeakPolarHBondContact O-CB 3.44Å; L152-A156 PolarHBondContact O-N 2.85Å |
| 153 | L | 96.7 | Very high | 97.1 | Very high | 49 Ų | 49 | 37 Ų | 37 | 26% | 0.257 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.9 | -46.1 | 176 | 177 | 65.5 | 0 | 0 | 0 | 111.3 | T118 W122 I149 Y150 A156 V157 | T118-L153 HydrophobicContact CG2-CD2 4.11Å; T118-L153 HydrophobicContact CG2-CG 4.24Å; W122-L153 HydrophobicContact CD2-CD2 3.97Å; W122-L153 HydrophobicContact CG-CD2 3.93Å; W122-L153 HydrophobicContact CZ2-CD2 4.29Å; I149-L153 WeakPolarHBondContact O-CB 3.32Å; I149-L153 PolarHBondContact O-N 3.5Å; Y150-L153 PolarHBondContact O-N 2.7Å; L153-A156 PolarHBondContact O-N 2.86Å; L153-V157 HydrophobicContact CD1-CG2 4.12Å; L153-V157 WeakPolarHBondContact O-CB 3.12Å; L153-V157 WeakPolarHBondContact O-CG2 3.22Å; L153-V157 PolarHBondContact O-N 3.33Å |
| 154 | L | 97.7 | Very high | 97.2 | Very high | 13 Ų | 13 | 36.1 Ų | 36.1 | 7% | 0.068 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.3 | -41 | 177.5 | -69 | -177 | 0 | 0 | 0 | 112.5 | T118 A119 Y150 G151 G158 I176 | T118-L154 HydrophobicContact CG2-CD2 3.94Å; A119-L154 HydrophobicContact CB-CD1 4.35Å; A119-L154 HydrophobicContact CB-CD2 3.82Å; Y150-L154 HydrophobicContact CD1-CD1 4.35Å; Y150-L154 HydrophobicContact CD2-CD1 4.24Å; Y150-L154 HydrophobicContact CD2-CG 4.12Å; Y150-L154 HydrophobicContact CE1-CD1 3.77Å; Y150-L154 HydrophobicContact CE2-CD1 3.66Å; Y150-L154 HydrophobicContact CE2-CD2 4Å; Y150-L154 HydrophobicContact CE2-CG 3.8Å; Y150-L154 VanDerWaalsContact CZ-CD1 3.42Å; Y150-L154 WeakPolarHBondContact O-CG 3.48Å; Y150-L154 PolarHBondContact O-N 3.04Å; G151-L154 PolarHBondContact O-N 3.1Å; L154-G158 PolarHBondContact O-N 3.02Å; L154-I176 HydrophobicContact CB-CD1 4.37Å; L154-I176 HydrophobicContact CD1-CG2 3.94Å |
| 155 | G | 97.7 | Very high | 97.2 | Very high | 32 Ų | 32 | 34.3 Ų | 34.3 | 33% | 0.33 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.9 | -48.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | G151 L152 G158 I159 | G151-G155 PolarHBondContact O-N 3.39Å; L152-G155 PolarHBondContact O-N 3.34Å; G155-G158 PolarHBondContact O-N 2.91Å; G155-I159 WeakPolarHBondContact O-CB 3.34Å; G155-I159 WeakPolarHBondContact O-CD1 3.45Å; G155-I159 WeakPolarHBondContact O-CG1 3.37Å; G155-I159 PolarHBondContact O-N 3.13Å |
| 156 | A | 97.5 | Very high | 97.1 | Very high | 22 Ų | 22 | 32.6 Ų | 32.6 | 18% | 0.182 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.5 | -47.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | V29 L152 L153 I159 S160 | V29-A156 VanDerWaalsContact CG1-C 3.46Å; V29-A156 HydrophobicContact CG1-CB 3.89Å; V29-A156 WeakPolarHBondContact CG1-O 3.3Å; L152-A156 VanDerWaalsContact O-CB 3.29Å; L152-A156 WeakPolarHBondContact O-CB 3.44Å; L152-A156 PolarHBondContact O-N 2.85Å; L153-A156 PolarHBondContact O-N 2.86Å; A156-I159 PolarHBondContact O-N 3Å; A156-S160 WeakPolarHBondContact O-CB 3.39Å; A156-S160 PolarHBondContact O-N 3.19Å |
| 157 | V | 97.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.3 | -46.5 | 174.7 | 172.9 | 0 | 0 | 0 | 0 | 109.8 | V29 H114 T118 L153 I159 S160 R161 | V29-V157 HydrophobicContact CG1-CG2 4.13Å; H114-V157 HydrophobicContact CB-CG1 4.27Å; T118-V157 HydrophobicContact CG2-CG2 4.37Å; L153-V157 HydrophobicContact CD1-CG2 4.12Å; L153-V157 WeakPolarHBondContact O-CB 3.12Å; L153-V157 WeakPolarHBondContact O-CG2 3.22Å; L153-V157 PolarHBondContact O-N 3.33Å; V157-I159 PolarHBondContact O-N 3.38Å; V157-S160 PolarHBondContact O-N 3.49Å; V157-S160 PolarHBondContact O-OG 2.96Å; V157-R161 VanDerWaalsContact O-CG 3.26Å; V157-R161 WeakPolarHBondContact O-CG 3.39Å; V157-R161 PolarHBondContact O-N 3.36Å |
| 158 | G | 97.7 | Very high | 97.1 | Very high | 3 Ų | 3 | 27.8 Ų | 27.8 | 3% | 0.031 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.8 | -46.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | L154 G155 R161 I162 | L154-G158 PolarHBondContact O-N 3.02Å; G155-G158 PolarHBondContact O-N 2.91Å; G158-R161 PolarHBondContact O-N 2.9Å; G158-I162 PolarHBondContact O-N 3.03Å |
| 159 | I | 97.7 | Very high | 97.1 | Very high | 56 Ų | 56 | 23.6 Ų | 23.6 | 29% | 0.287 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -65.6 | -42.2 | 178.2 | -69 | 164.6 | 0 | 0 | 0 | 110.8 | L15 W26 G155 A156 V157 R161 I162 F163 | L15-I159 HydrophobicContact CD1-CG2 4.07Å; L15-I159 HydrophobicContact CD2-CG2 4Å; W26-I159 HydrophobicContact CE3-CG2 4.27Å; W26-I159 HydrophobicContact CH2-CB 4.27Å; W26-I159 HydrophobicContact CH2-CG2 3.6Å; W26-I159 HydrophobicContact CZ2-CG2 4.05Å; W26-I159 HydrophobicContact CZ3-CB 4.06Å; W26-I159 HydrophobicContact CZ3-CG2 3.72Å; G155-I159 WeakPolarHBondContact O-CB 3.34Å; G155-I159 WeakPolarHBondContact O-CD1 3.45Å; G155-I159 WeakPolarHBondContact O-CG1 3.37Å; G155-I159 PolarHBondContact O-N 3.13Å; A156-I159 PolarHBondContact O-N 3Å; V157-I159 PolarHBondContact O-N 3.38Å; I159-R161 PolarHBondContact O-N 3.49Å; I159-I162 PolarHBondContact O-N 2.97Å; I159-I162 VanDerWaalsContact O-N 3.1Å; I159-F163 WeakPolarHBondContact O-CB 2.98Å; I159-F163 PolarHBondContact O-N 3.31Å |
| 160 | S | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.6 | -37.2 | 179 | 74.8 | 0 | 0 | 0 | 0 | 111.9 | W26 T30 A156 V157 I162 F163 I164 | W26-S160 WeakPolarHBondContact O-CB 3.49Å; T30-S160 WeakPolarHBondContact CB-OG 2.84Å; A156-S160 WeakPolarHBondContact O-CB 3.39Å; A156-S160 PolarHBondContact O-N 3.19Å; V157-S160 PolarHBondContact O-N 3.49Å; V157-S160 PolarHBondContact O-OG 2.96Å; S160-I162 PolarHBondContact O-N 3.14Å; S160-F163 WeakPolarHBondContact O-CB 3.47Å; S160-F163 PolarHBondContact O-N 2.66Å; S160-I164 WeakPolarHBondContact O-CG1 3.32Å; S160-I164 WeakPolarHBondContact O-CG2 3.45Å; S160-I164 PolarHBondContact O-N 2.75Å |
| 161 | R | 97.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 0% | 0.004 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.1 | -32.2 | 177 | -61.5 | -49.3 | -68.5 | -177.7 | -6.8 | 114 | T30 E105 H114 V157 G158 I159 A166 H167 V172 | T30-R161 VanDerWaalsContact OG1-CD 3.28Å; T30-R161 WeakPolarHBondContact OG1-CD 3.41Å; T30-R161 PolarHBondContact OG1-NH1 2.89Å; E105-R161 IonicContact OE1-CZ 2.69Å; E105-R161 VanDerWaalsContact OE1-CZ 3.32Å; E105-R161 IonicContact OE1-NH1 2.71Å; E105-R161 PolarHBondContact OE1-NH1 2.93Å; E105-R161 VanDerWaalsContact OE1-NH1 3.14Å; E105-R161 IonicContact OE1-NH2 2.8Å; E105-R161 PolarHBondContact OE1-NH2 3.31Å; E105-R161 IonicContact OE2-NH2 3.17Å; E105-R161 PolarHBondContact OE2-NH2 2.64Å; H114-R161 HydrophobicContact CB-CG 4.28Å; H114-R161 PolarHBondContact CE1-NH1 3.49Å; H114-R161 PolarHBondContact NE2-NH1 3.21Å; V157-R161 VanDerWaalsContact O-CG 3.26Å; V157-R161 WeakPolarHBondContact O-CG 3.39Å; V157-R161 PolarHBondContact O-N 3.36Å; G158-R161 PolarHBondContact O-N 2.9Å; I159-R161 PolarHBondContact O-N 3.49Å; R161-A166 PolarHBondContact O-N 3.24Å; R161-H167 HydrophobicContact CB-CB 4.36Å; R161-H167 PolarHBondContact NH2-NE2 2.8Å; R161-H167 PolarHBondContact O-N 3.45Å; R161-V172 HydrophobicContact CB-CG2 4.27Å |
| 162 | I | 97.4 | Very high | 97.1 | Very high | 8 Ų | 8 | 18.1 Ų | 18.1 | 4% | 0.041 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -75 | -45.3 | 173.8 | -59.6 | 161.8 | 0 | 0 | 0 | 109.3 | M11 A12 L15 G158 I159 S160 I164 L165 P169 V172 | M11-I162 HydrophobicContact CE-CD1 3.93Å; M11-I162 HydrophobicContact CG-CG2 4.4Å; M11-I162 HydrophobicContact SD-CD1 4.35Å; A12-I162 HydrophobicContact CB-CG2 4.01Å; L15-I162 HydrophobicContact CD1-CB 4.1Å; L15-I162 HydrophobicContact CD1-CG2 3.78Å; G158-I162 PolarHBondContact O-N 3.03Å; I159-I162 PolarHBondContact O-N 2.97Å; I159-I162 VanDerWaalsContact O-N 3.1Å; S160-I162 PolarHBondContact O-N 3.14Å; I162-I164 VanDerWaalsContact C-N 3.31Å; I162-I164 PolarHBondContact O-N 3.27Å; I162-L165 PolarHBondContact O-N 3.38Å; I162-P169 HydrophobicContact CD1-CB 4.02Å; I162-P169 HydrophobicContact CD1-CG 3.94Å; I162-P169 HydrophobicContact CG1-CG 4.31Å; I162-P169 HydrophobicContact CG2-CG 4.45Å; I162-V172 HydrophobicContact CD1-CG2 4.47Å; I162-V172 HydrophobicContact CG1-CG2 4.11Å |
| 163 | F | 96.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 0% | 0.004 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -55.2 | -44.2 | 178.3 | 179.1 | -85.7 | 0 | 0 | 0 | 111.8 | L15 Q16 E23 W26 F100 I159 S160 L165 | L15-F163 HydrophobicContact CB-CD2 4.3Å; Q16-F163 HydrophobicContact CB-CE2 4.32Å; Q16-F163 HydrophobicContact CG-CD2 3.95Å; Q16-F163 HydrophobicContact CG-CE2 3.92Å; Q16-F163 HydrophobicContact CG-CG 4.38Å; Q16-F163 HydrophobicContact CG-CZ 4.3Å; Q16-F163 PolarHBondContact NE2-O 3Å; E23-F163 HydrophobicContact CB-CZ 4.3Å; E23-F163 HydrophobicContact CG-CE1 4.3Å; E23-F163 HydrophobicContact CG-CZ 4.37Å; W26-F163 HydrophobicContact CB-CD1 3.79Å; W26-F163 HydrophobicContact CB-CE1 4.07Å; W26-F163 HydrophobicContact CB-CG 4.15Å; W26-F163 AromaticContact CD1-CD2 3.61Å; W26-F163 AromaticContact CD1-CE2 3.53Å; W26-F163 AromaticContact CD1-CG 3.91Å; W26-F163 AromaticContact CD1-CZ 3.78Å; W26-F163 HydrophobicContact CG-CD1 4.15Å; W26-F163 HydrophobicContact CG-CD2 4.19Å; W26-F163 HydrophobicContact CG-CE1 4.4Å; W26-F163 HydrophobicContact CG-CE2 4.41Å; W26-F163 HydrophobicContact CG-CG 4.05Å; W26-F163 AromaticContact NE1-CD2 3.96Å; F100-F163 HydrophobicContact CD2-CE1 4.46Å; F100-F163 HydrophobicContact CE1-CE1 4.15Å; F100-F163 AromaticContact CE2-CD1 3.92Å; F100-F163 HydrophobicContact CE2-CD1 3.92Å; F100-F163 AromaticContact CE2-CE1 3.58Å; F100-F163 HydrophobicContact CE2-CE1 3.58Å; F100-F163 HydrophobicContact CE2-CZ 4.4Å; F100-F163 HydrophobicContact CZ-CD1 4.2Å; F100-F163 AromaticContact CZ-CE1 3.39Å; F100-F163 HydrophobicContact CZ-CE1 3.39Å; F100-F163 AromaticContact CZ-CZ 3.9Å; F100-F163 HydrophobicContact CZ-CZ 3.9Å; I159-F163 WeakPolarHBondContact O-CB 2.98Å; I159-F163 PolarHBondContact O-N 3.31Å; S160-F163 WeakPolarHBondContact O-CB 3.47Å; S160-F163 PolarHBondContact O-N 2.66Å; F163-L165 PolarHBondContact O-N 2.89Å |
| 164 | I | 95.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 8.2 | 179.7 | 70.1 | 172.3 | 0 | 0 | 0 | 114.2 | L27 T30 F100 C102 T103 S160 I162 A166 | L27-I164 HydrophobicContact CD2-CG2 3.85Å; T30-I164 HydrophobicContact CG2-CD1 4.17Å; F100-I164 HydrophobicContact CD2-CB 4.05Å; F100-I164 HydrophobicContact CD2-CG2 3.98Å; C102-I164 HydrophobicContact CB-CD1 4.32Å; T103-I164 VanDerWaalsContact CB-O 3.32Å; T103-I164 WeakPolarHBondContact CB-O 3.45Å; T103-I164 WeakPolarHBondContact CG2-O 3.38Å; T103-I164 PolarHBondContact OG1-O 2.95Å; S160-I164 WeakPolarHBondContact O-CG1 3.32Å; S160-I164 WeakPolarHBondContact O-CG2 3.45Å; S160-I164 PolarHBondContact O-N 2.75Å; I162-I164 VanDerWaalsContact C-N 3.31Å; I162-I164 PolarHBondContact O-N 3.27Å; I164-A166 HydrophobicContact CD1-CB 3.73Å; I164-A166 HydrophobicContact CG1-CB 3.68Å; I164-A166 PolarHBondContact O-N 3.05Å |
| 165 | L | 95.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 21.1 | -178.5 | -53.4 | 167.9 | 0 | 0 | 0 | 114.9 | A12 P80 F81 I97 S98 Q99 T103 I162 F163 | A12-L165 HydrophobicContact CB-CD2 3.65Å; P80-L165 HydrophobicContact CB-CB 4.05Å; P80-L165 HydrophobicContact CB-CD2 4.19Å; P80-L165 WeakPolarHBondContact CB-O 3.25Å; P80-L165 VanDerWaalsContact CD-O 3.31Å; P80-L165 WeakPolarHBondContact CD-O 3.49Å; F81-L165 HydrophobicContact CB-CB 3.92Å; F81-L165 HydrophobicContact CB-CD1 4.43Å; F81-L165 PolarHBondContact N-O 2.9Å; I97-L165 HydrophobicContact CB-CD1 3.99Å; I97-L165 HydrophobicContact CB-CD2 4.12Å; I97-L165 HydrophobicContact CD1-CD1 3.91Å; I97-L165 HydrophobicContact CD1-CD2 3.98Å; I97-L165 HydrophobicContact CG1-CD1 4.21Å; I97-L165 HydrophobicContact CG2-CD2 4.13Å; S98-L165 VanDerWaalsContact O-CD1 3.25Å; S98-L165 WeakPolarHBondContact O-CD1 3.42Å; Q99-L165 HydrophobicContact CG-CD1 4.25Å; T103-L165 HydrophobicContact CG2-CB 4.12Å; I162-L165 PolarHBondContact O-N 3.38Å; F163-L165 PolarHBondContact O-N 2.89Å |
| 166 | A | 94.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -83 | -30.6 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | R79 R161 I164 | R79-A166 WeakPolarHBondContact CD-O 3.28Å; R79-A166 WeakPolarHBondContact CG-O 3.29Å; R79-A166 PolarHBondContact NH1-O 3.06Å; R161-A166 PolarHBondContact O-N 3.24Å; I164-A166 HydrophobicContact CD1-CB 3.73Å; I164-A166 HydrophobicContact CG1-CB 3.68Å; I164-A166 PolarHBondContact O-N 3.05Å |
| 167 | H | 96.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -143.5 | 148 | -178.7 | -68.7 | -69.5 | 0 | 0 | 0 | 113 | P80 G109 S112 R161 Q171 V172 | P80-H167 VanDerWaalsContact CG-C 3.46Å; G109-H167 PolarHBondContact O-CE1 3.29Å; G109-H167 PolarHBondContact O-ND1 2.98Å; S112-H167 PolarHBondContact OG-CD2 3.02Å; R161-H167 HydrophobicContact CB-CB 4.36Å; R161-H167 PolarHBondContact NH2-NE2 2.8Å; R161-H167 PolarHBondContact O-N 3.45Å; H167-Q171 HydrophobicContact CB-CB 4.37Å; H167-Q171 PolarHBondContact ND1-OE1 3.31Å; H167-V172 HydrophobicContact CB-CG2 3.93Å |
| 168 | F | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -76.4 | 155.5 | 167.5 | -68.4 | -73.2 | 0 | 0 | 0 | 111.4 | H5 I9 E78 P80 W83 H170 Q171 V172 | H5-F168 HydrophobicContact CB-CD1 4.35Å; H5-F168 HydrophobicContact CB-CE1 3.7Å; H5-F168 HydrophobicContact CB-CE2 4.34Å; H5-F168 HydrophobicContact CB-CZ 3.69Å; H5-F168 AromaticContact CD2-CD2 3.79Å; H5-F168 AromaticContact CD2-CE2 3.77Å; H5-F168 AromaticContact CD2-CZ 3.99Å; H5-F168 AromaticContact CG-CE2 3.82Å; H5-F168 AromaticContact CG-CZ 3.66Å; H5-F168 AromaticContact ND1-CE2 3.99Å; H5-F168 AromaticContact NE2-CD2 3.97Å; H5-F168 AromaticContact NE2-CE2 3.95Å; H5-F168 WeakPolarHBondContact O-CE1 2.81Å; I9-F168 HydrophobicContact CD1-CE1 3.67Å; I9-F168 HydrophobicContact CD1-CZ 4.26Å; I9-F168 HydrophobicContact CG1-CE1 4.09Å; E78-F168 HydrophobicContact CB-CE2 4.22Å; P80-F168 HydrophobicContact CB-CE1 4.12Å; P80-F168 HydrophobicContact CB-CZ 4.23Å; P80-F168 HydrophobicContact CG-CD1 3.85Å; P80-F168 HydrophobicContact CG-CD2 4.12Å; P80-F168 HydrophobicContact CG-CE1 3.9Å; P80-F168 HydrophobicContact CG-CE2 4.16Å; P80-F168 HydrophobicContact CG-CG 3.97Å; P80-F168 HydrophobicContact CG-CZ 4.06Å; W83-F168 HydrophobicContact CB-CE2 4.42Å; W83-F168 HydrophobicContact CB-CZ 4.01Å; W83-F168 AromaticContact CD2-CZ 3.96Å; W83-F168 HydrophobicContact CD2-CZ 3.96Å; W83-F168 HydrophobicContact CE3-CE1 4.28Å; W83-F168 AromaticContact CE3-CZ 3.87Å; W83-F168 HydrophobicContact CE3-CZ 3.87Å; W83-F168 HydrophobicContact CG-CZ 4.01Å; F168-H170 VanDerWaalsContact C-N 3.3Å; F168-H170 VanDerWaalsContact CB-CE1 3.45Å; F168-H170 WeakPolarHBondContact CB-CE1 3.38Å; F168-H170 WeakPolarHBondContact CB-ND1 3.38Å; F168-H170 AromaticContact CG-CE1 3.99Å; F168-H170 PolarHBondContact O-N 3.2Å; F168-Q171 HydrophobicContact CB-CG 4.09Å; F168-Q171 WeakPolarHBondContact O-CB 3.48Å; F168-Q171 PolarHBondContact O-N 2.99Å; F168-V172 PolarHBondContact O-N 3.43Å | ||
| 169 | P | 97.6 | Very high | 97.3 | Very high | 31 Ų | 31 | 20.6 Ų | 20.6 | 20% | 0.201 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -55.9 | -40.5 | -178.3 | -26.2 | 33.5 | 0 | 0 | 0 | 114 | M11 I162 Q171 V172 V173 | M11-P169 HydrophobicContact SD-CB 4.08Å; M11-P169 HydrophobicContact SD-CG 3.47Å; M11-P169 WeakPolarHBondContact SD-CG 3.3Å; I162-P169 HydrophobicContact CD1-CB 4.02Å; I162-P169 HydrophobicContact CD1-CG 3.94Å; I162-P169 HydrophobicContact CG1-CG 4.31Å; I162-P169 HydrophobicContact CG2-CG 4.45Å; P169-Q171 VanDerWaalsContact C-N 3.29Å; P169-Q171 PolarHBondContact O-N 2.91Å; P169-V172 WeakPolarHBondContact O-CB 3.46Å; P169-V172 PolarHBondContact O-N 2.68Å; P169-V173 WeakPolarHBondContact O-CG2 3.21Å; P169-V173 PolarHBondContact O-N 3.02Å |
| 170 | H | 96.3 | Very high | 97.4 | Very high | 40 Ų | 40 | 20.1 Ų | 20.1 | 19% | 0.185 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64 | -33.7 | 178.1 | 72.1 | -84.8 | 0 | 0 | 0 | 112.5 | M4 H5 F168 V172 V173 T174 | M4-H170 HydrophobicContact CE-CB 3.63Å; H5-H170 AromaticContact CD2-CE1 3.67Å; H5-H170 AromaticContact NE2-CE1 3.61Å; F168-H170 VanDerWaalsContact C-N 3.3Å; F168-H170 VanDerWaalsContact CB-CE1 3.45Å; F168-H170 WeakPolarHBondContact CB-CE1 3.38Å; F168-H170 WeakPolarHBondContact CB-ND1 3.38Å; F168-H170 AromaticContact CG-CE1 3.99Å; F168-H170 PolarHBondContact O-N 3.2Å; H170-V172 VanDerWaalsContact C-N 3.34Å; H170-V173 PolarHBondContact O-N 2.88Å; H170-T174 WeakPolarHBondContact O-CB 3.36Å; H170-T174 PolarHBondContact O-N 2.87Å; H170-T174 PolarHBondContact O-OG1 3.42Å |
| 171 | Q | 97.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70.7 | -33.9 | 178.2 | -55.6 | 177.7 | -29.2 | 0 | 0 | 111.6 | E78 G109 S110 S112 H167 F168 P169 G175 | E78-Q171 PolarHBondContact O-NE2 3.16Å; G109-Q171 PolarHBondContact O-OE1 3.07Å; S110-Q171 VanDerWaalsContact OG-CG 3.31Å; S110-Q171 WeakPolarHBondContact OG-CG 3.4Å; S110-Q171 PolarHBondContact OG-NE2 3.48Å; S112-Q171 PolarHBondContact N-O 2.96Å; H167-Q171 HydrophobicContact CB-CB 4.37Å; H167-Q171 PolarHBondContact ND1-OE1 3.31Å; F168-Q171 HydrophobicContact CB-CG 4.09Å; F168-Q171 WeakPolarHBondContact O-CB 3.48Å; F168-Q171 PolarHBondContact O-N 2.99Å; P169-Q171 VanDerWaalsContact C-N 3.29Å; P169-Q171 PolarHBondContact O-N 2.91Å; Q171-G175 PolarHBondContact O-N 2.94Å |
