| 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 | 47.4 | Very low | 72.8 | Confident | 229 Ų | 229 | 107.4 Ų | 107.4 | 100% | 1.128 | 59% | 0.586 | S | S | * | * | 0 | 119.2 | 0 | -85.6 | 175.2 | -172.9 | 0 | 0 | 106.9 | |||||
| 2 | V | 55.3 | Low | 74.3 | Confident | 82 Ų | 82 | 106.3 Ų | 106.3 | 50% | 0.497 | 57% | 0.571 | S | S | . | * | trans | -62.3 | 129.1 | 161 | 172.1 | 0 | 0 | 0 | 0 | 105.9 | E4 P77 | V2-E4 PolarHBondContact O-N 3.21Å; V2-P77 HydrophobicContact CG1-CG 3.7Å | ||
| 3 | T | 59 | Low | 75.7 | Confident | 61 Ų | 61 | 104.3 Ų | 104.3 | 37% | 0.374 | 57% | 0.565 | S | S | . | * | trans | -76.4 | 111 | 174.6 | 45.1 | 0 | 0 | 0 | 0 | 107.8 | G5 V74 Y75 | T3-G5 VanDerWaalsContact C-N 3.28Å; T3-G5 PolarHBondContact O-N 2.97Å; T3-V74 HydrophobicContact CG2-CG1 4.06Å; T3-V74 WeakPolarHBondContact OG1-CG1 3.27Å; T3-Y75 WeakPolarHBondContact OG1-CD1 3.37Å; T3-Y75 WeakPolarHBondContact OG1-CE1 3.44Å | ||
| 4 | E | 54.4 | Low | 76.9 | Confident | 203 Ų | 203 | 103.6 Ų | 103.6 | 95% | 0.949 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -71.8 | 86 | 169.9 | -65.7 | -170.7 | 176.1 | 0 | 0 | 108.6 | V2 | V2-E4 PolarHBondContact O-N 3.21Š|
| 5 | G | 66.8 | Low | 78.1 | Confident | 50 Ų | 50 | 98.3 Ų | 98.3 | 52% | 0.515 | 53% | 0.53 | S | S | . | . | S | Bend | trans | 165.4 | 151.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T3 | T3-G5 VanDerWaalsContact C-N 3.28Å; T3-G5 PolarHBondContact O-N 2.97Å |
| 6 | E | 75.6 | Confident | 79.1 | Confident | 165 Ų | 165 | 95.7 Ų | 95.7 | 77% | 0.771 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 144 | 172.9 | -70.5 | -165.2 | 177.8 | 0 | 0 | 111 | T8 | E6-T8 PolarHBondContact O-N 3.06Š|
| 7 | P | 83.6 | Confident | 80.1 | Confident | 36 Ų | 36 | 96.2 Ų | 96.2 | 23% | 0.234 | 52% | 0.517 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 133.8 | 176 | 18.4 | -25.7 | 0 | 0 | 0 | 110.8 | V11 K12 Y75 | P7-V11 HydrophobicContact CB-CB 4.43Å; P7-V11 HydrophobicContact CB-CG1 4.15Å; P7-K12 HydrophobicContact CB-CG 4.17Å; P7-K12 HydrophobicContact CG-CG 4.19Å; P7-K12 WeakPolarHBondContact O-CE 3.29Å; P7-Y75 VanDerWaalsContact CA-CE1 3.41Å; P7-Y75 HydrophobicContact CB-CD1 3.83Å; P7-Y75 HydrophobicContact CB-CD2 4.08Å; P7-Y75 HydrophobicContact CB-CE1 3.63Å; P7-Y75 HydrophobicContact CB-CE2 3.95Å; P7-Y75 HydrophobicContact CB-CG 4.05Å; P7-Y75 HydrophobicContact CG-CD1 4.08Å; P7-Y75 HydrophobicContact CG-CE1 4.36Å; P7-Y75 HydrophobicContact CG-CG 4.19Å |
| 8 | T | 88.4 | Confident | 81.1 | Confident | 82 Ų | 82 | 92.9 Ų | 92.9 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 154.4 | 174.4 | 66.6 | 0 | 0 | 0 | 0 | 111.1 | E6 L10 V11 K12 | E6-T8 PolarHBondContact O-N 3.06Å; T8-L10 PolarHBondContact O-N 3.19Å; T8-V11 WeakPolarHBondContact O-CB 3.13Å; T8-V11 PolarHBondContact O-N 3.4Å; T8-V11 WeakPolarHBondContact OG1-CG2 3.49Å; T8-V11 PolarHBondContact OG1-N 3.17Å; T8-K12 PolarHBondContact O-N 3.05Å |
| 9 | D | 89.4 | Confident | 81.9 | Confident | 120 Ų | 120 | 88 Ų | 88 | 64% | 0.642 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -56.9 | -37 | 178.6 | -64.4 | -24.6 | 0 | 0 | 0 | 112.3 | V11 K12 V13 | D9-V11 VanDerWaalsContact C-N 3.34Å; D9-V11 PolarHBondContact O-N 2.86Å; D9-K12 PolarHBondContact O-N 3.14Å; D9-V13 WeakPolarHBondContact O-CB 3.3Å; D9-V13 VanDerWaalsContact O-CG2 3.29Å; D9-V13 WeakPolarHBondContact O-CG2 3.25Å; D9-V13 PolarHBondContact O-N 2.87Å |
| 10 | L | 90.3 | Very high | 82.7 | Confident | 119 Ų | 119 | 86.1 Ų | 86.1 | 62% | 0.623 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -59.6 | -44.5 | 174.9 | 179.9 | 62.5 | 0 | 0 | 0 | 111.8 | T8 V13 L14 | T8-L10 PolarHBondContact O-N 3.19Å; L10-V13 PolarHBondContact O-N 3.43Å; L10-L14 HydrophobicContact CD1-CD1 4.11Å; L10-L14 HydrophobicContact CD1-CG 4.18Å; L10-L14 HydrophobicContact CG-CD1 4.01Å; L10-L14 HydrophobicContact CG-CG 4.46Å; L10-L14 WeakPolarHBondContact O-CB 3.5Å; L10-L14 VanDerWaalsContact O-CG 3.26Å; L10-L14 WeakPolarHBondContact O-CG 3.46Å; L10-L14 PolarHBondContact O-N 2.96Å |
| 11 | V | 90.7 | Very high | 83.4 | Confident | 34 Ų | 34 | 87.1 Ų | 87.1 | 21% | 0.206 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -65.8 | -42.8 | 178.3 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | P7 T8 D9 V13 L14 H15 V71 Y75 | P7-V11 HydrophobicContact CB-CB 4.43Å; P7-V11 HydrophobicContact CB-CG1 4.15Å; T8-V11 WeakPolarHBondContact O-CB 3.13Å; T8-V11 PolarHBondContact O-N 3.4Å; T8-V11 WeakPolarHBondContact OG1-CG2 3.49Å; T8-V11 PolarHBondContact OG1-N 3.17Å; D9-V11 VanDerWaalsContact C-N 3.34Å; D9-V11 PolarHBondContact O-N 2.86Å; V11-V13 PolarHBondContact O-N 2.93Å; V11-L14 PolarHBondContact O-N 2.96Å; V11-H15 VanDerWaalsContact O-CB 3.31Å; V11-H15 WeakPolarHBondContact O-CB 3.38Å; V11-H15 PolarHBondContact O-N 3.31Å; V11-V71 HydrophobicContact CG1-CG1 3.91Å; V11-Y75 HydrophobicContact CG1-CE2 3.74Å |
| 12 | K | 90.3 | Very high | 85.8 | Confident | 95 Ų | 95 | 76.3 Ų | 76.3 | 41% | 0.413 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58.1 | -48.5 | 175.6 | -67.6 | 174.2 | 178.1 | 164.7 | 0 | 111 | P7 T8 D9 H15 L16 | P7-K12 HydrophobicContact CB-CG 4.17Å; P7-K12 HydrophobicContact CG-CG 4.19Å; P7-K12 WeakPolarHBondContact O-CE 3.29Å; T8-K12 PolarHBondContact O-N 3.05Å; D9-K12 PolarHBondContact O-N 3.14Å; K12-H15 PolarHBondContact O-N 3.24Å; K12-L16 WeakPolarHBondContact O-CB 3.38Å; K12-L16 PolarHBondContact O-N 3.37Å |
| 13 | V | 92.4 | Very high | 87.8 | Confident | 80 Ų | 80 | 76.3 Ų | 76.3 | 49% | 0.485 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63 | -48 | 178.5 | 170.4 | 0 | 0 | 0 | 0 | 111.5 | D9 L10 V11 H15 L16 L17 | D9-V13 WeakPolarHBondContact O-CB 3.3Å; D9-V13 VanDerWaalsContact O-CG2 3.29Å; D9-V13 WeakPolarHBondContact O-CG2 3.25Å; D9-V13 PolarHBondContact O-N 2.87Å; L10-V13 PolarHBondContact O-N 3.43Å; V11-V13 PolarHBondContact O-N 2.93Å; V13-H15 VanDerWaalsContact C-N 3.34Å; V13-H15 PolarHBondContact O-N 3.29Å; V13-L16 PolarHBondContact O-N 3.21Å; V13-L17 HydrophobicContact CG1-CD1 3.95Å; V13-L17 HydrophobicContact CG1-CG 4.36Å; V13-L17 WeakPolarHBondContact O-CG 3.3Å; V13-L17 PolarHBondContact O-N 3.43Å |
| 14 | L | 93.6 | Very high | 89.7 | Confident | 95 Ų | 95 | 74.8 Ų | 74.8 | 50% | 0.497 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 179.2 | -73.5 | 174 | 0 | 0 | 0 | 111.7 | L10 V11 L17 V18 | L10-L14 HydrophobicContact CD1-CD1 4.11Å; L10-L14 HydrophobicContact CD1-CG 4.18Å; L10-L14 HydrophobicContact CG-CD1 4.01Å; L10-L14 HydrophobicContact CG-CG 4.46Å; L10-L14 WeakPolarHBondContact O-CB 3.5Å; L10-L14 VanDerWaalsContact O-CG 3.26Å; L10-L14 WeakPolarHBondContact O-CG 3.46Å; L10-L14 PolarHBondContact O-N 2.96Å; V11-L14 PolarHBondContact O-N 2.96Å; L14-L17 PolarHBondContact O-N 3.49Å; L14-V18 VanDerWaalsContact O-CG2 3.32Å; L14-V18 WeakPolarHBondContact O-CG2 3.49Å; L14-V18 PolarHBondContact O-N 3.44Å |
| 15 | H | 94.1 | Very high | 91.8 | Very high | 23 Ų | 23 | 66.5 Ų | 66.5 | 11% | 0.106 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.5 | -45.9 | 176.9 | -175 | -162.3 | 0 | 0 | 0 | 111.5 | V11 K12 V13 L17 V18 L19 S68 V71 Y92 | V11-H15 VanDerWaalsContact O-CB 3.31Å; V11-H15 WeakPolarHBondContact O-CB 3.38Å; V11-H15 PolarHBondContact O-N 3.31Å; K12-H15 PolarHBondContact O-N 3.24Å; V13-H15 VanDerWaalsContact C-N 3.34Å; V13-H15 PolarHBondContact O-N 3.29Å; H15-L17 VanDerWaalsContact C-N 3.35Å; H15-L17 PolarHBondContact O-N 2.83Å; H15-V18 PolarHBondContact O-N 2.79Å; H15-L19 WeakPolarHBondContact O-CB 3.49Å; H15-L19 PolarHBondContact O-N 2.9Å; H15-S68 WeakPolarHBondContact NE2-CB 3.42Å; H15-V71 HydrophobicContact CB-CG1 4.2Å; H15-Y92 AromaticContact NE2-CZ 3.9Å; H15-Y92 PolarHBondContact NE2-OH 3.29Å |
| 16 | L | 94.1 | Very high | 93.2 | Very high | 57 Ų | 57 | 64.2 Ų | 64.2 | 30% | 0.298 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.1 | -41.7 | 176.6 | -179.1 | 62.8 | 0 | 0 | 0 | 112.3 | K12 V13 L19 S20 T181 | K12-L16 WeakPolarHBondContact O-CB 3.38Å; K12-L16 PolarHBondContact O-N 3.37Å; V13-L16 PolarHBondContact O-N 3.21Å; L16-L19 PolarHBondContact O-N 2.78Å; L16-S20 VanDerWaalsContact O-CB 3.3Å; L16-S20 WeakPolarHBondContact O-CB 3.19Å; L16-S20 PolarHBondContact O-N 3.5Å; L16-S20 PolarHBondContact O-OG 3.26Å; L16-T181 HydrophobicContact CD1-CG2 4.24Å |
| 17 | L | 96.4 | Very high | 94.3 | Very high | 104 Ų | 104 | 59 Ų | 59 | 55% | 0.545 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 177.1 | -72 | 174 | 0 | 0 | 0 | 111.9 | V13 L14 H15 S20 F21 | V13-L17 HydrophobicContact CG1-CD1 3.95Å; V13-L17 HydrophobicContact CG1-CG 4.36Å; V13-L17 WeakPolarHBondContact O-CG 3.3Å; V13-L17 PolarHBondContact O-N 3.43Å; L14-L17 PolarHBondContact O-N 3.49Å; H15-L17 VanDerWaalsContact C-N 3.35Å; H15-L17 PolarHBondContact O-N 2.83Å; L17-S20 PolarHBondContact O-N 3.21Å; L17-F21 VanDerWaalsContact O-CB 3.28Å; L17-F21 WeakPolarHBondContact O-CB 3.42Å; L17-F21 PolarHBondContact O-N 2.94Å |
| 18 | V | 97.6 | Very high | 95 | Very high | 37 Ų | 37 | 64.5 Ų | 64.5 | 22% | 0.224 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.4 | -45.9 | 176.7 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | L14 H15 S20 F21 A22 S64 V67 | L14-V18 VanDerWaalsContact O-CG2 3.32Å; L14-V18 WeakPolarHBondContact O-CG2 3.49Å; L14-V18 PolarHBondContact O-N 3.44Å; H15-V18 PolarHBondContact O-N 2.79Å; V18-S20 PolarHBondContact O-N 3.37Å; V18-F21 PolarHBondContact O-N 3Å; V18-A22 WeakPolarHBondContact O-CB 3.38Å; V18-A22 PolarHBondContact O-N 3.06Å; V18-S64 WeakPolarHBondContact CG1-O 3.41Å; V18-V67 HydrophobicContact CG1-CB 4.45Å; V18-V67 HydrophobicContact CG1-CG1 4.38Å; V18-V67 HydrophobicContact CG2-CG1 4.37Å |
| 19 | L | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.1 | -47.5 | 174.5 | -83.5 | 173 | 0 | 0 | 0 | 111.9 | H15 L16 A22 W23 Y92 N177 I178 T181 | H15-L19 WeakPolarHBondContact O-CB 3.49Å; H15-L19 PolarHBondContact O-N 2.9Å; L16-L19 PolarHBondContact O-N 2.78Å; L19-A22 PolarHBondContact O-N 3.1Å; L19-W23 WeakPolarHBondContact O-CB 3.23Å; L19-W23 PolarHBondContact O-N 3Å; L19-Y92 HydrophobicContact CD2-CE1 3.73Å; L19-N177 HydrophobicContact CD2-CB 4.49Å; L19-I178 HydrophobicContact CB-CD1 4.33Å; L19-I178 HydrophobicContact CB-CG1 4.37Å; L19-T181 HydrophobicContact CD1-CG2 4.37Å |
| 20 | S | 97.5 | Very high | 95.6 | Very high | 49 Ų | 49 | 57 Ų | 57 | 34% | 0.343 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.1 | -41.5 | -179.3 | -58.3 | 0 | 0 | 0 | 0 | 111.7 | L16 L17 V18 G24 | L16-S20 VanDerWaalsContact O-CB 3.3Å; L16-S20 WeakPolarHBondContact O-CB 3.19Å; L16-S20 PolarHBondContact O-N 3.5Å; L16-S20 PolarHBondContact O-OG 3.26Å; L17-S20 PolarHBondContact O-N 3.21Å; V18-S20 PolarHBondContact O-N 3.37Å; S20-G24 PolarHBondContact O-N 3.5Å |
| 21 | F | 98.3 | Very high | 95.7 | Very high | 109 Ų | 109 | 55.9 Ų | 55.9 | 48% | 0.478 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.3 | -50.2 | 174.3 | 170.1 | -103.3 | 0 | 0 | 0 | 111.2 | L17 V18 M25 C60 | L17-F21 VanDerWaalsContact O-CB 3.28Å; L17-F21 WeakPolarHBondContact O-CB 3.42Å; L17-F21 PolarHBondContact O-N 2.94Å; V18-F21 PolarHBondContact O-N 3Å; F21-M25 HydrophobicContact CE1-CE 4.22Å; F21-M25 HydrophobicContact CE1-SD 4.28Å; F21-M25 HydrophobicContact CZ-CE 4.44Å; F21-M25 HydrophobicContact CZ-SD 3.9Å; F21-M25 WeakPolarHBondContact O-CB 3.47Å; F21-M25 PolarHBondContact O-N 3.15Å; F21-C60 HydrophobicContact CE1-CB 4.16Å; F21-C60 HydrophobicContact CZ-CB 4.38Å |
| 22 | A | 97.9 | Very high | 96 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.008 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.7 | -53.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111 | V18 L19 G24 M25 Q26 L61 T174 | V18-A22 WeakPolarHBondContact O-CB 3.38Å; V18-A22 PolarHBondContact O-N 3.06Å; L19-A22 PolarHBondContact O-N 3.1Å; A22-G24 PolarHBondContact O-N 3.03Å; A22-M25 PolarHBondContact O-N 3.44Å; A22-Q26 WeakPolarHBondContact O-CG 3.39Å; A22-Q26 PolarHBondContact O-N 2.94Å; A22-L61 HydrophobicContact CB-CD2 4.3Å; A22-T174 HydrophobicContact CB-CG2 4.17Å |
| 23 | W | 98.1 | Very high | 96.2 | Very high | 82 Ų | 82 | 53.5 Ų | 53.5 | 31% | 0.311 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59 | -49.6 | -179.2 | -177.3 | 84.2 | 0 | 0 | 0 | 112.5 | L19 M25 Q26 L27 F171 T174 T175 I178 | L19-W23 WeakPolarHBondContact O-CB 3.23Å; L19-W23 PolarHBondContact O-N 3Å; W23-M25 VanDerWaalsContact C-N 3.34Å; W23-M25 PolarHBondContact O-N 3.08Å; W23-Q26 PolarHBondContact O-N 3.08Å; W23-L27 HydrophobicContact CH2-CD1 3.49Å; W23-L27 VanDerWaalsContact CH2-CD1 3.49Å; W23-L27 HydrophobicContact CZ2-CD1 3.64Å; W23-L27 HydrophobicContact CZ3-CD1 4.11Å; W23-L27 PolarHBondContact O-N 3.38Å; W23-F171 AromaticContact CD1-CE2 3.94Å; W23-F171 AromaticContact NE1-CE2 3.66Å; W23-F171 AromaticContact NE1-CZ 3.94Å; W23-T174 HydrophobicContact CB-CG2 3.96Å; W23-T175 VanDerWaalsContact CD1-OG1 3.32Å; W23-T175 PolarHBondContact NE1-OG1 3.47Å; W23-I178 HydrophobicContact CB-CD1 4.26Å; W23-I178 HydrophobicContact CG-CG2 4.35Å |
| 24 | G | 98.2 | Very high | 96.2 | Very high | 29 Ų | 29 | 50.5 Ų | 50.5 | 30% | 0.299 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.5 | -40.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S20 A22 L27 W28 | S20-G24 PolarHBondContact O-N 3.5Å; A22-G24 PolarHBondContact O-N 3.03Å; G24-L27 PolarHBondContact O-N 3.34Å; G24-W28 WeakPolarHBondContact O-CB 3.41Å; G24-W28 PolarHBondContact O-N 3.35Å |
| 25 | M | 97.8 | Very high | 96.1 | Very high | 30 Ų | 30 | 51.5 Ų | 51.5 | 15% | 0.148 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 175.3 | -175.4 | -177.4 | 57.3 | 0 | 0 | 111.5 | F21 A22 W23 W28 V29 Y57 C60 L61 | F21-M25 HydrophobicContact CE1-CE 4.22Å; F21-M25 HydrophobicContact CE1-SD 4.28Å; F21-M25 HydrophobicContact CZ-CE 4.44Å; F21-M25 HydrophobicContact CZ-SD 3.9Å; F21-M25 WeakPolarHBondContact O-CB 3.47Å; F21-M25 PolarHBondContact O-N 3.15Å; A22-M25 PolarHBondContact O-N 3.44Å; W23-M25 VanDerWaalsContact C-N 3.34Å; W23-M25 PolarHBondContact O-N 3.08Å; M25-W28 PolarHBondContact O-N 3.49Å; M25-V29 HydrophobicContact CG-CG2 4.13Å; M25-V29 WeakPolarHBondContact O-CB 3.35Å; M25-V29 WeakPolarHBondContact O-CG2 3.3Å; M25-V29 PolarHBondContact O-N 2.93Å; M25-Y57 HydrophobicContact CE-CD2 3.85Å; M25-Y57 HydrophobicContact CE-CE2 4.1Å; M25-Y57 HydrophobicContact CG-CD2 3.71Å; M25-Y57 HydrophobicContact CG-CE2 3.92Å; M25-Y57 HydrophobicContact SD-CD2 3.79Å; M25-Y57 HydrophobicContact SD-CE2 4.4Å; M25-C60 HydrophobicContact CE-CB 3.58Å; M25-C60 HydrophobicContact SD-CB 3.81Å; M25-L61 HydrophobicContact CE-CD2 3.37Å; M25-L61 HydrophobicContact CE-CG 3.66Å |
| 26 | Q | 97.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.009 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 175.9 | -67.2 | -168 | -89.1 | 0 | 0 | 111.8 | A22 W23 S30 Y57 L61 N167 F171 T174 | A22-Q26 WeakPolarHBondContact O-CG 3.39Å; A22-Q26 PolarHBondContact O-N 2.94Å; W23-Q26 PolarHBondContact O-N 3.08Å; Q26-S30 WeakPolarHBondContact O-CB 3.41Å; Q26-S30 PolarHBondContact O-N 3.47Å; Q26-S30 PolarHBondContact O-OG 3.46Å; Q26-Y57 WeakPolarHBondContact CA-OH 3.48Å; Q26-Y57 HydrophobicContact CG-CE2 4.31Å; Q26-Y57 WeakPolarHBondContact CG-OH 3.4Å; Q26-L61 HydrophobicContact CG-CD1 3.91Å; Q26-L61 HydrophobicContact CG-CD2 3.35Å; Q26-L61 HydrophobicContact CG-CG 4.25Å; Q26-N167 PolarHBondContact NE2-O 2.89Å; Q26-F171 HydrophobicContact CB-CD2 3.66Å; Q26-F171 HydrophobicContact CB-CE2 4.31Å; Q26-F171 VanDerWaalsContact NE2-N 3.2Å; Q26-T174 PolarHBondContact OE1-OG1 3.27Å; Q26-T174 VanDerWaalsContact OE1-OG1 3.13Å |
| 27 | L | 97.8 | Very high | 96.1 | Very high | 56 Ų | 56 | 53.1 Ų | 53.1 | 29% | 0.293 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.8 | -51.1 | 178.7 | -173.5 | 144.5 | 0 | 0 | 0 | 110.8 | W23 G24 F31 I32 F171 | W23-L27 HydrophobicContact CH2-CD1 3.49Å; W23-L27 VanDerWaalsContact CH2-CD1 3.49Å; W23-L27 HydrophobicContact CZ2-CD1 3.64Å; W23-L27 HydrophobicContact CZ3-CD1 4.11Å; W23-L27 PolarHBondContact O-N 3.38Å; G24-L27 PolarHBondContact O-N 3.34Å; L27-F31 WeakPolarHBondContact O-CB 3.39Å; L27-F31 PolarHBondContact O-N 3.4Å; L27-F31 VanDerWaalsContact O-N 3.1Å; L27-I32 HydrophobicContact CD2-CD1 3.71Å; L27-I32 HydrophobicContact CD2-CG1 4.49Å; L27-F171 HydrophobicContact CB-CE2 4.33Å |