| 172 | V | 98.1 | Very high | 97.4 | Very high | 7 Ų | 7 | 28 Ų | 28 | 4% | 0.042 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.4 | -50.8 | 172.7 | 172.7 | 0 | 0 | 0 | 0 | 110.2 | R161 I162 H167 F168 P169 H170 T174 G175 I176 | R161-V172 HydrophobicContact CB-CG2 4.27Å; I162-V172 HydrophobicContact CD1-CG2 4.47Å; I162-V172 HydrophobicContact CG1-CG2 4.11Å; H167-V172 HydrophobicContact CB-CG2 3.93Å; F168-V172 PolarHBondContact O-N 3.43Å; P169-V172 WeakPolarHBondContact O-CB 3.46Å; P169-V172 PolarHBondContact O-N 2.68Å; H170-V172 VanDerWaalsContact C-N 3.34Å; V172-T174 PolarHBondContact O-N 3.44Å; V172-G175 PolarHBondContact O-N 3.41Å; V172-G175 VanDerWaalsContact O-N 3.16Å; V172-I176 HydrophobicContact CG1-CD1 3.92Å; V172-I176 WeakPolarHBondContact O-CG1 3.46Å; V172-I176 PolarHBondContact O-N 3.33Å |
| 173 | V | 98.1 | Very high | 97.4 | Very high | 88 Ų | 88 | 27.7 Ų | 27.7 | 53% | 0.533 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -58.1 | -51 | 178.6 | 173.9 | 0 | 0 | 0 | 0 | 110.7 | P169 H170 G175 I176 T177 | P169-V173 WeakPolarHBondContact O-CG2 3.21Å; P169-V173 PolarHBondContact O-N 3.02Å; H170-V173 PolarHBondContact O-N 2.88Å; V173-G175 VanDerWaalsContact C-N 3.27Å; V173-G175 PolarHBondContact O-N 3Å; V173-I176 PolarHBondContact O-N 2.88Å; V173-T177 PolarHBondContact O-N 2.82Å; V173-T177 PolarHBondContact O-OG1 2.99Å; V173-T177 VanDerWaalsContact O-OG1 3.07Å |
| 174 | T | 97.7 | Very high | 97.5 | Very high | 73 Ų | 73 | 30.4 Ų | 30.4 | 45% | 0.448 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -58.6 | -40.5 | 177 | -59 | 0 | 0 | 0 | 0 | 111.8 | P111 H170 V172 A178 | P111-T174 HydrophobicContact CB-CG2 4.18Å; H170-T174 WeakPolarHBondContact O-CB 3.36Å; H170-T174 PolarHBondContact O-N 2.87Å; H170-T174 PolarHBondContact O-OG1 3.42Å; V172-T174 PolarHBondContact O-N 3.44Å; T174-A178 VanDerWaalsContact O-CB 3.28Å; T174-A178 WeakPolarHBondContact O-CB 3.47Å; T174-A178 PolarHBondContact O-N 3.32Å |
| 175 | G | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.5 | -50.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | M116 Q171 V172 V173 T177 A178 G179 | M116-G175 WeakPolarHBondContact CA-O 3.32Å; M116-G175 WeakPolarHBondContact CB-O 3.47Å; M116-G175 WeakPolarHBondContact CG-O 3.4Å; Q171-G175 PolarHBondContact O-N 2.94Å; V172-G175 PolarHBondContact O-N 3.41Å; V172-G175 VanDerWaalsContact O-N 3.16Å; V173-G175 VanDerWaalsContact C-N 3.27Å; V173-G175 PolarHBondContact O-N 3Å; G175-T177 PolarHBondContact O-N 2.88Å; G175-A178 PolarHBondContact O-N 3.31Å; G175-G179 PolarHBondContact O-N 3.47Å |
| 176 | I | 98.6 | Very high | 97.6 | Very high | 34 Ų | 34 | 36.1 Ų | 36.1 | 17% | 0.174 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.1 | -49.2 | 178.2 | -67.7 | 170.9 | 0 | 0 | 0 | 110.6 | A119 L154 V172 V173 G179 I180 | A119-I176 HydrophobicContact CB-CG2 4.46Å; L154-I176 HydrophobicContact CB-CD1 4.37Å; L154-I176 HydrophobicContact CD1-CG2 3.94Å; V172-I176 HydrophobicContact CG1-CD1 3.92Å; V172-I176 WeakPolarHBondContact O-CG1 3.46Å; V172-I176 PolarHBondContact O-N 3.33Å; V173-I176 PolarHBondContact O-N 2.88Å; I176-G179 PolarHBondContact O-N 3.06Å; I176-I180 HydrophobicContact CG2-CD1 3.88Å; I176-I180 HydrophobicContact CG2-CG1 4.49Å; I176-I180 WeakPolarHBondContact O-CG1 3.26Å; I176-I180 PolarHBondContact O-N 3.35Å |
| 177 | T | 98.2 | Very high | 97.7 | Very high | 66 Ų | 66 | 37.1 Ų | 37.1 | 41% | 0.405 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.2 | -50 | -179.3 | -57 | 0 | 0 | 0 | 0 | 111.2 | V173 G175 G179 I180 F181 | V173-T177 PolarHBondContact O-N 2.82Å; V173-T177 PolarHBondContact O-OG1 2.99Å; V173-T177 VanDerWaalsContact O-OG1 3.07Å; G175-T177 PolarHBondContact O-N 2.88Å; T177-G179 VanDerWaalsContact C-N 3.31Å; T177-G179 PolarHBondContact O-N 2.89Å; T177-I180 PolarHBondContact O-N 3.18Å; T177-F181 HydrophobicContact CG2-CD2 3.95Å; T177-F181 HydrophobicContact CG2-CE2 3.64Å; T177-F181 WeakPolarHBondContact O-CD2 3.39Å; T177-F181 PolarHBondContact O-N 3.33Å |
| 178 | A | 98.3 | Very high | 97.5 | Very high | 26 Ų | 26 | 44 Ų | 44 | 22% | 0.215 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.8 | -41 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | M116 T174 G175 F181 L182 | M116-A178 HydrophobicContact CE-CB 4.01Å; M116-A178 HydrophobicContact CG-CB 4.41Å; M116-A178 HydrophobicContact SD-CB 4.28Å; T174-A178 VanDerWaalsContact O-CB 3.28Å; T174-A178 WeakPolarHBondContact O-CB 3.47Å; T174-A178 PolarHBondContact O-N 3.32Å; G175-A178 PolarHBondContact O-N 3.31Å; A178-F181 PolarHBondContact O-N 3.46Å; A178-L182 VanDerWaalsContact O-CG 3.31Å; A178-L182 WeakPolarHBondContact O-CG 3.3Å; A178-L182 PolarHBondContact O-N 3.2Å |
| 179 | G | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | M116 A120 G175 I176 T177 F181 L182 G183 | M116-G179 VanDerWaalsContact O-CA 3.27Å; M116-G179 WeakPolarHBondContact O-CA 3.43Å; A120-G179 WeakPolarHBondContact CA-O 3.49Å; A120-G179 VanDerWaalsContact CB-O 3.22Å; A120-G179 WeakPolarHBondContact CB-O 3.4Å; G175-G179 PolarHBondContact O-N 3.47Å; I176-G179 PolarHBondContact O-N 3.06Å; T177-G179 VanDerWaalsContact C-N 3.31Å; T177-G179 PolarHBondContact O-N 2.89Å; G179-F181 PolarHBondContact O-N 2.96Å; G179-L182 PolarHBondContact O-N 2.89Å; G179-G183 PolarHBondContact O-N 3.37Å |
| 180 | I | 98.4 | Very high | 97.3 | Very high | 46 Ų | 46 | 50.2 Ų | 50.2 | 24% | 0.236 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.3 | -48 | 175.5 | -69.3 | 167.6 | 0 | 0 | 0 | 110.5 | A119 W123 Y150 I176 T177 L182 G183 I184 | A119-I180 HydrophobicContact CB-CG1 4.27Å; W123-I180 HydrophobicContact CD2-CG2 4.37Å; W123-I180 HydrophobicContact CE3-CG1 4.48Å; W123-I180 HydrophobicContact CE3-CG2 3.98Å; W123-I180 HydrophobicContact CH2-CG2 4.47Å; W123-I180 HydrophobicContact CZ3-CG2 4.04Å; Y150-I180 WeakPolarHBondContact OH-CG1 3.44Å; I176-I180 HydrophobicContact CG2-CD1 3.88Å; I176-I180 HydrophobicContact CG2-CG1 4.49Å; I176-I180 WeakPolarHBondContact O-CG1 3.26Å; I176-I180 PolarHBondContact O-N 3.35Å; T177-I180 PolarHBondContact O-N 3.18Å; I180-L182 VanDerWaalsContact C-N 3.32Å; I180-L182 PolarHBondContact O-N 3.44Å; I180-G183 PolarHBondContact O-N 3.03Å; I180-I184 HydrophobicContact CG2-CD1 3.82Å; I180-I184 HydrophobicContact CG2-CG1 4.49Å; I180-I184 VanDerWaalsContact O-CG1 3.29Å; I180-I184 WeakPolarHBondContact O-CG1 3.27Å; I180-I184 PolarHBondContact O-N 3.42Å |
| 181 | F | 98.3 | Very high | 97.2 | Very high | 140 Ų | 140 | 48.5 Ų | 48.5 | 61% | 0.614 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -59.1 | -42.7 | 178.1 | -79.9 | -65 | 0 | 0 | 0 | 112.5 | T177 A178 G179 I184 F185 | T177-F181 HydrophobicContact CG2-CD2 3.95Å; T177-F181 HydrophobicContact CG2-CE2 3.64Å; T177-F181 WeakPolarHBondContact O-CD2 3.39Å; T177-F181 PolarHBondContact O-N 3.33Å; A178-F181 PolarHBondContact O-N 3.46Å; G179-F181 PolarHBondContact O-N 2.96Å; F181-I184 PolarHBondContact O-N 3.15Å; F181-F185 VanDerWaalsContact O-CB 3.32Å; F181-F185 WeakPolarHBondContact O-CB 3.46Å; F181-F185 PolarHBondContact O-N 2.91Å |
| 182 | L | 98.1 | Very high | 97 | Very high | 27 Ų | 27 | 53.1 Ų | 53.1 | 14% | 0.141 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.4 | -42.6 | 176.6 | -70.6 | 169.8 | 0 | 0 | 0 | 112.3 | T64 L67 M116 A120 A178 G179 I180 I184 F185 L186 | T64-L182 HydrophobicContact CG2-CD1 3.8Å; L67-L182 HydrophobicContact CD2-CD1 3.98Å; L67-L182 HydrophobicContact CD2-CD2 3.8Å; L67-L182 HydrophobicContact CD2-CG 4.44Å; M116-L182 HydrophobicContact CE-CD1 3.22Å; A120-L182 HydrophobicContact CB-CB 4.41Å; A178-L182 VanDerWaalsContact O-CG 3.31Å; A178-L182 WeakPolarHBondContact O-CG 3.3Å; A178-L182 PolarHBondContact O-N 3.2Å; G179-L182 PolarHBondContact O-N 2.89Å; I180-L182 VanDerWaalsContact C-N 3.32Å; I180-L182 PolarHBondContact O-N 3.44Å; L182-I184 VanDerWaalsContact C-N 3.29Å; L182-I184 PolarHBondContact O-N 2.95Å; L182-F185 PolarHBondContact O-N 3.39Å; L182-L186 HydrophobicContact CB-CD1 4.25Å; L182-L186 HydrophobicContact CD2-CD1 4.36Å; L182-L186 WeakPolarHBondContact O-CB 3.46Å; L182-L186 VanDerWaalsContact O-CG 3.32Å; L182-L186 WeakPolarHBondContact O-CG 3.28Å; L182-L186 PolarHBondContact O-N 3.27Å |
| 183 | G | 97.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57 | -43.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | W123 G179 I180 G187 | W123-G183 VanDerWaalsContact CD1-C 3.45Å; G179-G183 PolarHBondContact O-N 3.37Å; I180-G183 PolarHBondContact O-N 3.03Å; G183-G187 WeakPolarHBondContact O-CA 3.45Å; G183-G187 PolarHBondContact O-N 2.98Å |
| 184 | I | 97.4 | Very high | 96.5 | Very high | 57 Ų | 57 | 58 Ų | 58 | 29% | 0.292 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.9 | -54.4 | 173.7 | -64.6 | 163.6 | 0 | 0 | 0 | 110.4 | W123 I180 F181 L182 H188 | W123-I184 HydrophobicContact CD2-CG1 4.12Å; W123-I184 HydrophobicContact CG-CG1 4.39Å; W123-I184 HydrophobicContact CH2-CD1 4.44Å; W123-I184 HydrophobicContact CZ2-CD1 3.85Å; W123-I184 HydrophobicContact CZ2-CG1 3.6Å; I180-I184 HydrophobicContact CG2-CD1 3.82Å; I180-I184 HydrophobicContact CG2-CG1 4.49Å; I180-I184 VanDerWaalsContact O-CG1 3.29Å; I180-I184 WeakPolarHBondContact O-CG1 3.27Å; I180-I184 PolarHBondContact O-N 3.42Å; F181-I184 PolarHBondContact O-N 3.15Å; L182-I184 VanDerWaalsContact C-N 3.29Å; L182-I184 PolarHBondContact O-N 2.95Å; I184-H188 PolarHBondContact O-N 3.12Å; I184-H188 PolarHBondContact O-ND1 2.72Å |
| 185 | F | 97.8 | Very high | 96.4 | Very high | 109 Ų | 109 | 58.1 Ų | 58.1 | 48% | 0.478 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.7 | -44.4 | -171 | 178.3 | -92.5 | 0 | 0 | 0 | 113.1 | F181 L182 R189 | F181-F185 VanDerWaalsContact O-CB 3.32Å; F181-F185 WeakPolarHBondContact O-CB 3.46Å; F181-F185 PolarHBondContact O-N 2.91Å; L182-F185 PolarHBondContact O-N 3.39Å; F185-R189 VanDerWaalsContact CE2-CZ 3.44Å; F185-R189 VanDerWaalsContact CZ-CZ 3.49Å; F185-R189 PolarHBondContact O-NH1 3.42Å |
| 186 | L | 97 | Very high | 96.4 | Very high | 13 Ų | 13 | 60.3 Ų | 60.3 | 7% | 0.068 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -80.2 | -33.2 | -178.6 | -60.5 | 175.2 | 0 | 0 | 0 | 111.7 | V60 L63 L182 H188 R189 | V60-L186 HydrophobicContact CG2-CB 3.58Å; V60-L186 HydrophobicContact CG2-CD1 4.5Å; L63-L186 HydrophobicContact CB-CD1 3.74Å; L63-L186 HydrophobicContact CD1-CD1 4.13Å; L63-L186 HydrophobicContact CD1-CD2 3.64Å; L63-L186 HydrophobicContact CD1-CG 4.5Å; L182-L186 HydrophobicContact CB-CD1 4.25Å; L182-L186 HydrophobicContact CD2-CD1 4.36Å; L182-L186 WeakPolarHBondContact O-CB 3.46Å; L182-L186 VanDerWaalsContact O-CG 3.32Å; L182-L186 WeakPolarHBondContact O-CG 3.28Å; L182-L186 PolarHBondContact O-N 3.27Å; L186-H188 PolarHBondContact O-N 3.48Å; L186-R189 CarbonylContact O-C 3.35Å; L186-R189 PolarHBondContact O-N 3.14Å |
| 187 | G | 94.6 | Very high | 96.3 | Very high | 21 Ų | 21 | 64.6 Ų | 64.6 | 22% | 0.216 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.8 | -28.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | G183 R189 V190 | G183-G187 WeakPolarHBondContact O-CA 3.45Å; G183-G187 PolarHBondContact O-N 2.98Å; G187-R189 VanDerWaalsContact C-N 3.34Å; G187-V190 VanDerWaalsContact O-CG2 3.28Å; G187-V190 WeakPolarHBondContact O-CG2 3.4Å |
| 188 | H | 93.6 | Very high | 96.2 | Very high | 143 Ų | 143 | 63.6 Ų | 63.6 | 66% | 0.662 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -16.1 | 171.2 | -67.6 | 128.7 | 0 | 0 | 0 | 114 | I184 L186 | I184-H188 PolarHBondContact O-N 3.12Å; I184-H188 PolarHBondContact O-ND1 2.72Å; L186-H188 PolarHBondContact O-N 3.48Å |
| 189 | R | 95.1 | Very high | 96.2 | Very high | 139 Ų | 139 | 62.4 Ų | 62.4 | 53% | 0.525 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | 47.1 | -175.1 | -66.2 | -171.2 | -179.1 | 77 | -5.9 | 112.6 | W59 F185 L186 G187 P191 | W59-R189 PolarHBondContact NE1-O 3.39Å; F185-R189 VanDerWaalsContact CE2-CZ 3.44Å; F185-R189 VanDerWaalsContact CZ-CZ 3.49Å; F185-R189 PolarHBondContact O-NH1 3.42Å; L186-R189 CarbonylContact O-C 3.35Å; L186-R189 PolarHBondContact O-N 3.14Å; G187-R189 VanDerWaalsContact C-N 3.34Å; R189-P191 WeakPolarHBondContact O-CD 3.26Å |
| 190 | V | 95.9 | Very high | 96.2 | Very high | 24 Ų | 24 | 65.2 Ų | 65.2 | 15% | 0.145 | 33% | 0.333 | C | S | . | . | trans | -65.1 | 125.1 | 177.8 | -172.9 | 0 | 0 | 0 | 0 | 110 | R52 I55 A56 G187 E192 | R52-V190 HydrophobicContact CG-CG1 4.24Å; I55-V190 HydrophobicContact CB-CG1 4.09Å; I55-V190 HydrophobicContact CG2-CG1 3.67Å; A56-V190 HydrophobicContact CB-CB 4.39Å; A56-V190 HydrophobicContact CB-CG1 3.93Å; A56-V190 HydrophobicContact CB-CG2 3.52Å; G187-V190 VanDerWaalsContact O-CG2 3.28Å; G187-V190 WeakPolarHBondContact O-CG2 3.4Å; V190-E192 HydrophobicContact CG1-CB 4.48Å; V190-E192 PolarHBondContact O-N 3.28Å | ||
| 191 | P | 95 | Very high | 96.1 | Very high | 4 Ų | 4 | 66.2 Ų | 66.2 | 3% | 0.026 | 34% | 0.344 | C | S | . | . | trans | -83.4 | 54.5 | -178.2 | 36.1 | -38.2 | 0 | 0 | 0 | 111.6 | I55 W59 R189 R194 F198 F199 Q265 | I55-P191 HydrophobicContact CG2-CG 4.42Å; W59-P191 HydrophobicContact CB-CG 4.3Å; W59-P191 HydrophobicContact CD2-CG 3.65Å; W59-P191 HydrophobicContact CE3-CG 3.72Å; W59-P191 HydrophobicContact CG-CG 3.94Å; W59-P191 HydrophobicContact CZ3-CG 4.22Å; R189-P191 WeakPolarHBondContact O-CD 3.26Å; P191-R194 HydrophobicContact CB-CB 4.28Å; P191-R194 HydrophobicContact CB-CG 3.81Å; P191-F198 HydrophobicContact CB-CD1 4.27Å; P191-F198 HydrophobicContact CB-CE1 3.53Å; P191-F198 HydrophobicContact CB-CZ 4.1Å; P191-F198 HydrophobicContact CG-CE1 4.33Å; P191-F199 HydrophobicContact CB-CE1 4.07Å; P191-F199 HydrophobicContact CB-CZ 3.88Å; P191-F199 HydrophobicContact CG-CE1 3.68Å; P191-F199 HydrophobicContact CG-CZ 3.85Å; P191-F199 WeakPolarHBondContact O-CZ 3.07Å; P191-Q265 PolarHBondContact O-NE2 2.94Å; P191-Q265 PolarHBondContact O-OE1 3.37Å | ||
| 192 | E | 93.4 | Very high | 96 | Very high | 97 Ų | 97 | 63.5 Ų | 63.5 | 45% | 0.453 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 130.1 | 176.6 | -175.6 | 172.2 | -154 | 0 | 0 | 110.6 | R52 I55 V190 R194 | R52-E192 VanDerWaalsContact CD-OE2 3.31Å; R52-E192 WeakPolarHBondContact CD-OE2 3.37Å; R52-E192 WeakPolarHBondContact CG-OE2 3.13Å; I55-E192 HydrophobicContact CD1-CB 4.32Å; I55-E192 HydrophobicContact CD1-CG 4.02Å; V190-E192 HydrophobicContact CG1-CB 4.48Å; V190-E192 PolarHBondContact O-N 3.28Å; E192-R194 PolarHBondContact O-N 2.83Å |
| 193 | G | 91.4 | Very high | 95.9 | Very high | 67 Ų | 67 | 62.6 Ų | 62.6 | 69% | 0.691 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 12.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 194 | R | 94.7 | Very high | 95.9 | Very high | 132 Ų | 132 | 64.1 Ų | 64.1 | 50% | 0.498 | 34% | 0.341 | S | S | . | . | trans | -74.1 | 145.2 | 176 | -70.9 | -67.5 | -171.8 | 151.7 | 0.9 | 110.4 | P191 E192 F198 F199 | P191-R194 HydrophobicContact CB-CB 4.28Å; P191-R194 HydrophobicContact CB-CG 3.81Å; E192-R194 PolarHBondContact O-N 2.83Å; R194-F198 HydrophobicContact CB-CB 4.11Å; R194-F198 HydrophobicContact CB-CD1 3.8Å; R194-F198 HydrophobicContact CB-CE1 4.41Å; R194-F198 HydrophobicContact CB-CG 3.94Å; R194-F198 HydrophobicContact CG-CD1 4.15Å; R194-F198 HydrophobicContact CG-CE1 4.32Å; R194-F198 HydrophobicContact CG-CG 4.27Å; R194-F199 HydrophobicContact CB-CE2 3.91Å; R194-F199 HydrophobicContact CB-CZ 4.27Å | ||
| 195 | P | 95.5 | Very high | 95.9 | Very high | 75 Ų | 75 | 63.2 Ų | 63.2 | 49% | 0.487 | 35% | 0.345 | S | S | . | . | trans | -68.4 | 153.7 | -178.3 | 29.1 | -35.6 | 0 | 0 | 0 | 111.5 | L197 F198 | P195-L197 PolarHBondContact O-N 2.86Å; P195-F198 HydrophobicContact CG-CB 4.27Å; P195-F198 WeakPolarHBondContact O-CB 3.3Å; P195-F198 PolarHBondContact O-N 2.86Å | ||
| 196 | L | 96.3 | Very high | 95.9 | Very high | 45 Ų | 45 | 58.4 Ų | 58.4 | 24% | 0.236 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -46 | -40.6 | 174.6 | 172.6 | 65.3 | 0 | 0 | 0 | 113.8 | F198 F199 V200 L263 N266 | L196-F198 PolarHBondContact O-N 2.96Å; L196-F199 PolarHBondContact O-N 3.12Å; L196-V200 HydrophobicContact CD1-CG2 3.8Å; L196-V200 HydrophobicContact CG-CG2 3.99Å; L196-V200 WeakPolarHBondContact O-CG2 3.27Å; L196-V200 PolarHBondContact O-N 3.43Å; L196-L263 HydrophobicContact CD1-CD2 3.93Å; L196-L263 HydrophobicContact CD1-CG 3.89Å; L196-L263 HydrophobicContact CD2-CD2 3.78Å; L196-N266 WeakPolarHBondContact CB-ND2 3.39Å; L196-N266 PolarHBondContact N-ND2 3.14Å; L196-N266 PolarHBondContact N-OD1 3.44Å; L196-N266 VanDerWaalsContact N-OD1 3.16Å |
| 197 | L | 97 | Very high | 95.8 | Very high | 125 Ų | 125 | 61.2 Ų | 61.2 | 65% | 0.654 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -57.3 | -36.3 | 179.5 | -176.2 | 61.9 | 0 | 0 | 0 | 112.1 | P195 F199 V200 S201 | P195-L197 PolarHBondContact O-N 2.86Å; L197-F199 PolarHBondContact O-N 2.89Å; L197-V200 PolarHBondContact O-N 3.3Å; L197-S201 VanDerWaalsContact O-CB 3.28Å; L197-S201 WeakPolarHBondContact O-CB 3.47Å; L197-S201 PolarHBondContact O-N 2.84Å; L197-S201 PolarHBondContact O-OG 3.32Å |
| 198 | F | 97.1 | Very high | 95.8 | Very high | 45 Ų | 45 | 66.2 Ų | 66.2 | 20% | 0.197 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58 | -48.3 | 175.4 | 173.5 | -90.9 | 0 | 0 | 0 | 111.3 | W59 P191 R194 P195 L196 S201 F202 | W59-F198 AromaticContact CH2-CE1 3.98Å; W59-F198 HydrophobicContact CH2-CE1 3.98Å; W59-F198 HydrophobicContact CH2-CZ 4.07Å; W59-F198 HydrophobicContact CZ3-CE1 4.18Å; P191-F198 HydrophobicContact CB-CD1 4.27Å; P191-F198 HydrophobicContact CB-CE1 3.53Å; P191-F198 HydrophobicContact CB-CZ 4.1Å; P191-F198 HydrophobicContact CG-CE1 4.33Å; R194-F198 HydrophobicContact CB-CB 4.11Å; R194-F198 HydrophobicContact CB-CD1 3.8Å; R194-F198 HydrophobicContact CB-CE1 4.41Å; R194-F198 HydrophobicContact CB-CG 3.94Å; R194-F198 HydrophobicContact CG-CD1 4.15Å; R194-F198 HydrophobicContact CG-CE1 4.32Å; R194-F198 HydrophobicContact CG-CG 4.27Å; P195-F198 HydrophobicContact CG-CB 4.27Å; P195-F198 WeakPolarHBondContact O-CB 3.3Å; P195-F198 PolarHBondContact O-N 2.86Å; L196-F198 PolarHBondContact O-N 2.96Å; F198-S201 PolarHBondContact O-N 2.96Å; F198-F202 HydrophobicContact CD1-CD2 4.25Å; F198-F202 HydrophobicContact CD2-CD2 4.15Å; F198-F202 HydrophobicContact CD2-CE2 4.08Å; F198-F202 AromaticContact CE1-CD2 3.86Å; F198-F202 HydrophobicContact CE1-CD2 3.86Å; F198-F202 HydrophobicContact CE1-CE2 4.06Å; F198-F202 AromaticContact CE2-CD2 3.79Å; F198-F202 HydrophobicContact CE2-CD2 3.79Å; F198-F202 AromaticContact CE2-CE2 3.35Å; F198-F202 HydrophobicContact CE2-CE2 3.35Å; F198-F202 HydrophobicContact CE2-CZ 4.39Å; F198-F202 HydrophobicContact CG-CD2 4.37Å; F198-F202 AromaticContact CZ-CD2 3.62Å; F198-F202 HydrophobicContact CZ-CD2 3.62Å; F198-F202 AromaticContact CZ-CE2 3.33Å; F198-F202 HydrophobicContact CZ-CE2 3.33Å; F198-F202 HydrophobicContact CZ-CZ 4.16Å; F198-F202 WeakPolarHBondContact O-CD2 3.49Å; F198-F202 PolarHBondContact O-N 2.63Å |
| 199 | F | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -69.6 | -42.2 | -179 | -66.9 | -78.8 | 0 | 0 | 0 | 112.3 | P191 R194 L196 L197 S201 F202 S203 L258 L261 | P191-F199 HydrophobicContact CB-CE1 4.07Å; P191-F199 HydrophobicContact CB-CZ 3.88Å; P191-F199 HydrophobicContact CG-CE1 3.68Å; P191-F199 HydrophobicContact CG-CZ 3.85Å; P191-F199 WeakPolarHBondContact O-CZ 3.07Å; R194-F199 HydrophobicContact CB-CE2 3.91Å; R194-F199 HydrophobicContact CB-CZ 4.27Å; L196-F199 PolarHBondContact O-N 3.12Å; L197-F199 PolarHBondContact O-N 2.89Å; F199-S201 VanDerWaalsContact C-N 3.34Å; F199-S201 PolarHBondContact O-N 2.93Å; F199-F202 PolarHBondContact O-N 3.16Å; F199-S203 PolarHBondContact O-N 3.41Å; F199-S203 PolarHBondContact O-OG 3.36Å; F199-L258 VanDerWaalsContact CB-O 3.3Å; F199-L258 WeakPolarHBondContact CB-O 3.19Å; F199-L258 HydrophobicContact CD1-CD2 4.38Å; F199-L261 HydrophobicContact CD1-CD2 4.29Å; F199-L261 HydrophobicContact CD1-CG 4.48Å; F199-L261 HydrophobicContact CE1-CD2 3.61Å; F199-L261 HydrophobicContact CE1-CG 3.95Å; F199-L261 HydrophobicContact CZ-CD2 4.15Å; F199-L261 HydrophobicContact CZ-CG 4.16Å |
| 200 | V | 97.5 | Very high | 95.9 | Very high | 60 Ų | 60 | 54.6 Ų | 54.6 | 36% | 0.364 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 175.6 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | L196 L197 S203 A204 V259 | L196-V200 HydrophobicContact CD1-CG2 3.8Å; L196-V200 HydrophobicContact CG-CG2 3.99Å; L196-V200 WeakPolarHBondContact O-CG2 3.27Å; L196-V200 PolarHBondContact O-N 3.43Å; L197-V200 PolarHBondContact O-N 3.3Å; V200-S203 PolarHBondContact O-N 2.86Å; V200-A204 VanDerWaalsContact O-CB 3.31Å; V200-A204 WeakPolarHBondContact O-CB 3.24Å; V200-A204 PolarHBondContact O-N 3.31Å; V200-V259 HydrophobicContact CG2-CG2 4.26Å |
| 201 | S | 97.3 | Very high | 95.8 | Very high | 67 Ų | 67 | 56.7 Ų | 56.7 | 47% | 0.469 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.1 | -40.8 | 176.1 | -66.4 | 0 | 0 | 0 | 0 | 112.4 | L197 F198 F199 A204 G205 | L197-S201 VanDerWaalsContact O-CB 3.28Å; L197-S201 WeakPolarHBondContact O-CB 3.47Å; L197-S201 PolarHBondContact O-N 2.84Å; L197-S201 PolarHBondContact O-OG 3.32Å; F198-S201 PolarHBondContact O-N 2.96Å; F199-S201 VanDerWaalsContact C-N 3.34Å; F199-S201 PolarHBondContact O-N 2.93Å; S201-A204 PolarHBondContact O-N 2.92Å; S201-G205 PolarHBondContact O-N 3.39Å |
| 202 | F | 96.1 | Very high | 95.8 | Very high | 83 Ų | 83 | 62.4 Ų | 62.4 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.6 | -46.3 | 174.6 | -100.3 | -87.9 | 0 | 0 | 0 | 112.1 | W59 F198 F199 A204 G205 M206 | W59-F202 AromaticContact CH2-CD1 3.8Å; W59-F202 HydrophobicContact CH2-CD1 3.8Å; W59-F202 HydrophobicContact CH2-CD2 4.31Å; W59-F202 AromaticContact CH2-CE1 3.81Å; W59-F202 HydrophobicContact CH2-CE1 3.81Å; W59-F202 HydrophobicContact CH2-CE2 4.34Å; W59-F202 HydrophobicContact CH2-CG 4.05Å; W59-F202 HydrophobicContact CH2-CZ 4.09Å; W59-F202 HydrophobicContact CZ2-CE1 4.48Å; W59-F202 HydrophobicContact CZ3-CD1 4.37Å; W59-F202 HydrophobicContact CZ3-CG 4.4Å; F198-F202 HydrophobicContact CD1-CD2 4.25Å; F198-F202 HydrophobicContact CD2-CD2 4.15Å; F198-F202 HydrophobicContact CD2-CE2 4.08Å; F198-F202 AromaticContact CE1-CD2 3.86Å; F198-F202 HydrophobicContact CE1-CD2 3.86Å; F198-F202 HydrophobicContact CE1-CE2 4.06Å; F198-F202 AromaticContact CE2-CD2 3.79Å; F198-F202 HydrophobicContact CE2-CD2 3.79Å; F198-F202 AromaticContact CE2-CE2 3.35Å; F198-F202 HydrophobicContact CE2-CE2 3.35Å; F198-F202 HydrophobicContact CE2-CZ 4.39Å; F198-F202 HydrophobicContact CG-CD2 4.37Å; F198-F202 AromaticContact CZ-CD2 3.62Å; F198-F202 HydrophobicContact CZ-CD2 3.62Å; F198-F202 AromaticContact CZ-CE2 3.33Å; F198-F202 HydrophobicContact CZ-CE2 3.33Å; F198-F202 HydrophobicContact CZ-CZ 4.16Å; F198-F202 WeakPolarHBondContact O-CD2 3.49Å; F198-F202 PolarHBondContact O-N 2.63Å; F199-F202 PolarHBondContact O-N 3.16Å; F202-A204 VanDerWaalsContact C-N 3.34Å; F202-A204 PolarHBondContact O-N 3.31Å; F202-G205 PolarHBondContact O-N 3.27Å; F202-M206 WeakPolarHBondContact O-CG 3.28Å; F202-M206 PolarHBondContact O-N 3.24Å |
| 203 | S | 97.1 | Very high | 95.8 | Very high | 7 Ų | 7 | 59.8 Ų | 59.8 | 5% | 0.049 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.8 | -43.1 | 175 | -64.2 | 0 | 0 | 0 | 0 | 112 | F199 V200 M206 L207 C255 L258 | F199-S203 PolarHBondContact O-N 3.41Å; F199-S203 PolarHBondContact O-OG 3.36Å; V200-S203 PolarHBondContact O-N 2.86Å; S203-M206 PolarHBondContact O-N 3.32Å; S203-L207 WeakPolarHBondContact O-CB 3.07Å; S203-L207 PolarHBondContact O-N 3.27Å; S203-C255 PolarHBondContact O-SG 3.39Å; S203-C255 VanDerWaalsContact O-SG 3.34Å; S203-C255 PolarHBondContact OG-O 3.23Å; S203-L258 VanDerWaalsContact OG-CB 3.29Å; S203-L258 WeakPolarHBondContact OG-CB 3.48Å |
| 204 | A | 97.2 | Very high | 95.7 | Very high | 34 Ų | 34 | 57.6 Ų | 57.6 | 28% | 0.281 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.8 | -45 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | V200 S201 F202 M206 L207 F208 | V200-A204 VanDerWaalsContact O-CB 3.31Å; V200-A204 WeakPolarHBondContact O-CB 3.24Å; V200-A204 PolarHBondContact O-N 3.31Å; S201-A204 PolarHBondContact O-N 2.92Å; F202-A204 VanDerWaalsContact C-N 3.34Å; F202-A204 PolarHBondContact O-N 3.31Å; A204-M206 PolarHBondContact O-N 3.15Å; A204-L207 PolarHBondContact O-N 2.98Å; A204-F208 HydrophobicContact CB-CD2 4.25Å; A204-F208 HydrophobicContact CB-CE2 4.12Å; A204-F208 WeakPolarHBondContact O-CB 3.28Å; A204-F208 WeakPolarHBondContact O-CD2 3.34Å; A204-F208 PolarHBondContact O-N 3.45Å |
| 205 | G | 97.4 | Very high | 95.5 | Very high | 38 Ų | 38 | 54.8 Ų | 54.8 | 39% | 0.392 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.4 | -43.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | S201 F202 S209 | S201-G205 PolarHBondContact O-N 3.39Å; F202-G205 PolarHBondContact O-N 3.27Å; G205-S209 VanDerWaalsContact O-CB 3.25Å; G205-S209 WeakPolarHBondContact O-CB 3.39Å; G205-S209 PolarHBondContact O-N 3.16Å; G205-S209 PolarHBondContact O-OG 2.63Å |
| 206 | M | 96.6 | Very high | 95.5 | Very high | 7 Ų | 7 | 52.7 Ų | 52.7 | 3% | 0.034 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 175 | -75.6 | 172 | 55.8 | 0 | 0 | 112.2 | L63 W66 F202 S203 A204 S209 A210 L251 D254 L258 | L63-M206 HydrophobicContact CD2-SD 3.73Å; W66-M206 HydrophobicContact CB-CE 3.33Å; W66-M206 HydrophobicContact CB-SD 4.48Å; W66-M206 HydrophobicContact CD2-CE 4.46Å; W66-M206 HydrophobicContact CD2-CG 3.97Å; W66-M206 HydrophobicContact CG-CB 4.26Å; W66-M206 HydrophobicContact CG-CE 3.56Å; W66-M206 HydrophobicContact CG-CG 3.91Å; W66-M206 HydrophobicContact CG-SD 4.36Å; W66-M206 PolarHBondContact NE1-O 2.9Å; F202-M206 WeakPolarHBondContact O-CG 3.28Å; F202-M206 PolarHBondContact O-N 3.24Å; S203-M206 PolarHBondContact O-N 3.32Å; A204-M206 PolarHBondContact O-N 3.15Å; M206-S209 WeakPolarHBondContact CA-OG 3.41Å; M206-S209 PolarHBondContact O-OG 3.45Å; M206-A210 VanDerWaalsContact O-CB 3.32Å; M206-A210 WeakPolarHBondContact O-CB 3.38Å; M206-A210 PolarHBondContact O-N 3.12Å; M206-A210 VanDerWaalsContact O-N 3.13Å; M206-L251 HydrophobicContact CB-CD1 4.29Å; M206-D254 HydrophobicContact CE-CB 3.56Å; M206-L258 HydrophobicContact CE-CD1 4.42Å; M206-L258 HydrophobicContact SD-CD1 3.52Å; M206-L258 VanDerWaalsContact SD-CD1 3.52Å |
| 207 | L | 95.4 | Very high | 95.2 | Very high | 72 Ų | 72 | 51.6 Ų | 51.6 | 38% | 0.377 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.6 | -52.4 | 176.8 | 178 | 62.5 | 0 | 0 | 0 | 111.7 | S203 A204 S209 A210 L211 L251 | S203-L207 WeakPolarHBondContact O-CB 3.07Å; S203-L207 PolarHBondContact O-N 3.27Å; A204-L207 PolarHBondContact O-N 2.98Å; L207-S209 PolarHBondContact O-N 2.97Å; L207-A210 PolarHBondContact O-N 3.13Å; L207-L211 HydrophobicContact CD1-CD1 4Å; L207-L211 HydrophobicContact CD1-CG 4.22Å; L207-L211 HydrophobicContact CG-CD1 3.98Å; L207-L211 VanDerWaalsContact O-CG 3.32Å; L207-L211 WeakPolarHBondContact O-CG 3.36Å; L207-L211 PolarHBondContact O-N 3.43Å; L207-L251 HydrophobicContact CD1-CD2 3.74Å; L207-L251 HydrophobicContact CD1-CG 4.46Å |
| 208 | F | 95.9 | Very high | 94.9 | Very high | 126 Ų | 126 | 50.4 Ų | 50.4 | 55% | 0.553 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64.9 | -41.4 | -177.8 | -73 | -58.6 | 0 | 0 | 0 | 112.2 | A204 A210 L211 I212 | A204-F208 HydrophobicContact CB-CD2 4.25Å; A204-F208 HydrophobicContact CB-CE2 4.12Å; A204-F208 WeakPolarHBondContact O-CB 3.28Å; A204-F208 WeakPolarHBondContact O-CD2 3.34Å; A204-F208 PolarHBondContact O-N 3.45Å; F208-A210 VanDerWaalsContact C-N 3.34Å; F208-A210 PolarHBondContact O-N 2.92Å; F208-L211 PolarHBondContact O-N 3.31Å; F208-I212 WeakPolarHBondContact O-CB 3.28Å; F208-I212 WeakPolarHBondContact O-CD1 3.24Å; F208-I212 WeakPolarHBondContact O-CG1 3.48Å; F208-I212 PolarHBondContact O-N 2.93Å |
| 209 | S | 96.3 | Very high | 94.7 | Very high | 39 Ų | 39 | 55 Ų | 55 | 27% | 0.273 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 175.7 | 53.6 | 0 | 0 | 0 | 0 | 112.2 | W66 G205 M206 L207 I212 L213 | W66-S209 VanDerWaalsContact CZ2-OG 3.29Å; W66-S209 WeakPolarHBondContact CZ2-OG 3.2Å; G205-S209 VanDerWaalsContact O-CB 3.25Å; G205-S209 WeakPolarHBondContact O-CB 3.39Å; G205-S209 PolarHBondContact O-N 3.16Å; G205-S209 PolarHBondContact O-OG 2.63Å; M206-S209 WeakPolarHBondContact CA-OG 3.41Å; M206-S209 PolarHBondContact O-OG 3.45Å; L207-S209 PolarHBondContact O-N 2.97Å; S209-I212 PolarHBondContact O-N 3.38Å; S209-L213 WeakPolarHBondContact O-CB 3.27Å; S209-L213 PolarHBondContact O-N 3.35Å |
| 210 | A | 94 | Very high | 94.4 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | M70 W73 M206 L207 F208 L213 N214 L251 | M70-A210 HydrophobicContact CE-CB 3.44Å; M70-A210 VanDerWaalsContact CE-CB 3.44Å; M70-A210 HydrophobicContact SD-CB 4.11Å; W73-A210 HydrophobicContact CH2-CB 4.45Å; W73-A210 HydrophobicContact CZ3-CB 4.01Å; W73-A210 WeakPolarHBondContact CZ3-O 3.41Å; M206-A210 VanDerWaalsContact O-CB 3.32Å; M206-A210 WeakPolarHBondContact O-CB 3.38Å; M206-A210 PolarHBondContact O-N 3.12Å; M206-A210 VanDerWaalsContact O-N 3.13Å; L207-A210 PolarHBondContact O-N 3.13Å; F208-A210 VanDerWaalsContact C-N 3.34Å; F208-A210 PolarHBondContact O-N 2.92Å; A210-L213 PolarHBondContact O-N 2.84Å; A210-N214 VanDerWaalsContact O-CB 3.25Å; A210-N214 WeakPolarHBondContact O-CB 3.45Å; A210-N214 PolarHBondContact O-N 3.02Å; A210-L251 HydrophobicContact CB-CD1 4.23Å; A210-L251 HydrophobicContact CB-CD2 3.6Å |
| 211 | L | 92.6 | Very high | 93.9 | Very high | 67 Ų | 67 | 60.8 Ų | 60.8 | 35% | 0.351 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.5 | -43.4 | 177.8 | -70 | 172.7 | 0 | 0 | 0 | 112.2 | L207 F208 L213 N214 V215 F248 | L207-L211 HydrophobicContact CD1-CD1 4Å; L207-L211 HydrophobicContact CD1-CG 4.22Å; L207-L211 HydrophobicContact CG-CD1 3.98Å; L207-L211 VanDerWaalsContact O-CG 3.32Å; L207-L211 WeakPolarHBondContact O-CG 3.36Å; L207-L211 PolarHBondContact O-N 3.43Å; F208-L211 PolarHBondContact O-N 3.31Å; L211-L213 VanDerWaalsContact C-N 3.35Å; L211-N214 WeakPolarHBondContact O-CB 3.4Å; L211-N214 PolarHBondContact O-N 3.48Å; L211-V215 WeakPolarHBondContact O-CG2 3.14Å; L211-V215 PolarHBondContact O-N 2.93Å; L211-F248 HydrophobicContact CD2-CE1 4.02Å |
| 212 | I | 94.8 | Very high | 93.4 | Very high | 124 Ų | 124 | 60.2 Ų | 60.2 | 64% | 0.636 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -61.7 | -45.2 | 176.8 | -71.1 | 164.6 | 0 | 0 | 0 | 110.1 | F208 S209 G216 | F208-I212 WeakPolarHBondContact O-CB 3.28Å; F208-I212 WeakPolarHBondContact O-CD1 3.24Å; F208-I212 WeakPolarHBondContact O-CG1 3.48Å; F208-I212 PolarHBondContact O-N 2.93Å; S209-I212 PolarHBondContact O-N 3.38Å; I212-G216 WeakPolarHBondContact O-CA 3.26Å; I212-G216 PolarHBondContact O-N 3.37Å |
| 213 | L | 93.4 | Very high | 92.7 | Very high | 43 Ų | 43 | 60.6 Ų | 60.6 | 23% | 0.225 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 176.6 | -179.4 | 59.4 | 0 | 0 | 0 | 111.2 | M70 W73 V74 S209 A210 L211 G216 L217 | M70-L213 HydrophobicContact CB-CD2 4.28Å; M70-L213 HydrophobicContact SD-CD2 3.76Å; W73-L213 HydrophobicContact CB-CD2 4.24Å; W73-L213 HydrophobicContact CE3-CD2 3.96Å; W73-L213 HydrophobicContact CE3-CG 4.25Å; V74-L213 HydrophobicContact CG2-CD1 4.15Å; V74-L213 HydrophobicContact CG2-CD2 4.05Å; S209-L213 WeakPolarHBondContact O-CB 3.27Å; S209-L213 PolarHBondContact O-N 3.35Å; A210-L213 PolarHBondContact O-N 2.84Å; L211-L213 VanDerWaalsContact C-N 3.35Å; L213-G216 PolarHBondContact O-N 3.44Å; L213-L217 HydrophobicContact CD1-CD1 3.99Å; L213-L217 HydrophobicContact CD1-CD2 4.46Å; L213-L217 HydrophobicContact CD1-CG 3.98Å; L213-L217 HydrophobicContact CG-CD1 4.05Å; L213-L217 HydrophobicContact CG-CG 4.43Å; L213-L217 WeakPolarHBondContact O-CB 3.38Å; L213-L217 VanDerWaalsContact O-CG 3.26Å; L213-L217 WeakPolarHBondContact O-CG 3.29Å; L213-L217 PolarHBondContact O-N 2.91Å |
| 214 | N | 90.3 | Very high | 91.8 | Very high | 21 Ų | 21 | 61.1 Ų | 61.1 | 11% | 0.112 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57.6 | -52.6 | 177.8 | 178 | -90.1 | 0 | 0 | 0 | 112 | W73 A210 L211 L217 Q218 L224 F248 | W73-N214 HydrophobicContact CH2-CB 4.3Å; W73-N214 HydrophobicContact CZ3-CB 4.27Å; A210-N214 VanDerWaalsContact O-CB 3.25Å; A210-N214 WeakPolarHBondContact O-CB 3.45Å; A210-N214 PolarHBondContact O-N 3.02Å; L211-N214 WeakPolarHBondContact O-CB 3.4Å; L211-N214 PolarHBondContact O-N 3.48Å; N214-L217 PolarHBondContact O-N 3.06Å; N214-Q218 WeakPolarHBondContact O-CG 3.44Å; N214-Q218 PolarHBondContact O-N 3.2Å; N214-Q218 VanDerWaalsContact O-N 3.16Å; N214-L224 HydrophobicContact CB-CD1 4.13Å; N214-L224 WeakPolarHBondContact ND2-CD1 3.29Å; N214-F248 HydrophobicContact CB-CZ 4.47Å |
| 215 | V | 91.5 | Very high | 91.1 | Very high | 73 Ų | 73 | 64.8 Ų | 64.8 | 44% | 0.442 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.1 | -43 | 178 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | L211 L217 Q218 L219 | L211-V215 WeakPolarHBondContact O-CG2 3.14Å; L211-V215 PolarHBondContact O-N 2.93Å; V215-L217 PolarHBondContact O-N 3.17Å; V215-Q218 PolarHBondContact O-N 3.16Å; V215-L219 HydrophobicContact CG1-CD1 3.98Å; V215-L219 HydrophobicContact CG1-CG 4.23Å; V215-L219 WeakPolarHBondContact O-CG 3.35Å; V215-L219 PolarHBondContact O-N 2.94Å |
| 216 | G | 93.8 | Very high | 90.7 | Very high | 31 Ų | 31 | 65.5 Ų | 65.5 | 32% | 0.32 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.9 | -44.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I212 L213 L219 V220 | I212-G216 WeakPolarHBondContact O-CA 3.26Å; I212-G216 PolarHBondContact O-N 3.37Å; L213-G216 PolarHBondContact O-N 3.44Å; G216-L219 PolarHBondContact O-N 3.4Å; G216-V220 WeakPolarHBondContact O-CG2 3.29Å; G216-V220 PolarHBondContact O-N 3.38Å |