| 28 | W | 97.9 | Very high | 95.8 | Very high | 151 Ų | 151 | 49.7 Ų | 49.7 | 57% | 0.572 | 26% | 0.257 | S | S | * | . | I | π-helix | trans | -64.3 | -54.2 | -178.5 | -178.8 | -101.9 | 0 | 0 | 0 | 112.4 | G24 M25 S30 I32 A33 | G24-W28 WeakPolarHBondContact O-CB 3.41Å; G24-W28 PolarHBondContact O-N 3.35Å; M25-W28 PolarHBondContact O-N 3.49Å; W28-S30 PolarHBondContact O-N 3.3Å; W28-I32 HydrophobicContact CD2-CB 4.39Å; W28-I32 HydrophobicContact CD2-CG2 4.45Å; W28-I32 HydrophobicContact CE3-CB 4.01Å; W28-I32 HydrophobicContact CE3-CD1 3.63Å; W28-I32 HydrophobicContact CE3-CG1 4.4Å; W28-I32 HydrophobicContact CE3-CG2 3.9Å; W28-I32 HydrophobicContact CH2-CG2 3.97Å; W28-I32 HydrophobicContact CZ3-CB 4.27Å; W28-I32 HydrophobicContact CZ3-CD1 3.98Å; W28-I32 HydrophobicContact CZ3-CG2 3.64Å; W28-I32 WeakPolarHBondContact O-CB 3.36Å; W28-I32 PolarHBondContact O-N 3.48Å; W28-I32 VanDerWaalsContact O-N 3.15Å; W28-A33 PolarHBondContact O-N 3.37Å |
| 29 | V | 96.7 | Very high | 95.4 | Very high | 15 Ų | 15 | 54.1 Ų | 54.1 | 9% | 0.091 | 27% | 0.273 | C | S | . | . | I | π-helix | trans | -66.4 | -43.3 | -173.4 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | M25 G34 L53 F54 Y57 | M25-V29 HydrophobicContact CG-CG2 4.13Å; M25-V29 WeakPolarHBondContact O-CB 3.35Å; M25-V29 WeakPolarHBondContact O-CG2 3.3Å; M25-V29 PolarHBondContact O-N 2.93Å; V29-G34 PolarHBondContact O-N 3.42Å; V29-L53 HydrophobicContact CG1-CD2 4.06Å; V29-L53 HydrophobicContact CG2-CD2 4.43Å; V29-F54 HydrophobicContact CG1-CD1 4.45Å; V29-F54 HydrophobicContact CG1-CE1 4.02Å; V29-Y57 HydrophobicContact CB-CD2 3.95Å; V29-Y57 HydrophobicContact CB-CE2 3.81Å; V29-Y57 HydrophobicContact CG1-CD1 4.34Å; V29-Y57 HydrophobicContact CG1-CD2 3.97Å; V29-Y57 HydrophobicContact CG1-CE1 4.44Å; V29-Y57 HydrophobicContact CG1-CE2 4.07Å; V29-Y57 HydrophobicContact CG1-CG 4.09Å; V29-Y57 HydrophobicContact CG2-CD2 3.84Å; V29-Y57 HydrophobicContact CG2-CE2 4.1Å |
| 30 | S | 93.4 | Very high | 95.2 | Very high | 29 Ų | 29 | 60.6 Ų | 60.6 | 20% | 0.203 | 30% | 0.303 | C | S | . | . | I | π-helix | trans | -82.9 | -40.6 | -171.2 | -47.5 | 0 | 0 | 0 | 0 | 113 | Q26 W28 Y57 N167 | Q26-S30 WeakPolarHBondContact O-CB 3.41Å; Q26-S30 PolarHBondContact O-N 3.47Å; Q26-S30 PolarHBondContact O-OG 3.46Å; W28-S30 PolarHBondContact O-N 3.3Å; S30-Y57 PolarHBondContact OG-OH 3.2Å; S30-N167 PolarHBondContact OG-ND2 2.65Å |
| 31 | F | 93.5 | Very high | 95 | Very high | 96 Ų | 96 | 60.1 Ų | 60.1 | 42% | 0.421 | 30% | 0.298 | S | S | . | . | I | π-helix | trans | -108.3 | -16.7 | -169.3 | -57.7 | -83.5 | 0 | 0 | 0 | 114.1 | L27 F35 F171 | L27-F31 WeakPolarHBondContact O-CB 3.39Å; L27-F31 PolarHBondContact O-N 3.4Å; L27-F31 VanDerWaalsContact O-N 3.1Å; F31-F35 VanDerWaalsContact O-CD2 3.26Å; F31-F35 WeakPolarHBondContact O-CD2 3.38Å; F31-F171 AromaticContact CE2-CD1 3.93Å; F31-F171 HydrophobicContact CE2-CD1 3.93Å; F31-F171 HydrophobicContact CE2-CD2 4.35Å; F31-F171 AromaticContact CE2-CE1 3.89Å; F31-F171 HydrophobicContact CE2-CE1 3.89Å; F31-F171 HydrophobicContact CE2-CE2 4.31Å; F31-F171 HydrophobicContact CE2-CG 4.16Å; F31-F171 HydrophobicContact CE2-CZ 4.08Å; F31-F171 HydrophobicContact CZ-CD1 4.03Å; F31-F171 HydrophobicContact CZ-CE1 4.13Å |
| 32 | I | 96.1 | Very high | 94.7 | Very high | 61 Ų | 61 | 55.9 Ų | 55.9 | 31% | 0.313 | 28% | 0.281 | S | S | . | . | I | π-helix | trans | -113.3 | -65.1 | -179.4 | -57.3 | 174 | 0 | 0 | 0 | 110.4 | L27 W28 G34 F35 T36 | L27-I32 HydrophobicContact CD2-CD1 3.71Å; L27-I32 HydrophobicContact CD2-CG1 4.49Å; W28-I32 HydrophobicContact CD2-CB 4.39Å; W28-I32 HydrophobicContact CD2-CG2 4.45Å; W28-I32 HydrophobicContact CE3-CB 4.01Å; W28-I32 HydrophobicContact CE3-CD1 3.63Å; W28-I32 HydrophobicContact CE3-CG1 4.4Å; W28-I32 HydrophobicContact CE3-CG2 3.9Å; W28-I32 HydrophobicContact CH2-CG2 3.97Å; W28-I32 HydrophobicContact CZ3-CB 4.27Å; W28-I32 HydrophobicContact CZ3-CD1 3.98Å; W28-I32 HydrophobicContact CZ3-CG2 3.64Å; W28-I32 WeakPolarHBondContact O-CB 3.36Å; W28-I32 PolarHBondContact O-N 3.48Å; W28-I32 VanDerWaalsContact O-N 3.15Å; I32-G34 PolarHBondContact O-N 3.49Å; I32-F35 PolarHBondContact O-N 3.25Å; I32-T36 WeakPolarHBondContact O-CB 3.24Å; I32-T36 PolarHBondContact O-N 3.47Å; I32-T36 PolarHBondContact O-OG1 2.97Å |
| 33 | A | 95.1 | Very high | 94.4 | Very high | 17 Ų | 17 | 59.7 Ų | 59.7 | 14% | 0.14 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -60.9 | -45.4 | -173 | 0 | 0 | 0 | 0 | 0 | 112.3 | W28 F35 T36 L37 | W28-A33 PolarHBondContact O-N 3.37Å; A33-F35 PolarHBondContact O-N 3.45Å; A33-T36 PolarHBondContact O-N 3.18Å; A33-L37 WeakPolarHBondContact O-CB 3.42Å; A33-L37 VanDerWaalsContact O-CG 3.3Å; A33-L37 WeakPolarHBondContact O-CG 3.45Å; A33-L37 PolarHBondContact O-N 2.99Å |
| 34 | G | 92 | Very high | 94.2 | Very high | 17 Ų | 17 | 56.1 Ų | 56.1 | 18% | 0.175 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57 | -50.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V29 I32 L37 V38 F46 | V29-G34 PolarHBondContact O-N 3.42Å; I32-G34 PolarHBondContact O-N 3.49Å; G34-L37 PolarHBondContact O-N 3.24Å; G34-V38 WeakPolarHBondContact O-CB 3.29Å; G34-V38 VanDerWaalsContact O-CG1 3.28Å; G34-V38 WeakPolarHBondContact O-CG1 3.41Å; G34-V38 PolarHBondContact O-N 2.95Å; G34-F46 WeakPolarHBondContact O-CE2 3.49Å |
| 35 | F | 92.5 | Very high | 94 | Very high | 116 Ų | 116 | 57.8 Ų | 57.8 | 51% | 0.509 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -69.4 | -35.4 | -179.6 | -71.6 | -79.9 | 0 | 0 | 0 | 113.2 | F31 I32 A33 K39 | F31-F35 VanDerWaalsContact O-CD2 3.26Å; F31-F35 WeakPolarHBondContact O-CD2 3.38Å; I32-F35 PolarHBondContact O-N 3.25Å; A33-F35 PolarHBondContact O-N 3.45Å; F35-K39 WeakPolarHBondContact O-CD 3.4Å; F35-K39 VanDerWaalsContact O-CG 3.29Å; F35-K39 WeakPolarHBondContact O-CG 3.48Å |
| 36 | T | 94.3 | Very high | 93.8 | Very high | 62 Ų | 62 | 57.5 Ų | 57.5 | 38% | 0.38 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.8 | -50.6 | 175.1 | -63.5 | 0 | 0 | 0 | 0 | 110.5 | I32 A33 K39 Q40 | I32-T36 WeakPolarHBondContact O-CB 3.24Å; I32-T36 PolarHBondContact O-N 3.47Å; I32-T36 PolarHBondContact O-OG1 2.97Å; A33-T36 PolarHBondContact O-N 3.18Å; T36-K39 PolarHBondContact O-N 3.4Å; T36-Q40 WeakPolarHBondContact O-CG 3.24Å; T36-Q40 PolarHBondContact O-N 3.41Å |
| 37 | L | 93.1 | Very high | 93.6 | Very high | 53 Ų | 53 | 57.6 Ų | 57.6 | 28% | 0.277 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.5 | -47.3 | -176.8 | -71.5 | 169.6 | 0 | 0 | 0 | 112 | A33 G34 K39 Q40 V41 F46 V49 | A33-L37 WeakPolarHBondContact O-CB 3.42Å; A33-L37 VanDerWaalsContact O-CG 3.3Å; A33-L37 WeakPolarHBondContact O-CG 3.45Å; A33-L37 PolarHBondContact O-N 2.99Å; G34-L37 PolarHBondContact O-N 3.24Å; L37-K39 PolarHBondContact O-N 3.37Å; L37-Q40 PolarHBondContact O-N 2.91Å; L37-V41 HydrophobicContact CB-CG2 4.48Å; L37-V41 VanDerWaalsContact O-CG2 3.23Å; L37-V41 WeakPolarHBondContact O-CG2 3.42Å; L37-V41 PolarHBondContact O-N 2.94Å; L37-F46 HydrophobicContact CB-CD2 3.66Å; L37-F46 HydrophobicContact CB-CE2 3.92Å; L37-V49 HydrophobicContact CD1-CG1 4.03Å |
| 38 | V | 90.3 | Very high | 93.6 | Very high | 32 Ų | 32 | 58.2 Ų | 58.2 | 19% | 0.194 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.4 | -20.3 | -176.5 | 74.3 | 0 | 0 | 0 | 0 | 113.1 | G34 F46 I132 | G34-V38 WeakPolarHBondContact O-CB 3.29Å; G34-V38 VanDerWaalsContact O-CG1 3.28Å; G34-V38 WeakPolarHBondContact O-CG1 3.41Å; G34-V38 PolarHBondContact O-N 2.95Å; V38-F46 HydrophobicContact CB-CD1 4.14Å; V38-F46 HydrophobicContact CB-CD2 4.08Å; V38-F46 HydrophobicContact CB-CE1 3.92Å; V38-F46 HydrophobicContact CB-CE2 3.87Å; V38-F46 HydrophobicContact CB-CG 4.19Å; V38-F46 HydrophobicContact CB-CZ 3.75Å; V38-F46 HydrophobicContact CG2-CD1 3.77Å; V38-F46 HydrophobicContact CG2-CE1 3.69Å; V38-F46 HydrophobicContact CG2-CG 4.2Å; V38-F46 HydrophobicContact CG2-CZ 4.06Å; V38-I132 HydrophobicContact CB-CG1 4.42Å; V38-I132 HydrophobicContact CG1-CD1 3.61Å; V38-I132 HydrophobicContact CG1-CG1 4.01Å; V38-I132 HydrophobicContact CG2-CD1 4.39Å; V38-I132 HydrophobicContact CG2-CG1 3.95Å; V38-I132 WeakPolarHBondContact O-CG1 3.31Å |
| 39 | K | 89.7 | Confident | 93.5 | Very high | 130 Ų | 130 | 53.8 Ų | 53.8 | 57% | 0.565 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -87.3 | -27.4 | 174.4 | -70.7 | 178.1 | -178.4 | 179.6 | 0 | 113.7 | F35 T36 L37 I132 | F35-K39 WeakPolarHBondContact O-CD 3.4Å; F35-K39 VanDerWaalsContact O-CG 3.29Å; F35-K39 WeakPolarHBondContact O-CG 3.48Å; T36-K39 PolarHBondContact O-N 3.4Å; L37-K39 PolarHBondContact O-N 3.37Å; K39-I132 HydrophobicContact CG-CD1 3.88Å; K39-I132 HydrophobicContact CG-CG1 4.38Å |
| 40 | Q | 91.8 | Very high | 93.4 | Very high | 135 Ų | 135 | 54.6 Ų | 54.6 | 63% | 0.631 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -107.2 | -22.5 | -168.4 | -67.6 | -174.1 | 16.2 | 0 | 0 | 114.3 | T36 L37 I130 | T36-Q40 WeakPolarHBondContact O-CG 3.24Å; T36-Q40 PolarHBondContact O-N 3.41Å; L37-Q40 PolarHBondContact O-N 2.91Å; Q40-I130 WeakPolarHBondContact O-CG2 3.46Å |
| 41 | V | 93.4 | Very high | 93.5 | Very high | 39 Ų | 39 | 53.8 Ų | 53.8 | 24% | 0.236 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -114.9 | 173 | 178.5 | -56.8 | 0 | 0 | 0 | 0 | 111.7 | L37 T45 F46 | L37-V41 HydrophobicContact CB-CG2 4.48Å; L37-V41 VanDerWaalsContact O-CG2 3.23Å; L37-V41 WeakPolarHBondContact O-CG2 3.42Å; L37-V41 PolarHBondContact O-N 2.94Å; V41-T45 HydrophobicContact CB-CG2 4.04Å; V41-T45 HydrophobicContact CG1-CG2 4.41Å; V41-T45 HydrophobicContact CG2-CG2 4.1Å; V41-F46 HydrophobicContact CG2-CB 3.89Å |
| 42 | T | 92.5 | Very high | 93.7 | Very high | 21 Ų | 21 | 56.4 Ų | 56.4 | 13% | 0.129 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -70 | 156.6 | 174.6 | 70.4 | 0 | 0 | 0 | 0 | 111.5 | H44 T45 F46 G127 N128 Q129 I130 | T42-H44 VanDerWaalsContact C-N 3.27Å; T42-H44 PolarHBondContact O-N 3.39Å; T42-T45 PolarHBondContact O-N 3.38Å; T42-T45 WeakPolarHBondContact OG1-CB 3.43Å; T42-T45 PolarHBondContact OG1-N 3.34Å; T42-T45 PolarHBondContact OG1-OG1 3.33Å; T42-F46 WeakPolarHBondContact O-CB 3.32Å; T42-F46 PolarHBondContact O-N 2.79Å; T42-G127 WeakPolarHBondContact CB-O 3.22Å; T42-N128 WeakPolarHBondContact CG2-O 3.37Å; T42-Q129 VanDerWaalsContact CA-O 3.29Å; T42-Q129 WeakPolarHBondContact CA-O 3.35Å; T42-I130 HydrophobicContact CG2-CG1 3.84Å |
| 43 | L | 90.2 | Very high | 93.7 | Very high | 81 Ų | 81 | 57.2 Ų | 57.2 | 42% | 0.424 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -56.8 | -41.7 | 178.3 | -178.6 | 63.6 | 0 | 0 | 0 | 112 | F46 G47 | L43-F46 PolarHBondContact O-N 3.31Å; L43-G47 PolarHBondContact O-N 3.36Å |
| 44 | H | 93.8 | Very high | 93.8 | Very high | 7 Ų | 7 | 58.1 Ų | 58.1 | 3% | 0.032 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.3 | -38.2 | 179.5 | -69.8 | 179 | 0 | 0 | 0 | 112.8 | T42 L48 E121 L126 G127 | T42-H44 VanDerWaalsContact C-N 3.27Å; T42-H44 PolarHBondContact O-N 3.39Å; H44-L48 VanDerWaalsContact O-CB 3.29Å; H44-L48 WeakPolarHBondContact O-CB 3.42Å; H44-L48 PolarHBondContact O-N 2.75Å; H44-E121 IonicContact CD2-OE2 3.5Å; H44-E121 PolarHBondContact CD2-OE2 3.26Å; H44-E121 IonicContact CE1-OE2 3.93Å; H44-E121 IonicContact NE2-OE2 2.78Å; H44-E121 PolarHBondContact NE2-OE2 3.4Å; H44-L126 PolarHBondContact CE1-O 3.39Å; H44-L126 VanDerWaalsContact CE1-O 3.24Å; H44-G127 PolarHBondContact N-O 2.95Å |
| 45 | T | 94.6 | Very high | 94 | Very high | 64 Ų | 64 | 60 Ų | 60 | 39% | 0.393 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67 | -42.6 | 174.6 | -63 | 0 | 0 | 0 | 0 | 110.7 | V41 T42 L48 V49 | V41-T45 HydrophobicContact CB-CG2 4.04Å; V41-T45 HydrophobicContact CG1-CG2 4.41Å; V41-T45 HydrophobicContact CG2-CG2 4.1Å; T42-T45 PolarHBondContact O-N 3.38Å; T42-T45 WeakPolarHBondContact OG1-CB 3.43Å; T42-T45 PolarHBondContact OG1-N 3.34Å; T42-T45 PolarHBondContact OG1-OG1 3.33Å; T45-L48 PolarHBondContact O-N 3.48Å; T45-V49 WeakPolarHBondContact O-CG2 3.29Å; T45-V49 PolarHBondContact O-N 2.91Å |
| 46 | F | 93.8 | Very high | 94.3 | Very high | 23 Ų | 23 | 58.9 Ų | 58.9 | 10% | 0.101 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.9 | -52.3 | 175.4 | 176.6 | -117 | 0 | 0 | 0 | 111.7 | G34 L37 V38 V41 T42 L43 L48 V49 Q50 | G34-F46 WeakPolarHBondContact O-CE2 3.49Å; L37-F46 HydrophobicContact CB-CD2 3.66Å; L37-F46 HydrophobicContact CB-CE2 3.92Å; V38-F46 HydrophobicContact CB-CD1 4.14Å; V38-F46 HydrophobicContact CB-CD2 4.08Å; V38-F46 HydrophobicContact CB-CE1 3.92Å; V38-F46 HydrophobicContact CB-CE2 3.87Å; V38-F46 HydrophobicContact CB-CG 4.19Å; V38-F46 HydrophobicContact CB-CZ 3.75Å; V38-F46 HydrophobicContact CG2-CD1 3.77Å; V38-F46 HydrophobicContact CG2-CE1 3.69Å; V38-F46 HydrophobicContact CG2-CG 4.2Å; V38-F46 HydrophobicContact CG2-CZ 4.06Å; V41-F46 HydrophobicContact CG2-CB 3.89Å; T42-F46 WeakPolarHBondContact O-CB 3.32Å; T42-F46 PolarHBondContact O-N 2.79Å; L43-F46 PolarHBondContact O-N 3.31Å; F46-L48 VanDerWaalsContact C-N 3.3Å; F46-L48 PolarHBondContact O-N 2.89Å; F46-V49 PolarHBondContact O-N 3.16Å; F46-Q50 HydrophobicContact CD2-CG 4.36Å; F46-Q50 VanDerWaalsContact CE1-CD 3.46Å; F46-Q50 HydrophobicContact CE1-CG 4.46Å; F46-Q50 HydrophobicContact CE2-CG 4.04Å; F46-Q50 HydrophobicContact CZ-CG 4.11Å; F46-Q50 WeakPolarHBondContact O-CG 3.31Å; F46-Q50 PolarHBondContact O-N 3.13Å |
| 47 | G | 93.9 | Very high | 94.5 | Very high | 4 Ų | 4 | 56.3 Ų | 56.3 | 4% | 0.041 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.4 | -38.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L43 Q50 S51 M114 | L43-G47 PolarHBondContact O-N 3.36Å; G47-Q50 PolarHBondContact O-N 3.32Å; G47-S51 WeakPolarHBondContact O-CB 3.43Å; G47-S51 PolarHBondContact O-N 3.36Å; G47-M114 VanDerWaalsContact O-CE 3.24Å; G47-M114 WeakPolarHBondContact O-CE 3.42Å |
| 48 | L | 96.1 | Very high | 94.7 | Very high | 70 Ų | 70 | 54 Ų | 54 | 37% | 0.366 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.9 | -47.5 | 175.5 | -178.5 | 60.7 | 0 | 0 | 0 | 112 | H44 T45 F46 Q50 S51 K52 F115 | H44-L48 VanDerWaalsContact O-CB 3.29Å; H44-L48 WeakPolarHBondContact O-CB 3.42Å; H44-L48 PolarHBondContact O-N 2.75Å; T45-L48 PolarHBondContact O-N 3.48Å; F46-L48 VanDerWaalsContact C-N 3.3Å; F46-L48 PolarHBondContact O-N 2.89Å; L48-Q50 VanDerWaalsContact C-N 3.34Å; L48-Q50 PolarHBondContact O-N 2.99Å; L48-S51 PolarHBondContact O-N 3.39Å; L48-S51 PolarHBondContact O-OG 3.16Å; L48-K52 PolarHBondContact O-N 2.93Å; L48-F115 HydrophobicContact CD1-CE1 4.4Å; L48-F115 HydrophobicContact CD1-CZ 4.31Å |
| 49 | V | 96.3 | Very high | 95.1 | Very high | 58 Ų | 58 | 58 Ų | 58 | 35% | 0.352 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.2 | -46.1 | 177 | 171.3 | 0 | 0 | 0 | 0 | 110.4 | L37 T45 F46 S51 K52 L53 | L37-V49 HydrophobicContact CD1-CG1 4.03Å; T45-V49 WeakPolarHBondContact O-CG2 3.29Å; T45-V49 PolarHBondContact O-N 2.91Å; F46-V49 PolarHBondContact O-N 3.16Å; V49-S51 VanDerWaalsContact C-N 3.33Å; V49-S51 PolarHBondContact O-N 3.06Å; V49-K52 PolarHBondContact O-N 2.92Å; V49-K52 VanDerWaalsContact O-N 3.15Å; V49-L53 WeakPolarHBondContact O-CB 3.49Å; V49-L53 PolarHBondContact O-N 3.27Å |
| 50 | Q | 94.8 | Very high | 95.5 | Very high | 32 Ų | 32 | 53.9 Ų | 53.9 | 15% | 0.15 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.3 | -42.1 | 176.9 | -71.8 | -173.7 | -48.4 | 0 | 0 | 112.3 | F46 G47 L48 K52 L53 F54 | F46-Q50 HydrophobicContact CD2-CG 4.36Å; F46-Q50 VanDerWaalsContact CE1-CD 3.46Å; F46-Q50 HydrophobicContact CE1-CG 4.46Å; F46-Q50 HydrophobicContact CE2-CG 4.04Å; F46-Q50 HydrophobicContact CZ-CG 4.11Å; F46-Q50 WeakPolarHBondContact O-CG 3.31Å; F46-Q50 PolarHBondContact O-N 3.13Å; G47-Q50 PolarHBondContact O-N 3.32Å; L48-Q50 VanDerWaalsContact C-N 3.34Å; L48-Q50 PolarHBondContact O-N 2.99Å; Q50-K52 PolarHBondContact O-N 2.93Å; Q50-K52 VanDerWaalsContact O-N 3.11Å; Q50-L53 PolarHBondContact O-N 3.11Å; Q50-F54 HydrophobicContact CB-CD2 4Å; Q50-F54 HydrophobicContact CB-CE1 4.46Å; Q50-F54 HydrophobicContact CB-CE2 3.93Å; Q50-F54 HydrophobicContact CB-CG 4.32Å; Q50-F54 HydrophobicContact CB-CZ 4.21Å; Q50-F54 HydrophobicContact CG-CD2 4.47Å; Q50-F54 HydrophobicContact CG-CE1 4.13Å; Q50-F54 HydrophobicContact CG-CE2 3.95Å; Q50-F54 HydrophobicContact CG-CZ 3.79Å; Q50-F54 VanDerWaalsContact O-CB 3.22Å; Q50-F54 WeakPolarHBondContact O-CB 3.28Å; Q50-F54 WeakPolarHBondContact O-CG 3.42Å; Q50-F54 PolarHBondContact O-N 3.15Å |
| 51 | S | 96.3 | Very high | 95.9 | Very high | 12 Ų | 12 | 47.7 Ų | 47.7 | 8% | 0.084 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.6 | -25 | 178.8 | 78.2 | 0 | 0 | 0 | 0 | 114 | G47 L48 V49 P55 | G47-S51 WeakPolarHBondContact O-CB 3.43Å; G47-S51 PolarHBondContact O-N 3.36Å; L48-S51 PolarHBondContact O-N 3.39Å; L48-S51 PolarHBondContact O-OG 3.16Å; V49-S51 VanDerWaalsContact C-N 3.33Å; V49-S51 PolarHBondContact O-N 3.06Å; S51-P55 WeakPolarHBondContact O-CD 3.22Å; S51-P55 WeakPolarHBondContact O-CG 3.48Å |