| 217 | L | 91.4 | Very high | 90.3 | Very high | 21 Ų | 21 | 65.3 Ų | 65.3 | 11% | 0.11 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 176.1 | -70 | 175.3 | 0 | 0 | 0 | 111.9 | W73 F76 L213 N214 V215 L219 V220 G221 I222 L224 | W73-L217 HydrophobicContact CB-CD1 3.87Å; F76-L217 HydrophobicContact CE2-CD2 4.46Å; F76-L217 HydrophobicContact CZ-CD1 4.1Å; F76-L217 HydrophobicContact CZ-CD2 3.94Å; L213-L217 HydrophobicContact CD1-CD1 3.99Å; L213-L217 HydrophobicContact CD1-CD2 4.46Å; L213-L217 HydrophobicContact CD1-CG 3.98Å; L213-L217 HydrophobicContact CG-CD1 4.05Å; L213-L217 HydrophobicContact CG-CG 4.43Å; L213-L217 WeakPolarHBondContact O-CB 3.38Å; L213-L217 VanDerWaalsContact O-CG 3.26Å; L213-L217 WeakPolarHBondContact O-CG 3.29Å; L213-L217 PolarHBondContact O-N 2.91Å; N214-L217 PolarHBondContact O-N 3.06Å; V215-L217 PolarHBondContact O-N 3.17Å; L217-L219 VanDerWaalsContact C-N 3.35Å; L217-L219 PolarHBondContact O-N 3.31Å; L217-V220 PolarHBondContact O-N 2.83Å; L217-G221 PolarHBondContact O-N 3.35Å; L217-I222 HydrophobicContact CB-CB 4.35Å; L217-I222 HydrophobicContact CD2-CD1 3.93Å; L217-I222 WeakPolarHBondContact O-CB 3.16Å; L217-I222 PolarHBondContact O-N 3.32Å; L217-L224 HydrophobicContact CD1-CD1 4.47Å; L217-L224 HydrophobicContact CD1-CD2 3.93Å |
| 218 | Q | 89.8 | Confident | 89.9 | Confident | 101 Ų | 101 | 63.5 Ų | 63.5 | 47% | 0.472 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.2 | -40.6 | 175 | -72.7 | 177.2 | -7.8 | 0 | 0 | 112.4 | N214 V215 V220 G221 | N214-Q218 WeakPolarHBondContact O-CG 3.44Å; N214-Q218 PolarHBondContact O-N 3.2Å; N214-Q218 VanDerWaalsContact O-N 3.16Å; V215-Q218 PolarHBondContact O-N 3.16Å; Q218-V220 VanDerWaalsContact C-N 3.26Å; Q218-V220 PolarHBondContact O-N 2.89Å; Q218-G221 PolarHBondContact O-N 2.83Å |
| 219 | L | 92.8 | Very high | 89.6 | Confident | 142 Ų | 142 | 60.3 Ų | 60.3 | 74% | 0.743 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -64.7 | -29.7 | 177.3 | -71.4 | 173.8 | 0 | 0 | 0 | 112.9 | V215 G216 L217 G221 | V215-L219 HydrophobicContact CG1-CD1 3.98Å; V215-L219 HydrophobicContact CG1-CG 4.23Å; V215-L219 WeakPolarHBondContact O-CG 3.35Å; V215-L219 PolarHBondContact O-N 2.94Å; G216-L219 PolarHBondContact O-N 3.4Å; L217-L219 VanDerWaalsContact C-N 3.35Å; L217-L219 PolarHBondContact O-N 3.31Å; L219-G221 PolarHBondContact O-N 3.21Å |
| 220 | V | 92.1 | Very high | 89.4 | Confident | 115 Ų | 115 | 59.8 Ų | 59.8 | 70% | 0.697 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | 4.9 | 174.6 | -177.1 | 0 | 0 | 0 | 0 | 111.7 | G216 L217 Q218 | G216-V220 WeakPolarHBondContact O-CG2 3.29Å; G216-V220 PolarHBondContact O-N 3.38Å; L217-V220 PolarHBondContact O-N 2.83Å; Q218-V220 VanDerWaalsContact C-N 3.26Å; Q218-V220 PolarHBondContact O-N 2.89Å |
| 221 | G | 87.6 | Confident | 89.1 | Confident | 66 Ų | 66 | 59.8 Ų | 59.8 | 68% | 0.68 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.2 | 14.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L217 Q218 L219 | L217-G221 PolarHBondContact O-N 3.35Å; Q218-G221 PolarHBondContact O-N 2.83Å; L219-G221 PolarHBondContact O-N 3.21Å |
| 222 | I | 85.4 | Confident | 89 | Confident | 54 Ų | 54 | 63.5 Ų | 63.5 | 28% | 0.277 | 36% | 0.361 | S | S | . | . | trans | -91.9 | 105.1 | 177.1 | -59.5 | 168.6 | 0 | 0 | 0 | 109.4 | F76 L217 L224 | F76-I222 HydrophobicContact CD1-CG2 4.11Å; F76-I222 HydrophobicContact CE1-CB 4.48Å; F76-I222 HydrophobicContact CE1-CG2 3.15Å; F76-I222 HydrophobicContact CE2-CD1 4.03Å; F76-I222 HydrophobicContact CE2-CG2 4.4Å; F76-I222 HydrophobicContact CZ-CB 4.28Å; F76-I222 HydrophobicContact CZ-CD1 3.77Å; F76-I222 HydrophobicContact CZ-CG1 4.48Å; F76-I222 HydrophobicContact CZ-CG2 3.32Å; L217-I222 HydrophobicContact CB-CB 4.35Å; L217-I222 HydrophobicContact CD2-CD1 3.93Å; L217-I222 WeakPolarHBondContact O-CB 3.16Å; L217-I222 PolarHBondContact O-N 3.32Å; I222-L224 PolarHBondContact O-N 3.48Å | ||
| 223 | D | 81.4 | Confident | 88.9 | Confident | 91 Ų | 91 | 63.7 Ų | 63.7 | 49% | 0.487 | 36% | 0.357 | S | S | . | . | trans | -75.6 | 108 | 177.8 | 177.1 | 17.6 | 0 | 0 | 0 | 111.3 | L225 W226 | D223-L225 PolarHBondContact O-N 2.72Å; D223-L225 VanDerWaalsContact O-N 3.13Å; D223-L225 VanDerWaalsContact OD1-CB 3.3Å; D223-L225 WeakPolarHBondContact OD1-CB 3.35Å; D223-L225 PolarHBondContact OD1-N 2.89Å; D223-W226 VanDerWaalsContact O-CB 3.29Å; D223-W226 WeakPolarHBondContact O-CB 3.41Å; D223-W226 PolarHBondContact O-N 3.12Å | ||
| 224 | L | 77.9 | Confident | 88.9 | Confident | 18 Ų | 18 | 65.4 Ų | 65.4 | 9% | 0.094 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -11.1 | 177.4 | -70.9 | 172 | 0 | 0 | 0 | 114.7 | W73 F76 N214 L217 I222 W226 | W73-L224 HydrophobicContact CB-CD2 4.27Å; W73-L224 HydrophobicContact CG-CD2 3.93Å; F76-L224 HydrophobicContact CE1-CD2 4.43Å; N214-L224 HydrophobicContact CB-CD1 4.13Å; N214-L224 WeakPolarHBondContact ND2-CD1 3.29Å; L217-L224 HydrophobicContact CD1-CD1 4.47Å; L217-L224 HydrophobicContact CD1-CD2 3.93Å; I222-L224 PolarHBondContact O-N 3.48Å; L224-W226 VanDerWaalsContact C-N 3.27Å |
| 225 | L | 83.4 | Confident | 89 | Confident | 112 Ų | 112 | 65.2 Ų | 65.2 | 59% | 0.586 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -5.9 | 172.8 | -61.3 | 172.4 | 0 | 0 | 0 | 112.9 | D223 S227 V228 A229 | D223-L225 PolarHBondContact O-N 2.72Å; D223-L225 VanDerWaalsContact O-N 3.13Å; D223-L225 VanDerWaalsContact OD1-CB 3.3Å; D223-L225 WeakPolarHBondContact OD1-CB 3.35Å; D223-L225 PolarHBondContact OD1-N 2.89Å; L225-S227 VanDerWaalsContact C-N 3.29Å; L225-S227 PolarHBondContact O-N 2.84Å; L225-V228 HydrophobicContact CD2-CG2 4.34Å; L225-V228 WeakPolarHBondContact O-CB 3.31Å; L225-V228 PolarHBondContact O-N 3.34Å; L225-A229 PolarHBondContact O-N 3.44Å |
| 226 | W | 88.2 | Confident | 88.9 | Confident | 52 Ų | 52 | 65.2 Ų | 65.2 | 20% | 0.197 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -51.1 | -47.2 | 178.4 | 77.2 | -85.2 | 0 | 0 | 0 | 112.4 | F76 W82 P108 D223 L224 V228 A229 L230 | F76-W226 HydrophobicContact CB-CZ2 4.28Å; F76-W226 HydrophobicContact CD1-CZ2 4.34Å; F76-W226 AromaticContact CD1-NE1 3.66Å; W82-W226 HydrophobicContact CZ2-CH2 4.5Å; P108-W226 HydrophobicContact CB-CZ2 4.15Å; P108-W226 HydrophobicContact CG-CZ2 4.09Å; D223-W226 VanDerWaalsContact O-CB 3.29Å; D223-W226 WeakPolarHBondContact O-CB 3.41Å; D223-W226 PolarHBondContact O-N 3.12Å; L224-W226 VanDerWaalsContact C-N 3.27Å; W226-V228 VanDerWaalsContact C-N 3.33Å; W226-V228 PolarHBondContact O-N 3.44Å; W226-A229 PolarHBondContact O-N 2.89Å; W226-L230 HydrophobicContact CE3-CD1 3.48Å; W226-L230 VanDerWaalsContact CE3-CD1 3.48Å; W226-L230 HydrophobicContact CE3-CG 4.44Å; W226-L230 HydrophobicContact CZ3-CD1 3.46Å; W226-L230 VanDerWaalsContact CZ3-CD1 3.46Å; W226-L230 WeakPolarHBondContact O-CG 3.34Å; W226-L230 PolarHBondContact O-N 2.99Å |
| 227 | S | 88.6 | Confident | 88.6 | Confident | 3 Ų | 3 | 66.1 Ų | 66.1 | 2% | 0.021 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -71.8 | -31.1 | -177.7 | 67.9 | 0 | 0 | 0 | 0 | 111.7 | T106 L225 A231 | T106-S227 CarbonylContact O-C 3.38Å; T106-S227 WeakPolarHBondContact O-CB 3.42Å; T106-S227 PolarHBondContact O-OG 3.04Å; L225-S227 VanDerWaalsContact C-N 3.29Å; L225-S227 PolarHBondContact O-N 2.84Å; S227-A231 VanDerWaalsContact O-CB 3.3Å; S227-A231 WeakPolarHBondContact O-CB 3.5Å; S227-A231 PolarHBondContact O-N 3.29Å |
| 228 | V | 87.4 | Confident | 88.3 | Confident | 34 Ų | 34 | 69.4 Ų | 69.4 | 21% | 0.206 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -68.2 | -42 | 174.3 | -177.1 | 0 | 0 | 0 | 0 | 110.3 | L225 W226 A231 K232 | L225-V228 HydrophobicContact CD2-CG2 4.34Å; L225-V228 WeakPolarHBondContact O-CB 3.31Å; L225-V228 PolarHBondContact O-N 3.34Å; W226-V228 VanDerWaalsContact C-N 3.33Å; W226-V228 PolarHBondContact O-N 3.44Å; V228-A231 PolarHBondContact O-N 2.93Å; V228-K232 HydrophobicContact CG1-CD 4.41Å; V228-K232 WeakPolarHBondContact O-CG 3.39Å; V228-K232 PolarHBondContact O-N 3.4Å |
| 229 | A | 89.4 | Confident | 87.9 | Confident | 60 Ų | 60 | 73.2 Ų | 73.2 | 50% | 0.496 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.2 | -44.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L225 W226 K232 K233 | L225-A229 PolarHBondContact O-N 3.44Å; W226-A229 PolarHBondContact O-N 2.89Å; A229-K232 PolarHBondContact O-N 3.27Å; A229-K233 VanDerWaalsContact O-CB 3.31Å; A229-K233 WeakPolarHBondContact O-CB 3.5Å; A229-K233 PolarHBondContact O-N 3.38Å |
| 230 | L | 91.1 | Very high | 87.6 | Confident | 27 Ų | 27 | 69.4 Ų | 69.4 | 14% | 0.141 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 174.9 | -71.9 | 177.6 | 0 | 0 | 0 | 112.4 | W82 E86 W226 K232 K233 W234 | W82-L230 HydrophobicContact CB-CB 4.24Å; W82-L230 HydrophobicContact CD2-CB 4.01Å; W82-L230 HydrophobicContact CE3-CB 4.21Å; W82-L230 HydrophobicContact CG-CB 4.03Å; W82-L230 HydrophobicContact CG-CD1 4.39Å; E86-L230 HydrophobicContact CG-CD2 3.89Å; W226-L230 HydrophobicContact CE3-CD1 3.48Å; W226-L230 VanDerWaalsContact CE3-CD1 3.48Å; W226-L230 HydrophobicContact CE3-CG 4.44Å; W226-L230 HydrophobicContact CZ3-CD1 3.46Å; W226-L230 VanDerWaalsContact CZ3-CD1 3.46Å; W226-L230 WeakPolarHBondContact O-CG 3.34Å; W226-L230 PolarHBondContact O-N 2.99Å; L230-K232 VanDerWaalsContact C-N 3.35Å; L230-K232 PolarHBondContact O-N 3.33Å; L230-K233 PolarHBondContact O-N 3.34Å; L230-W234 PolarHBondContact O-N 3.15Å |
| 231 | A | 89.3 | Confident | 87 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.1 | -46 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | F81 W82 T106 S227 V228 K233 C235 | F81-A231 HydrophobicContact CZ-CB 4.14Å; W82-A231 HydrophobicContact CE3-CB 4.21Å; W82-A231 HydrophobicContact CZ3-CB 4.01Å; T106-A231 HydrophobicContact CG2-CB 4.22Å; S227-A231 VanDerWaalsContact O-CB 3.3Å; S227-A231 WeakPolarHBondContact O-CB 3.5Å; S227-A231 PolarHBondContact O-N 3.29Å; V228-A231 PolarHBondContact O-N 2.93Å; A231-K233 VanDerWaalsContact C-N 3.34Å; A231-K233 PolarHBondContact O-N 2.93Å; A231-C235 WeakPolarHBondContact O-CB 3.28Å; A231-C235 PolarHBondContact O-N 2.84Å |
| 232 | K | 90.1 | Very high | 86 | Confident | 145 Ų | 145 | 66.5 Ų | 66.5 | 63% | 0.63 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65.2 | -35.9 | 176.9 | -74.5 | -179.2 | 178 | -176.2 | 0 | 113.1 | V228 A229 L230 V241 | V228-K232 HydrophobicContact CG1-CD 4.41Å; V228-K232 WeakPolarHBondContact O-CG 3.39Å; V228-K232 PolarHBondContact O-N 3.4Å; A229-K232 PolarHBondContact O-N 3.27Å; L230-K232 VanDerWaalsContact C-N 3.35Å; L230-K232 PolarHBondContact O-N 3.33Å; K232-V241 HydrophobicContact CG-CG1 4.23Å |
| 233 | K | 92.6 | Very high | 84.9 | Confident | 129 Ų | 129 | 69.2 Ų | 69.2 | 56% | 0.561 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -70.5 | -41.1 | -179.3 | -179 | -179.9 | 174.2 | -169.9 | 0 | 112.4 | E86 A229 L230 A231 | E86-K233 WeakPolarHBondContact OE1-CE 3.47Å; E86-K233 IonicContact OE1-NZ 3.03Å; E86-K233 PolarHBondContact OE1-NZ 3.46Å; A229-K233 VanDerWaalsContact O-CB 3.31Å; A229-K233 WeakPolarHBondContact O-CB 3.5Å; A229-K233 PolarHBondContact O-N 3.38Å; L230-K233 PolarHBondContact O-N 3.34Å; A231-K233 VanDerWaalsContact C-N 3.34Å; A231-K233 PolarHBondContact O-N 2.93Å |
| 234 | W | 92.5 | Very high | 83.6 | Confident | 79 Ų | 79 | 67.3 Ų | 67.3 | 30% | 0.299 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -109.2 | -5 | -168.8 | -66.3 | 106 | 0 | 0 | 0 | 114.9 | F81 W82 G85 E86 Q99 L230 | F81-W234 HydrophobicContact CD2-CB 4.36Å; W82-W234 HydrophobicContact CB-CB 3.7Å; W82-W234 HydrophobicContact CB-CG 3.82Å; G85-W234 VanDerWaalsContact CA-CZ2 3.48Å; G85-W234 VanDerWaalsContact O-CH2 3.28Å; G85-W234 WeakPolarHBondContact O-CH2 3.3Å; G85-W234 WeakPolarHBondContact O-CZ2 3.45Å; E86-W234 HydrophobicContact CG-CZ2 4.41Å; E86-W234 WeakPolarHBondContact OE1-CZ2 3.46Å; E86-W234 PolarHBondContact OE1-NE1 3.2Å; Q99-W234 PolarHBondContact NE2-O 3.46Å; L230-W234 PolarHBondContact O-N 3.15Å |
| 235 | C | 92 | Very high | 82.6 | Confident | 17 Ų | 17 | 68 Ų | 68 | 12% | 0.115 | 36% | 0.357 | C | S | . | . | trans | -69.5 | 134.1 | 171.8 | -174.8 | 0 | 0 | 0 | 0 | 111 | C104 A231 C237 V241 | C104-C235 HydrophobicContact CB-CB 3.7Å; C104-C235 WeakPolarHBondContact CB-SG 3.35Å; C104-C235 VanDerWaalsContact SG-CA 3.54Å; C104-C235 WeakPolarHBondContact SG-CB 3.41Å; C104-C235 CovalentContact SG-SG 2.02Å; C104-C235 PolarHBondContact SG-SG 2.9Å; A231-C235 WeakPolarHBondContact O-CB 3.28Å; A231-C235 PolarHBondContact O-N 2.84Å; C235-C237 VanDerWaalsContact C-N 3.32Å; C235-C237 PolarHBondContact O-N 3.4Å; C235-C237 PolarHBondContact SG-O 3.21Å; C235-V241 HydrophobicContact CB-CG2 3.83Å | ||
| 236 | S | 90.6 | Very high | 82 | Confident | 72 Ų | 72 | 63.8 Ų | 63.8 | 50% | 0.503 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -69.3 | -26.9 | 179.9 | 55.3 | 0 | 0 | 0 | 0 | 114 | Q99 W240 | Q99-S236 PolarHBondContact OE1-OG 3.48Å; S236-W240 WeakPolarHBondContact OG-CZ3 3.42Å |
| 237 | C | 88.1 | Confident | 81.4 | Confident | 50 Ų | 50 | 62.2 Ų | 62.2 | 34% | 0.338 | 33% | 0.332 | S | S | . | . | trans | -135.6 | 121.5 | 179.8 | -58.2 | 0 | 0 | 0 | 0 | 110.7 | C235 E239 W240 | C235-C237 VanDerWaalsContact C-N 3.32Å; C235-C237 PolarHBondContact O-N 3.4Å; C235-C237 PolarHBondContact SG-O 3.21Å; C237-E239 PolarHBondContact O-N 3.34Å; C237-E239 VanDerWaalsContact O-N 3.15Å; C237-W240 HydrophobicContact CB-CD2 3.54Å; C237-W240 HydrophobicContact CB-CE3 3.98Å; C237-W240 HydrophobicContact CB-CG 3.81Å; C237-W240 HydrophobicContact CB-CZ2 4.16Å; C237-W240 HydrophobicContact CB-CZ3 4.47Å; C237-W240 WeakPolarHBondContact O-CB 3.33Å; C237-W240 PolarHBondContact O-N 3.45Å | ||
| 238 | A | 83.3 | Confident | 81.2 | Confident | 90 Ų | 90 | 64.6 Ų | 64.6 | 74% | 0.744 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -58.5 | -31.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | W240 V241 | A238-W240 PolarHBondContact O-N 2.91Å; A238-V241 WeakPolarHBondContact O-CB 3.49Å; A238-V241 PolarHBondContact O-N 2.95Å; A238-V241 VanDerWaalsContact O-N 3.16Å |
| 239 | E | 83.3 | Confident | 81.2 | Confident | 181 Ų | 181 | 63.2 Ų | 63.2 | 85% | 0.846 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -65 | -22.1 | 176.8 | -63.4 | -179.6 | 178.9 | 0 | 0 | 113.5 | C237 V241 | C237-E239 PolarHBondContact O-N 3.34Å; C237-E239 VanDerWaalsContact O-N 3.15Å; E239-V241 VanDerWaalsContact C-N 3.27Å |
| 240 | W | 85.1 | Confident | 81.2 | Confident | 62 Ų | 62 | 61 Ų | 61 | 24% | 0.235 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -80.6 | -10.5 | 177.7 | -58 | -10.2 | 0 | 0 | 0 | 112.5 | Q99 F100 P101 C104 S236 C237 A238 R242 | Q99-W240 HydrophobicContact CB-CZ3 4.07Å; F100-W240 VanDerWaalsContact O-CE3 3.31Å; P101-W240 HydrophobicContact CB-CD2 4.35Å; P101-W240 HydrophobicContact CB-CG 4.34Å; P101-W240 HydrophobicContact CG-CD2 4.47Å; P101-W240 HydrophobicContact CG-CZ2 3.98Å; C104-W240 HydrophobicContact CB-CB 4.08Å; S236-W240 WeakPolarHBondContact OG-CZ3 3.42Å; C237-W240 HydrophobicContact CB-CD2 3.54Å; C237-W240 HydrophobicContact CB-CE3 3.98Å; C237-W240 HydrophobicContact CB-CG 3.81Å; C237-W240 HydrophobicContact CB-CZ2 4.16Å; C237-W240 HydrophobicContact CB-CZ3 4.47Å; C237-W240 WeakPolarHBondContact O-CB 3.33Å; C237-W240 PolarHBondContact O-N 3.45Å; A238-W240 PolarHBondContact O-N 2.91Å; W240-R242 PolarHBondContact O-N 3.4Å |
| 241 | V | 80.5 | Confident | 81.3 | Confident | 31 Ų | 31 | 59.9 Ų | 59.9 | 19% | 0.188 | 31% | 0.31 | C | S | . | . | trans | -79.1 | 89.5 | 175.5 | -175.2 | 0 | 0 | 0 | 0 | 108.7 | C104 T106 K232 C235 A238 E239 | C104-V241 HydrophobicContact CB-CG2 4.28Å; T106-V241 HydrophobicContact CG2-CG1 3.53Å; K232-V241 HydrophobicContact CG-CG1 4.23Å; C235-V241 HydrophobicContact CB-CG2 3.83Å; A238-V241 WeakPolarHBondContact O-CB 3.49Å; A238-V241 PolarHBondContact O-N 2.95Å; A238-V241 VanDerWaalsContact O-N 3.16Å; E239-V241 VanDerWaalsContact C-N 3.27Å | ||
| 242 | R | 65.9 | Low | 81.5 | Confident | 90 Ų | 90 | 60.4 Ų | 60.4 | 34% | 0.34 | 31% | 0.314 | S | S | . | . | trans | -89.6 | 133.9 | -174.2 | -52.5 | -174.5 | -64.6 | -174.7 | 1.7 | 113 | W240 D244 T245 | W240-R242 PolarHBondContact O-N 3.4Å; R242-D244 VanDerWaalsContact C-N 3.31Å; R242-D244 WeakPolarHBondContact CB-OD1 3.42Å; R242-D244 IonicContact CZ-OD2 3.8Å; R242-D244 IonicContact NE-OD1 3.56Å; R242-D244 IonicContact NE-OD2 3.74Å; R242-D244 IonicContact NH1-OD2 3.96Å; R242-T245 HydrophobicContact CB-CG2 4.44Å; R242-T245 PolarHBondContact O-N 3.06Å; R242-T245 PolarHBondContact O-OG1 2.91Å | ||
| 243 | L | 61.4 | Low | 81.7 | Confident | 110 Ų | 110 | 54.1 Ų | 54.1 | 58% | 0.576 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -72.2 | -21.1 | 176.7 | -71.5 | 169.7 | 0 | 0 | 0 | 113.6 | T245 V246 | L243-T245 PolarHBondContact O-N 2.88Å; L243-V246 HydrophobicContact CD2-CG2 4.2Å; L243-V246 WeakPolarHBondContact O-CB 3.3Å; L243-V246 WeakPolarHBondContact O-CG2 3.44Å; L243-V246 PolarHBondContact O-N 2.96Å |
| 244 | D | 55.9 | Low | 81.8 | Confident | 52 Ų | 52 | 48 Ų | 48 | 28% | 0.278 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -64.6 | -23.7 | 175.8 | 62.8 | -10.2 | 0 | 0 | 0 | 112.8 | R242 V246 S249 | R242-D244 VanDerWaalsContact C-N 3.31Å; R242-D244 WeakPolarHBondContact CB-OD1 3.42Å; R242-D244 IonicContact CZ-OD2 3.8Å; R242-D244 IonicContact NE-OD1 3.56Å; R242-D244 IonicContact NE-OD2 3.74Å; R242-D244 IonicContact NH1-OD2 3.96Å; D244-V246 PolarHBondContact O-N 3.36Å; D244-S249 WeakPolarHBondContact O-CB 3.41Å; D244-S249 PolarHBondContact O-OG 3.22Å |
| 245 | T | 56.7 | Low | 82.1 | Confident | 33 Ų | 33 | 44.5 Ų | 44.5 | 20% | 0.202 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -79.6 | -3.3 | 173.9 | 69 | 0 | 0 | 0 | 0 | 113.7 | E105 T106 R242 L243 | E105-T245 HydrophobicContact CB-CG2 4.5Å; E105-T245 HydrophobicContact CG-CG2 4.18Å; T106-T245 PolarHBondContact N-OG1 2.84Å; T106-T245 PolarHBondContact OG1-OG1 3.26Å; R242-T245 HydrophobicContact CB-CG2 4.44Å; R242-T245 PolarHBondContact O-N 3.06Å; R242-T245 PolarHBondContact O-OG1 2.91Å; L243-T245 PolarHBondContact O-N 2.88Å |
| 246 | V | 70.3 | Confident | 82.3 | Confident | 23 Ų | 23 | 43.7 Ų | 43.7 | 14% | 0.139 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -70.6 | 134.6 | 179 | 178 | 0 | 0 | 0 | 0 | 109.2 | L243 D244 F248 S249 | L243-V246 HydrophobicContact CD2-CG2 4.2Å; L243-V246 WeakPolarHBondContact O-CB 3.3Å; L243-V246 WeakPolarHBondContact O-CG2 3.44Å; L243-V246 PolarHBondContact O-N 2.96Å; D244-V246 PolarHBondContact O-N 3.36Å; V246-F248 VanDerWaalsContact C-N 3.3Å; V246-F248 PolarHBondContact O-N 3Å; V246-F248 VanDerWaalsContact O-N 3.08Å; V246-S249 VanDerWaalsContact O-CB 3.24Å; V246-S249 WeakPolarHBondContact O-CB 3.3Å; V246-S249 PolarHBondContact O-N 3.45Å |
| 247 | P | 75.9 | Confident | 82.6 | Confident | 18 Ų | 18 | 40.3 Ų | 40.3 | 12% | 0.117 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -34.7 | -50.1 | 174.6 | -44.4 | 42.7 | 0 | 0 | 0 | 118.6 | L69 W73 S249 A250 L251 | L69-P247 HydrophobicContact CD1-CB 3.32Å; L69-P247 HydrophobicContact CD1-CG 3.6Å; L69-P247 HydrophobicContact CD2-CB 4.13Å; L69-P247 WeakPolarHBondContact CD2-O 3.39Å; L69-P247 HydrophobicContact CG-CB 4.33Å; W73-P247 HydrophobicContact CH2-CB 4.26Å; W73-P247 HydrophobicContact CZ2-CB 3.34Å; W73-P247 HydrophobicContact CZ2-CG 3.93Å; P247-S249 VanDerWaalsContact C-N 3.26Å; P247-S249 PolarHBondContact O-N 2.94Å; P247-A250 PolarHBondContact O-N 3Å; P247-L251 PolarHBondContact O-N 3.3Å; P247-L251 VanDerWaalsContact O-N 3.12Å |
| 248 | F | 84.3 | Confident | 83.1 | Confident | 54 Ų | 54 | 37.9 Ų | 37.9 | 24% | 0.237 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.4 | -24.1 | -175.4 | -70.5 | -72.4 | 0 | 0 | 0 | 113.1 | W73 L211 N214 V246 L251 A252 Y307 | W73-F248 HydrophobicContact CH2-CE1 4.22Å; W73-F248 HydrophobicContact CH2-CZ 4.05Å; W73-F248 HydrophobicContact CZ2-CE2 4.38Å; W73-F248 HydrophobicContact CZ2-CZ 4.36Å; L211-F248 HydrophobicContact CD2-CE1 4.02Å; N214-F248 HydrophobicContact CB-CZ 4.47Å; V246-F248 VanDerWaalsContact C-N 3.3Å; V246-F248 PolarHBondContact O-N 3Å; V246-F248 VanDerWaalsContact O-N 3.08Å; F248-L251 HydrophobicContact CD1-CD2 4.18Å; F248-A252 WeakPolarHBondContact O-CB 3.5Å; F248-A252 PolarHBondContact O-N 3.02Å; F248-Y307 HydrophobicContact CB-CD1 4.31Å; F248-Y307 HydrophobicContact CB-CD2 4.37Å; F248-Y307 HydrophobicContact CB-CE1 3.91Å; F248-Y307 HydrophobicContact CB-CE2 3.97Å |
| 249 | S | 86.7 | Confident | 83.8 | Confident | 4 Ų | 4 | 34.8 Ų | 34.8 | 3% | 0.028 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66 | -47.4 | 172.9 | -177.6 | 0 | 0 | 0 | 0 | 111.1 | D244 V246 P247 L251 A252 R253 | D244-S249 WeakPolarHBondContact O-CB 3.41Å; D244-S249 PolarHBondContact O-OG 3.22Å; V246-S249 VanDerWaalsContact O-CB 3.24Å; V246-S249 WeakPolarHBondContact O-CB 3.3Å; V246-S249 PolarHBondContact O-N 3.45Å; P247-S249 VanDerWaalsContact C-N 3.26Å; P247-S249 PolarHBondContact O-N 2.94Å; S249-L251 PolarHBondContact O-N 2.86Å; S249-A252 PolarHBondContact O-N 3.21Å; S249-R253 PolarHBondContact O-N 2.93Å |
| 250 | A | 89.3 | Confident | 84.5 | Confident | 13 Ų | 13 | 26.1 Ų | 26.1 | 11% | 0.107 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.5 | -45 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | E65 P247 A252 R253 D254 | E65-A250 HydrophobicContact CG-CB 4.11Å; P247-A250 PolarHBondContact O-N 3Å; A250-A252 PolarHBondContact O-N 3.06Å; A250-R253 WeakPolarHBondContact O-CB 3.31Å; A250-R253 PolarHBondContact O-N 2.68Å; A250-D254 VanDerWaalsContact O-CG 3.25Å; A250-D254 PolarHBondContact O-N 2.98Å |
| 251 | L | 93.4 | Very high | 85 | Confident | 4 Ų | 4 | 23.2 Ų | 23.2 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.3 | -44.1 | 175.7 | -177.4 | 65.4 | 0 | 0 | 0 | 112.8 | L69 M206 L207 A210 P247 F248 S249 R253 D254 C255 | L69-L251 HydrophobicContact CD2-CB 4.24Å; M206-L251 HydrophobicContact CB-CD1 4.29Å; L207-L251 HydrophobicContact CD1-CD2 3.74Å; L207-L251 HydrophobicContact CD1-CG 4.46Å; A210-L251 HydrophobicContact CB-CD1 4.23Å; A210-L251 HydrophobicContact CB-CD2 3.6Å; P247-L251 PolarHBondContact O-N 3.3Å; P247-L251 VanDerWaalsContact O-N 3.12Å; F248-L251 HydrophobicContact CD1-CD2 4.18Å; S249-L251 PolarHBondContact O-N 2.86Å; L251-R253 VanDerWaalsContact C-N 3.33Å; L251-R253 PolarHBondContact O-N 3.2Å; L251-D254 PolarHBondContact O-N 3.23Å; L251-C255 VanDerWaalsContact O-CB 3.3Å; L251-C255 WeakPolarHBondContact O-CB 3.45Å; L251-C255 PolarHBondContact O-N 3.25Å; L251-C255 PolarHBondContact O-SG 2.95Å |
| 252 | A | 93.8 | Very high | 85.8 | Confident | 12 Ų | 12 | 21.7 Ų | 21.7 | 10% | 0.099 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.1 | -41.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F248 S249 A250 G256 V310 F311 | F248-A252 WeakPolarHBondContact O-CB 3.5Å; F248-A252 PolarHBondContact O-N 3.02Å; S249-A252 PolarHBondContact O-N 3.21Å; A250-A252 PolarHBondContact O-N 3.06Å; A252-G256 PolarHBondContact O-N 3.47Å; A252-V310 HydrophobicContact CB-CB 4.34Å; A252-V310 HydrophobicContact CB-CG1 4.1Å; A252-F311 HydrophobicContact CB-CB 4.28Å; A252-F311 WeakPolarHBondContact O-CA 3.27Å; A252-F311 WeakPolarHBondContact O-CD2 3.35Å |
| 253 | R | 93.9 | Very high | 87.3 | Confident | 12 Ų | 12 | 20.7 Ų | 20.7 | 5% | 0.045 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.6 | -49.6 | 174 | 160.7 | 168.3 | 72.2 | -135.6 | 7.6 | 112.1 | F39 E65 S249 A250 L251 G256 T257 V310 F314 | F39-R253 HydrophobicContact CE2-CG 4.32Å; F39-R253 HydrophobicContact CZ-CG 4.36Å; E65-R253 IonicContact OE1-CZ 3.54Å; E65-R253 IonicContact OE1-NH2 3.32Å; E65-R253 PolarHBondContact OE1-NH2 3.36Å; E65-R253 IonicContact OE2-CZ 2.68Å; E65-R253 VanDerWaalsContact OE2-CZ 3.26Å; E65-R253 IonicContact OE2-NE 2.91Å; E65-R253 PolarHBondContact OE2-NE 2.71Å; E65-R253 IonicContact OE2-NH2 3.75Å; E65-R253 PolarHBondContact OE2-NH2 2.96Å; S249-R253 PolarHBondContact O-N 2.93Å; A250-R253 WeakPolarHBondContact O-CB 3.31Å; A250-R253 PolarHBondContact O-N 2.68Å; L251-R253 VanDerWaalsContact C-N 3.33Å; L251-R253 PolarHBondContact O-N 3.2Å; R253-G256 PolarHBondContact O-N 2.91Å; R253-T257 WeakPolarHBondContact O-CB 3.33Å; R253-T257 PolarHBondContact O-N 2.91Å; R253-T257 PolarHBondContact O-OG1 3.01Å; R253-V310 HydrophobicContact CB-CG1 4.03Å; R253-F314 HydrophobicContact CB-CB 4.44Å; R253-F314 HydrophobicContact CB-CD1 4.41Å; R253-F314 HydrophobicContact CB-CD2 3.74Å; R253-F314 HydrophobicContact CB-CE2 4.07Å; R253-F314 HydrophobicContact CB-CG 3.93Å; R253-F314 HydrophobicContact CG-CB 4.27Å; R253-F314 HydrophobicContact CG-CD1 3.54Å; R253-F314 HydrophobicContact CG-CD2 3.75Å; R253-F314 HydrophobicContact CG-CE1 3.72Å; R253-F314 HydrophobicContact CG-CE2 3.93Å; R253-F314 HydrophobicContact CG-CG 3.57Å; R253-F314 HydrophobicContact CG-CZ 3.93Å |
| 254 | D | 95.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.9 | -49.2 | -177.3 | -66.9 | -27.4 | 0 | 0 | 0 | 111.1 | F39 A62 E65 W66 M206 A250 L251 G256 T257 L258 | F39-D254 WeakPolarHBondContact CZ-OD1 3.5Å; A62-D254 WeakPolarHBondContact CA-OD1 3.31Å; A62-D254 HydrophobicContact CB-CB 4.06Å; E65-D254 WeakPolarHBondContact CG-OD2 3.48Å; W66-D254 PolarHBondContact N-OD2 2.84Å; M206-D254 HydrophobicContact CE-CB 3.56Å; A250-D254 VanDerWaalsContact O-CG 3.25Å; A250-D254 PolarHBondContact O-N 2.98Å; L251-D254 PolarHBondContact O-N 3.23Å; D254-G256 VanDerWaalsContact C-N 3.35Å; D254-G256 PolarHBondContact O-N 3.06Å; D254-T257 PolarHBondContact O-N 2.92Å; D254-L258 WeakPolarHBondContact O-CG 3.41Å; D254-L258 PolarHBondContact O-N 2.72Å |
| 255 | C | 97.2 | Very high | 90.7 | Very high | 7 Ų | 7 | 15.1 Ų | 15.1 | 5% | 0.047 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.2 | -43.2 | 177.6 | -72.3 | 0 | 0 | 0 | 0 | 111.9 | S203 L251 L258 V259 F311 | S203-C255 PolarHBondContact O-SG 3.39Å; S203-C255 VanDerWaalsContact O-SG 3.34Å; S203-C255 PolarHBondContact OG-O 3.23Å; L251-C255 VanDerWaalsContact O-CB 3.3Å; L251-C255 WeakPolarHBondContact O-CB 3.45Å; L251-C255 PolarHBondContact O-N 3.25Å; L251-C255 PolarHBondContact O-SG 2.95Å; C255-L258 PolarHBondContact O-N 3.12Å; C255-V259 WeakPolarHBondContact O-CG2 3.28Å; C255-V259 PolarHBondContact O-N 2.93Å; C255-F311 HydrophobicContact CB-CD2 4.15Å; C255-F311 HydrophobicContact CB-CE2 3.96Å |
| 256 | G | 97.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.1 | -45.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A252 R253 D254 L258 V259 G260 F311 T315 | A252-G256 PolarHBondContact O-N 3.47Å; R253-G256 PolarHBondContact O-N 2.91Å; D254-G256 VanDerWaalsContact C-N 3.35Å; D254-G256 PolarHBondContact O-N 3.06Å; G256-L258 PolarHBondContact O-N 3.4Å; G256-V259 PolarHBondContact O-N 2.92Å; G256-G260 PolarHBondContact O-N 3.46Å; G256-F311 VanDerWaalsContact CA-CD2 3.46Å; G256-F311 VanDerWaalsContact CA-CE2 3.41Å; G256-T315 WeakPolarHBondContact CA-OG1 3.36Å; G256-T315 VanDerWaalsContact O-CA 3.27Å; G256-T315 WeakPolarHBondContact O-CA 3.49Å; G256-T315 PolarHBondContact O-OG1 3.27Å |
| 257 | T | 97.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57.6 | -46.9 | 176.2 | -61.4 | 0 | 0 | 0 | 0 | 111.7 | F39 L58 R253 D254 G260 L261 P318 | F39-T257 HydrophobicContact CD1-CG2 3.7Å; F39-T257 HydrophobicContact CE1-CG2 3.75Å; L58-T257 HydrophobicContact CB-CG2 4.16Å; L58-T257 HydrophobicContact CD1-CG2 4.13Å; L58-T257 HydrophobicContact CD2-CG2 3.72Å; L58-T257 HydrophobicContact CG-CG2 4.23Å; R253-T257 WeakPolarHBondContact O-CB 3.33Å; R253-T257 PolarHBondContact O-N 2.91Å; R253-T257 PolarHBondContact O-OG1 3.01Å; D254-T257 PolarHBondContact O-N 2.92Å; T257-G260 PolarHBondContact O-N 3.15Å; T257-L261 VanDerWaalsContact O-CB 3.3Å; T257-L261 WeakPolarHBondContact O-CB 3.2Å; T257-L261 PolarHBondContact O-N 3.22Å; T257-P318 HydrophobicContact CG2-CG 4.27Å |
| 258 | L | 97.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.9 | -42.6 | -180 | -71.4 | -176.5 | 0 | 0 | 0 | 112.1 | W59 A62 F199 S203 M206 D254 C255 G256 L261 G262 | W59-L258 HydrophobicContact CE3-CD2 3.68Å; W59-L258 HydrophobicContact CZ3-CD1 4.47Å; W59-L258 HydrophobicContact CZ3-CD2 4.02Å; A62-L258 HydrophobicContact CB-CD1 4.48Å; A62-L258 HydrophobicContact CB-CD2 4.06Å; A62-L258 HydrophobicContact CB-CG 4.04Å; F199-L258 VanDerWaalsContact CB-O 3.3Å; F199-L258 WeakPolarHBondContact CB-O 3.19Å; F199-L258 HydrophobicContact CD1-CD2 4.38Å; S203-L258 VanDerWaalsContact OG-CB 3.29Å; S203-L258 WeakPolarHBondContact OG-CB 3.48Å; M206-L258 HydrophobicContact CE-CD1 4.42Å; M206-L258 HydrophobicContact SD-CD1 3.52Å; M206-L258 VanDerWaalsContact SD-CD1 3.52Å; D254-L258 WeakPolarHBondContact O-CG 3.41Å; D254-L258 PolarHBondContact O-N 2.72Å; C255-L258 PolarHBondContact O-N 3.12Å; G256-L258 PolarHBondContact O-N 3.4Å; L258-L261 WeakPolarHBondContact O-CB 3.46Å; L258-L261 PolarHBondContact O-N 3.2Å; L258-G262 PolarHBondContact O-N 2.86Å |
| 259 | V | 97.9 | Very high | 92.1 | Very high | 24 Ų | 24 | 32.9 Ų | 32.9 | 15% | 0.145 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.7 | -45.3 | 174.8 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | V200 C255 G256 L261 G262 L263 F311 T315 | V200-V259 HydrophobicContact CG2-CG2 4.26Å; C255-V259 WeakPolarHBondContact O-CG2 3.28Å; C255-V259 PolarHBondContact O-N 2.93Å; G256-V259 PolarHBondContact O-N 2.92Å; V259-L261 VanDerWaalsContact C-N 3.3Å; V259-L261 PolarHBondContact O-N 3.4Å; V259-G262 PolarHBondContact O-N 3.5Å; V259-L263 HydrophobicContact CG1-CD1 4.1Å; V259-L263 HydrophobicContact CG1-CG 4.44Å; V259-L263 WeakPolarHBondContact O-CG 3.37Å; V259-L263 PolarHBondContact O-N 3.25Å; V259-F311 HydrophobicContact CB-CZ 4.26Å; V259-F311 HydrophobicContact CG2-CE2 4.47Å; V259-F311 HydrophobicContact CG2-CZ 4.13Å; V259-T315 HydrophobicContact CG1-CG2 4.43Å |
| 260 | G | 97.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.5 | -41.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G256 T257 L263 A264 T315 | G256-G260 PolarHBondContact O-N 3.46Å; T257-G260 PolarHBondContact O-N 3.15Å; G260-L263 PolarHBondContact O-N 3.4Å; G260-A264 VanDerWaalsContact O-CB 3.28Å; G260-A264 WeakPolarHBondContact O-CB 3.03Å; G260-A264 PolarHBondContact O-N 3.37Å; G260-T315 WeakPolarHBondContact CA-O 3.48Å |
| 261 | L | 97.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.3 | -44.1 | 175.3 | 177 | 61.4 | 0 | 0 | 0 | 111.3 | I55 L58 F199 T257 L258 V259 A264 Q265 P318 M322 | I55-L261 HydrophobicContact CG1-CD1 4.18Å; I55-L261 HydrophobicContact CG2-CD1 4.39Å; I55-L261 HydrophobicContact CG2-CD2 4.25Å; L58-L261 HydrophobicContact CB-CD2 4.32Å; L58-L261 HydrophobicContact CD1-CD1 4.18Å; F199-L261 HydrophobicContact CD1-CD2 4.29Å; F199-L261 HydrophobicContact CD1-CG 4.48Å; F199-L261 HydrophobicContact CE1-CD2 3.61Å; F199-L261 HydrophobicContact CE1-CG 3.95Å; F199-L261 HydrophobicContact CZ-CD2 4.15Å; F199-L261 HydrophobicContact CZ-CG 4.16Å; T257-L261 VanDerWaalsContact O-CB 3.3Å; T257-L261 WeakPolarHBondContact O-CB 3.2Å; T257-L261 PolarHBondContact O-N 3.22Å; L258-L261 WeakPolarHBondContact O-CB 3.46Å; L258-L261 PolarHBondContact O-N 3.2Å; V259-L261 VanDerWaalsContact C-N 3.3Å; V259-L261 PolarHBondContact O-N 3.4Å; L261-A264 PolarHBondContact O-N 3.23Å; L261-Q265 HydrophobicContact CD1-CG 4.24Å; L261-Q265 WeakPolarHBondContact O-CG 3.48Å; L261-Q265 PolarHBondContact O-N 3.42Å; L261-P318 HydrophobicContact CB-CB 4.36Å; L261-P318 HydrophobicContact CB-CG 4.31Å; L261-M322 HydrophobicContact CD1-CE 4.19Å; L261-M322 HydrophobicContact CD1-SD 3.74Å |
| 262 | G | 97 | Very high | 88.1 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.7 | -40.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L258 V259 N266 | L258-G262 PolarHBondContact O-N 2.86Å; V259-G262 PolarHBondContact O-N 3.5Å; G262-N266 WeakPolarHBondContact O-CB 3.4Å; G262-N266 PolarHBondContact O-N 3.42Å |
| 263 | L | 96.8 | Very high | 86.9 | Confident | 68 Ų | 68 | 53.4 Ų | 53.4 | 36% | 0.356 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.9 | -44.1 | 175.1 | -70.8 | 169.5 | 0 | 0 | 0 | 111.2 | L196 V259 G260 N266 W267 T315 L319 | L196-L263 HydrophobicContact CD1-CD2 3.93Å; L196-L263 HydrophobicContact CD1-CG 3.89Å; L196-L263 HydrophobicContact CD2-CD2 3.78Å; V259-L263 HydrophobicContact CG1-CD1 4.1Å; V259-L263 HydrophobicContact CG1-CG 4.44Å; V259-L263 WeakPolarHBondContact O-CG 3.37Å; V259-L263 PolarHBondContact O-N 3.25Å; G260-L263 PolarHBondContact O-N 3.4Å; L263-N266 PolarHBondContact O-N 3.36Å; L263-W267 PolarHBondContact O-N 2.77Å; L263-T315 HydrophobicContact CD1-CG2 4.09Å; L263-L319 HydrophobicContact CB-CD2 3.83Å; L263-L319 HydrophobicContact CD1-CD1 4.42Å |
| 264 | A | 95.5 | Very high | 86.2 | Confident | 6 Ų | 6 | 54.9 Ų | 54.9 | 5% | 0.05 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G260 L261 W267 P318 L319 M322 V323 | G260-A264 VanDerWaalsContact O-CB 3.28Å; G260-A264 WeakPolarHBondContact O-CB 3.03Å; G260-A264 PolarHBondContact O-N 3.37Å; L261-A264 PolarHBondContact O-N 3.23Å; A264-W267 WeakPolarHBondContact O-CB 3.35Å; A264-W267 PolarHBondContact O-N 2.89Å; A264-P318 HydrophobicContact CB-CB 4.29Å; A264-L319 HydrophobicContact CB-CD2 4.18Å; A264-M322 HydrophobicContact CB-CB 3.91Å; A264-M322 HydrophobicContact CB-CE 3.91Å; A264-M322 HydrophobicContact CB-CG 4.34Å; A264-M322 HydrophobicContact CB-SD 3.7Å; A264-V323 HydrophobicContact CB-CG2 4.09Å |
| 265 | Q | 93.3 | Very high | 85.8 | Confident | 39 Ų | 39 | 58.3 Ų | 58.3 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -71.1 | -33.2 | 177.3 | -72.1 | -169.7 | 43.2 | 0 | 0 | 113.1 | I55 P191 L261 W267 M322 | I55-Q265 HydrophobicContact CD1-CG 4.48Å; P191-Q265 PolarHBondContact O-NE2 2.94Å; P191-Q265 PolarHBondContact O-OE1 3.37Å; L261-Q265 HydrophobicContact CD1-CG 4.24Å; L261-Q265 WeakPolarHBondContact O-CG 3.48Å; L261-Q265 PolarHBondContact O-N 3.42Å; Q265-W267 PolarHBondContact O-N 3.48Å; Q265-M322 HydrophobicContact CG-CE 3.89Å |