| 52 | K | 97.3 | Very high | 96.1 | Very high | 150 Ų | 150 | 47.7 Ų | 47.7 | 65% | 0.652 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -95 | -38.5 | 178.2 | -58.7 | -56.8 | -179.1 | -178.2 | 0 | 112.1 | L48 V49 Q50 | L48-K52 PolarHBondContact O-N 2.93Å; V49-K52 PolarHBondContact O-N 2.92Å; V49-K52 VanDerWaalsContact O-N 3.15Å; Q50-K52 PolarHBondContact O-N 2.93Å; Q50-K52 VanDerWaalsContact O-N 3.11Å |
| 53 | L | 96.5 | Very high | 96.4 | Very high | 78 Ų | 78 | 48.4 Ų | 48.4 | 41% | 0.408 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -77.8 | -43.9 | -176.5 | -166 | 82.8 | 0 | 0 | 0 | 112.4 | V29 V49 Q50 V56 Y57 | V29-L53 HydrophobicContact CG1-CD2 4.06Å; V29-L53 HydrophobicContact CG2-CD2 4.43Å; V49-L53 WeakPolarHBondContact O-CB 3.49Å; V49-L53 PolarHBondContact O-N 3.27Å; Q50-L53 PolarHBondContact O-N 3.11Å; L53-V56 PolarHBondContact O-N 3.22Å; L53-Y57 WeakPolarHBondContact O-CB 3.45Å; L53-Y57 PolarHBondContact O-N 2.92Å |
| 54 | F | 96.2 | Very high | 96.8 | Very high | 37 Ų | 37 | 45.1 Ų | 45.1 | 16% | 0.162 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.3 | -40.4 | -171.4 | -75.1 | -2.5 | 0 | 0 | 0 | 114.5 | V29 Q50 V56 Y57 F58 | V29-F54 HydrophobicContact CG1-CD1 4.45Å; V29-F54 HydrophobicContact CG1-CE1 4.02Å; Q50-F54 HydrophobicContact CB-CD2 4Å; Q50-F54 HydrophobicContact CB-CE1 4.46Å; Q50-F54 HydrophobicContact CB-CE2 3.93Å; Q50-F54 HydrophobicContact CB-CG 4.32Å; Q50-F54 HydrophobicContact CB-CZ 4.21Å; Q50-F54 HydrophobicContact CG-CD2 4.47Å; Q50-F54 HydrophobicContact CG-CE1 4.13Å; Q50-F54 HydrophobicContact CG-CE2 3.95Å; Q50-F54 HydrophobicContact CG-CZ 3.79Å; Q50-F54 VanDerWaalsContact O-CB 3.22Å; Q50-F54 WeakPolarHBondContact O-CB 3.28Å; Q50-F54 WeakPolarHBondContact O-CG 3.42Å; Q50-F54 PolarHBondContact O-N 3.15Å; F54-V56 PolarHBondContact O-N 3.27Å; F54-Y57 PolarHBondContact O-N 3.48Å; F54-F58 HydrophobicContact CB-CD2 4.24Å; F54-F58 HydrophobicContact CB-CE2 3.83Å; F54-F58 HydrophobicContact CB-CZ 4.43Å; F54-F58 HydrophobicContact CD2-CE2 4.5Å; F54-F58 HydrophobicContact CG-CE2 4.38Å; F54-F58 WeakPolarHBondContact O-CB 3.36Å; F54-F58 WeakPolarHBondContact O-CD2 3.37Å; F54-F58 VanDerWaalsContact O-CG 3.27Å; F54-F58 WeakPolarHBondContact O-CG 3.41Å; F54-F58 PolarHBondContact O-N 2.88Å |
| 55 | P | 97.4 | Very high | 97 | Very high | 55 Ų | 55 | 45 Ų | 45 | 36% | 0.357 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -56.6 | -50.8 | 173.3 | -26.1 | 35.6 | 0 | 0 | 0 | 111.7 | S51 Y57 F58 Y59 | S51-P55 WeakPolarHBondContact O-CD 3.22Å; S51-P55 WeakPolarHBondContact O-CG 3.48Å; P55-Y57 PolarHBondContact O-N 2.93Å; P55-F58 PolarHBondContact O-N 3.11Å; P55-Y59 WeakPolarHBondContact O-CD2 3.48Å; P55-Y59 PolarHBondContact O-N 3.3Å |
| 56 | V | 98 | Very high | 97.1 | Very high | 93 Ų | 93 | 47.9 Ų | 47.9 | 56% | 0.564 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -59.5 | -48.5 | 179.1 | -179.1 | 0 | 0 | 0 | 0 | 110.6 | L53 F54 F58 Y59 C60 | L53-V56 PolarHBondContact O-N 3.22Å; F54-V56 PolarHBondContact O-N 3.27Å; V56-F58 PolarHBondContact O-N 3.25Å; V56-Y59 PolarHBondContact O-N 3.45Å; V56-C60 WeakPolarHBondContact O-CB 3.22Å; V56-C60 PolarHBondContact O-N 2.86Å; V56-C60 PolarHBondContact O-SG 2.9Å |
| 57 | Y | 98.3 | Very high | 97.3 | Very high | 8 Ų | 8 | 49.9 Ų | 49.9 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -54.3 | -51.1 | 176.8 | 167.1 | -107.6 | 0 | 0 | 0 | 112.6 | M25 Q26 V29 S30 L53 F54 P55 Y59 C60 L61 N167 | M25-Y57 HydrophobicContact CE-CD2 3.85Å; M25-Y57 HydrophobicContact CE-CE2 4.1Å; M25-Y57 HydrophobicContact CG-CD2 3.71Å; M25-Y57 HydrophobicContact CG-CE2 3.92Å; M25-Y57 HydrophobicContact SD-CD2 3.79Å; M25-Y57 HydrophobicContact SD-CE2 4.4Å; Q26-Y57 WeakPolarHBondContact CA-OH 3.48Å; Q26-Y57 HydrophobicContact CG-CE2 4.31Å; Q26-Y57 WeakPolarHBondContact CG-OH 3.4Å; V29-Y57 HydrophobicContact CB-CD2 3.95Å; V29-Y57 HydrophobicContact CB-CE2 3.81Å; V29-Y57 HydrophobicContact CG1-CD1 4.34Å; V29-Y57 HydrophobicContact CG1-CD2 3.97Å; V29-Y57 HydrophobicContact CG1-CE1 4.44Å; V29-Y57 HydrophobicContact CG1-CE2 4.07Å; V29-Y57 HydrophobicContact CG1-CG 4.09Å; V29-Y57 HydrophobicContact CG2-CD2 3.84Å; V29-Y57 HydrophobicContact CG2-CE2 4.1Å; S30-Y57 PolarHBondContact OG-OH 3.2Å; L53-Y57 WeakPolarHBondContact O-CB 3.45Å; L53-Y57 PolarHBondContact O-N 2.92Å; F54-Y57 PolarHBondContact O-N 3.48Å; P55-Y57 PolarHBondContact O-N 2.93Å; Y57-Y59 PolarHBondContact O-N 3.37Å; Y57-C60 PolarHBondContact O-N 3.01Å; Y57-L61 HydrophobicContact CD1-CD1 4.37Å; Y57-L61 HydrophobicContact CD2-CD1 4.49Å; Y57-L61 HydrophobicContact CD2-CG 4.5Å; Y57-L61 HydrophobicContact CE1-CD1 3.74Å; Y57-L61 HydrophobicContact CE2-CD1 3.88Å; Y57-L61 HydrophobicContact CE2-CD2 4.41Å; Y57-L61 HydrophobicContact CE2-CG 4.15Å; Y57-L61 VanDerWaalsContact CZ-CD1 3.48Å; Y57-L61 WeakPolarHBondContact O-CG 3.46Å; Y57-L61 PolarHBondContact O-N 3.34Å; Y57-N167 WeakPolarHBondContact CE1-OD1 3.37Å; Y57-N167 PolarHBondContact OH-OD1 3.4Å |
| 58 | F | 98.4 | Very high | 97.4 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67 | -37.1 | -178.4 | -64.4 | -44.6 | 0 | 0 | 0 | 112.8 | F54 P55 V56 L61 L62 N102 A103 | F54-F58 HydrophobicContact CB-CD2 4.24Å; F54-F58 HydrophobicContact CB-CE2 3.83Å; F54-F58 HydrophobicContact CB-CZ 4.43Å; F54-F58 HydrophobicContact CD2-CE2 4.5Å; F54-F58 HydrophobicContact CG-CE2 4.38Å; F54-F58 WeakPolarHBondContact O-CB 3.36Å; F54-F58 WeakPolarHBondContact O-CD2 3.37Å; F54-F58 VanDerWaalsContact O-CG 3.27Å; F54-F58 WeakPolarHBondContact O-CG 3.41Å; F54-F58 PolarHBondContact O-N 2.88Å; P55-F58 PolarHBondContact O-N 3.11Å; V56-F58 PolarHBondContact O-N 3.25Å; F58-L61 PolarHBondContact O-N 3.15Å; F58-L62 WeakPolarHBondContact O-CB 3.49Å; F58-L62 PolarHBondContact O-N 3.5Å; F58-N102 HydrophobicContact CB-CB 4.41Å; F58-N102 HydrophobicContact CD1-CB 3.64Å; F58-N102 HydrophobicContact CD2-CB 4.02Å; F58-N102 HydrophobicContact CE1-CB 3.75Å; F58-N102 HydrophobicContact CE2-CB 4.13Å; F58-N102 HydrophobicContact CG-CB 3.79Å; F58-N102 HydrophobicContact CZ-CB 4Å; F58-A103 HydrophobicContact CB-CB 3.86Å |
| 59 | Y | 98.5 | Very high | 97.4 | Very high | 115 Ų | 115 | 47.7 Ų | 47.7 | 45% | 0.451 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -69.8 | -36.9 | 174.4 | -81.6 | -72.7 | 0 | 0 | 0 | 112.7 | P55 V56 Y57 L61 L62 G63 A103 Q104 | P55-Y59 WeakPolarHBondContact O-CD2 3.48Å; P55-Y59 PolarHBondContact O-N 3.3Å; V56-Y59 PolarHBondContact O-N 3.45Å; Y57-Y59 PolarHBondContact O-N 3.37Å; Y59-L61 VanDerWaalsContact C-N 3.31Å; Y59-L61 PolarHBondContact O-N 2.93Å; Y59-L62 HydrophobicContact CD1-CD2 4.27Å; Y59-L62 PolarHBondContact O-N 3.41Å; Y59-G63 PolarHBondContact O-N 3.31Å; Y59-A103 HydrophobicContact CD1-CB 4.32Å; Y59-A103 HydrophobicContact CD2-CB 4.38Å; Y59-A103 HydrophobicContact CE1-CB 4.23Å; Y59-A103 HydrophobicContact CE2-CB 4.25Å; Y59-A103 HydrophobicContact CG-CB 4.41Å; Y59-Q104 VanDerWaalsContact CE1-NE2 3.28Å; Y59-Q104 VanDerWaalsContact CZ-NE2 3.31Å; Y59-Q104 PolarHBondContact OH-NE2 3.5Å |
| 60 | C | 98.4 | Very high | 97.3 | Very high | 44 Ų | 44 | 46.9 Ų | 46.9 | 30% | 0.297 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 171.4 | -74.8 | 0 | 0 | 0 | 0 | 111.2 | F21 M25 V56 Y57 S64 | F21-C60 HydrophobicContact CE1-CB 4.16Å; F21-C60 HydrophobicContact CZ-CB 4.38Å; M25-C60 HydrophobicContact CE-CB 3.58Å; M25-C60 HydrophobicContact SD-CB 3.81Å; V56-C60 WeakPolarHBondContact O-CB 3.22Å; V56-C60 PolarHBondContact O-N 2.86Å; V56-C60 PolarHBondContact O-SG 2.9Å; Y57-C60 PolarHBondContact O-N 3.01Å; C60-S64 VanDerWaalsContact O-CB 3.27Å; C60-S64 WeakPolarHBondContact O-CB 3.31Å; C60-S64 PolarHBondContact O-N 3.45Å; C60-S64 PolarHBondContact O-OG 3Å |
| 61 | L | 98.4 | Very high | 97.2 | Very high | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.8 | -44.5 | 173.8 | -68.6 | -178.9 | 0 | 0 | 0 | 112.5 | A22 M25 Q26 Y57 F58 Y59 S64 N65 A99 | A22-L61 HydrophobicContact CB-CD2 4.3Å; M25-L61 HydrophobicContact CE-CD2 3.37Å; M25-L61 HydrophobicContact CE-CG 3.66Å; Q26-L61 HydrophobicContact CG-CD1 3.91Å; Q26-L61 HydrophobicContact CG-CD2 3.35Å; Q26-L61 HydrophobicContact CG-CG 4.25Å; Y57-L61 HydrophobicContact CD1-CD1 4.37Å; Y57-L61 HydrophobicContact CD2-CD1 4.49Å; Y57-L61 HydrophobicContact CD2-CG 4.5Å; Y57-L61 HydrophobicContact CE1-CD1 3.74Å; Y57-L61 HydrophobicContact CE2-CD1 3.88Å; Y57-L61 HydrophobicContact CE2-CD2 4.41Å; Y57-L61 HydrophobicContact CE2-CG 4.15Å; Y57-L61 VanDerWaalsContact CZ-CD1 3.48Å; Y57-L61 WeakPolarHBondContact O-CG 3.46Å; Y57-L61 PolarHBondContact O-N 3.34Å; F58-L61 PolarHBondContact O-N 3.15Å; Y59-L61 VanDerWaalsContact C-N 3.31Å; Y59-L61 PolarHBondContact O-N 2.93Å; L61-S64 PolarHBondContact O-N 3.44Å; L61-N65 VanDerWaalsContact O-CB 3.3Å; L61-N65 WeakPolarHBondContact O-CB 3.28Å; L61-N65 PolarHBondContact O-N 2.81Å; L61-N65 PolarHBondContact O-ND2 3.38Å; L61-A99 HydrophobicContact CB-CB 4.01Å |
| 62 | L | 98.6 | Very high | 96.9 | Very high | 39 Ų | 39 | 47 Ų | 47 | 20% | 0.204 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.3 | -49.6 | 178.9 | 176.7 | 58.4 | 0 | 0 | 0 | 110.6 | F58 Y59 F66 V96 A99 | F58-L62 WeakPolarHBondContact O-CB 3.49Å; F58-L62 PolarHBondContact O-N 3.5Å; Y59-L62 HydrophobicContact CD1-CD2 4.27Å; Y59-L62 PolarHBondContact O-N 3.41Å; L62-F66 WeakPolarHBondContact O-CB 3.34Å; L62-F66 PolarHBondContact O-N 2.87Å; L62-V96 HydrophobicContact CD1-CG1 3.91Å; L62-A99 HydrophobicContact CB-CB 4.03Å; L62-A99 HydrophobicContact CD1-CB 4.47Å |
| 63 | G | 98.4 | Very high | 96.6 | Very high | 36 Ų | 36 | 41.9 Ų | 41.9 | 37% | 0.371 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.6 | -46.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y59 F66 V67 | Y59-G63 PolarHBondContact O-N 3.31Å; G63-F66 PolarHBondContact O-N 3.1Å; G63-V67 WeakPolarHBondContact O-CB 3.44Å; G63-V67 VanDerWaalsContact O-CG2 3.31Å; G63-V67 WeakPolarHBondContact O-CG2 3.2Å; G63-V67 PolarHBondContact O-N 3.35Å |
| 64 | S | 98.1 | Very high | 96.3 | Very high | 13 Ų | 13 | 40.8 Ų | 40.8 | 9% | 0.091 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.8 | -44.1 | -178.6 | -55.7 | 0 | 0 | 0 | 0 | 112.3 | V18 C60 L61 V67 S68 | V18-S64 WeakPolarHBondContact CG1-O 3.41Å; C60-S64 VanDerWaalsContact O-CB 3.27Å; C60-S64 WeakPolarHBondContact O-CB 3.31Å; C60-S64 PolarHBondContact O-N 3.45Å; C60-S64 PolarHBondContact O-OG 3Å; L61-S64 PolarHBondContact O-N 3.44Å; S64-V67 PolarHBondContact O-N 2.91Å; S64-S68 WeakPolarHBondContact O-CB 3.26Å; S64-S68 PolarHBondContact O-N 3.33Å; S64-S68 PolarHBondContact O-OG 3.26Å |
| 65 | N | 98.1 | Very high | 95.7 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.3 | -36.7 | 177 | -75.8 | -64.7 | 0 | 0 | 0 | 111.8 | L61 S68 L69 A95 V96 | L61-N65 VanDerWaalsContact O-CB 3.3Å; L61-N65 WeakPolarHBondContact O-CB 3.28Å; L61-N65 PolarHBondContact O-N 2.81Å; L61-N65 PolarHBondContact O-ND2 3.38Å; N65-S68 PolarHBondContact O-N 3.44Å; N65-L69 WeakPolarHBondContact O-CB 3.37Å; N65-L69 PolarHBondContact O-N 3.06Å; N65-A95 HydrophobicContact CB-CB 4.2Å; N65-A95 VanDerWaalsContact OD1-CB 3.31Å; N65-A95 WeakPolarHBondContact OD1-CB 3.32Å; N65-V96 VanDerWaalsContact C-CG2 3.5Å; N65-V96 HydrophobicContact CB-CG2 3.73Å |
| 66 | F | 98.3 | Very high | 95 | Very high | 125 Ų | 125 | 41.5 Ų | 41.5 | 55% | 0.548 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.4 | -45.6 | 175.8 | 178.4 | -95.9 | 0 | 0 | 0 | 111.6 | L62 G63 S68 L69 A70 V96 | L62-F66 WeakPolarHBondContact O-CB 3.34Å; L62-F66 PolarHBondContact O-N 2.87Å; G63-F66 PolarHBondContact O-N 3.1Å; F66-S68 VanDerWaalsContact C-N 3.33Å; F66-S68 PolarHBondContact O-N 3.1Å; F66-L69 PolarHBondContact O-N 2.98Å; F66-A70 VanDerWaalsContact O-CB 3.3Å; F66-A70 WeakPolarHBondContact O-CB 3.18Å; F66-A70 PolarHBondContact O-N 3.3Å; F66-V96 HydrophobicContact CB-CG2 4.33Å |
| 67 | V | 97.4 | Very high | 93.9 | Very high | 65 Ų | 65 | 39 Ų | 39 | 39% | 0.394 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.8 | -45.5 | 175 | 168.9 | 0 | 0 | 0 | 0 | 110.5 | V18 G63 S64 L69 A70 V71 | V18-V67 HydrophobicContact CG1-CB 4.45Å; V18-V67 HydrophobicContact CG1-CG1 4.38Å; V18-V67 HydrophobicContact CG2-CG1 4.37Å; G63-V67 WeakPolarHBondContact O-CB 3.44Å; G63-V67 VanDerWaalsContact O-CG2 3.31Å; G63-V67 WeakPolarHBondContact O-CG2 3.2Å; G63-V67 PolarHBondContact O-N 3.35Å; S64-V67 PolarHBondContact O-N 2.91Å; V67-L69 PolarHBondContact O-N 3.43Å; V67-A70 PolarHBondContact O-N 2.88Å; V67-V71 HydrophobicContact CG1-CG2 4.39Å; V67-V71 WeakPolarHBondContact O-CG2 3.38Å; V67-V71 PolarHBondContact O-N 3.46Å |
| 68 | S | 96.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 179 | -53.2 | 0 | 0 | 0 | 0 | 111.6 | H15 S64 N65 F66 A70 Y72 | H15-S68 WeakPolarHBondContact NE2-CB 3.42Å; S64-S68 WeakPolarHBondContact O-CB 3.26Å; S64-S68 PolarHBondContact O-N 3.33Å; S64-S68 PolarHBondContact O-OG 3.26Å; N65-S68 PolarHBondContact O-N 3.44Å; F66-S68 VanDerWaalsContact C-N 3.33Å; F66-S68 PolarHBondContact O-N 3.1Å; S68-A70 PolarHBondContact O-N 3.46Å; S68-Y72 VanDerWaalsContact O-CB 3.22Å; S68-Y72 WeakPolarHBondContact O-CB 3.43Å; S68-Y72 PolarHBondContact O-N 3.01Å |
| 69 | L | 96.1 | Very high | 91.1 | Very high | 28 Ų | 28 | 56.8 Ų | 56.8 | 15% | 0.147 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.8 | -46.2 | 173.7 | 178.8 | 60.7 | 0 | 0 | 0 | 111.9 | N65 F66 V67 Y72 A73 M89 F93 V96 | N65-L69 WeakPolarHBondContact O-CB 3.37Å; N65-L69 PolarHBondContact O-N 3.06Å; F66-L69 PolarHBondContact O-N 2.98Å; V67-L69 PolarHBondContact O-N 3.43Å; L69-Y72 PolarHBondContact O-N 3.2Å; L69-A73 VanDerWaalsContact O-CB 3.23Å; L69-A73 WeakPolarHBondContact O-CB 3.41Å; L69-A73 PolarHBondContact O-N 3.32Å; L69-M89 HydrophobicContact CD1-CG 4.22Å; L69-F93 HydrophobicContact CD1-CB 4.47Å; L69-F93 HydrophobicContact CD2-CB 4.45Å; L69-F93 HydrophobicContact CD2-CD2 4.03Å; L69-V96 HydrophobicContact CB-CG2 4.46Å; L69-V96 HydrophobicContact CD2-CG2 4.19Å |
| 70 | A | 94.7 | Very high | 90 | Very high | 41 Ų | 41 | 57.8 Ų | 57.8 | 34% | 0.339 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.3 | -46.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | F66 V67 S68 A73 V74 | F66-A70 VanDerWaalsContact O-CB 3.3Å; F66-A70 WeakPolarHBondContact O-CB 3.18Å; F66-A70 PolarHBondContact O-N 3.3Å; V67-A70 PolarHBondContact O-N 2.88Å; S68-A70 PolarHBondContact O-N 3.46Å; A70-A73 PolarHBondContact O-N 3.03Å; A70-V74 VanDerWaalsContact O-CG2 3.25Å; A70-V74 WeakPolarHBondContact O-CG2 3.48Å; A70-V74 PolarHBondContact O-N 2.91Å; A70-V74 VanDerWaalsContact O-N 3.09Å |
| 71 | V | 92.3 | Very high | 89 | Confident | 34 Ų | 34 | 57.4 Ų | 57.4 | 21% | 0.206 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.9 | -50.8 | 173.8 | 172.1 | 0 | 0 | 0 | 0 | 109.6 | V11 H15 V67 A73 V74 Y75 | V11-V71 HydrophobicContact CG1-CG1 3.91Å; H15-V71 HydrophobicContact CB-CG1 4.2Å; V67-V71 HydrophobicContact CG1-CG2 4.39Å; V67-V71 WeakPolarHBondContact O-CG2 3.38Å; V67-V71 PolarHBondContact O-N 3.46Å; V71-A73 VanDerWaalsContact C-N 3.35Å; V71-A73 PolarHBondContact O-N 2.98Å; V71-V74 PolarHBondContact O-N 2.87Å; V71-Y75 HydrophobicContact CG1-CD2 4.19Å; V71-Y75 HydrophobicContact CG1-CE2 4.27Å; V71-Y75 VanDerWaalsContact O-CD2 3.25Å; V71-Y75 WeakPolarHBondContact O-CD2 3.31Å; V71-Y75 PolarHBondContact O-N 2.99Å |
| 72 | Y | 90.4 | Very high | 88.4 | Confident | 12 Ų | 12 | 61.1 Ų | 61.1 | 5% | 0.047 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.8 | -44.9 | -178 | -162.9 | -90.6 | 0 | 0 | 0 | 112.5 | S68 L69 V74 Y75 H76 E85 Q88 M89 Y92 | S68-Y72 VanDerWaalsContact O-CB 3.22Å; S68-Y72 WeakPolarHBondContact O-CB 3.43Å; S68-Y72 PolarHBondContact O-N 3.01Å; L69-Y72 PolarHBondContact O-N 3.2Å; Y72-V74 VanDerWaalsContact C-N 3.34Å; Y72-V74 PolarHBondContact O-N 2.83Å; Y72-Y75 PolarHBondContact O-N 3.45Å; Y72-H76 HydrophobicContact CD1-CB 4.37Å; Y72-H76 AromaticContact CD1-ND1 3.91Å; Y72-H76 AromaticContact CD2-CE1 3.92Å; Y72-H76 AromaticContact CD2-ND1 3.88Å; Y72-H76 HydrophobicContact CE1-CB 4.03Å; Y72-H76 AromaticContact CE1-CG 3.82Å; Y72-H76 AromaticContact CE1-ND1 3.78Å; Y72-H76 AromaticContact CE2-CE1 3.6Å; Y72-H76 AromaticContact CE2-ND1 3.79Å; Y72-H76 AromaticContact CG-ND1 3.93Å; Y72-H76 AromaticContact CZ-CE1 3.79Å; Y72-H76 AromaticContact CZ-CG 3.89Å; Y72-H76 AromaticContact CZ-ND1 3.7Å; Y72-H76 WeakPolarHBondContact O-CB 3.28Å; Y72-H76 PolarHBondContact O-N 3.44Å; Y72-H76 PolarHBondContact O-ND1 3.48Å; Y72-E85 WeakPolarHBondContact OH-CA 3.42Å; Y72-E85 WeakPolarHBondContact OH-CB 3.08Å; Y72-Q88 HydrophobicContact CE1-CB 4.26Å; Y72-Q88 HydrophobicContact CE2-CB 4.15Å; Y72-Q88 PolarHBondContact OH-OE1 2.67Å; Y72-M89 HydrophobicContact CD1-CB 4.07Å; Y72-M89 HydrophobicContact CD1-CE 3.97Å; Y72-M89 HydrophobicContact CD1-CG 4.48Å; Y72-M89 HydrophobicContact CE1-CB 4.02Å; Y72-M89 HydrophobicContact CE1-CE 4.19Å; Y72-Y92 HydrophobicContact CD1-CD2 4.37Å; Y72-Y92 HydrophobicContact CD1-CE2 4.48Å; Y72-Y92 HydrophobicContact CD2-CD2 4.29Å; Y72-Y92 AromaticContact CD2-CE2 3.63Å; Y72-Y92 HydrophobicContact CD2-CE2 3.63Å; Y72-Y92 HydrophobicContact CE2-CE2 4.26Å; Y72-Y92 AromaticContact CG-CD2 3.96Å; Y72-Y92 HydrophobicContact CG-CD2 3.96Å; Y72-Y92 AromaticContact CG-CE2 3.76Å; Y72-Y92 HydrophobicContact CG-CE2 3.76Å |
| 73 | A | 90.6 | Very high | 87.8 | Confident | 43 Ų | 43 | 68.7 Ų | 68.7 | 36% | 0.355 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -69.8 | -26.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | L69 A70 V71 M89 | L69-A73 VanDerWaalsContact O-CB 3.23Å; L69-A73 WeakPolarHBondContact O-CB 3.41Å; L69-A73 PolarHBondContact O-N 3.32Å; A70-A73 PolarHBondContact O-N 3.03Å; V71-A73 VanDerWaalsContact C-N 3.35Å; V71-A73 PolarHBondContact O-N 2.98Å; A73-M89 HydrophobicContact CB-CE 4.4Å |
| 74 | V | 89.4 | Confident | 87.3 | Confident | 55 Ų | 55 | 71.4 Ų | 71.4 | 33% | 0.333 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -69.9 | -36.5 | 175.9 | 165 | 0 | 0 | 0 | 0 | 111.6 | T3 A70 V71 Y72 | T3-V74 HydrophobicContact CG2-CG1 4.06Å; T3-V74 WeakPolarHBondContact OG1-CG1 3.27Å; A70-V74 VanDerWaalsContact O-CG2 3.25Å; A70-V74 WeakPolarHBondContact O-CG2 3.48Å; A70-V74 PolarHBondContact O-N 2.91Å; A70-V74 VanDerWaalsContact O-N 3.09Å; V71-V74 PolarHBondContact O-N 2.87Å; Y72-V74 VanDerWaalsContact C-N 3.34Å; Y72-V74 PolarHBondContact O-N 2.83Å |
| 75 | Y | 84.3 | Confident | 86.8 | Confident | 56 Ų | 56 | 73.1 Ų | 73.1 | 22% | 0.22 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -97.8 | -9.3 | -176.1 | -65.9 | -76.8 | 0 | 0 | 0 | 114.5 | T3 P7 V11 V71 Y72 | T3-Y75 WeakPolarHBondContact OG1-CD1 3.37Å; T3-Y75 WeakPolarHBondContact OG1-CE1 3.44Å; P7-Y75 VanDerWaalsContact CA-CE1 3.41Å; P7-Y75 HydrophobicContact CB-CD1 3.83Å; P7-Y75 HydrophobicContact CB-CD2 4.08Å; P7-Y75 HydrophobicContact CB-CE1 3.63Å; P7-Y75 HydrophobicContact CB-CE2 3.95Å; P7-Y75 HydrophobicContact CB-CG 4.05Å; P7-Y75 HydrophobicContact CG-CD1 4.08Å; P7-Y75 HydrophobicContact CG-CE1 4.36Å; P7-Y75 HydrophobicContact CG-CG 4.19Å; V11-Y75 HydrophobicContact CG1-CE2 3.74Å; V71-Y75 HydrophobicContact CG1-CD2 4.19Å; V71-Y75 HydrophobicContact CG1-CE2 4.27Å; V71-Y75 VanDerWaalsContact O-CD2 3.25Å; V71-Y75 WeakPolarHBondContact O-CD2 3.31Å; V71-Y75 PolarHBondContact O-N 2.99Å; Y72-Y75 PolarHBondContact O-N 3.45Å |
| 76 | H | 81.3 | Confident | 86.4 | Confident | 50 Ų | 50 | 75.2 Ų | 75.2 | 23% | 0.231 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -125.5 | 89.8 | 178.2 | -56.6 | 83.4 | 0 | 0 | 0 | 110.6 | Y72 R78 L81 E85 M89 | Y72-H76 HydrophobicContact CD1-CB 4.37Å; Y72-H76 AromaticContact CD1-ND1 3.91Å; Y72-H76 AromaticContact CD2-CE1 3.92Å; Y72-H76 AromaticContact CD2-ND1 3.88Å; Y72-H76 HydrophobicContact CE1-CB 4.03Å; Y72-H76 AromaticContact CE1-CG 3.82Å; Y72-H76 AromaticContact CE1-ND1 3.78Å; Y72-H76 AromaticContact CE2-CE1 3.6Å; Y72-H76 AromaticContact CE2-ND1 3.79Å; Y72-H76 AromaticContact CG-ND1 3.93Å; Y72-H76 AromaticContact CZ-CE1 3.79Å; Y72-H76 AromaticContact CZ-CG 3.89Å; Y72-H76 AromaticContact CZ-ND1 3.7Å; Y72-H76 WeakPolarHBondContact O-CB 3.28Å; Y72-H76 PolarHBondContact O-N 3.44Å; Y72-H76 PolarHBondContact O-ND1 3.48Å; H76-R78 PolarHBondContact O-N 3.25Å; H76-L81 HydrophobicContact CB-CD2 3.55Å; H76-E85 IonicContact CD2-OE1 3.9Å; H76-E85 PolarHBondContact CD2-OE1 2.92Å; H76-E85 VanDerWaalsContact CD2-OE1 3.3Å; H76-E85 IonicContact NE2-OE1 2.67Å; H76-M89 HydrophobicContact CB-CE 4.33Å; H76-M89 WeakPolarHBondContact O-CE 3.45Å |
| 77 | P | 75.8 | Confident | 86.1 | Confident | 40 Ų | 40 | 72.1 Ų | 72.1 | 26% | 0.26 | 36% | 0.36 | S | S | . | . | trans | -61.2 | 132.8 | 179.5 | -21.2 | 33.9 | 0 | 0 | 0 | 110.9 | V2 E79 L80 L81 | V2-P77 HydrophobicContact CG1-CG 3.7Å; P77-E79 PolarHBondContact O-N 3.15Å; P77-L80 HydrophobicContact CB-CD1 4.31Å; P77-L80 HydrophobicContact CG-CD1 4.2Å; P77-L80 PolarHBondContact O-N 3.14Å; P77-L81 PolarHBondContact O-N 2.87Å | ||
| 78 | R | 68.3 | Low | 85.9 | Confident | 198 Ų | 198 | 69.7 Ų | 69.7 | 75% | 0.747 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -55.5 | -29.8 | -174.6 | -73.6 | -169.9 | 178.2 | -171.5 | 0.7 | 114.7 | H76 L80 L81 M89 | H76-R78 PolarHBondContact O-N 3.25Å; R78-L80 VanDerWaalsContact C-N 3.26Å; R78-L80 PolarHBondContact O-N 2.96Å; R78-L81 HydrophobicContact CB-CD1 4.35Å; R78-L81 HydrophobicContact CG-CD1 4.25Å; R78-M89 HydrophobicContact CG-SD 4.09Å |
| 79 | E | 69.1 | Low | 85.8 | Confident | 191 Ų | 191 | 70.4 Ų | 70.4 | 89% | 0.893 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -75.7 | -14.8 | -178.7 | -62.1 | 178.2 | -175.3 | 0 | 0 | 113.3 | P77 | P77-E79 PolarHBondContact O-N 3.15Š|
| 80 | L | 75.2 | Confident | 85.8 | Confident | 136 Ų | 136 | 71.7 Ų | 71.7 | 71% | 0.712 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -113.8 | 3 | -175.9 | -61 | 175.7 | 0 | 0 | 0 | 112.9 | P77 R78 D82 | P77-L80 HydrophobicContact CB-CD1 4.31Å; P77-L80 HydrophobicContact CG-CD1 4.2Å; P77-L80 PolarHBondContact O-N 3.14Å; R78-L80 VanDerWaalsContact C-N 3.26Å; R78-L80 PolarHBondContact O-N 2.96Å; L80-D82 PolarHBondContact O-N 3.44Å |
| 81 | L | 78 | Confident | 85.9 | Confident | 35 Ų | 35 | 71 Ų | 71 | 18% | 0.183 | 35% | 0.353 | C | S | . | . | trans | -67.6 | 128.3 | -174.7 | -65.8 | 171.3 | 0 | 0 | 0 | 111.4 | H76 P77 R78 E85 S86 M89 | H76-L81 HydrophobicContact CB-CD2 3.55Å; P77-L81 PolarHBondContact O-N 2.87Å; R78-L81 HydrophobicContact CB-CD1 4.35Å; R78-L81 HydrophobicContact CG-CD1 4.25Å; L81-E85 WeakPolarHBondContact CA-OE2 3.42Å; L81-E85 HydrophobicContact CB-CB 4.37Å; L81-E85 HydrophobicContact CD2-CB 3.59Å; L81-S86 WeakPolarHBondContact CB-OG 3.22Å; L81-M89 HydrophobicContact CD1-CE 3.8Å; L81-M89 HydrophobicContact CD1-SD 3.95Å; L81-M89 HydrophobicContact CD2-CE 3.91Å; L81-M89 HydrophobicContact CG-CE 4.46Å | ||
| 82 | D | 85.6 | Confident | 86.1 | Confident | 82 Ų | 82 | 69.3 Ų | 69.3 | 44% | 0.439 | 34% | 0.343 | S | S | . | . | trans | -74.3 | 179.6 | 161.8 | 79.3 | 25.8 | 0 | 0 | 0 | 111.4 | L80 H84 E85 S86 | L80-D82 PolarHBondContact O-N 3.44Å; D82-H84 WeakPolarHBondContact OD1-CA 3.19Å; D82-H84 WeakPolarHBondContact OD1-CB 3.3Å; D82-H84 PolarHBondContact OD1-N 2.92Å; D82-E85 PolarHBondContact N-OE2 2.87Å; D82-E85 WeakPolarHBondContact OD1-CG 3.33Å; D82-E85 PolarHBondContact OD1-N 3.18Å; D82-S86 VanDerWaalsContact O-CB 3.24Å; D82-S86 WeakPolarHBondContact O-CB 3.32Å; D82-S86 PolarHBondContact O-N 3.44Å; D82-S86 PolarHBondContact O-OG 3.35Å | ||
| 83 | W | 86.6 | Confident | 86.5 | Confident | 198 Ų | 198 | 74 Ų | 74 | 75% | 0.75 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -62.8 | -40.8 | 179.5 | 176.2 | -102.7 | 0 | 0 | 0 | 113.3 | L87 | W83-L87 WeakPolarHBondContact O-CB 3.39Å; W83-L87 PolarHBondContact O-N 2.66Å |
| 84 | H | 87.1 | Confident | 86.9 | Confident | 93 Ų | 93 | 75.1 Ų | 75.1 | 43% | 0.431 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -70.1 | -42.2 | -179 | -70.6 | -77.1 | 0 | 0 | 0 | 110.9 | D82 L87 Q88 Y180 | D82-H84 WeakPolarHBondContact OD1-CA 3.19Å; D82-H84 WeakPolarHBondContact OD1-CB 3.3Å; D82-H84 PolarHBondContact OD1-N 2.92Å; H84-L87 WeakPolarHBondContact O-CB 3.15Å; H84-L87 PolarHBondContact O-N 3.47Å; H84-Q88 PolarHBondContact O-N 2.96Å; H84-Y180 HydrophobicContact CB-CE1 4.23Å; H84-Y180 AromaticContact ND1-CE1 3.36Å; H84-Y180 WeakPolarHBondContact ND1-CE1 3.35Å; H84-Y180 AromaticContact ND1-CZ 3.64Å; H84-Y180 PolarHBondContact ND1-OH 2.79Å; H84-Y180 VanDerWaalsContact ND1-OH 3.09Å |
| 85 | E | 87.9 | Confident | 87.3 | Confident | 50 Ų | 50 | 72.6 Ų | 72.6 | 23% | 0.234 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.1 | -38.6 | 178.9 | -61.5 | 171 | 145.3 | 0 | 0 | 111.7 | Y72 H76 L81 D82 L87 Q88 M89 | Y72-E85 WeakPolarHBondContact OH-CA 3.42Å; Y72-E85 WeakPolarHBondContact OH-CB 3.08Å; H76-E85 IonicContact CD2-OE1 3.9Å; H76-E85 PolarHBondContact CD2-OE1 2.92Å; H76-E85 VanDerWaalsContact CD2-OE1 3.3Å; H76-E85 IonicContact NE2-OE1 2.67Å; L81-E85 WeakPolarHBondContact CA-OE2 3.42Å; L81-E85 HydrophobicContact CB-CB 4.37Å; L81-E85 HydrophobicContact CD2-CB 3.59Å; D82-E85 PolarHBondContact N-OE2 2.87Å; D82-E85 WeakPolarHBondContact OD1-CG 3.33Å; D82-E85 PolarHBondContact OD1-N 3.18Å; E85-L87 VanDerWaalsContact C-N 3.32Å; E85-L87 PolarHBondContact O-N 2.66Å; E85-Q88 PolarHBondContact O-N 2.87Å; E85-M89 WeakPolarHBondContact O-CB 3.45Å; E85-M89 PolarHBondContact O-N 2.94Å |
| 86 | S | 90 | Very high | 88 | Confident | 47 Ų | 47 | 71 Ų | 71 | 33% | 0.329 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.8 | -43.3 | 171.9 | -65.6 | 0 | 0 | 0 | 0 | 111.6 | L81 D82 A90 | L81-S86 WeakPolarHBondContact CB-OG 3.22Å; D82-S86 VanDerWaalsContact O-CB 3.24Å; D82-S86 WeakPolarHBondContact O-CB 3.32Å; D82-S86 PolarHBondContact O-N 3.44Å; D82-S86 PolarHBondContact O-OG 3.35Å; S86-A90 WeakPolarHBondContact O-CB 3.46Å; S86-A90 PolarHBondContact O-N 2.8Å |
| 87 | L | 92.2 | Very high | 88.8 | Confident | 60 Ų | 60 | 72 Ų | 72 | 31% | 0.314 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.2 | -48 | 177.2 | 179.3 | 62.7 | 0 | 0 | 0 | 111.4 | W83 H84 E85 M89 A90 L91 Y180 | W83-L87 WeakPolarHBondContact O-CB 3.39Å; W83-L87 PolarHBondContact O-N 2.66Å; H84-L87 WeakPolarHBondContact O-CB 3.15Å; H84-L87 PolarHBondContact O-N 3.47Å; E85-L87 VanDerWaalsContact C-N 3.32Å; E85-L87 PolarHBondContact O-N 2.66Å; L87-M89 VanDerWaalsContact C-N 3.34Å; L87-M89 PolarHBondContact O-N 3.35Å; L87-A90 PolarHBondContact O-N 3.3Å; L87-L91 HydrophobicContact CD1-CD1 4.28Å; L87-L91 HydrophobicContact CD1-CG 4.25Å; L87-L91 HydrophobicContact CG-CD1 4.04Å; L87-L91 HydrophobicContact CG-CG 4.45Å; L87-L91 VanDerWaalsContact O-CG 3.24Å; L87-L91 WeakPolarHBondContact O-CG 3.41Å; L87-L91 PolarHBondContact O-N 3.3Å; L87-Y180 HydrophobicContact CD2-CE2 4.34Å |
| 88 | Q | 93 | Very high | 89.9 | Confident | 14 Ų | 14 | 71.3 Ų | 71.3 | 7% | 0.065 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.8 | -44.2 | 178 | -71.8 | -171.9 | -88.4 | 0 | 0 | 111.9 | Y72 H84 E85 A90 L91 Y92 N177 Y180 | Y72-Q88 HydrophobicContact CE1-CB 4.26Å; Y72-Q88 HydrophobicContact CE2-CB 4.15Å; Y72-Q88 PolarHBondContact OH-OE1 2.67Å; H84-Q88 PolarHBondContact O-N 2.96Å; E85-Q88 PolarHBondContact O-N 2.87Å; Q88-A90 VanDerWaalsContact C-N 3.35Å; Q88-A90 PolarHBondContact O-N 3.36Å; Q88-L91 PolarHBondContact O-N 2.91Å; Q88-Y92 HydrophobicContact CB-CE2 4.45Å; Q88-Y92 WeakPolarHBondContact O-CD2 3.12Å; Q88-Y92 PolarHBondContact O-N 3.05Å; Q88-N177 WeakPolarHBondContact CA-OD1 3.39Å; Q88-N177 PolarHBondContact O-OD1 3.37Å; Q88-Y180 HydrophobicContact CG-CD2 4.16Å; Q88-Y180 HydrophobicContact CG-CG 4.02Å |
| 89 | M | 93.6 | Very high | 91.3 | Very high | 16 Ų | 16 | 62.1 Ų | 62.1 | 8% | 0.079 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 176.3 | -170.9 | 175.3 | -64.5 | 0 | 0 | 111.8 | L69 Y72 A73 H76 R78 L81 E85 L87 L91 Y92 F93 | L69-M89 HydrophobicContact CD1-CG 4.22Å; Y72-M89 HydrophobicContact CD1-CB 4.07Å; Y72-M89 HydrophobicContact CD1-CE 3.97Å; Y72-M89 HydrophobicContact CD1-CG 4.48Å; Y72-M89 HydrophobicContact CE1-CB 4.02Å; Y72-M89 HydrophobicContact CE1-CE 4.19Å; A73-M89 HydrophobicContact CB-CE 4.4Å; H76-M89 HydrophobicContact CB-CE 4.33Å; H76-M89 WeakPolarHBondContact O-CE 3.45Å; R78-M89 HydrophobicContact CG-SD 4.09Å; L81-M89 HydrophobicContact CD1-CE 3.8Å; L81-M89 HydrophobicContact CD1-SD 3.95Å; L81-M89 HydrophobicContact CD2-CE 3.91Å; L81-M89 HydrophobicContact CG-CE 4.46Å; E85-M89 WeakPolarHBondContact O-CB 3.45Å; E85-M89 PolarHBondContact O-N 2.94Å; L87-M89 VanDerWaalsContact C-N 3.34Å; L87-M89 PolarHBondContact O-N 3.35Å; M89-L91 VanDerWaalsContact C-N 3.35Å; M89-L91 PolarHBondContact O-N 3.31Å; M89-Y92 PolarHBondContact O-N 3.12Å; M89-F93 WeakPolarHBondContact O-CB 3.08Å; M89-F93 PolarHBondContact O-N 3.01Å |
| 90 | A | 95.9 | Very high | 92.7 | Very high | 55 Ų | 55 | 53.8 Ų | 53.8 | 46% | 0.455 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S86 L87 Q88 F93 L94 | S86-A90 WeakPolarHBondContact O-CB 3.46Å; S86-A90 PolarHBondContact O-N 2.8Å; L87-A90 PolarHBondContact O-N 3.3Å; Q88-A90 VanDerWaalsContact C-N 3.35Å; Q88-A90 PolarHBondContact O-N 3.36Å; A90-F93 PolarHBondContact O-N 3.33Å; A90-L94 VanDerWaalsContact O-CB 3.31Å; A90-L94 WeakPolarHBondContact O-CB 3.33Å; A90-L94 PolarHBondContact O-N 3.38Å |
| 91 | L | 97.6 | Very high | 93.8 | Very high | 25 Ų | 25 | 50.1 Ų | 50.1 | 13% | 0.131 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.4 | -41.1 | 177.3 | -69.1 | 171.4 | 0 | 0 | 0 | 112.1 | L87 Q88 M89 L94 A95 C173 T176 | L87-L91 HydrophobicContact CD1-CD1 4.28Å; L87-L91 HydrophobicContact CD1-CG 4.25Å; L87-L91 HydrophobicContact CG-CD1 4.04Å; L87-L91 HydrophobicContact CG-CG 4.45Å; L87-L91 VanDerWaalsContact O-CG 3.24Å; L87-L91 WeakPolarHBondContact O-CG 3.41Å; L87-L91 PolarHBondContact O-N 3.3Å; Q88-L91 PolarHBondContact O-N 2.91Å; M89-L91 VanDerWaalsContact C-N 3.35Å; M89-L91 PolarHBondContact O-N 3.31Å; L91-L94 PolarHBondContact O-N 2.78Å; L91-A95 WeakPolarHBondContact O-CB 3.41Å; L91-A95 PolarHBondContact O-N 2.76Å; L91-C173 HydrophobicContact CB-CB 4.21Å; L91-C173 HydrophobicContact CD2-CB 4.28Å; L91-C173 WeakPolarHBondContact O-CB 3.26Å; L91-T176 HydrophobicContact CD1-CG2 3.45Å; L91-T176 VanDerWaalsContact CD1-CG2 3.45Å |
| 92 | Y | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61 | -46.8 | 173.1 | -77.5 | -57.1 | 0 | 0 | 0 | 111.6 | H15 L19 Y72 Q88 M89 L94 A95 V96 N177 | H15-Y92 AromaticContact NE2-CZ 3.9Å; H15-Y92 PolarHBondContact NE2-OH 3.29Å; L19-Y92 HydrophobicContact CD2-CE1 3.73Å; Y72-Y92 HydrophobicContact CD1-CD2 4.37Å; Y72-Y92 HydrophobicContact CD1-CE2 4.48Å; Y72-Y92 HydrophobicContact CD2-CD2 4.29Å; Y72-Y92 AromaticContact CD2-CE2 3.63Å; Y72-Y92 HydrophobicContact CD2-CE2 3.63Å; Y72-Y92 HydrophobicContact CE2-CE2 4.26Å; Y72-Y92 AromaticContact CG-CD2 3.96Å; Y72-Y92 HydrophobicContact CG-CD2 3.96Å; Y72-Y92 AromaticContact CG-CE2 3.76Å; Y72-Y92 HydrophobicContact CG-CE2 3.76Å; Q88-Y92 HydrophobicContact CB-CE2 4.45Å; Q88-Y92 WeakPolarHBondContact O-CD2 3.12Å; Q88-Y92 PolarHBondContact O-N 3.05Å; M89-Y92 PolarHBondContact O-N 3.12Å; Y92-L94 PolarHBondContact O-N 3.08Å; Y92-A95 PolarHBondContact O-N 3.31Å; Y92-V96 WeakPolarHBondContact O-CG2 3.45Å; Y92-V96 PolarHBondContact O-N 3.18Å; Y92-N177 WeakPolarHBondContact CD1-ND2 3.43Å; Y92-N177 HydrophobicContact CE1-CB 3.9Å; Y92-N177 WeakPolarHBondContact CE1-ND2 3.26Å; Y92-N177 HydrophobicContact CE2-CB 4.41Å; Y92-N177 VanDerWaalsContact CG-ND2 3.33Å; Y92-N177 PolarHBondContact N-ND2 3.25Å |
| 93 | F | 97.8 | Very high | 95.4 | Very high | 111 Ų | 111 | 44.9 Ų | 44.9 | 49% | 0.487 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.2 | -44.8 | 178.3 | -173.7 | -103.4 | 0 | 0 | 0 | 111.9 | L69 M89 A90 A95 V96 I97 | L69-F93 HydrophobicContact CD1-CB 4.47Å; L69-F93 HydrophobicContact CD2-CB 4.45Å; L69-F93 HydrophobicContact CD2-CD2 4.03Å; M89-F93 WeakPolarHBondContact O-CB 3.08Å; M89-F93 PolarHBondContact O-N 3.01Å; A90-F93 PolarHBondContact O-N 3.33Å; F93-A95 PolarHBondContact O-N 2.96Å; F93-V96 PolarHBondContact O-N 3.44Å; F93-I97 HydrophobicContact CD1-CD1 3.77Å; F93-I97 HydrophobicContact CE1-CD1 3.32Å; F93-I97 HydrophobicContact CE1-CG1 4.34Å; F93-I97 HydrophobicContact CZ-CD1 3.84Å; F93-I97 PolarHBondContact O-N 2.94Å; F93-I97 VanDerWaalsContact O-N 3.08Å |
| 94 | L | 98.5 | Very high | 95.9 | Very high | 66 Ų | 66 | 40.4 Ų | 40.4 | 35% | 0.346 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.6 | -43.2 | 176 | -175.4 | 59.2 | 0 | 0 | 0 | 111.5 | A90 L91 Y92 V96 I97 M98 I169 | A90-L94 VanDerWaalsContact O-CB 3.31Å; A90-L94 WeakPolarHBondContact O-CB 3.33Å; A90-L94 PolarHBondContact O-N 3.38Å; L91-L94 PolarHBondContact O-N 2.78Å; Y92-L94 PolarHBondContact O-N 3.08Å; L94-V96 VanDerWaalsContact C-N 3.35Å; L94-V96 PolarHBondContact O-N 2.79Å; L94-I97 PolarHBondContact O-N 3.41Å; L94-M98 HydrophobicContact CD1-CE 3.61Å; L94-M98 HydrophobicContact CD1-CG 4.38Å; L94-M98 HydrophobicContact CG-CG 4.44Å; L94-M98 VanDerWaalsContact O-CG 3.3Å; L94-M98 WeakPolarHBondContact O-CG 3.41Å; L94-M98 PolarHBondContact O-N 3.31Å; L94-I169 HydrophobicContact CD2-CG2 3.87Å; L94-I169 HydrophobicContact CG-CG2 4.11Å |