| 266 | N | 91.7 | Very high | 85.3 | Confident | 84 Ų | 84 | 64.6 Ų | 64.6 | 45% | 0.449 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -72.3 | -15.3 | 175.6 | -93.8 | 19.1 | 0 | 0 | 0 | 113.2 | L196 G262 L263 K268 | L196-N266 WeakPolarHBondContact CB-ND2 3.39Å; L196-N266 PolarHBondContact N-ND2 3.14Å; L196-N266 PolarHBondContact N-OD1 3.44Å; L196-N266 VanDerWaalsContact N-OD1 3.16Å; G262-N266 WeakPolarHBondContact O-CB 3.4Å; G262-N266 PolarHBondContact O-N 3.42Å; L263-N266 PolarHBondContact O-N 3.36Å; N266-K268 PolarHBondContact O-N 3.36Å |
| 267 | W | 88.4 | Confident | 85 | Confident | 155 Ų | 155 | 71 Ų | 71 | 59% | 0.587 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -71.4 | 111 | 176.8 | -172.8 | -83.8 | 0 | 0 | 0 | 110.1 | L263 A264 Q265 Q269 V323 | L263-W267 PolarHBondContact O-N 2.77Å; A264-W267 WeakPolarHBondContact O-CB 3.35Å; A264-W267 PolarHBondContact O-N 2.89Å; Q265-W267 PolarHBondContact O-N 3.48Å; W267-Q269 PolarHBondContact O-N 3.24Å; W267-V323 HydrophobicContact CB-CG2 3.9Å; W267-V323 HydrophobicContact CD2-CG1 3.82Å; W267-V323 HydrophobicContact CG-CG1 3.76Å; W267-V323 HydrophobicContact CG-CG2 4.01Å |
| 268 | K | 68.7 | Low | 84.7 | Confident | 199 Ų | 199 | 71.9 Ų | 71.9 | 87% | 0.865 | 38% | 0.384 | S | S | * | . | trans | -68.5 | 99.5 | 174.9 | -68.5 | -176.8 | 179.3 | -178.2 | 0 | 109.4 | N266 | N266-K268 PolarHBondContact O-N 3.36Š| ||
| 269 | Q | 66.8 | Low | 84.4 | Confident | 63 Ų | 63 | 75.4 Ų | 75.4 | 29% | 0.294 | 40% | 0.397 | S | S | . | . | trans | -84.2 | 136.1 | 158.9 | -88.9 | 167.2 | 24.3 | 0 | 0 | 108.6 | W267 A271 M322 | W267-Q269 PolarHBondContact O-N 3.24Å; Q269-A271 PolarHBondContact O-N 3.35Å; Q269-M322 PolarHBondContact NE2-O 3.07Å | ||
| 270 | D | 60.6 | Low | 84.2 | Confident | 142 Ų | 142 | 77.1 Ų | 77.1 | 76% | 0.759 | 41% | 0.414 | S | S | * | . | trans | -54.5 | 135.3 | 165.1 | -69.1 | -38.7 | 0 | 0 | 0 | 108.5 | W272 | D270-W272 PolarHBondContact O-N 3.32Š| ||
| 271 | A | 58.5 | Low | 84.1 | Confident | 111 Ų | 111 | 81 Ų | 81 | 92% | 0.917 | 43% | 0.434 | S | S | * | . | trans | -69.2 | 79.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q269 | Q269-A271 PolarHBondContact O-N 3.35Š| ||
| 272 | W | 68.1 | Low | 83.9 | Confident | 81 Ų | 81 | 81 Ų | 81 | 31% | 0.307 | 43% | 0.434 | S | S | . | . | trans | -89 | 148.7 | 166.6 | 60.3 | 31.7 | 0 | 0 | 0 | 110.3 | D270 P274 H330 | D270-W272 PolarHBondContact O-N 3.32Å; W272-P274 WeakPolarHBondContact O-CD 3.36Å; W272-H330 AromaticContact CE3-CE1 3.4Å; W272-H330 AromaticContact CE3-CG 3.79Å; W272-H330 AromaticContact CE3-ND1 3.31Å; W272-H330 VanDerWaalsContact CE3-ND1 3.31Å; W272-H330 AromaticContact CE3-NE2 3.93Å; W272-H330 HydrophobicContact CH2-CB 3.09Å; W272-H330 AromaticContact CH2-CD2 3.6Å; W272-H330 AromaticContact CH2-CG 3.1Å; W272-H330 AromaticContact CH2-ND1 3.53Å; W272-H330 HydrophobicContact CZ2-CB 3.68Å; W272-H330 AromaticContact CZ2-CG 3.99Å; W272-H330 HydrophobicContact CZ3-CB 3.62Å; W272-H330 AromaticContact CZ3-CD2 3.2Å; W272-H330 WeakPolarHBondContact CZ3-CD2 3.5Å; W272-H330 AromaticContact CZ3-CE1 3.25Å; W272-H330 WeakPolarHBondContact CZ3-CE1 3.35Å; W272-H330 AromaticContact CZ3-CG 2.99Å; W272-H330 AromaticContact CZ3-ND1 3.05Å; W272-H330 WeakPolarHBondContact CZ3-ND1 3.34Å; W272-H330 AromaticContact CZ3-NE2 3.37Å; W272-H330 WeakPolarHBondContact CZ3-NE2 3.48Å | ||
| 273 | C | 67.6 | Low | 83.8 | Confident | 131 Ų | 131 | 82.9 Ų | 82.9 | 89% | 0.885 | 44% | 0.444 | S | S | * | . | trans | -94.4 | 98.3 | 167.3 | -76.1 | 0 | 0 | 0 | 0 | 107.8 | S275 | C273-S275 PolarHBondContact O-N 3.45Š| ||
| 274 | P | 78.7 | Confident | 83.8 | Confident | 42 Ų | 42 | 81.9 Ų | 81.9 | 27% | 0.273 | 45% | 0.446 | S | S | . | . | trans | -69.5 | 133.2 | -176.3 | 27.1 | -31.3 | 0 | 0 | 0 | 109.9 | W272 H278 R279 | W272-P274 WeakPolarHBondContact O-CD 3.36Å; P274-H278 HydrophobicContact CB-CB 4.09Å; P274-H278 WeakPolarHBondContact CB-CD2 3.31Å; P274-R279 HydrophobicContact CB-CG 4.23Å; P274-R279 HydrophobicContact CG-CG 4.17Å; P274-R279 PolarHBondContact O-NE 3.22Å | ||
| 275 | S | 87.9 | Confident | 83.8 | Confident | 72 Ų | 72 | 83.8 Ų | 83.8 | 50% | 0.503 | 46% | 0.457 | S | S | . | . | trans | -63.6 | 163 | 173.5 | 68.7 | 0 | 0 | 0 | 0 | 111.4 | C273 N277 H278 R279 | C273-S275 PolarHBondContact O-N 3.45Å; S275-N277 PolarHBondContact O-N 2.81Å; S275-H278 WeakPolarHBondContact O-CB 3.3Å; S275-H278 PolarHBondContact O-N 3.36Å; S275-H278 VanDerWaalsContact O-N 3.07Å; S275-H278 PolarHBondContact OG-N 2.91Å; S275-R279 PolarHBondContact O-N 2.93Å | ||
| 276 | M | 87.9 | Confident | 83.9 | Confident | 139 Ų | 139 | 81.9 Ų | 81.9 | 69% | 0.685 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -56.7 | -38.3 | 176.3 | -71.9 | -54.8 | -59.2 | 0 | 0 | 112.6 | R279 A280 | M276-R279 PolarHBondContact O-N 2.84Å; M276-A280 WeakPolarHBondContact O-CB 3.32Å; M276-A280 PolarHBondContact O-N 3.49Å |
| 277 | N | 90.3 | Very high | 84 | Confident | 135 Ų | 135 | 80.7 Ų | 80.7 | 72% | 0.722 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -65.1 | -40.1 | 176.8 | -65 | -4.1 | 0 | 0 | 0 | 111.7 | S275 A280 L281 | S275-N277 PolarHBondContact O-N 2.81Å; N277-A280 PolarHBondContact O-N 3.25Å; N277-L281 WeakPolarHBondContact O-CB 3.38Å; N277-L281 PolarHBondContact O-N 3.36Å |
| 278 | H | 90.9 | Very high | 84.3 | Confident | 19 Ų | 19 | 78.3 Ų | 78.3 | 9% | 0.088 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 176.1 | -177.6 | 95.8 | 0 | 0 | 0 | 111.3 | P274 S275 S282 P326 V329 | P274-H278 HydrophobicContact CB-CB 4.09Å; P274-H278 WeakPolarHBondContact CB-CD2 3.31Å; S275-H278 WeakPolarHBondContact O-CB 3.3Å; S275-H278 PolarHBondContact O-N 3.36Å; S275-H278 VanDerWaalsContact O-N 3.07Å; S275-H278 PolarHBondContact OG-N 2.91Å; H278-S282 VanDerWaalsContact O-CB 3.28Å; H278-S282 WeakPolarHBondContact O-CB 3.23Å; H278-S282 PolarHBondContact O-N 3.3Å; H278-S282 PolarHBondContact O-OG 3.05Å; H278-P326 PolarHBondContact CE1-O 2.66Å; H278-P326 VanDerWaalsContact CE1-O 3.31Å; H278-V329 WeakPolarHBondContact ND1-CG1 3.13Å |
| 279 | R | 91.7 | Very high | 85.4 | Confident | 73 Ų | 73 | 69.8 Ų | 69.8 | 28% | 0.275 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 176.3 | -67.2 | 172.1 | 176 | -141.1 | 3.6 | 111.9 | F48 V49 P274 S275 M276 S282 L283 | F48-R279 HydrophobicContact CB-CB 4.48Å; F48-R279 WeakPolarHBondContact O-CD 3.42Å; F48-R279 PolarHBondContact O-NH1 3.3Å; V49-R279 PolarHBondContact O-NH1 3.5Å; V49-R279 VanDerWaalsContact O-NH1 3.1Å; P274-R279 HydrophobicContact CB-CG 4.23Å; P274-R279 HydrophobicContact CG-CG 4.17Å; P274-R279 PolarHBondContact O-NE 3.22Å; S275-R279 PolarHBondContact O-N 2.93Å; M276-R279 PolarHBondContact O-N 2.84Å; R279-S282 PolarHBondContact O-N 3.12Å; R279-L283 WeakPolarHBondContact O-CB 3.42Å; R279-L283 PolarHBondContact O-N 3.47Å |
| 280 | A | 93.5 | Very high | 86.7 | Confident | 60 Ų | 60 | 67 Ų | 67 | 50% | 0.496 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | M276 N277 L283 A284 | M276-A280 WeakPolarHBondContact O-CB 3.32Å; M276-A280 PolarHBondContact O-N 3.49Å; N277-A280 PolarHBondContact O-N 3.25Å; A280-L283 WeakPolarHBondContact O-CB 3.23Å; A280-L283 PolarHBondContact O-N 3.32Å; A280-A284 PolarHBondContact O-N 2.85Å |
| 281 | L | 94.2 | Very high | 88.3 | Confident | 82 Ų | 82 | 67.9 Ų | 67.9 | 43% | 0.429 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.1 | -38.6 | 176.8 | -174.6 | 56.8 | 0 | 0 | 0 | 111.6 | N277 L283 A284 V285 V329 T333 | N277-L281 WeakPolarHBondContact O-CB 3.38Å; N277-L281 PolarHBondContact O-N 3.36Å; L281-L283 VanDerWaalsContact C-N 3.32Å; L281-L283 PolarHBondContact O-N 2.92Å; L281-A284 PolarHBondContact O-N 3.5Å; L281-V285 WeakPolarHBondContact O-CG2 3.5Å; L281-V285 PolarHBondContact O-N 3.26Å; L281-V329 HydrophobicContact CB-CG1 4.06Å; L281-V329 HydrophobicContact CB-CG2 4.33Å; L281-V329 HydrophobicContact CD2-CG1 3.67Å; L281-V329 HydrophobicContact CD2-CG2 4.25Å; L281-V329 HydrophobicContact CG-CG1 3.91Å; L281-V329 HydrophobicContact CG-CG2 3.8Å; L281-T333 HydrophobicContact CD2-CG2 4.48Å |
| 282 | S | 94.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.9 | -38.3 | 175.1 | -59.6 | 0 | 0 | 0 | 0 | 111.8 | H278 R279 S286 S325 | H278-S282 VanDerWaalsContact O-CB 3.28Å; H278-S282 WeakPolarHBondContact O-CB 3.23Å; H278-S282 PolarHBondContact O-N 3.3Å; H278-S282 PolarHBondContact O-OG 3.05Å; R279-S282 PolarHBondContact O-N 3.12Å; S282-S286 VanDerWaalsContact O-CB 3.29Å; S282-S286 WeakPolarHBondContact O-CB 3.5Å; S282-S286 PolarHBondContact O-N 3.37Å; S282-S286 PolarHBondContact O-OG 3.3Å; S282-S325 WeakPolarHBondContact O-CB 3.43Å |
| 283 | L | 95.6 | Very high | 90.9 | Very high | 40 Ų | 40 | 64.6 Ų | 64.6 | 21% | 0.209 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.7 | -46.9 | 171.7 | 174.2 | 65.6 | 0 | 0 | 0 | 111.2 | P44 L45 F48 R279 A280 L281 V285 S286 S287 | P44-L283 HydrophobicContact CB-CD1 3.8Å; L45-L283 HydrophobicContact CD2-CD1 4.06Å; L45-L283 HydrophobicContact CD2-CD2 3.76Å; F48-L283 HydrophobicContact CB-CB 4.44Å; F48-L283 HydrophobicContact CD2-CB 3.54Å; F48-L283 HydrophobicContact CD2-CD1 3.78Å; F48-L283 HydrophobicContact CD2-CG 4.23Å; F48-L283 VanDerWaalsContact CE2-CA 3.48Å; F48-L283 HydrophobicContact CE2-CB 4.03Å; F48-L283 HydrophobicContact CE2-CD1 4.3Å; F48-L283 HydrophobicContact CG-CB 4.09Å; R279-L283 WeakPolarHBondContact O-CB 3.42Å; R279-L283 PolarHBondContact O-N 3.47Å; A280-L283 WeakPolarHBondContact O-CB 3.23Å; A280-L283 PolarHBondContact O-N 3.32Å; L281-L283 VanDerWaalsContact C-N 3.32Å; L281-L283 PolarHBondContact O-N 2.92Å; L283-V285 PolarHBondContact O-N 3.49Å; L283-S286 WeakPolarHBondContact O-CB 3.27Å; L283-S286 PolarHBondContact O-N 3.44Å; L283-S287 PolarHBondContact O-N 2.92Å; L283-S287 PolarHBondContact O-OG 3.23Å; L283-S287 VanDerWaalsContact O-OG 3.07Å |
| 284 | A | 95.2 | Very high | 91.8 | Very high | 47 Ų | 47 | 63.5 Ų | 63.5 | 39% | 0.388 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.1 | -46.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | A280 L281 S286 S287 I288 | A280-A284 PolarHBondContact O-N 2.85Å; L281-A284 PolarHBondContact O-N 3.5Å; A284-S286 VanDerWaalsContact C-N 3.33Å; A284-S286 PolarHBondContact O-N 2.86Å; A284-S287 PolarHBondContact O-N 2.9Å; A284-I288 WeakPolarHBondContact O-CG1 3.32Å; A284-I288 PolarHBondContact O-N 3.35Å; A284-I288 VanDerWaalsContact O-N 3.12Å |
| 285 | V | 95.4 | Very high | 92.2 | Very high | 45 Ų | 45 | 64.4 Ų | 64.4 | 27% | 0.273 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63 | -40.2 | 175.8 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | L281 L283 I288 G289 L328 V329 | L281-V285 WeakPolarHBondContact O-CG2 3.5Å; L281-V285 PolarHBondContact O-N 3.26Å; L283-V285 PolarHBondContact O-N 3.49Å; V285-I288 PolarHBondContact O-N 3.14Å; V285-G289 PolarHBondContact O-N 3.34Å; V285-L328 HydrophobicContact CG1-CD1 4.43Å; V285-V329 HydrophobicContact CB-CG2 4.49Å; V285-V329 HydrophobicContact CG2-CG2 3.93Å |
| 286 | S | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.7 | -47.4 | 176.2 | -60.9 | 0 | 0 | 0 | 0 | 111.2 | F48 S282 L283 A284 I288 G289 L290 S325 | F48-S286 VanDerWaalsContact CE2-OG 3.27Å; F48-S286 WeakPolarHBondContact CE2-OG 3.26Å; F48-S286 WeakPolarHBondContact CZ-OG 3.41Å; S282-S286 VanDerWaalsContact O-CB 3.29Å; S282-S286 WeakPolarHBondContact O-CB 3.5Å; S282-S286 PolarHBondContact O-N 3.37Å; S282-S286 PolarHBondContact O-OG 3.3Å; L283-S286 WeakPolarHBondContact O-CB 3.27Å; L283-S286 PolarHBondContact O-N 3.44Å; A284-S286 VanDerWaalsContact C-N 3.33Å; A284-S286 PolarHBondContact O-N 2.86Å; S286-I288 VanDerWaalsContact C-N 3.31Å; S286-I288 PolarHBondContact O-N 3.31Å; S286-G289 PolarHBondContact O-N 3.44Å; S286-G289 VanDerWaalsContact O-N 3.17Å; S286-L290 WeakPolarHBondContact O-CB 3.33Å; S286-L290 VanDerWaalsContact O-CG 3.24Å; S286-L290 WeakPolarHBondContact O-CG 3.43Å; S286-L290 PolarHBondContact O-N 3.38Å; S286-S325 VanDerWaalsContact CA-OG 3.32Å; S286-S325 WeakPolarHBondContact CA-OG 3.33Å; S286-S325 PolarHBondContact N-OG 3.21Å; S286-S325 WeakPolarHBondContact OG-CB 3.45Å; S286-S325 PolarHBondContact OG-OG 3.33Å; S286-S325 VanDerWaalsContact OG-OG 3.08Å |
| 287 | S | 94.2 | Very high | 91.5 | Very high | 58 Ų | 58 | 65.2 Ų | 65.2 | 41% | 0.406 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.3 | -41.7 | 179 | -62.6 | 0 | 0 | 0 | 0 | 112 | L283 A284 Y291 | L283-S287 PolarHBondContact O-N 2.92Å; L283-S287 PolarHBondContact O-OG 3.23Å; L283-S287 VanDerWaalsContact O-OG 3.07Å; A284-S287 PolarHBondContact O-N 2.9Å; S287-Y291 WeakPolarHBondContact O-CB 3.39Å; S287-Y291 PolarHBondContact O-N 3.39Å |
| 288 | I | 94.4 | Very high | 90.7 | Very high | 106 Ų | 106 | 61.7 Ų | 61.7 | 54% | 0.544 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.3 | -48.5 | 174.8 | -64.3 | 166.4 | 0 | 0 | 0 | 110.3 | A284 V285 S286 L290 Y291 L292 | A284-I288 WeakPolarHBondContact O-CG1 3.32Å; A284-I288 PolarHBondContact O-N 3.35Å; A284-I288 VanDerWaalsContact O-N 3.12Å; V285-I288 PolarHBondContact O-N 3.14Å; S286-I288 VanDerWaalsContact C-N 3.31Å; S286-I288 PolarHBondContact O-N 3.31Å; I288-L290 VanDerWaalsContact C-N 3.34Å; I288-L290 PolarHBondContact O-N 3.4Å; I288-Y291 PolarHBondContact O-N 2.99Å; I288-L292 HydrophobicContact CG2-CD1 4.13Å; I288-L292 HydrophobicContact CG2-CG 4.47Å; I288-L292 WeakPolarHBondContact O-CG 3.48Å; I288-L292 PolarHBondContact O-N 2.9Å |
| 289 | G | 93.2 | Very high | 89.7 | Confident | 19 Ų | 19 | 63.5 Ų | 63.5 | 20% | 0.196 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V285 S286 L292 V293 | V285-G289 PolarHBondContact O-N 3.34Å; S286-G289 PolarHBondContact O-N 3.44Å; S286-G289 VanDerWaalsContact O-N 3.17Å; G289-L292 PolarHBondContact O-N 3.43Å; G289-V293 WeakPolarHBondContact O-CG2 3.4Å; G289-V293 PolarHBondContact O-N 2.93Å |
| 290 | L | 94.2 | Very high | 88.4 | Confident | 6 Ų | 6 | 67.6 Ų | 67.6 | 3% | 0.031 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.7 | -39.7 | 176.8 | -67.9 | 178 | 0 | 0 | 0 | 112.1 | L40 P44 S286 I288 V293 Y294 V317 I320 V321 | L40-L290 HydrophobicContact CD2-CD2 4.35Å; L40-L290 WeakPolarHBondContact O-CD1 3.43Å; P44-L290 HydrophobicContact CB-CD1 4.46Å; P44-L290 HydrophobicContact CG-CD1 3.39Å; S286-L290 WeakPolarHBondContact O-CB 3.33Å; S286-L290 VanDerWaalsContact O-CG 3.24Å; S286-L290 WeakPolarHBondContact O-CG 3.43Å; S286-L290 PolarHBondContact O-N 3.38Å; I288-L290 VanDerWaalsContact C-N 3.34Å; I288-L290 PolarHBondContact O-N 3.4Å; L290-V293 PolarHBondContact O-N 3.03Å; L290-Y294 WeakPolarHBondContact O-CB 3.34Å; L290-Y294 PolarHBondContact O-N 2.95Å; L290-V317 HydrophobicContact CD2-CB 4.02Å; L290-V317 HydrophobicContact CD2-CG1 3.82Å; L290-V317 HydrophobicContact CD2-CG2 3.84Å; L290-I320 HydrophobicContact CD2-CB 4.44Å; L290-I320 HydrophobicContact CD2-CD1 4.41Å; L290-I320 HydrophobicContact CD2-CG2 4.38Å; L290-I320 HydrophobicContact CG-CG2 4.42Å; L290-V321 HydrophobicContact CD1-CG2 3.82Å; L290-V321 HydrophobicContact CD2-CG2 4.4Å; L290-V321 HydrophobicContact CG-CG2 4.36Å |
| 291 | Y | 93 | Very high | 87 | Confident | 159 Ų | 159 | 74.2 Ų | 74.2 | 62% | 0.624 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -61.4 | -44 | 173.7 | 174 | -99.1 | 0 | 0 | 0 | 112 | S287 I288 Y294 S295 | S287-Y291 WeakPolarHBondContact O-CB 3.39Å; S287-Y291 PolarHBondContact O-N 3.39Å; I288-Y291 PolarHBondContact O-N 2.99Å; Y291-Y294 PolarHBondContact O-N 3.25Å; Y291-S295 WeakPolarHBondContact O-CB 3.41Å; Y291-S295 PolarHBondContact O-N 3.37Å; Y291-S295 PolarHBondContact O-OG 3.43Å |
| 292 | L | 92.1 | Very high | 86.3 | Confident | 105 Ų | 105 | 73.2 Ų | 73.2 | 55% | 0.55 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 177.1 | -69.7 | 173.1 | 0 | 0 | 0 | 111.4 | I288 G289 Y294 S295 L296 | I288-L292 HydrophobicContact CG2-CD1 4.13Å; I288-L292 HydrophobicContact CG2-CG 4.47Å; I288-L292 WeakPolarHBondContact O-CG 3.48Å; I288-L292 PolarHBondContact O-N 2.9Å; G289-L292 PolarHBondContact O-N 3.43Å; L292-Y294 VanDerWaalsContact C-N 3.32Å; L292-Y294 PolarHBondContact O-N 2.81Å; L292-S295 PolarHBondContact O-N 3.17Å; L292-L296 PolarHBondContact O-N 2.99Å |
| 293 | V | 89.3 | Confident | 85.7 | Confident | 18 Ų | 18 | 79.7 Ų | 79.7 | 11% | 0.109 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 176.2 | 169.5 | 0 | 0 | 0 | 0 | 111.1 | G289 L290 S295 L296 K313 I320 | G289-V293 WeakPolarHBondContact O-CG2 3.4Å; G289-V293 PolarHBondContact O-N 2.93Å; L290-V293 PolarHBondContact O-N 3.03Å; V293-S295 VanDerWaalsContact C-N 3.31Å; V293-S295 PolarHBondContact O-N 2.88Å; V293-L296 PolarHBondContact O-N 3.05Å; V293-K313 HydrophobicContact CG1-CD 4.42Å; V293-K313 HydrophobicContact CG1-CG 3.48Å; V293-K313 VanDerWaalsContact CG1-CG 3.48Å; V293-K313 WeakPolarHBondContact O-CE 3.24Å; V293-K313 PolarHBondContact O-NZ 2.84Å; V293-K313 VanDerWaalsContact O-NZ 3.14Å; V293-I320 HydrophobicContact CB-CD1 4.46Å; V293-I320 HydrophobicContact CG2-CD1 3.55Å |