| 95 | A | 98.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.5 | -40.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | N65 L91 Y92 F93 M98 A99 C173 | N65-A95 HydrophobicContact CB-CB 4.2Å; N65-A95 VanDerWaalsContact OD1-CB 3.31Å; N65-A95 WeakPolarHBondContact OD1-CB 3.32Å; L91-A95 WeakPolarHBondContact O-CB 3.41Å; L91-A95 PolarHBondContact O-N 2.76Å; Y92-A95 PolarHBondContact O-N 3.31Å; F93-A95 PolarHBondContact O-N 2.96Å; A95-M98 PolarHBondContact O-N 3.47Å; A95-A99 WeakPolarHBondContact O-CB 3.29Å; A95-A99 PolarHBondContact O-N 3.3Å; A95-C173 HydrophobicContact CB-CB 3.9Å |
| 96 | V | 98.7 | Very high | 97 | Very high | 24 Ų | 24 | 43.5 Ų | 43.5 | 15% | 0.145 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.4 | -47.9 | 173.2 | 171.1 | 0 | 0 | 0 | 0 | 111 | L62 N65 F66 L69 Y92 F93 L94 A99 G100 | L62-V96 HydrophobicContact CD1-CG1 3.91Å; N65-V96 VanDerWaalsContact C-CG2 3.5Å; N65-V96 HydrophobicContact CB-CG2 3.73Å; F66-V96 HydrophobicContact CB-CG2 4.33Å; L69-V96 HydrophobicContact CB-CG2 4.46Å; L69-V96 HydrophobicContact CD2-CG2 4.19Å; Y92-V96 WeakPolarHBondContact O-CG2 3.45Å; Y92-V96 PolarHBondContact O-N 3.18Å; F93-V96 PolarHBondContact O-N 3.44Å; L94-V96 VanDerWaalsContact C-N 3.35Å; L94-V96 PolarHBondContact O-N 2.79Å; V96-A99 PolarHBondContact O-N 3.48Å; V96-G100 PolarHBondContact O-N 2.9Å |
| 97 | I | 98.6 | Very high | 97.3 | Very high | 69 Ų | 69 | 41.6 Ų | 41.6 | 35% | 0.354 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.4 | -47.7 | 178.7 | -68.2 | 172.7 | 0 | 0 | 0 | 110.7 | F93 L94 A99 G100 L101 | F93-I97 HydrophobicContact CD1-CD1 3.77Å; F93-I97 HydrophobicContact CE1-CD1 3.32Å; F93-I97 HydrophobicContact CE1-CG1 4.34Å; F93-I97 HydrophobicContact CZ-CD1 3.84Å; F93-I97 PolarHBondContact O-N 2.94Å; F93-I97 VanDerWaalsContact O-N 3.08Å; L94-I97 PolarHBondContact O-N 3.41Å; I97-A99 PolarHBondContact O-N 3.48Å; I97-G100 PolarHBondContact O-N 3.04Å; I97-L101 HydrophobicContact CG2-CD1 3.97Å; I97-L101 HydrophobicContact CG2-CG 4.3Å; I97-L101 WeakPolarHBondContact O-CG 3.37Å; I97-L101 PolarHBondContact O-N 2.88Å |
| 98 | M | 98.6 | Very high | 97.6 | Very high | 26 Ų | 26 | 41.9 Ų | 41.9 | 13% | 0.128 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.1 | -43.3 | -179.3 | -68.4 | -55.8 | 122.8 | 0 | 0 | 112.1 | L94 A95 L101 N102 C166 I169 | L94-M98 HydrophobicContact CD1-CE 3.61Å; L94-M98 HydrophobicContact CD1-CG 4.38Å; L94-M98 HydrophobicContact CG-CG 4.44Å; L94-M98 VanDerWaalsContact O-CG 3.3Å; L94-M98 WeakPolarHBondContact O-CG 3.41Å; L94-M98 PolarHBondContact O-N 3.31Å; A95-M98 PolarHBondContact O-N 3.47Å; M98-L101 HydrophobicContact CE-CD1 4.33Å; M98-N102 PolarHBondContact O-N 3.44Å; M98-N102 VanDerWaalsContact O-N 3.15Å; M98-C166 HydrophobicContact CB-CB 4.21Å; M98-C166 WeakPolarHBondContact CB-O 3.24Å; M98-C166 HydrophobicContact SD-CB 3.89Å; M98-I169 HydrophobicContact CG-CB 4.17Å; M98-I169 HydrophobicContact CG-CG2 3.85Å; M98-I169 HydrophobicContact SD-CB 4.41Å; M98-I169 HydrophobicContact SD-CD1 4.33Å; M98-I169 HydrophobicContact SD-CG2 4.31Å |
| 99 | A | 98.5 | Very high | 97.8 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 4% | 0.041 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.2 | -40.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L61 L62 A95 V96 I97 N102 A103 | L61-A99 HydrophobicContact CB-CB 4.01Å; L62-A99 HydrophobicContact CB-CB 4.03Å; L62-A99 HydrophobicContact CD1-CB 4.47Å; A95-A99 WeakPolarHBondContact O-CB 3.29Å; A95-A99 PolarHBondContact O-N 3.3Å; V96-A99 PolarHBondContact O-N 3.48Å; I97-A99 PolarHBondContact O-N 3.48Å; A99-N102 PolarHBondContact O-N 2.96Å; A99-A103 WeakPolarHBondContact O-CB 3.32Å; A99-A103 PolarHBondContact O-N 3.43Å |
| 100 | G | 98.5 | Very high | 98 | Very high | 16 Ų | 16 | 42 Ų | 42 | 17% | 0.165 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.6 | -46.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | V96 I97 N102 A103 Q104 | V96-G100 PolarHBondContact O-N 2.9Å; I97-G100 PolarHBondContact O-N 3.04Å; G100-N102 VanDerWaalsContact C-N 3.28Å; G100-N102 PolarHBondContact O-N 3.33Å; G100-A103 PolarHBondContact O-N 2.92Å; G100-Q104 WeakPolarHBondContact O-CB 3.37Å; G100-Q104 WeakPolarHBondContact O-CG 3.47Å; G100-Q104 PolarHBondContact O-N 3.28Å |
| 101 | L | 98.5 | Very high | 98.1 | Very high | 59 Ų | 59 | 40.7 Ų | 40.7 | 31% | 0.309 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -58.8 | -41 | 175.1 | -73 | 173.1 | 0 | 0 | 0 | 111.7 | I97 M98 W105 F106 | I97-L101 HydrophobicContact CG2-CD1 3.97Å; I97-L101 HydrophobicContact CG2-CG 4.3Å; I97-L101 WeakPolarHBondContact O-CG 3.37Å; I97-L101 PolarHBondContact O-N 2.88Å; M98-L101 HydrophobicContact CE-CD1 4.33Å; L101-W105 CarbonylContact O-C 3.58Å; L101-W105 WeakPolarHBondContact O-CA 3.27Å; L101-W105 WeakPolarHBondContact O-CB 3.47Å; L101-W105 PolarHBondContact O-N 3.5Å; L101-F106 HydrophobicContact CB-CD2 4.06Å; L101-F106 HydrophobicContact CB-CE2 3.88Å; L101-F106 HydrophobicContact CD1-CE2 4.2Å; L101-F106 HydrophobicContact CG-CE2 4.46Å; L101-F106 PolarHBondContact O-N 3.41Å |
| 102 | N | 98.4 | Very high | 98.1 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.011 | 23% | 0.226 | C | C | . | . | I | π-helix | trans | -67.7 | -45 | 176.2 | -92.9 | -28.6 | 0 | 0 | 0 | 113.1 | F58 M98 A99 G100 G107 P108 S163 C166 N167 | F58-N102 HydrophobicContact CB-CB 4.41Å; F58-N102 HydrophobicContact CD1-CB 3.64Å; F58-N102 HydrophobicContact CD2-CB 4.02Å; F58-N102 HydrophobicContact CE1-CB 3.75Å; F58-N102 HydrophobicContact CE2-CB 4.13Å; F58-N102 HydrophobicContact CG-CB 3.79Å; F58-N102 HydrophobicContact CZ-CB 4Å; M98-N102 PolarHBondContact O-N 3.44Å; M98-N102 VanDerWaalsContact O-N 3.15Å; A99-N102 PolarHBondContact O-N 2.96Å; G100-N102 VanDerWaalsContact C-N 3.28Å; G100-N102 PolarHBondContact O-N 3.33Å; N102-G107 VanDerWaalsContact O-CA 3.31Å; N102-G107 WeakPolarHBondContact O-CA 3.3Å; N102-G107 PolarHBondContact O-N 2.95Å; N102-P108 WeakPolarHBondContact O-CD 3.38Å; N102-S163 PolarHBondContact ND2-O 2.99Å; N102-S163 WeakPolarHBondContact OD1-CA 3.18Å; N102-S163 VanDerWaalsContact OD1-CB 3.23Å; N102-S163 WeakPolarHBondContact OD1-CB 3.09Å; N102-S163 PolarHBondContact OD1-O 3.38Å; N102-S163 PolarHBondContact OD1-OG 3.48Å; N102-C166 WeakPolarHBondContact ND2-CB 3.33Å; N102-N167 PolarHBondContact ND2-N 3.49Å |
| 103 | A | 98 | Very high | 98.2 | Very high | 5 Ų | 5 | 45.1 Ų | 45.1 | 4% | 0.041 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -68.2 | -40.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F58 Y59 A99 G100 P108 | F58-A103 HydrophobicContact CB-CB 3.86Å; Y59-A103 HydrophobicContact CD1-CB 4.32Å; Y59-A103 HydrophobicContact CD2-CB 4.38Å; Y59-A103 HydrophobicContact CE1-CB 4.23Å; Y59-A103 HydrophobicContact CE2-CB 4.25Å; Y59-A103 HydrophobicContact CG-CB 4.41Å; A99-A103 WeakPolarHBondContact O-CB 3.32Å; A99-A103 PolarHBondContact O-N 3.43Å; G100-A103 PolarHBondContact O-N 2.92Å; A103-P108 WeakPolarHBondContact O-CG 3.37Å |
| 104 | Q | 97.8 | Very high | 98.1 | Very high | 105 Ų | 105 | 41.1 Ų | 41.1 | 49% | 0.491 | 21% | 0.212 | S | C | . | . | I | π-helix | trans | -95.2 | -30.7 | -171.8 | -59.7 | -57.5 | -37.7 | 0 | 0 | 113.7 | Y59 G100 | Y59-Q104 VanDerWaalsContact CE1-NE2 3.28Å; Y59-Q104 VanDerWaalsContact CZ-NE2 3.31Å; Y59-Q104 PolarHBondContact OH-NE2 3.5Å; G100-Q104 WeakPolarHBondContact O-CB 3.37Å; G100-Q104 WeakPolarHBondContact O-CG 3.47Å; G100-Q104 PolarHBondContact O-N 3.28Å |
| 105 | W | 97.9 | Very high | 98.1 | Very high | 171 Ų | 171 | 41.3 Ų | 41.3 | 65% | 0.648 | 21% | 0.21 | S | C | * | . | I | π-helix | trans | -124.4 | -71 | -169 | -122.5 | -64.9 | 0 | 0 | 0 | 113 | L101 G107 P108 S109 | L101-W105 CarbonylContact O-C 3.58Å; L101-W105 WeakPolarHBondContact O-CA 3.27Å; L101-W105 WeakPolarHBondContact O-CB 3.47Å; L101-W105 PolarHBondContact O-N 3.5Å; W105-G107 PolarHBondContact O-N 3.28Å; W105-P108 WeakPolarHBondContact O-CD 3.37Å; W105-S109 WeakPolarHBondContact O-CB 3.46Å; W105-S109 PolarHBondContact O-N 2.69Å; W105-S109 PolarHBondContact O-OG 2.87Å; W105-S109 VanDerWaalsContact O-OG 3.04Å |
| 106 | F | 98.3 | Very high | 98 | Very high | 37 Ų | 37 | 44.5 Ų | 44.5 | 16% | 0.162 | 22% | 0.224 | C | C | . | . | I | π-helix | trans | -69.5 | -40 | -166.6 | -57.5 | -35.6 | 0 | 0 | 0 | 112.8 | L101 A110 Y159 L162 | L101-F106 HydrophobicContact CB-CD2 4.06Å; L101-F106 HydrophobicContact CB-CE2 3.88Å; L101-F106 HydrophobicContact CD1-CE2 4.2Å; L101-F106 HydrophobicContact CG-CE2 4.46Å; L101-F106 PolarHBondContact O-N 3.41Å; F106-A110 WeakPolarHBondContact O-CB 3.38Å; F106-A110 PolarHBondContact O-N 2.83Å; F106-Y159 HydrophobicContact CD1-CD1 4.05Å; F106-Y159 HydrophobicContact CD1-CE1 4.44Å; F106-L162 HydrophobicContact CD1-CB 4.46Å; F106-L162 HydrophobicContact CD2-CB 4.18Å; F106-L162 HydrophobicContact CE1-CD1 4.08Å; F106-L162 HydrophobicContact CE2-CB 4.24Å; F106-L162 HydrophobicContact CG-CB 4.3Å; F106-L162 HydrophobicContact CZ-CB 4.42Å; F106-L162 HydrophobicContact CZ-CD1 4.29Å |
| 107 | G | 97.2 | Very high | 97.9 | Very high | 7 Ų | 7 | 43.9 Ų | 43.9 | 7% | 0.072 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.1 | -55 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | N102 W105 A110 T111 | N102-G107 VanDerWaalsContact O-CA 3.31Å; N102-G107 WeakPolarHBondContact O-CA 3.3Å; N102-G107 PolarHBondContact O-N 2.95Å; W105-G107 PolarHBondContact O-N 3.28Å; G107-A110 PolarHBondContact O-N 2.9Å; G107-T111 WeakPolarHBondContact O-CB 3.36Å; G107-T111 PolarHBondContact O-N 3.37Å; G107-T111 PolarHBondContact O-OG1 3.46Å |
| 108 | P | 97.8 | Very high | 97.7 | Very high | 65 Ų | 65 | 43.3 Ų | 43.3 | 42% | 0.422 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -56.8 | -47.6 | 175.1 | -28 | 35.6 | 0 | 0 | 0 | 113.4 | N102 A103 W105 A110 T111 E112 | N102-P108 WeakPolarHBondContact O-CD 3.38Å; A103-P108 WeakPolarHBondContact O-CG 3.37Å; W105-P108 WeakPolarHBondContact O-CD 3.37Å; P108-A110 PolarHBondContact O-N 3.41Å; P108-T111 WeakPolarHBondContact O-CB 3.23Å; P108-T111 PolarHBondContact O-N 2.86Å; P108-E112 PolarHBondContact O-N 3.15Å |
| 109 | S | 98.3 | Very high | 97.6 | Very high | 24 Ų | 24 | 47.5 Ų | 47.5 | 17% | 0.168 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64 | -42.2 | 180 | -61.8 | 0 | 0 | 0 | 0 | 112.7 | W105 T111 E112 V113 | W105-S109 WeakPolarHBondContact O-CB 3.46Å; W105-S109 PolarHBondContact O-N 2.69Å; W105-S109 PolarHBondContact O-OG 2.87Å; W105-S109 VanDerWaalsContact O-OG 3.04Å; S109-T111 VanDerWaalsContact C-N 3.31Å; S109-T111 PolarHBondContact O-N 2.85Å; S109-E112 PolarHBondContact O-N 2.91Å; S109-V113 WeakPolarHBondContact O-CG2 3.49Å; S109-V113 PolarHBondContact O-N 2.91Å; S109-V113 VanDerWaalsContact O-N 3.15Å |
| 110 | A | 97.8 | Very high | 97.5 | Very high | 8 Ų | 8 | 47.8 Ų | 47.8 | 7% | 0.066 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.5 | -40.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F106 G107 P108 M114 F156 | F106-A110 WeakPolarHBondContact O-CB 3.38Å; F106-A110 PolarHBondContact O-N 2.83Å; G107-A110 PolarHBondContact O-N 2.9Å; P108-A110 PolarHBondContact O-N 3.41Å; A110-M114 VanDerWaalsContact O-CB 3.28Å; A110-M114 WeakPolarHBondContact O-CB 3.28Å; A110-M114 PolarHBondContact O-N 3.36Å; A110-F156 HydrophobicContact CB-CE2 4.48Å; A110-F156 WeakPolarHBondContact O-CD2 3.44Å |
| 111 | T | 97.8 | Very high | 97.3 | Very high | 29 Ų | 29 | 47.4 Ų | 47.4 | 18% | 0.178 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.4 | -44.2 | 179.2 | -60.3 | 0 | 0 | 0 | 0 | 111.8 | G107 P108 S109 M114 F115 | G107-T111 WeakPolarHBondContact O-CB 3.36Å; G107-T111 PolarHBondContact O-N 3.37Å; G107-T111 PolarHBondContact O-OG1 3.46Å; P108-T111 WeakPolarHBondContact O-CB 3.23Å; P108-T111 PolarHBondContact O-N 2.86Å; S109-T111 VanDerWaalsContact C-N 3.31Å; S109-T111 PolarHBondContact O-N 2.85Å; T111-M114 HydrophobicContact CG2-CE 4.4Å; T111-M114 WeakPolarHBondContact O-CB 3.26Å; T111-M114 PolarHBondContact O-N 3.33Å; T111-F115 HydrophobicContact CG2-CD2 3.97Å; T111-F115 HydrophobicContact CG2-CE2 3.62Å; T111-F115 VanDerWaalsContact O-CD2 3.22Å; T111-F115 WeakPolarHBondContact O-CD2 3.39Å; T111-F115 PolarHBondContact O-N 2.95Å; T111-F115 VanDerWaalsContact O-N 3.11Å |
| 112 | E | 98.1 | Very high | 97.1 | Very high | 106 Ų | 106 | 49.1 Ų | 49.1 | 50% | 0.495 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60 | -47.9 | 177.4 | -170.7 | -165.2 | 150.5 | 0 | 0 | 111.4 | P108 S109 M114 F115 K116 | P108-E112 PolarHBondContact O-N 3.15Å; S109-E112 PolarHBondContact O-N 2.91Å; E112-M114 VanDerWaalsContact C-N 3.31Å; E112-M114 PolarHBondContact O-N 2.75Å; E112-F115 PolarHBondContact O-N 2.89Å; E112-K116 PolarHBondContact O-N 3.32Å; E112-K116 WeakPolarHBondContact OE1-CE 3.06Å; E112-K116 IonicContact OE1-NZ 3.3Å; E112-K116 PolarHBondContact OE1-NZ 3.46Å |
| 113 | V | 97.9 | Very high | 96.8 | Very high | 11 Ų | 11 | 56.1 Ų | 56.1 | 7% | 0.067 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.6 | -32.8 | 179.8 | -176.4 | 0 | 0 | 0 | 0 | 111.4 | S109 F115 K116 L117 Y152 T155 F156 | S109-V113 WeakPolarHBondContact O-CG2 3.49Å; S109-V113 PolarHBondContact O-N 2.91Å; S109-V113 VanDerWaalsContact O-N 3.15Å; V113-F115 VanDerWaalsContact C-N 3.33Å; V113-F115 PolarHBondContact O-N 3.13Å; V113-K116 PolarHBondContact O-N 2.92Å; V113-L117 WeakPolarHBondContact O-CG 3.37Å; V113-L117 PolarHBondContact O-N 2.9Å; V113-Y152 WeakPolarHBondContact CG1-O 3.36Å; V113-T155 HydrophobicContact CG1-CG2 4.47Å; V113-T155 HydrophobicContact CG2-CG2 3.98Å; V113-F156 HydrophobicContact CB-CB 4.42Å; V113-F156 HydrophobicContact CG1-CB 3.83Å |
| 114 | M | 97.3 | Very high | 96.5 | Very high | 27 Ų | 27 | 60.2 Ų | 60.2 | 13% | 0.133 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.7 | -40.7 | 173.2 | -179.4 | -82.9 | -63.4 | 0 | 0 | 112 | G47 A110 T111 E112 L117 R118 F156 | G47-M114 VanDerWaalsContact O-CE 3.24Å; G47-M114 WeakPolarHBondContact O-CE 3.42Å; A110-M114 VanDerWaalsContact O-CB 3.28Å; A110-M114 WeakPolarHBondContact O-CB 3.28Å; A110-M114 PolarHBondContact O-N 3.36Å; T111-M114 HydrophobicContact CG2-CE 4.4Å; T111-M114 WeakPolarHBondContact O-CB 3.26Å; T111-M114 PolarHBondContact O-N 3.33Å; E112-M114 VanDerWaalsContact C-N 3.31Å; E112-M114 PolarHBondContact O-N 2.75Å; M114-L117 WeakPolarHBondContact O-CB 3.41Å; M114-L117 PolarHBondContact O-N 2.84Å; M114-R118 WeakPolarHBondContact O-CB 3.32Å; M114-R118 PolarHBondContact O-N 3.46Å; M114-F156 HydrophobicContact CB-CD2 4.02Å; M114-F156 HydrophobicContact CB-CE2 3.81Å; M114-F156 HydrophobicContact CG-CE2 4.3Å |
| 115 | F | 97.8 | Very high | 96.2 | Very high | 71 Ų | 71 | 57.8 Ų | 57.8 | 31% | 0.311 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.5 | -39.7 | 175.2 | -77.9 | -64.9 | 0 | 0 | 0 | 112.4 | L48 T111 E112 V113 L117 R118 E119 | L48-F115 HydrophobicContact CD1-CE1 4.4Å; L48-F115 HydrophobicContact CD1-CZ 4.31Å; T111-F115 HydrophobicContact CG2-CD2 3.97Å; T111-F115 HydrophobicContact CG2-CE2 3.62Å; T111-F115 VanDerWaalsContact O-CD2 3.22Å; T111-F115 WeakPolarHBondContact O-CD2 3.39Å; T111-F115 PolarHBondContact O-N 2.95Å; T111-F115 VanDerWaalsContact O-N 3.11Å; E112-F115 PolarHBondContact O-N 2.89Å; V113-F115 VanDerWaalsContact C-N 3.33Å; V113-F115 PolarHBondContact O-N 3.13Å; F115-L117 VanDerWaalsContact C-N 3.33Å; F115-L117 PolarHBondContact O-N 3.42Å; F115-R118 WeakPolarHBondContact O-CB 3.24Å; F115-R118 PolarHBondContact O-N 3.39Å; F115-E119 WeakPolarHBondContact O-CG 3.46Å; F115-E119 PolarHBondContact O-N 3.39Å |
| 116 | K | 97.3 | Very high | 95.9 | Very high | 67 Ų | 67 | 50.2 Ų | 50.2 | 29% | 0.291 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62 | -39.9 | 173.5 | -65.4 | 176.2 | -173.6 | 168 | 0 | 112.2 | E112 V113 E119 V120 Y152 | E112-K116 PolarHBondContact O-N 3.32Å; E112-K116 WeakPolarHBondContact OE1-CE 3.06Å; E112-K116 IonicContact OE1-NZ 3.3Å; E112-K116 PolarHBondContact OE1-NZ 3.46Å; V113-K116 PolarHBondContact O-N 2.92Å; K116-E119 PolarHBondContact O-N 3.38Å; K116-V120 PolarHBondContact O-N 2.86Å; K116-Y152 HydrophobicContact CB-CD2 3.99Å; K116-Y152 HydrophobicContact CB-CE2 4Å; K116-Y152 HydrophobicContact CB-CG 4.3Å; K116-Y152 HydrophobicContact CD-CD1 4.48Å; K116-Y152 HydrophobicContact CD-CE1 4.05Å |
| 117 | L | 95.9 | Very high | 95.3 | Very high | 12 Ų | 12 | 48.4 Ų | 48.4 | 6% | 0.063 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 173 | -78.6 | 168.4 | 0 | 0 | 0 | 111.4 | V113 M114 F115 E119 V120 E121 Y149 K153 F156 | V113-L117 WeakPolarHBondContact O-CG 3.37Å; V113-L117 PolarHBondContact O-N 2.9Å; M114-L117 WeakPolarHBondContact O-CB 3.41Å; M114-L117 PolarHBondContact O-N 2.84Å; F115-L117 VanDerWaalsContact C-N 3.33Å; F115-L117 PolarHBondContact O-N 3.42Å; L117-E119 VanDerWaalsContact C-N 3.32Å; L117-E119 PolarHBondContact O-N 3.29Å; L117-V120 PolarHBondContact O-N 3.46Å; L117-E121 WeakPolarHBondContact O-CB 3.39Å; L117-E121 VanDerWaalsContact O-CG 3.24Å; L117-E121 WeakPolarHBondContact O-CG 3.37Å; L117-E121 PolarHBondContact O-N 3.47Å; L117-Y149 HydrophobicContact CD2-CD2 3.54Å; L117-Y149 HydrophobicContact CD2-CE2 3.38Å; L117-Y149 HydrophobicContact CD2-CG 4.35Å; L117-K153 HydrophobicContact CD2-CB 4.01Å; L117-F156 HydrophobicContact CD1-CB 3.6Å; L117-F156 HydrophobicContact CD1-CD1 4.21Å; L117-F156 HydrophobicContact CD1-CD2 4.41Å; L117-F156 HydrophobicContact CD1-CG 3.81Å |
| 118 | R | 95.1 | Very high | 94.7 | Very high | 56 Ų | 56 | 53.5 Ų | 53.5 | 21% | 0.211 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.9 | -42.7 | 179.3 | 171.2 | 173 | -179.6 | -177.3 | 0.8 | 112.1 | M114 F115 E121 Q122 | M114-R118 WeakPolarHBondContact O-CB 3.32Å; M114-R118 PolarHBondContact O-N 3.46Å; F115-R118 WeakPolarHBondContact O-CB 3.24Å; F115-R118 PolarHBondContact O-N 3.39Å; R118-E121 PolarHBondContact O-N 3.05Å; R118-Q122 HydrophobicContact CG-CG 4.33Å; R118-Q122 VanDerWaalsContact NE-NE2 3.2Å; R118-Q122 WeakPolarHBondContact O-CB 3.49Å; R118-Q122 VanDerWaalsContact O-CG 3.25Å; R118-Q122 WeakPolarHBondContact O-CG 3.41Å; R118-Q122 PolarHBondContact O-N 3.5Å |
| 119 | E | 95.8 | Very high | 94.1 | Very high | 114 Ų | 114 | 52.1 Ų | 52.1 | 53% | 0.533 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.9 | -51.2 | 177.5 | -73.4 | 170.8 | -176.3 | 0 | 0 | 111.3 | F115 K116 L117 E121 Q122 E123 | F115-E119 WeakPolarHBondContact O-CG 3.46Å; F115-E119 PolarHBondContact O-N 3.39Å; K116-E119 PolarHBondContact O-N 3.38Å; L117-E119 VanDerWaalsContact C-N 3.32Å; L117-E119 PolarHBondContact O-N 3.29Å; E119-E121 VanDerWaalsContact C-N 3.31Å; E119-E121 PolarHBondContact O-N 3.39Å; E119-Q122 WeakPolarHBondContact O-CB 3.19Å; E119-Q122 PolarHBondContact O-N 3.49Å; E119-Q122 VanDerWaalsContact O-N 3.14Å; E119-E123 WeakPolarHBondContact O-CG 3.46Å; E119-E123 PolarHBondContact O-N 3.46Å |
| 120 | V | 95.5 | Very high | 93.5 | Very high | 11 Ų | 11 | 56.2 Ų | 56.2 | 7% | 0.067 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.3 | -38.1 | 178.2 | -177.7 | 0 | 0 | 0 | 0 | 111.6 | K116 L117 Q122 E123 H124 L142 D146 Y149 | K116-V120 PolarHBondContact O-N 2.86Å; L117-V120 PolarHBondContact O-N 3.46Å; V120-Q122 VanDerWaalsContact C-N 3.34Å; V120-Q122 PolarHBondContact O-N 3.46Å; V120-E123 PolarHBondContact O-N 2.86Å; V120-H124 PolarHBondContact O-N 2.93Å; V120-H124 PolarHBondContact O-ND1 3.26Å; V120-L142 HydrophobicContact CG1-CD1 4.35Å; V120-D146 WeakPolarHBondContact CG1-OD2 3.44Å; V120-Y149 HydrophobicContact CB-CD2 4.2Å; V120-Y149 HydrophobicContact CG1-CD2 4.07Å; V120-Y149 HydrophobicContact CG1-CG 4.41Å |
| 121 | E | 94.6 | Very high | 92.3 | Very high | 9 Ų | 9 | 57 Ų | 57 | 4% | 0.042 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.4 | -40 | 175.6 | -72.1 | 171.6 | 177.6 | 0 | 0 | 112 | H44 L117 R118 E119 H124 G125 L126 Y139 L142 Y149 | H44-E121 IonicContact CD2-OE2 3.5Å; H44-E121 PolarHBondContact CD2-OE2 3.26Å; H44-E121 IonicContact CE1-OE2 3.93Å; H44-E121 IonicContact NE2-OE2 2.78Å; H44-E121 PolarHBondContact NE2-OE2 3.4Å; L117-E121 WeakPolarHBondContact O-CB 3.39Å; L117-E121 VanDerWaalsContact O-CG 3.24Å; L117-E121 WeakPolarHBondContact O-CG 3.37Å; L117-E121 PolarHBondContact O-N 3.47Å; R118-E121 PolarHBondContact O-N 3.05Å; E119-E121 VanDerWaalsContact C-N 3.31Å; E119-E121 PolarHBondContact O-N 3.39Å; E121-H124 CarbonylContact O-C 3.48Å; E121-H124 PolarHBondContact O-N 2.94Å; E121-G125 PolarHBondContact O-N 3.22Å; E121-L126 HydrophobicContact CB-CB 4.15Å; E121-L126 PolarHBondContact O-N 3.03Å; E121-Y139 HydrophobicContact CG-CE1 3.91Å; E121-Y139 WeakPolarHBondContact OE1-CE1 3.37Å; E121-L142 HydrophobicContact CG-CD2 4.3Å; E121-Y149 HydrophobicContact CG-CD2 4.4Å; E121-Y149 HydrophobicContact CG-CE2 3.57Å; E121-Y149 VanDerWaalsContact OE1-CE2 3.31Å; E121-Y149 WeakPolarHBondContact OE1-CE2 3.31Å; E121-Y149 PolarHBondContact OE1-OH 2.74Å |
| 122 | Q | 93.8 | Very high | 91.1 | Very high | 94 Ų | 94 | 60.7 Ų | 60.7 | 44% | 0.439 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 178 | -73.4 | 177.3 | -23.7 | 0 | 0 | 112.2 | R118 E119 V120 H124 G125 | R118-Q122 HydrophobicContact CG-CG 4.33Å; R118-Q122 VanDerWaalsContact NE-NE2 3.2Å; R118-Q122 WeakPolarHBondContact O-CB 3.49Å; R118-Q122 VanDerWaalsContact O-CG 3.25Å; R118-Q122 WeakPolarHBondContact O-CG 3.41Å; R118-Q122 PolarHBondContact O-N 3.5Å; E119-Q122 WeakPolarHBondContact O-CB 3.19Å; E119-Q122 PolarHBondContact O-N 3.49Å; E119-Q122 VanDerWaalsContact O-N 3.14Å; V120-Q122 VanDerWaalsContact C-N 3.34Å; V120-Q122 PolarHBondContact O-N 3.46Å; Q122-H124 PolarHBondContact O-N 3.37Å; Q122-G125 PolarHBondContact O-N 2.95Å |
| 123 | E | 93.8 | Very high | 89.8 | Confident | 150 Ų | 150 | 57.4 Ų | 57.4 | 70% | 0.701 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -57.5 | -29.1 | 174 | -70 | 174.1 | -179.7 | 0 | 0 | 112.4 | E119 V120 | E119-E123 WeakPolarHBondContact O-CG 3.46Å; E119-E123 PolarHBondContact O-N 3.46Å; V120-E123 PolarHBondContact O-N 2.86Å |
| 124 | H | 91.5 | Very high | 88.8 | Confident | 90 Ų | 90 | 58.7 Ų | 58.7 | 42% | 0.417 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 10.8 | -179.7 | -63.7 | 81.8 | 0 | 0 | 0 | 113.4 | V120 E121 Q122 L126 L142 D146 | V120-H124 PolarHBondContact O-N 2.93Å; V120-H124 PolarHBondContact O-ND1 3.26Å; E121-H124 CarbonylContact O-C 3.48Å; E121-H124 PolarHBondContact O-N 2.94Å; Q122-H124 PolarHBondContact O-N 3.37Å; H124-L126 VanDerWaalsContact C-N 3.32Å; H124-L126 PolarHBondContact O-N 3.46Å; H124-L142 HydrophobicContact CB-CD1 4.34Å; H124-L142 HydrophobicContact CB-CD2 4.48Å; H124-D146 IonicContact CE1-OD2 3.95Å |
| 125 | G | 90.7 | Very high | 88.2 | Confident | 54 Ų | 54 | 61.5 Ų | 61.5 | 56% | 0.557 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70 | 22 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115 | E121 Q122 | E121-G125 PolarHBondContact O-N 3.22Å; Q122-G125 PolarHBondContact O-N 2.95Å |
| 126 | L | 91.9 | Very high | 87.6 | Confident | 12 Ų | 12 | 67.2 Ų | 67.2 | 6% | 0.063 | 35% | 0.347 | C | S | . | . | trans | -101.6 | 163.8 | -179.8 | -60.1 | -178.8 | 0 | 0 | 0 | 112.5 | H44 E121 H124 A138 Y139 L142 | H44-L126 PolarHBondContact CE1-O 3.39Å; H44-L126 VanDerWaalsContact CE1-O 3.24Å; E121-L126 HydrophobicContact CB-CB 4.15Å; E121-L126 PolarHBondContact O-N 3.03Å; H124-L126 VanDerWaalsContact C-N 3.32Å; H124-L126 PolarHBondContact O-N 3.46Å; L126-A138 HydrophobicContact CD1-CB 4.45Å; L126-A138 HydrophobicContact CD2-CB 3.77Å; L126-Y139 HydrophobicContact CB-CE1 4.1Å; L126-Y139 HydrophobicContact CD1-CD1 3.92Å; L126-Y139 HydrophobicContact CD1-CE1 3.98Å; L126-Y139 HydrophobicContact CD1-CG 4.27Å; L126-L142 HydrophobicContact CD1-CB 4.33Å; L126-L142 HydrophobicContact CD1-CD2 3.78Å | ||
| 127 | G | 84.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 37% | 0.366 | C | S | . | . | S | Bend | trans | 96.4 | -5.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | T42 H44 Y139 | T42-G127 WeakPolarHBondContact CB-O 3.22Å; H44-G127 PolarHBondContact N-O 2.95Å; G127-Y139 WeakPolarHBondContact CA-OH 3.39Å; G127-Y139 PolarHBondContact N-OH 3.29Å; G127-Y139 VanDerWaalsContact N-OH 3.1Å |
| 128 | N | 85.5 | Confident | 87.1 | Confident | 114 Ų | 114 | 72.2 Ų | 72.2 | 61% | 0.61 | 38% | 0.377 | S | S | * | . | trans | -91.5 | 2.7 | 173.3 | -69.3 | -36.6 | 0 | 0 | 0 | 113.5 | T42 | T42-N128 WeakPolarHBondContact CG2-O 3.37Š| ||
| 129 | Q | 85 | Confident | 86.9 | Confident | 35 Ų | 35 | 70.8 Ų | 70.8 | 16% | 0.164 | 37% | 0.372 | C | S | . | . | trans | -84.4 | 142.3 | 179.7 | -51.8 | 86.6 | 29.1 | 0 | 0 | 110.9 | T42 S134 Q135 | T42-Q129 VanDerWaalsContact CA-O 3.29Å; T42-Q129 WeakPolarHBondContact CA-O 3.35Å; Q129-S134 VanDerWaalsContact CB-OG 3.3Å; Q129-S134 WeakPolarHBondContact CB-OG 3.48Å; Q129-Q135 HydrophobicContact CG-CG 3.92Å; Q129-Q135 VanDerWaalsContact NE2-CD 3.27Å | ||
| 130 | I | 86.3 | Confident | 86.8 | Confident | 111 Ų | 111 | 67.5 Ų | 67.5 | 57% | 0.569 | 36% | 0.364 | S | S | * | . | B | Isolated β-bridge | trans | -87.1 | 141.5 | 176.3 | -61.6 | 175 | 0 | 0 | 0 | 109.4 | Q40 T42 | Q40-I130 WeakPolarHBondContact O-CG2 3.46Å; T42-I130 HydrophobicContact CG2-CG1 3.84Å |
| 131 | G | 72.7 | Confident | 86.7 | Confident | 24 Ų | 24 | 72.5 Ų | 72.5 | 25% | 0.247 | 39% | 0.385 | C | S | . | . | S | Bend | trans | 93.3 | 142.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G133 S134 | G131-G133 PolarHBondContact O-N 3.2Å; G131-S134 PolarHBondContact O-N 2.87Å; G131-S134 PolarHBondContact O-OG 3.24Å |
| 132 | I | 71.9 | Confident | 86.7 | Confident | 107 Ų | 107 | 72.3 Ų | 72.3 | 55% | 0.549 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 126 | -178.9 | -57 | 173.6 | 0 | 0 | 0 | 110.2 | V38 K39 S134 | V38-I132 HydrophobicContact CB-CG1 4.42Å; V38-I132 HydrophobicContact CG1-CD1 3.61Å; V38-I132 HydrophobicContact CG1-CG1 4.01Å; V38-I132 HydrophobicContact CG2-CD1 4.39Å; V38-I132 HydrophobicContact CG2-CG1 3.95Å; V38-I132 WeakPolarHBondContact O-CG1 3.31Å; K39-I132 HydrophobicContact CG-CD1 3.88Å; K39-I132 HydrophobicContact CG-CG1 4.38Å; I132-S134 VanDerWaalsContact C-N 3.29Å; I132-S134 PolarHBondContact O-N 2.9Å |
| 133 | G | 70.4 | Confident | 86.6 | Confident | 36 Ų | 36 | 73.9 Ų | 73.9 | 37% | 0.371 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 9.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | G131 R136 | G131-G133 PolarHBondContact O-N 3.2Å; G133-R136 WeakPolarHBondContact O-CG 3.43Å; G133-R136 PolarHBondContact O-N 3.46Å |
| 134 | S | 78.2 | Confident | 86.7 | Confident | 38 Ų | 38 | 74.1 Ų | 74.1 | 27% | 0.266 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 139.3 | 162 | 52.3 | 0 | 0 | 0 | 0 | 109.8 | Q129 G131 I132 R136 | Q129-S134 VanDerWaalsContact CB-OG 3.3Å; Q129-S134 WeakPolarHBondContact CB-OG 3.48Å; G131-S134 PolarHBondContact O-N 2.87Å; G131-S134 PolarHBondContact O-OG 3.24Å; I132-S134 VanDerWaalsContact C-N 3.29Å; I132-S134 PolarHBondContact O-N 2.9Å; S134-R136 VanDerWaalsContact C-N 3.26Å; S134-R136 PolarHBondContact O-N 3.48Å; S134-R136 VanDerWaalsContact O-N 3.15Å |
| 135 | Q | 83.6 | Confident | 86.8 | Confident | 87 Ų | 87 | 76.8 Ų | 76.8 | 41% | 0.407 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 32.9 | 179.5 | -58.6 | -170.1 | -15 | 0 | 0 | 116 | Q129 E137 A138 Y139 | Q129-Q135 HydrophobicContact CG-CG 3.92Å; Q129-Q135 VanDerWaalsContact NE2-CD 3.27Å; Q135-E137 PolarHBondContact O-N 2.85Å; Q135-E137 VanDerWaalsContact O-N 3.08Å; Q135-A138 HydrophobicContact CB-CB 4.13Å; Q135-A138 PolarHBondContact O-N 2.89Å; Q135-Y139 HydrophobicContact CB-CD2 4.3Å; Q135-Y139 HydrophobicContact CB-CE2 4.39Å; Q135-Y139 WeakPolarHBondContact O-CD2 3.33Å; Q135-Y139 PolarHBondContact O-N 3.32Å; Q135-Y139 VanDerWaalsContact O-N 3.08Å |
| 136 | R | 86 | Confident | 86.9 | Confident | 191 Ų | 191 | 75.4 Ų | 75.4 | 72% | 0.721 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -44.8 | -43.3 | 176.3 | -98.6 | 176.1 | 178.6 | -176.5 | 1.4 | 114 | G133 S134 Y139 A140 | G133-R136 WeakPolarHBondContact O-CG 3.43Å; G133-R136 PolarHBondContact O-N 3.46Å; S134-R136 VanDerWaalsContact C-N 3.26Å; S134-R136 PolarHBondContact O-N 3.48Å; S134-R136 VanDerWaalsContact O-N 3.15Å; R136-Y139 PolarHBondContact O-N 2.91Å; R136-A140 WeakPolarHBondContact O-CB 3.48Å; R136-A140 PolarHBondContact O-N 3.43Å |
| 137 | E | 90.6 | Very high | 87.1 | Confident | 149 Ų | 149 | 79.8 Ų | 79.8 | 70% | 0.696 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -65.5 | -40.5 | 179.1 | -66.6 | -178.1 | -173.1 | 0 | 0 | 112.8 | Q135 A140 K141 | Q135-E137 PolarHBondContact O-N 2.85Å; Q135-E137 VanDerWaalsContact O-N 3.08Å; E137-A140 PolarHBondContact O-N 2.94Å; E137-K141 WeakPolarHBondContact O-CG 3.24Å; E137-K141 PolarHBondContact O-N 2.89Å |
| 138 | A | 91.1 | Very high | 87.5 | Confident | 35 Ų | 35 | 86.4 Ų | 86.4 | 29% | 0.289 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.3 | -41.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L126 Q135 A140 K141 L142 | L126-A138 HydrophobicContact CD1-CB 4.45Å; L126-A138 HydrophobicContact CD2-CB 3.77Å; Q135-A138 HydrophobicContact CB-CB 4.13Å; Q135-A138 PolarHBondContact O-N 2.89Å; A138-A140 VanDerWaalsContact C-N 3.33Å; A138-A140 PolarHBondContact O-N 3.48Å; A138-K141 PolarHBondContact O-N 3.5Å; A138-L142 WeakPolarHBondContact O-CB 3.31Å; A138-L142 PolarHBondContact O-N 3.01Å |
| 139 | Y | 91.7 | Very high | 88 | Confident | 26 Ų | 26 | 81.1 Ų | 81.1 | 10% | 0.102 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -65.6 | -32.9 | 173.3 | -79.4 | -72.4 | 0 | 0 | 0 | 113.5 | E121 L126 G127 Q135 R136 R143 Y149 | E121-Y139 HydrophobicContact CG-CE1 3.91Å; E121-Y139 WeakPolarHBondContact OE1-CE1 3.37Å; L126-Y139 HydrophobicContact CB-CE1 4.1Å; L126-Y139 HydrophobicContact CD1-CD1 3.92Å; L126-Y139 HydrophobicContact CD1-CE1 3.98Å; L126-Y139 HydrophobicContact CD1-CG 4.27Å; G127-Y139 WeakPolarHBondContact CA-OH 3.39Å; G127-Y139 PolarHBondContact N-OH 3.29Å; G127-Y139 VanDerWaalsContact N-OH 3.1Å; Q135-Y139 HydrophobicContact CB-CD2 4.3Å; Q135-Y139 HydrophobicContact CB-CE2 4.39Å; Q135-Y139 WeakPolarHBondContact O-CD2 3.33Å; Q135-Y139 PolarHBondContact O-N 3.32Å; Q135-Y139 VanDerWaalsContact O-N 3.08Å; R136-Y139 PolarHBondContact O-N 2.91Å; Y139-R143 WeakPolarHBondContact O-CB 3.5Å; Y139-R143 PolarHBondContact O-N 3.38Å; Y139-R143 VanDerWaalsContact O-N 3.16Å; Y139-Y149 WeakPolarHBondContact CD1-OH 3.33Å |
| 140 | A | 92.4 | Very high | 88.6 | Confident | 44 Ų | 44 | 85.6 Ų | 85.6 | 36% | 0.364 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -68.1 | -47.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | R136 E137 A138 L142 R143 E144 | R136-A140 WeakPolarHBondContact O-CB 3.48Å; R136-A140 PolarHBondContact O-N 3.43Å; E137-A140 PolarHBondContact O-N 2.94Å; A138-A140 VanDerWaalsContact C-N 3.33Å; A138-A140 PolarHBondContact O-N 3.48Å; A140-L142 PolarHBondContact O-N 3.44Å; A140-R143 WeakPolarHBondContact O-CB 3.34Å; A140-R143 PolarHBondContact O-N 3.44Å; A140-R143 VanDerWaalsContact O-N 3.16Å; A140-E144 PolarHBondContact O-N 3.43Å; A140-E144 VanDerWaalsContact O-N 3.13Å |
| 141 | K | 94.3 | Very high | 89.1 | Confident | 117 Ų | 117 | 82.7 Ų | 82.7 | 51% | 0.509 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -58.2 | -46.8 | 174.8 | -73.2 | 174.6 | -178.6 | 176.4 | 0 | 111.8 | E137 A138 R143 E144 Q145 | E137-K141 WeakPolarHBondContact O-CG 3.24Å; E137-K141 PolarHBondContact O-N 2.89Å; A138-K141 PolarHBondContact O-N 3.5Å; K141-R143 VanDerWaalsContact C-N 3.28Å; K141-R143 PolarHBondContact O-N 2.92Å; K141-E144 PolarHBondContact O-N 3.02Å; K141-Q145 WeakPolarHBondContact O-CB 3.3Å; K141-Q145 VanDerWaalsContact O-CG 3.3Å; K141-Q145 WeakPolarHBondContact O-CG 3.32Å; K141-Q145 PolarHBondContact O-N 3.3Å |
| 142 | L | 93.7 | Very high | 90.3 | Very high | 4 Ų | 4 | 85.3 Ų | 85.3 | 2% | 0.021 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -58 | -41.1 | 176.4 | 179 | 59.5 | 0 | 0 | 0 | 111.8 | V120 E121 H124 L126 A138 A140 E144 Q145 D146 Y149 | V120-L142 HydrophobicContact CG1-CD1 4.35Å; E121-L142 HydrophobicContact CG-CD2 4.3Å; H124-L142 HydrophobicContact CB-CD1 4.34Å; H124-L142 HydrophobicContact CB-CD2 4.48Å; L126-L142 HydrophobicContact CD1-CB 4.33Å; L126-L142 HydrophobicContact CD1-CD2 3.78Å; A138-L142 WeakPolarHBondContact O-CB 3.31Å; A138-L142 PolarHBondContact O-N 3.01Å; A140-L142 PolarHBondContact O-N 3.44Å; L142-E144 VanDerWaalsContact C-N 3.27Å; L142-E144 PolarHBondContact O-N 2.97Å; L142-Q145 PolarHBondContact O-N 2.9Å; L142-D146 HydrophobicContact CD1-CB 3.86Å; L142-D146 WeakPolarHBondContact O-CB 3.32Å; L142-D146 PolarHBondContact O-N 3.2Å; L142-Y149 HydrophobicContact CB-CD1 4.43Å; L142-Y149 HydrophobicContact CD2-CD1 4.04Å; L142-Y149 HydrophobicContact CD2-CD2 3.86Å; L142-Y149 HydrophobicContact CD2-CE1 4.08Å; L142-Y149 HydrophobicContact CD2-CE2 3.93Å; L142-Y149 HydrophobicContact CD2-CG 3.94Å; L142-Y149 HydrophobicContact CG-CD1 3.75Å; L142-Y149 HydrophobicContact CG-CD2 4.29Å; L142-Y149 HydrophobicContact CG-CE1 4.13Å; L142-Y149 HydrophobicContact CG-CG 3.84Å |