| 294 | Y | 86.9 | Confident | 85.1 | Confident | 108 Ų | 108 | 79.9 Ų | 79.9 | 42% | 0.424 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.8 | -38.9 | 177.2 | -175.6 | -101.6 | 0 | 0 | 0 | 112.3 | L40 L290 Y291 L292 L296 K313 | L40-Y294 HydrophobicContact CD1-CD2 3.58Å; L40-Y294 HydrophobicContact CD1-CE2 4.05Å; L40-Y294 HydrophobicContact CD1-CG 4.3Å; L290-Y294 WeakPolarHBondContact O-CB 3.34Å; L290-Y294 PolarHBondContact O-N 2.95Å; Y291-Y294 PolarHBondContact O-N 3.25Å; L292-Y294 VanDerWaalsContact C-N 3.32Å; L292-Y294 PolarHBondContact O-N 2.81Å; Y294-L296 VanDerWaalsContact C-N 3.27Å; Y294-L296 PolarHBondContact O-N 3.42Å; Y294-K313 VanDerWaalsContact CA-CE 3.48Å; Y294-K313 PolarHBondContact O-NZ 2.9Å |
| 295 | S | 86.2 | Confident | 84.6 | Confident | 61 Ų | 61 | 81.3 Ų | 81.3 | 43% | 0.427 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -74.9 | -11.4 | -177.5 | -57.1 | 0 | 0 | 0 | 0 | 114.3 | Y291 L292 V293 P297 | Y291-S295 WeakPolarHBondContact O-CB 3.41Å; Y291-S295 PolarHBondContact O-N 3.37Å; Y291-S295 PolarHBondContact O-OG 3.43Å; L292-S295 PolarHBondContact O-N 3.17Å; V293-S295 VanDerWaalsContact C-N 3.31Å; V293-S295 PolarHBondContact O-N 2.88Å; S295-P297 WeakPolarHBondContact O-CD 3.35Å |
| 296 | L | 84 | Confident | 84.2 | Confident | 111 Ų | 111 | 80.8 Ų | 80.8 | 58% | 0.581 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 122.6 | 176.8 | -69.1 | 172.7 | 0 | 0 | 0 | 110.4 | L292 V293 Y294 | L292-L296 PolarHBondContact O-N 2.99Å; V293-L296 PolarHBondContact O-N 3.05Å; Y294-L296 VanDerWaalsContact C-N 3.27Å; Y294-L296 PolarHBondContact O-N 3.42Å |
| 297 | P | 77.7 | Confident | 83.9 | Confident | 117 Ų | 117 | 83.2 Ų | 83.2 | 76% | 0.76 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -69.8 | 149.6 | 178.8 | 29.3 | -34.2 | 0 | 0 | 0 | 110.8 | S295 | S295-P297 WeakPolarHBondContact O-CD 3.35Š|
| 298 | F | 74.3 | Confident | 83.7 | Confident | 62 Ų | 62 | 84.2 Ų | 84.2 | 27% | 0.272 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -88.7 | 136.9 | 171.4 | -65.4 | -74.5 | 0 | 0 | 0 | 110.2 | D300 F306 L309 V310 K313 | F298-D300 PolarHBondContact O-N 2.95Å; F298-F306 HydrophobicContact CB-CD2 3.81Å; F298-F306 HydrophobicContact CB-CE2 4Å; F298-F306 HydrophobicContact CD1-CD2 4.19Å; F298-F306 HydrophobicContact CD1-CE2 4.28Å; F298-F306 HydrophobicContact CD2-CD2 4.32Å; F298-F306 AromaticContact CD2-CE2 3.73Å; F298-F306 HydrophobicContact CD2-CE2 3.73Å; F298-F306 HydrophobicContact CE2-CE2 4.21Å; F298-F306 AromaticContact CG-CD2 3.87Å; F298-F306 HydrophobicContact CG-CD2 3.87Å; F298-F306 AromaticContact CG-CE2 3.75Å; F298-F306 HydrophobicContact CG-CE2 3.75Å; F298-L309 HydrophobicContact CD1-CB 3.82Å; F298-L309 HydrophobicContact CD1-CD1 4.41Å; F298-L309 HydrophobicContact CE1-CB 3.9Å; F298-V310 HydrophobicContact CE1-CG2 3.8Å; F298-V310 HydrophobicContact CE2-CG2 4.48Å; F298-V310 HydrophobicContact CZ-CG2 3.71Å; F298-K313 HydrophobicContact CE1-CD 4.11Å; F298-K313 HydrophobicContact CE2-CD 4.5Å; F298-K313 HydrophobicContact CZ-CD 3.59Å |
| 299 | P | 69.9 | Low | 83.6 | Confident | 56 Ų | 56 | 81.9 Ų | 81.9 | 36% | 0.364 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 120.3 | 172.9 | 27 | -30.7 | 0 | 0 | 0 | 111.1 | K301 L305 L309 | P299-K301 PolarHBondContact O-N 3.37Å; P299-L305 HydrophobicContact CB-CD2 4.42Å; P299-L305 HydrophobicContact CG-CD2 3.78Å; P299-L305 HydrophobicContact CG-CG 4.29Å; P299-L309 HydrophobicContact CG-CD1 3.38Å |
| 300 | D | 62.6 | Low | 83.5 | Confident | 160 Ų | 160 | 81.2 Ų | 81.2 | 86% | 0.856 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | 15.1 | -173.9 | -70.8 | -40.1 | 0 | 0 | 0 | 116 | F298 | F298-D300 PolarHBondContact O-N 2.95Š|
| 301 | K | 65 | Low | 83.5 | Confident | 199 Ų | 199 | 84.2 Ų | 84.2 | 87% | 0.865 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -25.4 | -167 | -66.2 | -169.2 | 178.2 | -175.5 | 0 | 115.1 | P299 | P299-K301 PolarHBondContact O-N 3.37Š|
| 302 | S | 79.8 | Confident | 83.6 | Confident | 61 Ų | 61 | 80.2 Ų | 80.2 | 43% | 0.427 | 43% | 0.433 | S | S | . | . | trans | -154.9 | 140.4 | 175.9 | 69.4 | 0 | 0 | 0 | 0 | 113.8 | G304 L305 F306 | S302-G304 PolarHBondContact O-N 3.4Å; S302-L305 PolarHBondContact O-N 2.69Å; S302-L305 WeakPolarHBondContact OG-CB 3.29Å; S302-L305 PolarHBondContact OG-N 3.17Å; S302-F306 PolarHBondContact O-N 3.34Å | ||
| 303 | Q | 80.6 | Confident | 83.7 | Confident | 135 Ų | 135 | 76.2 Ų | 76.2 | 63% | 0.631 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -62.8 | -39.2 | -179.2 | -68.1 | -179.5 | -15.2 | 0 | 0 | 112.8 | F306 Y307 | Q303-F306 WeakPolarHBondContact O-CB 3.49Å; Q303-F306 PolarHBondContact O-N 2.74Å; Q303-Y307 HydrophobicContact CB-CE2 4.36Å; Q303-Y307 WeakPolarHBondContact O-CD2 3.41Å; Q303-Y307 PolarHBondContact O-N 3.05Å; Q303-Y307 VanDerWaalsContact O-N 3.08Å |
| 304 | G | 83.3 | Confident | 83.9 | Confident | 45 Ų | 45 | 75.7 Ų | 75.7 | 46% | 0.464 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S302 F306 Y307 C308 | S302-G304 PolarHBondContact O-N 3.4Å; G304-F306 VanDerWaalsContact C-N 3.3Å; G304-F306 PolarHBondContact O-N 2.94Å; G304-Y307 PolarHBondContact O-N 3.23Å; G304-C308 PolarHBondContact O-N 2.8Å; G304-C308 PolarHBondContact O-SG 3.37Å; G304-C308 VanDerWaalsContact O-SG 3.32Å |
| 305 | L | 85.8 | Confident | 84.4 | Confident | 77 Ų | 77 | 71.4 Ų | 71.4 | 40% | 0.403 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.5 | -39.9 | 175.2 | -178.2 | 63.9 | 0 | 0 | 0 | 111.5 | P299 S302 C308 L309 | P299-L305 HydrophobicContact CB-CD2 4.42Å; P299-L305 HydrophobicContact CG-CD2 3.78Å; P299-L305 HydrophobicContact CG-CG 4.29Å; S302-L305 PolarHBondContact O-N 2.69Å; S302-L305 WeakPolarHBondContact OG-CB 3.29Å; S302-L305 PolarHBondContact OG-N 3.17Å; L305-C308 PolarHBondContact O-N 3.39Å; L305-L309 HydrophobicContact CD1-CD1 4.18Å; L305-L309 HydrophobicContact CD1-CG 4.22Å; L305-L309 HydrophobicContact CG-CD1 3.91Å; L305-L309 HydrophobicContact CG-CG 4.36Å; L305-L309 WeakPolarHBondContact O-CB 3.49Å; L305-L309 VanDerWaalsContact O-CG 3.25Å; L305-L309 WeakPolarHBondContact O-CG 3.42Å; L305-L309 PolarHBondContact O-N 2.98Å |
| 306 | F | 87.2 | Confident | 84.9 | Confident | 33 Ų | 33 | 71.8 Ų | 71.8 | 15% | 0.145 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -57 | -52.2 | 175.2 | 175.5 | -94.8 | 0 | 0 | 0 | 111.5 | F298 S302 Q303 G304 C308 L309 V310 | F298-F306 HydrophobicContact CB-CD2 3.81Å; F298-F306 HydrophobicContact CB-CE2 4Å; F298-F306 HydrophobicContact CD1-CD2 4.19Å; F298-F306 HydrophobicContact CD1-CE2 4.28Å; F298-F306 HydrophobicContact CD2-CD2 4.32Å; F298-F306 AromaticContact CD2-CE2 3.73Å; F298-F306 HydrophobicContact CD2-CE2 3.73Å; F298-F306 HydrophobicContact CE2-CE2 4.21Å; F298-F306 AromaticContact CG-CD2 3.87Å; F298-F306 HydrophobicContact CG-CD2 3.87Å; F298-F306 AromaticContact CG-CE2 3.75Å; F298-F306 HydrophobicContact CG-CE2 3.75Å; S302-F306 PolarHBondContact O-N 3.34Å; Q303-F306 WeakPolarHBondContact O-CB 3.49Å; Q303-F306 PolarHBondContact O-N 2.74Å; G304-F306 VanDerWaalsContact C-N 3.3Å; G304-F306 PolarHBondContact O-N 2.94Å; F306-C308 PolarHBondContact O-N 2.97Å; F306-L309 PolarHBondContact O-N 2.71Å; F306-V310 HydrophobicContact CD1-CG2 4.31Å; F306-V310 HydrophobicContact CE1-CG2 3.9Å; F306-V310 HydrophobicContact CE2-CG2 4.34Å; F306-V310 HydrophobicContact CZ-CG2 3.92Å; F306-V310 WeakPolarHBondContact O-CG2 3.5Å; F306-V310 PolarHBondContact O-N 3.1Å |
| 307 | Y | 89 | Confident | 85.5 | Confident | 51 Ų | 51 | 66.6 Ų | 66.6 | 20% | 0.2 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.1 | -39.3 | 178.8 | -58.5 | -42.9 | 0 | 0 | 0 | 112.8 | F248 Q303 G304 L309 V310 F311 | F248-Y307 HydrophobicContact CB-CD1 4.31Å; F248-Y307 HydrophobicContact CB-CD2 4.37Å; F248-Y307 HydrophobicContact CB-CE1 3.91Å; F248-Y307 HydrophobicContact CB-CE2 3.97Å; Q303-Y307 HydrophobicContact CB-CE2 4.36Å; Q303-Y307 WeakPolarHBondContact O-CD2 3.41Å; Q303-Y307 PolarHBondContact O-N 3.05Å; Q303-Y307 VanDerWaalsContact O-N 3.08Å; G304-Y307 PolarHBondContact O-N 3.23Å; Y307-L309 VanDerWaalsContact C-N 3.33Å; Y307-L309 PolarHBondContact O-N 3.13Å; Y307-V310 PolarHBondContact O-N 3.35Å; Y307-F311 WeakPolarHBondContact O-CB 3.29Å; Y307-F311 PolarHBondContact O-N 3.22Å |
| 308 | C | 90.2 | Very high | 86.5 | Confident | 79 Ų | 79 | 61 Ų | 61 | 53% | 0.534 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.4 | -42.5 | 174 | -72.3 | 0 | 0 | 0 | 0 | 111.8 | G304 L305 F306 F311 V312 | G304-C308 PolarHBondContact O-N 2.8Å; G304-C308 PolarHBondContact O-SG 3.37Å; G304-C308 VanDerWaalsContact O-SG 3.32Å; L305-C308 PolarHBondContact O-N 3.39Å; F306-C308 PolarHBondContact O-N 2.97Å; C308-F311 WeakPolarHBondContact O-CB 3.17Å; C308-F311 PolarHBondContact O-N 3.48Å; C308-V312 VanDerWaalsContact O-CG2 3.32Å; C308-V312 WeakPolarHBondContact O-CG2 3.46Å; C308-V312 PolarHBondContact O-N 2.73Å |
| 309 | L | 91.3 | Very high | 87.5 | Confident | 58 Ų | 58 | 59.9 Ų | 59.9 | 30% | 0.304 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -69.3 | -38 | 178 | -71.4 | 171.8 | 0 | 0 | 0 | 112.1 | F298 P299 L305 F306 Y307 F311 V312 K313 | F298-L309 HydrophobicContact CD1-CB 3.82Å; F298-L309 HydrophobicContact CD1-CD1 4.41Å; F298-L309 HydrophobicContact CE1-CB 3.9Å; P299-L309 HydrophobicContact CG-CD1 3.38Å; L305-L309 HydrophobicContact CD1-CD1 4.18Å; L305-L309 HydrophobicContact CD1-CG 4.22Å; L305-L309 HydrophobicContact CG-CD1 3.91Å; L305-L309 HydrophobicContact CG-CG 4.36Å; L305-L309 WeakPolarHBondContact O-CB 3.49Å; L305-L309 VanDerWaalsContact O-CG 3.25Å; L305-L309 WeakPolarHBondContact O-CG 3.42Å; L305-L309 PolarHBondContact O-N 2.98Å; F306-L309 PolarHBondContact O-N 2.71Å; Y307-L309 VanDerWaalsContact C-N 3.33Å; Y307-L309 PolarHBondContact O-N 3.13Å; L309-F311 VanDerWaalsContact C-N 3.35Å; L309-V312 PolarHBondContact O-N 3.47Å; L309-K313 WeakPolarHBondContact O-CB 3.28Å; L309-K313 PolarHBondContact O-N 3.07Å |
| 310 | V | 91.3 | Very high | 88.8 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.024 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.3 | -48 | 171.2 | 172 | 0 | 0 | 0 | 0 | 110.2 | A252 R253 F298 F306 Y307 V312 K313 F314 | A252-V310 HydrophobicContact CB-CB 4.34Å; A252-V310 HydrophobicContact CB-CG1 4.1Å; R253-V310 HydrophobicContact CB-CG1 4.03Å; F298-V310 HydrophobicContact CE1-CG2 3.8Å; F298-V310 HydrophobicContact CE2-CG2 4.48Å; F298-V310 HydrophobicContact CZ-CG2 3.71Å; F306-V310 HydrophobicContact CD1-CG2 4.31Å; F306-V310 HydrophobicContact CE1-CG2 3.9Å; F306-V310 HydrophobicContact CE2-CG2 4.34Å; F306-V310 HydrophobicContact CZ-CG2 3.92Å; F306-V310 WeakPolarHBondContact O-CG2 3.5Å; F306-V310 PolarHBondContact O-N 3.1Å; Y307-V310 PolarHBondContact O-N 3.35Å; V310-V312 PolarHBondContact O-N 3.21Å; V310-K313 PolarHBondContact O-N 3.37Å; V310-F314 HydrophobicContact CG1-CD2 3.99Å; V310-F314 HydrophobicContact CG1-CE2 4.31Å; V310-F314 WeakPolarHBondContact O-CD2 3.44Å; V310-F314 PolarHBondContact O-N 3.47Å |
| 311 | F | 94.5 | Very high | 90.4 | Very high | 69 Ų | 69 | 50.6 Ų | 50.6 | 30% | 0.303 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -56.8 | -49.3 | 176.7 | 176.5 | -86.2 | 0 | 0 | 0 | 112 | A252 C255 G256 V259 Y307 C308 L309 F314 T315 | A252-F311 HydrophobicContact CB-CB 4.28Å; A252-F311 WeakPolarHBondContact O-CA 3.27Å; A252-F311 WeakPolarHBondContact O-CD2 3.35Å; C255-F311 HydrophobicContact CB-CD2 4.15Å; C255-F311 HydrophobicContact CB-CE2 3.96Å; G256-F311 VanDerWaalsContact CA-CD2 3.46Å; G256-F311 VanDerWaalsContact CA-CE2 3.41Å; V259-F311 HydrophobicContact CB-CZ 4.26Å; V259-F311 HydrophobicContact CG2-CE2 4.47Å; V259-F311 HydrophobicContact CG2-CZ 4.13Å; Y307-F311 WeakPolarHBondContact O-CB 3.29Å; Y307-F311 PolarHBondContact O-N 3.22Å; C308-F311 WeakPolarHBondContact O-CB 3.17Å; C308-F311 PolarHBondContact O-N 3.48Å; L309-F311 VanDerWaalsContact C-N 3.35Å; F311-F314 PolarHBondContact O-N 3.22Å; F311-T315 WeakPolarHBondContact O-CB 3.49Å; F311-T315 PolarHBondContact O-N 3.42Å; F311-T315 PolarHBondContact O-OG1 3.3Å |
| 312 | V | 94.8 | Very high | 91.8 | Very high | 75 Ų | 75 | 41.5 Ų | 41.5 | 46% | 0.455 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.9 | -47.3 | 178.4 | 170.6 | 0 | 0 | 0 | 0 | 110.6 | C308 L309 V310 F314 T315 L316 | C308-V312 VanDerWaalsContact O-CG2 3.32Å; C308-V312 WeakPolarHBondContact O-CG2 3.46Å; C308-V312 PolarHBondContact O-N 2.73Å; L309-V312 PolarHBondContact O-N 3.47Å; V310-V312 PolarHBondContact O-N 3.21Å; V312-F314 VanDerWaalsContact C-N 3.32Å; V312-F314 PolarHBondContact O-N 3.41Å; V312-T315 WeakPolarHBondContact O-CB 3.48Å; V312-T315 PolarHBondContact O-N 3.08Å; V312-T315 VanDerWaalsContact O-N 3.12Å; V312-L316 HydrophobicContact CG1-CD1 4.47Å; V312-L316 WeakPolarHBondContact O-CG 3.44Å; V312-L316 PolarHBondContact O-N 2.86Å |
| 313 | K | 93.4 | Very high | 92.5 | Very high | 22 Ų | 22 | 39.2 Ų | 39.2 | 10% | 0.096 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.5 | -45.9 | 179.8 | -173 | 175.9 | 178.5 | 152.2 | 0 | 111.9 | V293 Y294 F298 L309 V310 L316 | V293-K313 HydrophobicContact CG1-CD 4.42Å; V293-K313 HydrophobicContact CG1-CG 3.48Å; V293-K313 VanDerWaalsContact CG1-CG 3.48Å; V293-K313 WeakPolarHBondContact O-CE 3.24Å; V293-K313 PolarHBondContact O-NZ 2.84Å; V293-K313 VanDerWaalsContact O-NZ 3.14Å; Y294-K313 VanDerWaalsContact CA-CE 3.48Å; Y294-K313 PolarHBondContact O-NZ 2.9Å; F298-K313 HydrophobicContact CE1-CD 4.11Å; F298-K313 HydrophobicContact CE2-CD 4.5Å; F298-K313 HydrophobicContact CZ-CD 3.59Å; L309-K313 WeakPolarHBondContact O-CB 3.28Å; L309-K313 PolarHBondContact O-N 3.07Å; V310-K313 PolarHBondContact O-N 3.37Å; K313-L316 WeakPolarHBondContact O-CB 3.27Å; K313-L316 PolarHBondContact O-N 2.69Å |
| 314 | F | 95.2 | Very high | 93.2 | Very high | 7 Ų | 7 | 36 Ų | 36 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -79.7 | -22.3 | 178.8 | -80.4 | -84.4 | 0 | 0 | 0 | 113.9 | Q36 F39 L40 R253 V310 F311 V312 L316 V317 P318 | Q36-F314 HydrophobicContact CG-CZ 4.32Å; F39-F314 HydrophobicContact CB-CD1 4.38Å; F39-F314 HydrophobicContact CB-CE1 4.03Å; F39-F314 HydrophobicContact CG-CD1 4.48Å; F39-F314 HydrophobicContact CG-CE1 4.28Å; L40-F314 HydrophobicContact CD2-CE1 4.49Å; R253-F314 HydrophobicContact CB-CB 4.44Å; R253-F314 HydrophobicContact CB-CD1 4.41Å; R253-F314 HydrophobicContact CB-CD2 3.74Å; R253-F314 HydrophobicContact CB-CE2 4.07Å; R253-F314 HydrophobicContact CB-CG 3.93Å; R253-F314 HydrophobicContact CG-CB 4.27Å; R253-F314 HydrophobicContact CG-CD1 3.54Å; R253-F314 HydrophobicContact CG-CD2 3.75Å; R253-F314 HydrophobicContact CG-CE1 3.72Å; R253-F314 HydrophobicContact CG-CE2 3.93Å; R253-F314 HydrophobicContact CG-CG 3.57Å; R253-F314 HydrophobicContact CG-CZ 3.93Å; V310-F314 HydrophobicContact CG1-CD2 3.99Å; V310-F314 HydrophobicContact CG1-CE2 4.31Å; V310-F314 WeakPolarHBondContact O-CD2 3.44Å; V310-F314 PolarHBondContact O-N 3.47Å; F311-F314 PolarHBondContact O-N 3.22Å; V312-F314 VanDerWaalsContact C-N 3.32Å; V312-F314 PolarHBondContact O-N 3.41Å; F314-L316 VanDerWaalsContact C-N 3.27Å; F314-L316 PolarHBondContact O-N 3.42Å; F314-V317 HydrophobicContact CD1-CG2 4.15Å; F314-V317 PolarHBondContact O-N 3.04Å; F314-P318 WeakPolarHBondContact O-CD 3.35Å |
| 315 | T | 97.2 | Very high | 93.7 | Very high | 17 Ų | 17 | 34 Ų | 34 | 10% | 0.104 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.8 | -35.2 | 166.8 | -56.8 | 0 | 0 | 0 | 0 | 111.5 | G256 V259 G260 L263 F311 V312 V317 L319 | G256-T315 WeakPolarHBondContact CA-OG1 3.36Å; G256-T315 VanDerWaalsContact O-CA 3.27Å; G256-T315 WeakPolarHBondContact O-CA 3.49Å; G256-T315 PolarHBondContact O-OG1 3.27Å; V259-T315 HydrophobicContact CG1-CG2 4.43Å; G260-T315 WeakPolarHBondContact CA-O 3.48Å; L263-T315 HydrophobicContact CD1-CG2 4.09Å; F311-T315 WeakPolarHBondContact O-CB 3.49Å; F311-T315 PolarHBondContact O-N 3.42Å; F311-T315 PolarHBondContact O-OG1 3.3Å; V312-T315 WeakPolarHBondContact O-CB 3.48Å; V312-T315 PolarHBondContact O-N 3.08Å; V312-T315 VanDerWaalsContact O-N 3.12Å; T315-V317 VanDerWaalsContact C-N 3.33Å; T315-V317 PolarHBondContact O-N 2.84Å; T315-L319 HydrophobicContact CG2-CD1 4.44Å |
| 316 | L | 96.8 | Very high | 94 | Very high | 69 Ų | 69 | 30.6 Ų | 30.6 | 36% | 0.361 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -70.6 | -25.8 | 177.5 | -65.4 | 173.4 | 0 | 0 | 0 | 113.1 | V312 K313 F314 L319 I320 | V312-L316 HydrophobicContact CG1-CD1 4.47Å; V312-L316 WeakPolarHBondContact O-CG 3.44Å; V312-L316 PolarHBondContact O-N 2.86Å; K313-L316 WeakPolarHBondContact O-CB 3.27Å; K313-L316 PolarHBondContact O-N 2.69Å; F314-L316 VanDerWaalsContact C-N 3.27Å; F314-L316 PolarHBondContact O-N 3.42Å; L316-L319 HydrophobicContact CD2-CD1 4.46Å; L316-L319 PolarHBondContact O-N 2.94Å; L316-I320 HydrophobicContact CB-CD1 4.21Å; L316-I320 WeakPolarHBondContact O-CB 3.31Å; L316-I320 VanDerWaalsContact O-CG1 3.28Å; L316-I320 WeakPolarHBondContact O-CG1 3.16Å; L316-I320 PolarHBondContact O-N 3.33Å |