| 143 | R | 93.3 | Very high | 91.4 | Very high | 127 Ų | 127 | 83.7 Ų | 83.7 | 48% | 0.479 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.2 | -28.4 | 177 | -165 | -176.2 | 76.2 | 169.7 | 2.1 | 113.8 | Y139 A140 K141 Y149 K150 | Y139-R143 WeakPolarHBondContact O-CB 3.5Å; Y139-R143 PolarHBondContact O-N 3.38Å; Y139-R143 VanDerWaalsContact O-N 3.16Å; A140-R143 WeakPolarHBondContact O-CB 3.34Å; A140-R143 PolarHBondContact O-N 3.44Å; A140-R143 VanDerWaalsContact O-N 3.16Å; K141-R143 VanDerWaalsContact C-N 3.28Å; K141-R143 PolarHBondContact O-N 2.92Å; R143-Y149 HydrophobicContact CB-CD1 4.14Å; R143-Y149 HydrophobicContact CB-CE1 4.24Å; R143-Y149 HydrophobicContact CG-CD1 4.5Å; R143-K150 HydrophobicContact CG-CB 4.18Å; R143-K150 HydrophobicContact CG-CG 4.13Å |
| 144 | E | 94.3 | Very high | 92.7 | Very high | 156 Ų | 156 | 84.9 Ų | 84.9 | 73% | 0.729 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -83.1 | -35.9 | 176.8 | -70.5 | 174.6 | -178.5 | 0 | 0 | 112 | A140 K141 L142 | A140-E144 PolarHBondContact O-N 3.43Å; A140-E144 VanDerWaalsContact O-N 3.13Å; K141-E144 PolarHBondContact O-N 3.02Å; L142-E144 VanDerWaalsContact C-N 3.27Å; L142-E144 PolarHBondContact O-N 2.97Å |
| 145 | Q | 94.1 | Very high | 93.6 | Very high | 145 Ų | 145 | 85.8 Ų | 85.8 | 68% | 0.678 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -85.7 | -33.3 | -174 | -68.5 | 175.3 | -5.4 | 0 | 0 | 113.5 | K141 L142 P147 | K141-Q145 WeakPolarHBondContact O-CB 3.3Å; K141-Q145 VanDerWaalsContact O-CG 3.3Å; K141-Q145 WeakPolarHBondContact O-CG 3.32Å; K141-Q145 PolarHBondContact O-N 3.3Å; L142-Q145 PolarHBondContact O-N 2.9Å; Q145-P147 WeakPolarHBondContact O-CD 3.41Å |
| 146 | D | 94.1 | Very high | 94.3 | Very high | 26 Ų | 26 | 84 Ų | 84 | 14% | 0.139 | 41% | 0.41 | C | S | . | . | trans | -109.8 | 107 | -177.2 | -169.7 | -39.6 | 0 | 0 | 0 | 111.5 | V120 H124 L142 K148 Y149 K150 | V120-D146 WeakPolarHBondContact CG1-OD2 3.44Å; H124-D146 IonicContact CE1-OD2 3.95Å; L142-D146 HydrophobicContact CD1-CB 3.86Å; L142-D146 WeakPolarHBondContact O-CB 3.32Å; L142-D146 PolarHBondContact O-N 3.2Å; D146-K148 VanDerWaalsContact C-N 3.3Å; D146-K148 PolarHBondContact O-N 2.96Å; D146-K148 VanDerWaalsContact OD1-CA 3.32Å; D146-K148 WeakPolarHBondContact OD1-CA 3.42Å; D146-K148 WeakPolarHBondContact OD1-CB 3.23Å; D146-K148 PolarHBondContact OD1-N 2.76Å; D146-Y149 PolarHBondContact O-N 3Å; D146-Y149 PolarHBondContact OD1-N 3.42Å; D146-K150 PolarHBondContact O-N 3.46Å | ||
| 147 | P | 94.4 | Very high | 94.8 | Very high | 103 Ų | 103 | 76.9 Ų | 76.9 | 67% | 0.669 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -61.9 | -32.5 | 176.8 | -23.5 | 34.1 | 0 | 0 | 0 | 114.1 | Q145 A151 | Q145-P147 WeakPolarHBondContact O-CD 3.41Å; P147-A151 WeakPolarHBondContact O-CB 3.44Å; P147-A151 PolarHBondContact O-N 2.93Å |
| 148 | K | 94.5 | Very high | 95.1 | Very high | 139 Ų | 139 | 75.8 Ų | 75.8 | 60% | 0.604 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -68.6 | -46.2 | 177.7 | -59.8 | 173.6 | 179.2 | 174 | 0 | 109.8 | D146 K150 A151 Y152 | D146-K148 VanDerWaalsContact C-N 3.3Å; D146-K148 PolarHBondContact O-N 2.96Å; D146-K148 VanDerWaalsContact OD1-CA 3.32Å; D146-K148 WeakPolarHBondContact OD1-CA 3.42Å; D146-K148 WeakPolarHBondContact OD1-CB 3.23Å; D146-K148 PolarHBondContact OD1-N 2.76Å; K148-K150 VanDerWaalsContact C-N 3.31Å; K148-K150 PolarHBondContact O-N 2.96Å; K148-A151 PolarHBondContact O-N 2.86Å; K148-Y152 HydrophobicContact CB-CD2 4.5Å; K148-Y152 HydrophobicContact CB-CE2 4.1Å; K148-Y152 VanDerWaalsContact O-CD2 3.31Å; K148-Y152 WeakPolarHBondContact O-CD2 3.33Å; K148-Y152 PolarHBondContact O-N 3.31Å |
| 149 | Y | 95.9 | Very high | 95.4 | Very high | 4 Ų | 4 | 78 Ų | 78 | 2% | 0.016 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -58 | -45.6 | 175.7 | -174.2 | -104.7 | 0 | 0 | 0 | 111.3 | L117 V120 E121 Y139 L142 R143 D146 A151 Y152 K153 | L117-Y149 HydrophobicContact CD2-CD2 3.54Å; L117-Y149 HydrophobicContact CD2-CE2 3.38Å; L117-Y149 HydrophobicContact CD2-CG 4.35Å; V120-Y149 HydrophobicContact CB-CD2 4.2Å; V120-Y149 HydrophobicContact CG1-CD2 4.07Å; V120-Y149 HydrophobicContact CG1-CG 4.41Å; E121-Y149 HydrophobicContact CG-CD2 4.4Å; E121-Y149 HydrophobicContact CG-CE2 3.57Å; E121-Y149 VanDerWaalsContact OE1-CE2 3.31Å; E121-Y149 WeakPolarHBondContact OE1-CE2 3.31Å; E121-Y149 PolarHBondContact OE1-OH 2.74Å; Y139-Y149 WeakPolarHBondContact CD1-OH 3.33Å; L142-Y149 HydrophobicContact CB-CD1 4.43Å; L142-Y149 HydrophobicContact CD2-CD1 4.04Å; L142-Y149 HydrophobicContact CD2-CD2 3.86Å; L142-Y149 HydrophobicContact CD2-CE1 4.08Å; L142-Y149 HydrophobicContact CD2-CE2 3.93Å; L142-Y149 HydrophobicContact CD2-CG 3.94Å; L142-Y149 HydrophobicContact CG-CD1 3.75Å; L142-Y149 HydrophobicContact CG-CD2 4.29Å; L142-Y149 HydrophobicContact CG-CE1 4.13Å; L142-Y149 HydrophobicContact CG-CG 3.84Å; R143-Y149 HydrophobicContact CB-CD1 4.14Å; R143-Y149 HydrophobicContact CB-CE1 4.24Å; R143-Y149 HydrophobicContact CG-CD1 4.5Å; D146-Y149 PolarHBondContact O-N 3Å; D146-Y149 PolarHBondContact OD1-N 3.42Å; Y149-A151 PolarHBondContact O-N 3.45Å; Y149-Y152 PolarHBondContact O-N 3.22Å; Y149-K153 HydrophobicContact CE1-CD 3.78Å; Y149-K153 WeakPolarHBondContact O-CB 3.34Å; Y149-K153 PolarHBondContact O-N 2.86Å; Y149-K153 PolarHBondContact OH-NZ 2.85Å |
| 150 | K | 96.6 | Very high | 95.7 | Very high | 129 Ų | 129 | 79.4 Ų | 79.4 | 56% | 0.561 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -59.1 | -45.1 | 176.6 | -174.5 | 178.9 | 178 | -179 | 0 | 112.2 | R143 D146 K148 K153 S154 | R143-K150 HydrophobicContact CG-CB 4.18Å; R143-K150 HydrophobicContact CG-CG 4.13Å; D146-K150 PolarHBondContact O-N 3.46Å; K148-K150 VanDerWaalsContact C-N 3.31Å; K148-K150 PolarHBondContact O-N 2.96Å; K150-K153 PolarHBondContact O-N 3.42Å; K150-S154 PolarHBondContact O-N 3.44Å; K150-S154 VanDerWaalsContact O-N 3.1Å |
| 151 | A | 97 | Very high | 95.9 | Very high | 50 Ų | 50 | 79 Ų | 79 | 41% | 0.413 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.3 | -52.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | P147 K148 Y149 K153 S154 T155 | P147-A151 WeakPolarHBondContact O-CB 3.44Å; P147-A151 PolarHBondContact O-N 2.93Å; K148-A151 PolarHBondContact O-N 2.86Å; Y149-A151 PolarHBondContact O-N 3.45Å; A151-K153 VanDerWaalsContact C-N 3.28Å; A151-K153 PolarHBondContact O-N 3.42Å; A151-S154 WeakPolarHBondContact O-CB 3.34Å; A151-S154 PolarHBondContact O-N 2.91Å; A151-T155 PolarHBondContact O-N 3.35Å; A151-T155 PolarHBondContact O-OG1 2.88Å; A151-T155 VanDerWaalsContact O-OG1 3.14Å |
| 152 | Y | 97.6 | Very high | 96.1 | Very high | 78 Ų | 78 | 77.2 Ų | 77.2 | 31% | 0.306 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.9 | -38.2 | 178.2 | -62.9 | -33.6 | 0 | 0 | 0 | 112.3 | V113 K116 K148 Y149 S154 T155 F156 | V113-Y152 WeakPolarHBondContact CG1-O 3.36Å; K116-Y152 HydrophobicContact CB-CD2 3.99Å; K116-Y152 HydrophobicContact CB-CE2 4Å; K116-Y152 HydrophobicContact CB-CG 4.3Å; K116-Y152 HydrophobicContact CD-CD1 4.48Å; K116-Y152 HydrophobicContact CD-CE1 4.05Å; K148-Y152 HydrophobicContact CB-CD2 4.5Å; K148-Y152 HydrophobicContact CB-CE2 4.1Å; K148-Y152 VanDerWaalsContact O-CD2 3.31Å; K148-Y152 WeakPolarHBondContact O-CD2 3.33Å; K148-Y152 PolarHBondContact O-N 3.31Å; Y149-Y152 PolarHBondContact O-N 3.22Å; Y152-S154 VanDerWaalsContact C-N 3.35Å; Y152-S154 PolarHBondContact O-N 3.22Å; Y152-T155 PolarHBondContact O-N 3.43Å; Y152-F156 VanDerWaalsContact O-CB 3.26Å; Y152-F156 WeakPolarHBondContact O-CB 3.3Å; Y152-F156 PolarHBondContact O-N 3.11Å |
| 153 | K | 96 | Very high | 96.3 | Very high | 73 Ų | 73 | 77.3 Ų | 77.3 | 32% | 0.317 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.2 | -39.5 | 179.3 | -171.5 | 165.6 | -168.7 | 152.7 | 0 | 111.8 | L117 Y149 K150 A151 G157 | L117-K153 HydrophobicContact CD2-CB 4.01Å; Y149-K153 HydrophobicContact CE1-CD 3.78Å; Y149-K153 WeakPolarHBondContact O-CB 3.34Å; Y149-K153 PolarHBondContact O-N 2.86Å; Y149-K153 PolarHBondContact OH-NZ 2.85Å; K150-K153 PolarHBondContact O-N 3.42Å; A151-K153 VanDerWaalsContact C-N 3.28Å; A151-K153 PolarHBondContact O-N 3.42Å; K153-G157 PolarHBondContact O-N 3.45Å |
| 154 | S | 96.9 | Very high | 96.5 | Very high | 61 Ų | 61 | 74.7 Ų | 74.7 | 43% | 0.427 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.7 | -53.1 | 172.2 | -174.9 | 0 | 0 | 0 | 0 | 110.6 | K150 A151 Y152 F156 G157 H158 | K150-S154 PolarHBondContact O-N 3.44Å; K150-S154 VanDerWaalsContact O-N 3.1Å; A151-S154 WeakPolarHBondContact O-CB 3.34Å; A151-S154 PolarHBondContact O-N 2.91Å; Y152-S154 VanDerWaalsContact C-N 3.35Å; Y152-S154 PolarHBondContact O-N 3.22Å; S154-F156 VanDerWaalsContact C-N 3.34Å; S154-F156 PolarHBondContact O-N 3.33Å; S154-G157 PolarHBondContact O-N 2.91Å; S154-G157 VanDerWaalsContact O-N 3.12Å; S154-H158 PolarHBondContact O-N 3.45Å; S154-H158 PolarHBondContact O-ND1 3.28Å; S154-H158 PolarHBondContact OG-CE1 3.17Å |
| 155 | T | 97.7 | Very high | 96.7 | Very high | 57 Ų | 57 | 71.7 Ų | 71.7 | 35% | 0.35 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.1 | -42.7 | -179.1 | -56 | 0 | 0 | 0 | 0 | 112.2 | V113 A151 Y152 H158 Y159 | V113-T155 HydrophobicContact CG1-CG2 4.47Å; V113-T155 HydrophobicContact CG2-CG2 3.98Å; A151-T155 PolarHBondContact O-N 3.35Å; A151-T155 PolarHBondContact O-OG1 2.88Å; A151-T155 VanDerWaalsContact O-OG1 3.14Å; Y152-T155 PolarHBondContact O-N 3.43Å; T155-H158 PolarHBondContact O-N 3.29Å; T155-Y159 HydrophobicContact CG2-CD2 3.75Å; T155-Y159 HydrophobicContact CG2-CE2 3.58Å; T155-Y159 WeakPolarHBondContact O-CD2 3.48Å; T155-Y159 PolarHBondContact O-N 3.2Å; T155-Y159 VanDerWaalsContact O-N 3.08Å |
| 156 | F | 97.5 | Very high | 96.9 | Very high | 51 Ų | 51 | 65.3 Ų | 65.3 | 22% | 0.224 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.1 | -48.2 | 173.9 | 175 | -101.3 | 0 | 0 | 0 | 111.1 | A110 V113 M114 L117 Y152 S154 H158 Y159 H160 | A110-F156 HydrophobicContact CB-CE2 4.48Å; A110-F156 WeakPolarHBondContact O-CD2 3.44Å; V113-F156 HydrophobicContact CB-CB 4.42Å; V113-F156 HydrophobicContact CG1-CB 3.83Å; M114-F156 HydrophobicContact CB-CD2 4.02Å; M114-F156 HydrophobicContact CB-CE2 3.81Å; M114-F156 HydrophobicContact CG-CE2 4.3Å; L117-F156 HydrophobicContact CD1-CB 3.6Å; L117-F156 HydrophobicContact CD1-CD1 4.21Å; L117-F156 HydrophobicContact CD1-CD2 4.41Å; L117-F156 HydrophobicContact CD1-CG 3.81Å; Y152-F156 VanDerWaalsContact O-CB 3.26Å; Y152-F156 WeakPolarHBondContact O-CB 3.3Å; Y152-F156 PolarHBondContact O-N 3.11Å; S154-F156 VanDerWaalsContact C-N 3.34Å; S154-F156 PolarHBondContact O-N 3.33Å; F156-H158 VanDerWaalsContact C-N 3.27Å; F156-H158 PolarHBondContact O-N 3.02Å; F156-Y159 PolarHBondContact O-N 3.46Å; F156-H160 HydrophobicContact CD1-CB 4.45Å; F156-H160 HydrophobicContact CE1-CB 4.1Å; F156-H160 HydrophobicContact CE2-CB 4.2Å; F156-H160 HydrophobicContact CZ-CB 3.97Å; F156-H160 AromaticContact CZ-CG 3.91Å; F156-H160 WeakPolarHBondContact O-CB 3.13Å; F156-H160 PolarHBondContact O-N 3.49Å |
| 157 | G | 96.4 | Very high | 97.1 | Very high | 40 Ų | 40 | 64.9 Ų | 64.9 | 41% | 0.412 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57 | -39.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | K153 S154 G161 | K153-G157 PolarHBondContact O-N 3.45Å; S154-G157 PolarHBondContact O-N 2.91Å; S154-G157 VanDerWaalsContact O-N 3.12Å; G157-G161 PolarHBondContact O-N 3.36Å |
| 158 | H | 97.9 | Very high | 97.3 | Very high | 126 Ų | 126 | 63.9 Ų | 63.9 | 58% | 0.583 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65.7 | -54.8 | 176.2 | -71.3 | 86.8 | 0 | 0 | 0 | 112.1 | S154 T155 F156 G161 L162 | S154-H158 PolarHBondContact O-N 3.45Å; S154-H158 PolarHBondContact O-ND1 3.28Å; S154-H158 PolarHBondContact OG-CE1 3.17Å; T155-H158 PolarHBondContact O-N 3.29Å; F156-H158 VanDerWaalsContact C-N 3.27Å; F156-H158 PolarHBondContact O-N 3.02Å; H158-G161 PolarHBondContact O-N 2.89Å; H158-L162 WeakPolarHBondContact O-CB 3.22Å; H158-L162 WeakPolarHBondContact O-CG 3.4Å; H158-L162 PolarHBondContact O-N 2.93Å |
| 159 | Y | 98 | Very high | 97.5 | Very high | 81 Ų | 81 | 59.8 Ų | 59.8 | 32% | 0.318 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.7 | -41.1 | -179.2 | -74.9 | -62.3 | 0 | 0 | 0 | 112.8 | F106 T155 F156 L162 S163 | F106-Y159 HydrophobicContact CD1-CD1 4.05Å; F106-Y159 HydrophobicContact CD1-CE1 4.44Å; T155-Y159 HydrophobicContact CG2-CD2 3.75Å; T155-Y159 HydrophobicContact CG2-CE2 3.58Å; T155-Y159 WeakPolarHBondContact O-CD2 3.48Å; T155-Y159 PolarHBondContact O-N 3.2Å; T155-Y159 VanDerWaalsContact O-N 3.08Å; F156-Y159 PolarHBondContact O-N 3.46Å; Y159-L162 PolarHBondContact O-N 3.01Å; Y159-S163 VanDerWaalsContact O-CB 3.26Å; Y159-S163 WeakPolarHBondContact O-CB 3.31Å; Y159-S163 PolarHBondContact O-N 3.3Å |
| 160 | H | 96.8 | Very high | 97.6 | Very high | 56 Ų | 56 | 59.8 Ų | 59.8 | 26% | 0.259 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 176.4 | -176.1 | 64.1 | 0 | 0 | 0 | 111.4 | F156 S163 N164 | F156-H160 HydrophobicContact CD1-CB 4.45Å; F156-H160 HydrophobicContact CE1-CB 4.1Å; F156-H160 HydrophobicContact CE2-CB 4.2Å; F156-H160 HydrophobicContact CZ-CB 3.97Å; F156-H160 AromaticContact CZ-CG 3.91Å; F156-H160 WeakPolarHBondContact O-CB 3.13Å; F156-H160 PolarHBondContact O-N 3.49Å; H160-S163 PolarHBondContact O-N 2.94Å; H160-N164 PolarHBondContact CD2-ND2 3.48Å; H160-N164 PolarHBondContact CE1-ND2 3.44Å; H160-N164 PolarHBondContact NE2-ND2 2.94Å; H160-N164 WeakPolarHBondContact O-CB 3.23Å; H160-N164 VanDerWaalsContact O-CG 3.3Å; H160-N164 PolarHBondContact O-N 3.33Å; H160-N164 PolarHBondContact O-ND2 2.92Å |
| 161 | G | 97.7 | Very high | 97.7 | Very high | 36 Ų | 36 | 55.2 Ų | 55.2 | 37% | 0.371 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.1 | -47.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G157 H158 S163 N164 L165 | G157-G161 PolarHBondContact O-N 3.36Å; H158-G161 PolarHBondContact O-N 2.89Å; G161-S163 VanDerWaalsContact C-N 3.32Å; G161-S163 PolarHBondContact O-N 2.92Å; G161-N164 PolarHBondContact O-N 3.36Å; G161-L165 WeakPolarHBondContact O-CB 3.49Å; G161-L165 PolarHBondContact O-N 2.88Å |
| 162 | L | 98.3 | Very high | 97.7 | Very high | 79 Ų | 79 | 57.1 Ų | 57.1 | 41% | 0.414 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.3 | -42.6 | 174.7 | -72.5 | 173.4 | 0 | 0 | 0 | 111.7 | F106 H158 Y159 N164 L165 C166 | F106-L162 HydrophobicContact CD1-CB 4.46Å; F106-L162 HydrophobicContact CD2-CB 4.18Å; F106-L162 HydrophobicContact CE1-CD1 4.08Å; F106-L162 HydrophobicContact CE2-CB 4.24Å; F106-L162 HydrophobicContact CG-CB 4.3Å; F106-L162 HydrophobicContact CZ-CB 4.42Å; F106-L162 HydrophobicContact CZ-CD1 4.29Å; H158-L162 WeakPolarHBondContact O-CB 3.22Å; H158-L162 WeakPolarHBondContact O-CG 3.4Å; H158-L162 PolarHBondContact O-N 2.93Å; Y159-L162 PolarHBondContact O-N 3.01Å; L162-N164 PolarHBondContact O-N 3.35Å; L162-L165 PolarHBondContact O-N 3.14Å; L162-C166 PolarHBondContact O-N 3.39Å; L162-C166 PolarHBondContact O-SG 2.92Å |
| 163 | S | 98.1 | Very high | 97.8 | Very high | 6 Ų | 6 | 53.5 Ų | 53.5 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 178.8 | -176.8 | 0 | 0 | 0 | 0 | 112.2 | N102 Y159 H160 G161 L165 C166 N167 | N102-S163 PolarHBondContact ND2-O 2.99Å; N102-S163 WeakPolarHBondContact OD1-CA 3.18Å; N102-S163 VanDerWaalsContact OD1-CB 3.23Å; N102-S163 WeakPolarHBondContact OD1-CB 3.09Å; N102-S163 PolarHBondContact OD1-O 3.38Å; N102-S163 PolarHBondContact OD1-OG 3.48Å; Y159-S163 VanDerWaalsContact O-CB 3.26Å; Y159-S163 WeakPolarHBondContact O-CB 3.31Å; Y159-S163 PolarHBondContact O-N 3.3Å; H160-S163 PolarHBondContact O-N 2.94Å; G161-S163 VanDerWaalsContact C-N 3.32Å; G161-S163 PolarHBondContact O-N 2.92Å; S163-L165 VanDerWaalsContact C-N 3.34Å; S163-L165 PolarHBondContact O-N 2.85Å; S163-C166 PolarHBondContact O-N 3.36Å; S163-N167 WeakPolarHBondContact O-CB 3.36Å; S163-N167 PolarHBondContact O-N 3.26Å |
| 164 | N | 97.3 | Very high | 97.8 | Very high | 72 Ų | 72 | 50 Ų | 50 | 39% | 0.385 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.3 | -39.5 | 175.7 | -73.5 | -25.9 | 0 | 0 | 0 | 112 | H160 G161 L162 N167 L168 | H160-N164 PolarHBondContact CD2-ND2 3.48Å; H160-N164 PolarHBondContact CE1-ND2 3.44Å; H160-N164 PolarHBondContact NE2-ND2 2.94Å; H160-N164 WeakPolarHBondContact O-CB 3.23Å; H160-N164 VanDerWaalsContact O-CG 3.3Å; H160-N164 PolarHBondContact O-N 3.33Å; H160-N164 PolarHBondContact O-ND2 2.92Å; G161-N164 PolarHBondContact O-N 3.36Å; L162-N164 PolarHBondContact O-N 3.35Å; N164-N167 PolarHBondContact O-N 3.5Å; N164-L168 WeakPolarHBondContact O-CB 3.44Å; N164-L168 PolarHBondContact O-N 3.37Å |
| 165 | L | 98.3 | Very high | 97.9 | Very high | 94 Ų | 94 | 49 Ų | 49 | 49% | 0.492 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.1 | -47.9 | 176.3 | 179.9 | 62.1 | 0 | 0 | 0 | 111.3 | G161 L162 S163 N167 L168 I169 | G161-L165 WeakPolarHBondContact O-CB 3.49Å; G161-L165 PolarHBondContact O-N 2.88Å; L162-L165 PolarHBondContact O-N 3.14Å; S163-L165 VanDerWaalsContact C-N 3.34Å; S163-L165 PolarHBondContact O-N 2.85Å; L165-N167 VanDerWaalsContact C-N 3.28Å; L165-N167 PolarHBondContact O-N 3.22Å; L165-L168 PolarHBondContact O-N 2.93Å; L165-I169 HydrophobicContact CD1-CD1 4.05Å; L165-I169 HydrophobicContact CD1-CG1 4.3Å; L165-I169 HydrophobicContact CG-CD1 3.94Å; L165-I169 VanDerWaalsContact O-CG1 3.32Å; L165-I169 WeakPolarHBondContact O-CG1 3.38Å; L165-I169 PolarHBondContact O-N 3.45Å |
| 166 | C | 98.2 | Very high | 97.8 | Very high | 10 Ų | 10 | 48.4 Ų | 48.4 | 7% | 0.068 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.7 | -43.8 | 174.3 | -73.3 | 0 | 0 | 0 | 0 | 111.3 | M98 N102 L162 S163 I169 G170 | M98-C166 HydrophobicContact CB-CB 4.21Å; M98-C166 WeakPolarHBondContact CB-O 3.24Å; M98-C166 HydrophobicContact SD-CB 3.89Å; N102-C166 WeakPolarHBondContact ND2-CB 3.33Å; L162-C166 PolarHBondContact O-N 3.39Å; L162-C166 PolarHBondContact O-SG 2.92Å; S163-C166 PolarHBondContact O-N 3.36Å; C166-I169 PolarHBondContact O-N 2.89Å; C166-G170 PolarHBondContact O-N 2.84Å |
| 167 | N | 98.1 | Very high | 97.8 | Very high | 17 Ų | 17 | 46 Ų | 46 | 9% | 0.091 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 178.8 | -172.5 | 64.2 | 0 | 0 | 0 | 112.2 | Q26 S30 Y57 N102 S163 N164 L165 G170 F171 | Q26-N167 PolarHBondContact NE2-O 2.89Å; S30-N167 PolarHBondContact OG-ND2 2.65Å; Y57-N167 WeakPolarHBondContact CE1-OD1 3.37Å; Y57-N167 PolarHBondContact OH-OD1 3.4Å; N102-N167 PolarHBondContact ND2-N 3.49Å; S163-N167 WeakPolarHBondContact O-CB 3.36Å; S163-N167 PolarHBondContact O-N 3.26Å; N164-N167 PolarHBondContact O-N 3.5Å; L165-N167 VanDerWaalsContact C-N 3.28Å; L165-N167 PolarHBondContact O-N 3.22Å; N167-G170 PolarHBondContact O-N 3.08Å; N167-F171 WeakPolarHBondContact O-CB 3.25Å; N167-F171 PolarHBondContact O-N 3.47Å |
| 168 | L | 98.3 | Very high | 97.7 | Very high | 82 Ų | 82 | 45.3 Ų | 45.3 | 43% | 0.429 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.3 | -45.4 | 176.6 | -179.8 | 62.4 | 0 | 0 | 0 | 111.8 | N164 L165 G170 F171 I172 | N164-L168 WeakPolarHBondContact O-CB 3.44Å; N164-L168 PolarHBondContact O-N 3.37Å; L165-L168 PolarHBondContact O-N 2.93Å; L168-G170 VanDerWaalsContact C-N 3.33Å; L168-G170 PolarHBondContact O-N 3.4Å; L168-F171 WeakPolarHBondContact O-CB 3.25Å; L168-F171 PolarHBondContact O-N 3.23Å; L168-I172 HydrophobicContact CD1-CD1 4.47Å; L168-I172 HydrophobicContact CG-CD1 4.24Å; L168-I172 WeakPolarHBondContact O-CG1 3.18Å; L168-I172 PolarHBondContact O-N 2.89Å |
| 169 | I | 98.6 | Very high | 97.5 | Very high | 53 Ų | 53 | 42.9 Ų | 42.9 | 27% | 0.272 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.8 | -46.9 | 175.2 | -67.5 | 167.7 | 0 | 0 | 0 | 109.9 | L94 M98 L165 C166 F171 I172 C173 | L94-I169 HydrophobicContact CD2-CG2 3.87Å; L94-I169 HydrophobicContact CG-CG2 4.11Å; M98-I169 HydrophobicContact CG-CB 4.17Å; M98-I169 HydrophobicContact CG-CG2 3.85Å; M98-I169 HydrophobicContact SD-CB 4.41Å; M98-I169 HydrophobicContact SD-CD1 4.33Å; M98-I169 HydrophobicContact SD-CG2 4.31Å; L165-I169 HydrophobicContact CD1-CD1 4.05Å; L165-I169 HydrophobicContact CD1-CG1 4.3Å; L165-I169 HydrophobicContact CG-CD1 3.94Å; L165-I169 VanDerWaalsContact O-CG1 3.32Å; L165-I169 WeakPolarHBondContact O-CG1 3.38Å; L165-I169 PolarHBondContact O-N 3.45Å; C166-I169 PolarHBondContact O-N 2.89Å; I169-F171 VanDerWaalsContact C-N 3.3Å; I169-F171 PolarHBondContact O-N 3.48Å; I169-I172 PolarHBondContact O-N 3.48Å; I169-C173 PolarHBondContact O-N 2.85Å; I169-C173 PolarHBondContact O-SG 3.01Å |
| 170 | G | 98.3 | Very high | 97.2 | Very high | 5 Ų | 5 | 41.5 Ų | 41.5 | 5% | 0.052 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.6 | -37.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | C166 N167 L168 C173 T174 | C166-G170 PolarHBondContact O-N 2.84Å; N167-G170 PolarHBondContact O-N 3.08Å; L168-G170 VanDerWaalsContact C-N 3.33Å; L168-G170 PolarHBondContact O-N 3.4Å; G170-C173 PolarHBondContact O-N 3.38Å; G170-T174 WeakPolarHBondContact O-CB 3.38Å; G170-T174 PolarHBondContact O-N 2.81Å; G170-T174 PolarHBondContact O-OG1 3.39Å |
| 171 | F | 98.4 | Very high | 96.9 | Very high | 32 Ų | 32 | 40.2 Ų | 40.2 | 14% | 0.14 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.1 | -42.8 | 175 | 178.9 | -110.5 | 0 | 0 | 0 | 112.2 | W23 Q26 L27 F31 N167 L168 I169 T174 T175 | W23-F171 AromaticContact CD1-CE2 3.94Å; W23-F171 AromaticContact NE1-CE2 3.66Å; W23-F171 AromaticContact NE1-CZ 3.94Å; Q26-F171 HydrophobicContact CB-CD2 3.66Å; Q26-F171 HydrophobicContact CB-CE2 4.31Å; Q26-F171 VanDerWaalsContact NE2-N 3.2Å; L27-F171 HydrophobicContact CB-CE2 4.33Å; F31-F171 AromaticContact CE2-CD1 3.93Å; F31-F171 HydrophobicContact CE2-CD1 3.93Å; F31-F171 HydrophobicContact CE2-CD2 4.35Å; F31-F171 AromaticContact CE2-CE1 3.89Å; F31-F171 HydrophobicContact CE2-CE1 3.89Å; F31-F171 HydrophobicContact CE2-CE2 4.31Å; F31-F171 HydrophobicContact CE2-CG 4.16Å; F31-F171 HydrophobicContact CE2-CZ 4.08Å; F31-F171 HydrophobicContact CZ-CD1 4.03Å; F31-F171 HydrophobicContact CZ-CE1 4.13Å; N167-F171 WeakPolarHBondContact O-CB 3.25Å; N167-F171 PolarHBondContact O-N 3.47Å; L168-F171 WeakPolarHBondContact O-CB 3.25Å; L168-F171 PolarHBondContact O-N 3.23Å; I169-F171 VanDerWaalsContact C-N 3.3Å; I169-F171 PolarHBondContact O-N 3.48Å; F171-T174 PolarHBondContact O-N 3.27Å; F171-T175 VanDerWaalsContact O-CB 3.24Å; F171-T175 WeakPolarHBondContact O-CB 3.2Å; F171-T175 PolarHBondContact O-N 2.91Å; F171-T175 PolarHBondContact O-OG1 3.05Å |
| 172 | I | 98.4 | Very high | 96.6 | Very high | 91 Ų | 91 | 40.4 Ų | 40.4 | 47% | 0.467 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.2 | -44.8 | 174.7 | -66.6 | 164 | 0 | 0 | 0 | 110.1 | L168 I169 T175 T176 | L168-I172 HydrophobicContact CD1-CD1 4.47Å; L168-I172 HydrophobicContact CG-CD1 4.24Å; L168-I172 WeakPolarHBondContact O-CG1 3.18Å; L168-I172 PolarHBondContact O-N 2.89Å; I169-I172 PolarHBondContact O-N 3.48Å; I172-T175 PolarHBondContact O-N 3.09Å; I172-T176 WeakPolarHBondContact O-CB 3.48Å; I172-T176 PolarHBondContact O-N 3.37Å; I172-T176 PolarHBondContact O-OG1 3.43Å |
| 173 | C | 98.2 | Very high | 96.2 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.014 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.2 | -50.6 | 177.5 | -64.1 | 0 | 0 | 0 | 0 | 111.8 | L91 A95 I169 G170 T175 T176 N177 | L91-C173 HydrophobicContact CB-CB 4.21Å; L91-C173 HydrophobicContact CD2-CB 4.28Å; L91-C173 WeakPolarHBondContact O-CB 3.26Å; A95-C173 HydrophobicContact CB-CB 3.9Å; I169-C173 PolarHBondContact O-N 2.85Å; I169-C173 PolarHBondContact O-SG 3.01Å; G170-C173 PolarHBondContact O-N 3.38Å; C173-T175 VanDerWaalsContact C-N 3.34Å; C173-T175 PolarHBondContact O-N 3.09Å; C173-T176 PolarHBondContact O-N 3.42Å; C173-N177 WeakPolarHBondContact O-CB 3.46Å; C173-N177 PolarHBondContact O-N 3.22Å |
| 174 | T | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64 | -40.1 | -179.9 | -51.4 | 0 | 0 | 0 | 0 | 111.3 | A22 W23 Q26 G170 F171 N177 I178 | A22-T174 HydrophobicContact CB-CG2 4.17Å; W23-T174 HydrophobicContact CB-CG2 3.96Å; Q26-T174 PolarHBondContact OE1-OG1 3.27Å; Q26-T174 VanDerWaalsContact OE1-OG1 3.13Å; G170-T174 WeakPolarHBondContact O-CB 3.38Å; G170-T174 PolarHBondContact O-N 2.81Å; G170-T174 PolarHBondContact O-OG1 3.39Å; F171-T174 PolarHBondContact O-N 3.27Å; T174-N177 PolarHBondContact O-N 3.35Å; T174-I178 WeakPolarHBondContact O-CG2 3.41Å; T174-I178 PolarHBondContact O-N 3.23Å |
| 175 | T | 97.9 | Very high | 94.7 | Very high | 39 Ų | 39 | 48.1 Ų | 48.1 | 24% | 0.239 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.2 | -47 | 176.3 | -60.6 | 0 | 0 | 0 | 0 | 111.6 | W23 F171 I172 C173 N177 I178 V179 | W23-T175 VanDerWaalsContact CD1-OG1 3.32Å; W23-T175 PolarHBondContact NE1-OG1 3.47Å; F171-T175 VanDerWaalsContact O-CB 3.24Å; F171-T175 WeakPolarHBondContact O-CB 3.2Å; F171-T175 PolarHBondContact O-N 2.91Å; F171-T175 PolarHBondContact O-OG1 3.05Å; I172-T175 PolarHBondContact O-N 3.09Å; C173-T175 VanDerWaalsContact C-N 3.34Å; C173-T175 PolarHBondContact O-N 3.09Å; T175-N177 VanDerWaalsContact C-N 3.35Å; T175-N177 PolarHBondContact O-N 2.93Å; T175-I178 VanDerWaalsContact O-CG2 3.28Å; T175-I178 WeakPolarHBondContact O-CG2 3.32Å; T175-I178 PolarHBondContact O-N 2.98Å; T175-V179 WeakPolarHBondContact O-CB 3.44Å; T175-V179 VanDerWaalsContact O-CG2 3.23Å; T175-V179 WeakPolarHBondContact O-CG2 3.42Å; T175-V179 PolarHBondContact O-N 3.5Å |
| 176 | T | 96.8 | Very high | 93.4 | Very high | 44 Ų | 44 | 52.8 Ų | 52.8 | 27% | 0.27 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 178.1 | -60.6 | 0 | 0 | 0 | 0 | 110.6 | L91 I172 C173 V179 Y180 | L91-T176 HydrophobicContact CD1-CG2 3.45Å; L91-T176 VanDerWaalsContact CD1-CG2 3.45Å; I172-T176 WeakPolarHBondContact O-CB 3.48Å; I172-T176 PolarHBondContact O-N 3.37Å; I172-T176 PolarHBondContact O-OG1 3.43Å; C173-T176 PolarHBondContact O-N 3.42Å; T176-V179 PolarHBondContact O-N 3.43Å; T176-Y180 HydrophobicContact CG2-CD2 3.68Å; T176-Y180 HydrophobicContact CG2-CE2 3.65Å; T176-Y180 VanDerWaalsContact O-CD2 3.32Å; T176-Y180 WeakPolarHBondContact O-CD2 3.39Å; T176-Y180 PolarHBondContact O-N 3.44Å |
| 177 | N | 95.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 179.1 | -81.8 | -20.4 | 0 | 0 | 0 | 112.9 | L19 Q88 Y92 C173 T174 T175 V179 Y180 T181 | L19-N177 HydrophobicContact CD2-CB 4.49Å; Q88-N177 WeakPolarHBondContact CA-OD1 3.39Å; Q88-N177 PolarHBondContact O-OD1 3.37Å; Y92-N177 WeakPolarHBondContact CD1-ND2 3.43Å; Y92-N177 HydrophobicContact CE1-CB 3.9Å; Y92-N177 WeakPolarHBondContact CE1-ND2 3.26Å; Y92-N177 HydrophobicContact CE2-CB 4.41Å; Y92-N177 VanDerWaalsContact CG-ND2 3.33Å; Y92-N177 PolarHBondContact N-ND2 3.25Å; C173-N177 WeakPolarHBondContact O-CB 3.46Å; C173-N177 PolarHBondContact O-N 3.22Å; T174-N177 PolarHBondContact O-N 3.35Å; T175-N177 VanDerWaalsContact C-N 3.35Å; T175-N177 PolarHBondContact O-N 2.93Å; N177-V179 VanDerWaalsContact C-N 3.32Å; N177-V179 PolarHBondContact O-N 2.97Å; N177-Y180 PolarHBondContact O-N 3.3Å; N177-T181 PolarHBondContact O-N 2.93Å; N177-T181 PolarHBondContact O-OG1 2.96Å; N177-T181 VanDerWaalsContact O-OG1 3.11Å |
| 178 | I | 94.9 | Very high | 89.7 | Confident | 27 Ų | 27 | 67.7 Ų | 67.7 | 14% | 0.138 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.9 | -33.8 | 177.7 | -161 | 171.6 | 0 | 0 | 0 | 111.9 | L19 W23 T174 T175 T181 A182 | L19-I178 HydrophobicContact CB-CD1 4.33Å; L19-I178 HydrophobicContact CB-CG1 4.37Å; W23-I178 HydrophobicContact CB-CD1 4.26Å; W23-I178 HydrophobicContact CG-CG2 4.35Å; T174-I178 WeakPolarHBondContact O-CG2 3.41Å; T174-I178 PolarHBondContact O-N 3.23Å; T175-I178 VanDerWaalsContact O-CG2 3.28Å; T175-I178 WeakPolarHBondContact O-CG2 3.32Å; T175-I178 PolarHBondContact O-N 2.98Å; I178-T181 PolarHBondContact O-N 3.23Å; I178-A182 VanDerWaalsContact O-CB 3.32Å; I178-A182 WeakPolarHBondContact O-CB 3.43Å; I178-A182 PolarHBondContact O-N 3.44Å |
| 179 | V | 94.4 | Very high | 89.3 | Confident | 74 Ų | 74 | 67 Ų | 67 | 45% | 0.448 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.7 | -47.3 | 173.3 | 167.8 | 0 | 0 | 0 | 0 | 111 | T175 T176 N177 T181 A182 L183 | T175-V179 WeakPolarHBondContact O-CB 3.44Å; T175-V179 VanDerWaalsContact O-CG2 3.23Å; T175-V179 WeakPolarHBondContact O-CG2 3.42Å; T175-V179 PolarHBondContact O-N 3.5Å; T176-V179 PolarHBondContact O-N 3.43Å; N177-V179 VanDerWaalsContact C-N 3.32Å; N177-V179 PolarHBondContact O-N 2.97Å; V179-T181 VanDerWaalsContact C-N 3.34Å; V179-T181 PolarHBondContact O-N 3.04Å; V179-A182 PolarHBondContact O-N 3.47Å; V179-L183 HydrophobicContact CG1-CD1 3.91Å; V179-L183 HydrophobicContact CG1-CG 4.33Å; V179-L183 WeakPolarHBondContact O-CG 3.37Å; V179-L183 PolarHBondContact O-N 2.92Å |
| 180 | Y | 91.9 | Very high | 88.8 | Confident | 52 Ų | 52 | 67.7 Ų | 67.7 | 20% | 0.204 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 175.2 | -91.1 | -77.6 | 0 | 0 | 0 | 111.9 | H84 L87 Q88 T176 N177 A182 L183 N184 | H84-Y180 HydrophobicContact CB-CE1 4.23Å; H84-Y180 AromaticContact ND1-CE1 3.36Å; H84-Y180 WeakPolarHBondContact ND1-CE1 3.35Å; H84-Y180 AromaticContact ND1-CZ 3.64Å; H84-Y180 PolarHBondContact ND1-OH 2.79Å; H84-Y180 VanDerWaalsContact ND1-OH 3.09Å; L87-Y180 HydrophobicContact CD2-CE2 4.34Å; Q88-Y180 HydrophobicContact CG-CD2 4.16Å; Q88-Y180 HydrophobicContact CG-CG 4.02Å; T176-Y180 HydrophobicContact CG2-CD2 3.68Å; T176-Y180 HydrophobicContact CG2-CE2 3.65Å; T176-Y180 VanDerWaalsContact O-CD2 3.32Å; T176-Y180 WeakPolarHBondContact O-CD2 3.39Å; T176-Y180 PolarHBondContact O-N 3.44Å; N177-Y180 PolarHBondContact O-N 3.3Å; Y180-A182 VanDerWaalsContact C-N 3.31Å; Y180-A182 PolarHBondContact O-N 2.95Å; Y180-L183 PolarHBondContact O-N 2.97Å; Y180-N184 PolarHBondContact O-N 3.41Å; Y180-N184 PolarHBondContact O-ND2 3.49Å |
| 181 | T | 90.4 | Very high | 88.3 | Confident | 30 Ų | 30 | 71.2 Ų | 71.2 | 18% | 0.184 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -58.8 | -44.6 | 175.4 | -62.7 | 0 | 0 | 0 | 0 | 111 | L16 L19 N177 I178 V179 N184 L185 | L16-T181 HydrophobicContact CD1-CG2 4.24Å; L19-T181 HydrophobicContact CD1-CG2 4.37Å; N177-T181 PolarHBondContact O-N 2.93Å; N177-T181 PolarHBondContact O-OG1 2.96Å; N177-T181 VanDerWaalsContact O-OG1 3.11Å; I178-T181 PolarHBondContact O-N 3.23Å; V179-T181 VanDerWaalsContact C-N 3.34Å; V179-T181 PolarHBondContact O-N 3.04Å; T181-N184 PolarHBondContact O-N 3.28Å; T181-L185 PolarHBondContact O-N 2.77Å |
| 182 | A | 90.9 | Very high | 87.7 | Confident | 39 Ų | 39 | 73.5 Ų | 73.5 | 32% | 0.322 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65 | -41.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I178 V179 Y180 N184 L185 | I178-A182 VanDerWaalsContact O-CB 3.32Å; I178-A182 WeakPolarHBondContact O-CB 3.43Å; I178-A182 PolarHBondContact O-N 3.44Å; V179-A182 PolarHBondContact O-N 3.47Å; Y180-A182 VanDerWaalsContact C-N 3.31Å; Y180-A182 PolarHBondContact O-N 2.95Å; A182-N184 PolarHBondContact O-N 3.04Å; A182-L185 WeakPolarHBondContact O-CB 3.24Å; A182-L185 PolarHBondContact O-N 2.77Å |
| 183 | L | 89.9 | Confident | 87 | Confident | 135 Ų | 135 | 72.4 Ų | 72.4 | 71% | 0.707 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -67.9 | -20.3 | 179.2 | -69.6 | 175 | 0 | 0 | 0 | 113.4 | V179 Y180 | V179-L183 HydrophobicContact CG1-CD1 3.91Å; V179-L183 HydrophobicContact CG1-CG 4.33Å; V179-L183 WeakPolarHBondContact O-CG 3.37Å; V179-L183 PolarHBondContact O-N 2.92Å; Y180-L183 PolarHBondContact O-N 2.97Å |
| 184 | N | 84.3 | Confident | 86.2 | Confident | 105 Ų | 105 | 77.1 Ų | 77.1 | 56% | 0.561 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | 8.4 | 176.7 | -69.1 | -76 | 0 | 0 | 0 | 112.8 | Y180 T181 A182 H186 | Y180-N184 PolarHBondContact O-N 3.41Å; Y180-N184 PolarHBondContact O-ND2 3.49Å; T181-N184 PolarHBondContact O-N 3.28Å; A182-N184 PolarHBondContact O-N 3.04Å; N184-H186 PolarHBondContact O-N 3.4Å |
| 185 | L | 80.3 | Confident | 85.4 | Confident | 80 Ų | 80 | 82.6 Ų | 82.6 | 42% | 0.419 | 45% | 0.447 | S | S | . | . | trans | -71.9 | 114.4 | 167.5 | -69.9 | 171.5 | 0 | 0 | 0 | 108.7 | T181 A182 T187 | T181-L185 PolarHBondContact O-N 2.77Å; A182-L185 WeakPolarHBondContact O-CB 3.24Å; A182-L185 PolarHBondContact O-N 2.77Å; L185-T187 PolarHBondContact O-N 3.46Å | ||
| 186 | H | 70.9 | Confident | 84.5 | Confident | 192 Ų | 192 | 85.9 Ų | 85.9 | 89% | 0.889 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -68 | -14.5 | -179.8 | -73 | -72 | 0 | 0 | 0 | 114.4 | N184 | N184-H186 PolarHBondContact O-N 3.4Š|
| 187 | T | 65.9 | Low | 83.5 | Confident | 132 Ų | 132 | 89.4 Ų | 89.4 | 81% | 0.81 | 48% | 0.479 | S | S | * | . | trans | -132.4 | 102.8 | 178.5 | 31.7 | 0 | 0 | 0 | 0 | 109.6 | L185 | L185-T187 PolarHBondContact O-N 3.46Š| ||
| 188 | I | 51.8 | Low | 82.3 | Confident | 207 Ų | 207 | 97.5 Ų | 97.5 | 100% | 1.062 | 52% | 0.522 | S | S | * | . | trans | -114.3 | 0 | 151 | -62.3 | 178.1 | 0 | 0 | 0 | 106 |
Retrieved 188 of 188 residues in 827.9 ms
(Link to these results)