| 317 | V | 96.8 | Very high | 94.2 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.012 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.1 | -55.4 | -174.6 | 169 | 0 | 0 | 0 | 0 | 112.1 | L40 F43 L290 F314 T315 L319 I320 V321 | L40-V317 HydrophobicContact CD2-CG1 4.43Å; L40-V317 HydrophobicContact CD2-CG2 3.79Å; F43-V317 HydrophobicContact CD1-CG1 4.08Å; F43-V317 HydrophobicContact CE1-CG1 4.21Å; L290-V317 HydrophobicContact CD2-CB 4.02Å; L290-V317 HydrophobicContact CD2-CG1 3.82Å; L290-V317 HydrophobicContact CD2-CG2 3.84Å; F314-V317 HydrophobicContact CD1-CG2 4.15Å; F314-V317 PolarHBondContact O-N 3.04Å; T315-V317 VanDerWaalsContact C-N 3.33Å; T315-V317 PolarHBondContact O-N 2.84Å; V317-L319 VanDerWaalsContact C-N 3.33Å; V317-L319 PolarHBondContact O-N 3.43Å; V317-I320 PolarHBondContact O-N 3.47Å; V317-V321 WeakPolarHBondContact O-CG2 3.34Å; V317-V321 PolarHBondContact O-N 2.93Å |
| 318 | P | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.5 | -35.5 | 176.5 | -20.2 | 33 | 0 | 0 | 0 | 113.1 | F43 L58 T257 L261 A264 F314 I320 V321 M322 | F43-P318 HydrophobicContact CE1-CB 4.46Å; F43-P318 HydrophobicContact CZ-CB 4.32Å; L58-P318 HydrophobicContact CD1-CB 4.1Å; L58-P318 HydrophobicContact CD1-CG 3.75Å; T257-P318 HydrophobicContact CG2-CG 4.27Å; L261-P318 HydrophobicContact CB-CB 4.36Å; L261-P318 HydrophobicContact CB-CG 4.31Å; A264-P318 HydrophobicContact CB-CB 4.29Å; F314-P318 WeakPolarHBondContact O-CD 3.35Å; P318-I320 PolarHBondContact O-N 3.4Å; P318-V321 PolarHBondContact O-N 3.12Å; P318-M322 HydrophobicContact CB-SD 4.19Å; P318-M322 VanDerWaalsContact O-CB 3.23Å; P318-M322 WeakPolarHBondContact O-CB 3.29Å; P318-M322 WeakPolarHBondContact O-CG 3.39Å; P318-M322 PolarHBondContact O-N 3.34Å |
| 319 | L | 96.9 | Very high | 94.5 | Very high | 39 Ų | 39 | 29.5 Ų | 29.5 | 20% | 0.204 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.3 | -42.5 | 178.6 | -68.5 | 173.3 | 0 | 0 | 0 | 111.9 | L263 A264 T315 L316 V317 V323 V324 | L263-L319 HydrophobicContact CB-CD2 3.83Å; L263-L319 HydrophobicContact CD1-CD1 4.42Å; A264-L319 HydrophobicContact CB-CD2 4.18Å; T315-L319 HydrophobicContact CG2-CD1 4.44Å; L316-L319 HydrophobicContact CD2-CD1 4.46Å; L316-L319 PolarHBondContact O-N 2.94Å; V317-L319 VanDerWaalsContact C-N 3.33Å; V317-L319 PolarHBondContact O-N 3.43Å; L319-V323 WeakPolarHBondContact O-CA 3.26Å; L319-V323 WeakPolarHBondContact O-CB 3.41Å; L319-V323 PolarHBondContact O-N 3.03Å; L319-V324 PolarHBondContact O-N 3.44Å |
| 320 | I | 96.6 | Very high | 94.4 | Very high | 21 Ų | 21 | 30.4 Ų | 30.4 | 11% | 0.108 | 16% | 0.163 | C | C | . | . | I | π-helix | trans | -61.2 | -52.5 | 177.1 | -72.5 | 166.4 | 0 | 0 | 0 | 109.8 | L290 V293 L316 V317 P318 V324 S325 | L290-I320 HydrophobicContact CD2-CB 4.44Å; L290-I320 HydrophobicContact CD2-CD1 4.41Å; L290-I320 HydrophobicContact CD2-CG2 4.38Å; L290-I320 HydrophobicContact CG-CG2 4.42Å; V293-I320 HydrophobicContact CB-CD1 4.46Å; V293-I320 HydrophobicContact CG2-CD1 3.55Å; L316-I320 HydrophobicContact CB-CD1 4.21Å; L316-I320 WeakPolarHBondContact O-CB 3.31Å; L316-I320 VanDerWaalsContact O-CG1 3.28Å; L316-I320 WeakPolarHBondContact O-CG1 3.16Å; L316-I320 PolarHBondContact O-N 3.33Å; V317-I320 PolarHBondContact O-N 3.47Å; P318-I320 PolarHBondContact O-N 3.4Å; I320-V324 PolarHBondContact O-N 3.31Å; I320-S325 WeakPolarHBondContact O-CB 3.17Å; I320-S325 PolarHBondContact O-N 2.91Å; I320-S325 PolarHBondContact O-OG 3.27Å; I320-S325 VanDerWaalsContact O-OG 3.05Å |
| 321 | V | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | I | π-helix | trans | -69.8 | -45.4 | -172.8 | 175.1 | 0 | 0 | 0 | 0 | 112.4 | F43 P44 Y47 F48 L290 V317 P318 P326 | F43-V321 HydrophobicContact CD1-CB 4.43Å; F43-V321 HydrophobicContact CD1-CG1 4.39Å; F43-V321 HydrophobicContact CD1-CG2 4.08Å; F43-V321 HydrophobicContact CE1-CB 3.52Å; F43-V321 HydrophobicContact CE1-CG1 3.69Å; F43-V321 HydrophobicContact CE1-CG2 3.55Å; F43-V321 HydrophobicContact CE2-CG1 4.4Å; F43-V321 HydrophobicContact CZ-CB 3.83Å; F43-V321 HydrophobicContact CZ-CG1 3.7Å; F43-V321 HydrophobicContact CZ-CG2 4.36Å; P44-V321 HydrophobicContact CB-CG1 4.26Å; P44-V321 HydrophobicContact CB-CG2 4.19Å; P44-V321 HydrophobicContact CG-CG2 3.84Å; Y47-V321 HydrophobicContact CD1-CG1 3.85Å; Y47-V321 HydrophobicContact CG-CG1 4.2Å; F48-V321 HydrophobicContact CE2-CG1 3.86Å; F48-V321 HydrophobicContact CZ-CG1 4.16Å; F48-V321 VanDerWaalsContact CZ-O 3.27Å; F48-V321 WeakPolarHBondContact CZ-O 3.46Å; L290-V321 HydrophobicContact CD1-CG2 3.82Å; L290-V321 HydrophobicContact CD2-CG2 4.4Å; L290-V321 HydrophobicContact CG-CG2 4.36Å; V317-V321 WeakPolarHBondContact O-CG2 3.34Å; V317-V321 PolarHBondContact O-N 2.93Å; P318-V321 PolarHBondContact O-N 3.12Å; V321-P326 WeakPolarHBondContact O-CD 3.32Å |
| 322 | M | 94.8 | Very high | 93.9 | Very high | 8 Ų | 8 | 38.8 Ų | 38.8 | 4% | 0.039 | 20% | 0.2 | C | C | . | . | I | π-helix | trans | -91 | -27.3 | -170.2 | -59.4 | 175.7 | 56.6 | 0 | 0 | 113 | F43 Y47 L261 A264 Q265 Q269 P318 | F43-M322 HydrophobicContact CE2-CG 4.48Å; F43-M322 HydrophobicContact CE2-SD 4.38Å; F43-M322 HydrophobicContact CZ-CG 3.88Å; F43-M322 HydrophobicContact CZ-SD 4.01Å; Y47-M322 HydrophobicContact CD1-CG 4.33Å; Y47-M322 HydrophobicContact CD2-CG 4.08Å; Y47-M322 HydrophobicContact CE1-CB 4.2Å; Y47-M322 HydrophobicContact CE1-CG 3.93Å; Y47-M322 HydrophobicContact CE2-CB 4.43Å; Y47-M322 HydrophobicContact CE2-CE 3.86Å; Y47-M322 HydrophobicContact CE2-CG 3.68Å; Y47-M322 HydrophobicContact CE2-SD 4.17Å; Y47-M322 HydrophobicContact CG-CG 4.4Å; L261-M322 HydrophobicContact CD1-CE 4.19Å; L261-M322 HydrophobicContact CD1-SD 3.74Å; A264-M322 HydrophobicContact CB-CB 3.91Å; A264-M322 HydrophobicContact CB-CE 3.91Å; A264-M322 HydrophobicContact CB-CG 4.34Å; A264-M322 HydrophobicContact CB-SD 3.7Å; Q265-M322 HydrophobicContact CG-CE 3.89Å; Q269-M322 PolarHBondContact NE2-O 3.07Å; P318-M322 HydrophobicContact CB-SD 4.19Å; P318-M322 VanDerWaalsContact O-CB 3.23Å; P318-M322 WeakPolarHBondContact O-CB 3.29Å; P318-M322 WeakPolarHBondContact O-CG 3.39Å; P318-M322 PolarHBondContact O-N 3.34Å |
| 323 | V | 94.3 | Very high | 93.4 | Very high | 13 Ų | 13 | 37.6 Ų | 37.6 | 8% | 0.079 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -116.6 | -62.7 | -172.7 | -175.2 | 0 | 0 | 0 | 0 | 111.8 | A264 W267 L319 V327 | A264-V323 HydrophobicContact CB-CG2 4.09Å; W267-V323 HydrophobicContact CB-CG2 3.9Å; W267-V323 HydrophobicContact CD2-CG1 3.82Å; W267-V323 HydrophobicContact CG-CG1 3.76Å; W267-V323 HydrophobicContact CG-CG2 4.01Å; L319-V323 WeakPolarHBondContact O-CA 3.26Å; L319-V323 WeakPolarHBondContact O-CB 3.41Å; L319-V323 PolarHBondContact O-N 3.03Å; V323-V327 WeakPolarHBondContact O-CB 3.34Å; V323-V327 WeakPolarHBondContact O-CG2 3.37Å; V323-V327 PolarHBondContact O-N 2.95Å |
| 324 | V | 94.7 | Very high | 92.6 | Very high | 67 Ų | 67 | 38.5 Ų | 38.5 | 41% | 0.406 | 20% | 0.202 | S | C | . | . | I | π-helix | trans | -64.8 | -51.8 | -170 | 178.6 | 0 | 0 | 0 | 0 | 111.3 | L319 I320 V327 L328 | L319-V324 PolarHBondContact O-N 3.44Å; I320-V324 PolarHBondContact O-N 3.31Å; V324-V327 PolarHBondContact O-N 3.29Å; V324-L328 HydrophobicContact CG1-CD1 3.63Å; V324-L328 HydrophobicContact CG1-CG 4.15Å; V324-L328 WeakPolarHBondContact O-CB 3.42Å; V324-L328 VanDerWaalsContact O-CG 3.26Å; V324-L328 WeakPolarHBondContact O-CG 3.2Å; V324-L328 PolarHBondContact O-N 2.72Å |
| 325 | S | 94.1 | Very high | 91.4 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.014 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.9 | -48.3 | -175.1 | -59.8 | 0 | 0 | 0 | 0 | 113.3 | S282 S286 I320 V327 L328 V329 | S282-S325 WeakPolarHBondContact O-CB 3.43Å; S286-S325 VanDerWaalsContact CA-OG 3.32Å; S286-S325 WeakPolarHBondContact CA-OG 3.33Å; S286-S325 PolarHBondContact N-OG 3.21Å; S286-S325 WeakPolarHBondContact OG-CB 3.45Å; S286-S325 PolarHBondContact OG-OG 3.33Å; S286-S325 VanDerWaalsContact OG-OG 3.08Å; I320-S325 WeakPolarHBondContact O-CB 3.17Å; I320-S325 PolarHBondContact O-N 2.91Å; I320-S325 PolarHBondContact O-OG 3.27Å; I320-S325 VanDerWaalsContact O-OG 3.05Å; S325-V327 PolarHBondContact O-N 3.38Å; S325-L328 PolarHBondContact O-N 2.89Å; S325-V329 VanDerWaalsContact O-CG2 3.31Å; S325-V329 WeakPolarHBondContact O-CG2 3.35Å; S325-V329 PolarHBondContact O-N 3.02Å |
| 326 | P | 92.2 | Very high | 90 | Very high | 7 Ų | 7 | 50 Ų | 50 | 5% | 0.045 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 175.9 | -25.2 | 35.7 | 0 | 0 | 0 | 113.5 | F48 H278 V321 V329 H330 | F48-P326 HydrophobicContact CE1-CG 4.13Å; F48-P326 HydrophobicContact CZ-CG 4.46Å; H278-P326 PolarHBondContact CE1-O 2.66Å; H278-P326 VanDerWaalsContact CE1-O 3.31Å; V321-P326 WeakPolarHBondContact O-CD 3.32Å; P326-V329 PolarHBondContact O-N 2.93Å; P326-H330 WeakPolarHBondContact O-CB 3.48Å; P326-H330 PolarHBondContact O-N 2.94Å |
| 327 | V | 91.6 | Very high | 88.3 | Confident | 62 Ų | 62 | 55.5 Ų | 55.5 | 38% | 0.376 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.2 | -45.1 | 179.9 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | V323 V324 S325 V329 H330 F331 | V323-V327 WeakPolarHBondContact O-CB 3.34Å; V323-V327 WeakPolarHBondContact O-CG2 3.37Å; V323-V327 PolarHBondContact O-N 2.95Å; V324-V327 PolarHBondContact O-N 3.29Å; S325-V327 PolarHBondContact O-N 3.38Å; V327-V329 PolarHBondContact O-N 3.47Å; V327-H330 PolarHBondContact O-N 3.22Å; V327-F331 WeakPolarHBondContact O-CB 3.09Å; V327-F331 PolarHBondContact O-N 3.27Å |
| 328 | L | 92.3 | Very high | 86.3 | Confident | 74 Ų | 74 | 64.3 Ų | 64.3 | 39% | 0.387 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.9 | -48.1 | 176 | -73.7 | 175.8 | 0 | 0 | 0 | 111 | V285 V324 S325 H330 F331 F332 | V285-L328 HydrophobicContact CG1-CD1 4.43Å; V324-L328 HydrophobicContact CG1-CD1 3.63Å; V324-L328 HydrophobicContact CG1-CG 4.15Å; V324-L328 WeakPolarHBondContact O-CB 3.42Å; V324-L328 VanDerWaalsContact O-CG 3.26Å; V324-L328 WeakPolarHBondContact O-CG 3.2Å; V324-L328 PolarHBondContact O-N 2.72Å; S325-L328 PolarHBondContact O-N 2.89Å; L328-H330 VanDerWaalsContact C-N 3.31Å; L328-H330 PolarHBondContact O-N 3.03Å; L328-F331 PolarHBondContact O-N 2.73Å; L328-F332 HydrophobicContact CD2-CE2 4.44Å; L328-F332 WeakPolarHBondContact O-CD2 3.25Å; L328-F332 PolarHBondContact O-N 3.43Å |
| 329 | V | 92 | Very high | 83.9 | Confident | 4 Ų | 4 | 72.8 Ų | 72.8 | 2% | 0.024 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 179.5 | 174 | 0 | 0 | 0 | 0 | 111.5 | H278 L281 V285 S325 P326 V327 F332 T333 | H278-V329 WeakPolarHBondContact ND1-CG1 3.13Å; L281-V329 HydrophobicContact CB-CG1 4.06Å; L281-V329 HydrophobicContact CB-CG2 4.33Å; L281-V329 HydrophobicContact CD2-CG1 3.67Å; L281-V329 HydrophobicContact CD2-CG2 4.25Å; L281-V329 HydrophobicContact CG-CG1 3.91Å; L281-V329 HydrophobicContact CG-CG2 3.8Å; V285-V329 HydrophobicContact CB-CG2 4.49Å; V285-V329 HydrophobicContact CG2-CG2 3.93Å; S325-V329 VanDerWaalsContact O-CG2 3.31Å; S325-V329 WeakPolarHBondContact O-CG2 3.35Å; S325-V329 PolarHBondContact O-N 3.02Å; P326-V329 PolarHBondContact O-N 2.93Å; V327-V329 PolarHBondContact O-N 3.47Å; V329-F332 PolarHBondContact O-N 2.93Å; V329-T333 HydrophobicContact CG1-CG2 4.17Å; V329-T333 WeakPolarHBondContact O-CB 3.29Å; V329-T333 VanDerWaalsContact O-CG2 3.29Å; V329-T333 WeakPolarHBondContact O-CG2 3.5Å; V329-T333 PolarHBondContact O-N 3.44Å; V329-T333 PolarHBondContact O-OG1 3.01Å |
| 330 | H | 89.3 | Confident | 83.3 | Confident | 76 Ų | 76 | 74.5 Ų | 74.5 | 35% | 0.352 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 175.9 | -176.8 | 84.5 | 0 | 0 | 0 | 112.3 | W272 P326 V327 L328 F332 T333 S334 | W272-H330 AromaticContact CE3-CE1 3.4Å; W272-H330 AromaticContact CE3-CG 3.79Å; W272-H330 AromaticContact CE3-ND1 3.31Å; W272-H330 VanDerWaalsContact CE3-ND1 3.31Å; W272-H330 AromaticContact CE3-NE2 3.93Å; W272-H330 HydrophobicContact CH2-CB 3.09Å; W272-H330 AromaticContact CH2-CD2 3.6Å; W272-H330 AromaticContact CH2-CG 3.1Å; W272-H330 AromaticContact CH2-ND1 3.53Å; W272-H330 HydrophobicContact CZ2-CB 3.68Å; W272-H330 AromaticContact CZ2-CG 3.99Å; W272-H330 HydrophobicContact CZ3-CB 3.62Å; W272-H330 AromaticContact CZ3-CD2 3.2Å; W272-H330 WeakPolarHBondContact CZ3-CD2 3.5Å; W272-H330 AromaticContact CZ3-CE1 3.25Å; W272-H330 WeakPolarHBondContact CZ3-CE1 3.35Å; W272-H330 AromaticContact CZ3-CG 2.99Å; W272-H330 AromaticContact CZ3-ND1 3.05Å; W272-H330 WeakPolarHBondContact CZ3-ND1 3.34Å; W272-H330 AromaticContact CZ3-NE2 3.37Å; W272-H330 WeakPolarHBondContact CZ3-NE2 3.48Å; P326-H330 WeakPolarHBondContact O-CB 3.48Å; P326-H330 PolarHBondContact O-N 2.94Å; V327-H330 PolarHBondContact O-N 3.22Å; L328-H330 VanDerWaalsContact C-N 3.31Å; L328-H330 PolarHBondContact O-N 3.03Å; H330-F332 VanDerWaalsContact C-N 3.35Å; H330-F332 PolarHBondContact O-N 3.33Å; H330-T333 WeakPolarHBondContact CA-OG1 3.05Å; H330-T333 PolarHBondContact O-N 3.5Å; H330-T333 PolarHBondContact O-OG1 3.21Å; H330-S334 VanDerWaalsContact O-CB 3.25Å; H330-S334 WeakPolarHBondContact O-CB 3.39Å; H330-S334 PolarHBondContact O-N 3.2Å; H330-S334 PolarHBondContact O-OG 2.89Å |
| 331 | F | 87.9 | Confident | 82.6 | Confident | 125 Ų | 125 | 77.3 Ų | 77.3 | 55% | 0.548 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.9 | -45.8 | 178.4 | -179.2 | -98.5 | 0 | 0 | 0 | 111.7 | V327 L328 S334 K335 | V327-F331 WeakPolarHBondContact O-CB 3.09Å; V327-F331 PolarHBondContact O-N 3.27Å; L328-F331 PolarHBondContact O-N 2.73Å; F331-S334 PolarHBondContact O-OG 3.44Å; F331-K335 WeakPolarHBondContact O-CB 3.25Å; F331-K335 PolarHBondContact O-N 3.42Å |
| 332 | F | 87.4 | Confident | 81.8 | Confident | 125 Ų | 125 | 81.6 Ų | 81.6 | 55% | 0.548 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -70 | -42 | 179 | -73.5 | -67.2 | 0 | 0 | 0 | 112.9 | L328 V329 H330 K335 M336 | L328-F332 HydrophobicContact CD2-CE2 4.44Å; L328-F332 WeakPolarHBondContact O-CD2 3.25Å; L328-F332 PolarHBondContact O-N 3.43Å; V329-F332 PolarHBondContact O-N 2.93Å; H330-F332 VanDerWaalsContact C-N 3.35Å; H330-F332 PolarHBondContact O-N 3.33Å; F332-K335 PolarHBondContact O-N 2.96Å; F332-M336 WeakPolarHBondContact O-CG 3.38Å; F332-M336 PolarHBondContact O-N 2.83Å |
| 333 | T | 84.4 | Confident | 81.1 | Confident | 50 Ų | 50 | 85.9 Ų | 85.9 | 31% | 0.307 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -72.1 | -29.6 | -179.5 | 53.6 | 0 | 0 | 0 | 0 | 113.4 | L281 V329 H330 | L281-T333 HydrophobicContact CD2-CG2 4.48Å; V329-T333 HydrophobicContact CG1-CG2 4.17Å; V329-T333 WeakPolarHBondContact O-CB 3.29Å; V329-T333 VanDerWaalsContact O-CG2 3.29Å; V329-T333 WeakPolarHBondContact O-CG2 3.5Å; V329-T333 PolarHBondContact O-N 3.44Å; V329-T333 PolarHBondContact O-OG1 3.01Å; H330-T333 WeakPolarHBondContact CA-OG1 3.05Å; H330-T333 PolarHBondContact O-N 3.5Å; H330-T333 PolarHBondContact O-OG1 3.21Å |
| 334 | S | 76.8 | Confident | 80.2 | Confident | 41 Ų | 41 | 90.5 Ų | 90.5 | 29% | 0.287 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -73.6 | -35.4 | 174.5 | 60.7 | 0 | 0 | 0 | 0 | 112.4 | H330 F331 K337 | H330-S334 VanDerWaalsContact O-CB 3.25Å; H330-S334 WeakPolarHBondContact O-CB 3.39Å; H330-S334 PolarHBondContact O-N 3.2Å; H330-S334 PolarHBondContact O-OG 2.89Å; F331-S334 PolarHBondContact O-OG 3.44Å; S334-K337 PolarHBondContact O-N 3.1Å |
| 335 | K | 71 | Confident | 79.3 | Confident | 121 Ų | 121 | 92.1 Ų | 92.1 | 53% | 0.526 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.8 | -44.6 | 174.9 | -167.1 | 178.2 | 178.7 | -175.8 | 0 | 111.8 | F331 F332 K337 K338 | F331-K335 WeakPolarHBondContact O-CB 3.25Å; F331-K335 PolarHBondContact O-N 3.42Å; F332-K335 PolarHBondContact O-N 2.96Å; K335-K337 PolarHBondContact O-N 3.35Å; K335-K337 VanDerWaalsContact O-N 3.1Å; K335-K338 PolarHBondContact O-N 2.99Å |
| 336 | M | 66.3 | Low | 78.2 | Confident | 144 Ų | 144 | 98.5 Ų | 98.5 | 71% | 0.709 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -16.2 | 176.8 | -69.3 | 178.8 | 72.1 | 0 | 0 | 115 | F332 | F332-M336 WeakPolarHBondContact O-CG 3.38Å; F332-M336 PolarHBondContact O-N 2.83Å |
| 337 | K | 62.1 | Low | 77.1 | Confident | 184 Ų | 184 | 105.5 Ų | 105.5 | 80% | 0.8 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -12 | 174.8 | -76.1 | -177 | 176.3 | -176.5 | 0 | 113.4 | S334 K335 | S334-K337 PolarHBondContact O-N 3.1Å; K335-K337 PolarHBondContact O-N 3.35Å; K335-K337 VanDerWaalsContact O-N 3.1Å |
| 338 | K | 54.2 | Low | 75.9 | Confident | 188 Ų | 188 | 109.2 Ų | 109.2 | 82% | 0.817 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | -14.8 | -179 | -71.6 | -176.1 | 176.9 | -178.9 | 0 | 113 | K335 | K335-K338 PolarHBondContact O-N 2.99Š|
| 339 | D | 47.6 | Very low | 74.5 | Confident | 178 Ų | 178 | 112.4 Ų | 112.4 | 95% | 0.952 | 53% | 0.534 | S | S | * | . | trans | -98.6 | 0 | 174.2 | -60.4 | -25 | 0 | 0 | 0 | 110 |
Retrieved 339 of 339 residues in 303.8 ms
(Link to these results)