| 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 | 57.8 | Low | 72.3 | Confident | 168 Ų | 168 | 76.5 Ų | 76.5 | 83% | 0.828 | 43% | 0.433 | S | S | * | . | 0 | 125.1 | 0 | -80.7 | 177.5 | -89.1 | 0 | 0 | 107.5 | A170 | M1-A170 WeakPolarHBondContact CE-O 3.09Š| |||
| 2 | V | 61.8 | Low | 73.1 | Confident | 71 Ų | 71 | 72.3 Ų | 72.3 | 43% | 0.43 | 42% | 0.418 | S | S | . | . | trans | -71.3 | 133.9 | 174 | -176.7 | 0 | 0 | 0 | 0 | 107.8 | T6 V7 E226 | V2-T6 HydrophobicContact CG1-CG2 3.78Å; V2-V7 HydrophobicContact CG1-CG2 3.99Å; V2-E226 WeakPolarHBondContact CB-OE1 3.28Å; V2-E226 VanDerWaalsContact CG1-OE1 3.29Å; V2-E226 WeakPolarHBondContact CG1-OE1 3.3Å; V2-E226 WeakPolarHBondContact CG2-OE1 3.48Å | ||
| 3 | S | 70.6 | Confident | 74.3 | Confident | 57 Ų | 57 | 73.5 Ų | 73.5 | 40% | 0.399 | 43% | 0.431 | S | S | . | . | trans | -67.8 | 141.7 | 177.7 | 172.7 | 0 | 0 | 0 | 0 | 110.1 | V5 T6 V7 | S3-V5 PolarHBondContact O-N 3.11Å; S3-V5 PolarHBondContact OG-N 3.14Å; S3-T6 WeakPolarHBondContact O-CA 3.35Å; S3-T6 WeakPolarHBondContact O-CB 3.5Å; S3-T6 PolarHBondContact O-N 3.19Å; S3-V7 PolarHBondContact O-N 3.37Å | ||
| 4 | P | 68.9 | Low | 75.4 | Confident | 57 Ų | 57 | 72.6 Ų | 72.6 | 37% | 0.37 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -50.7 | -33.9 | 172.7 | -27.5 | 34.7 | 0 | 0 | 0 | 113.1 | T6 V7 V8 W174 | P4-T6 VanDerWaalsContact C-N 3.3Å; P4-T6 PolarHBondContact O-N 2.91Å; P4-V7 PolarHBondContact O-N 3.37Å; P4-V8 WeakPolarHBondContact O-CG2 3.32Å; P4-V8 PolarHBondContact O-N 3.49Å; P4-W174 HydrophobicContact CB-CE3 3.95Å; P4-W174 HydrophobicContact CB-CZ3 3.95Å; P4-W174 HydrophobicContact CG-CE3 4.02Å; P4-W174 HydrophobicContact CG-CZ3 4.31Å |
| 5 | V | 71.9 | Confident | 76.6 | Confident | 86 Ų | 86 | 68.3 Ų | 68.3 | 52% | 0.521 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.8 | -37.5 | 176.9 | 179.7 | 0 | 0 | 0 | 0 | 111.7 | S3 K9 | S3-V5 PolarHBondContact O-N 3.11Å; S3-V5 PolarHBondContact OG-N 3.14Å; V5-K9 HydrophobicContact CG1-CD 4.4Å; V5-K9 WeakPolarHBondContact O-CG 3.39Å; V5-K9 PolarHBondContact O-N 3.34Å; V5-K9 VanDerWaalsContact O-N 3.08Å |
| 6 | T | 74.2 | Confident | 77.7 | Confident | 78 Ų | 78 | 68 Ų | 68 | 48% | 0.479 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.7 | -41.6 | 177.9 | -54.7 | 0 | 0 | 0 | 0 | 110.7 | V2 S3 P4 K9 S10 | V2-T6 HydrophobicContact CG1-CG2 3.78Å; S3-T6 WeakPolarHBondContact O-CA 3.35Å; S3-T6 WeakPolarHBondContact O-CB 3.5Å; S3-T6 PolarHBondContact O-N 3.19Å; P4-T6 VanDerWaalsContact C-N 3.3Å; P4-T6 PolarHBondContact O-N 2.91Å; T6-K9 PolarHBondContact O-N 2.93Å; T6-S10 PolarHBondContact O-N 2.99Å; T6-S10 PolarHBondContact O-OG 2.97Å |
| 7 | V | 73.8 | Confident | 78.9 | Confident | 7 Ų | 7 | 67.8 Ų | 67.8 | 4% | 0.042 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 176.6 | -173.4 | 0 | 0 | 0 | 0 | 111.2 | V2 S3 P4 K9 S10 E11 W174 E226 | V2-V7 HydrophobicContact CG1-CG2 3.99Å; S3-V7 PolarHBondContact O-N 3.37Å; P4-V7 PolarHBondContact O-N 3.37Å; V7-K9 VanDerWaalsContact C-N 3.28Å; V7-K9 PolarHBondContact O-N 3.07Å; V7-S10 PolarHBondContact O-N 3.02Å; V7-S10 PolarHBondContact O-OG 3.27Å; V7-E11 HydrophobicContact CG1-CG 4.09Å; V7-E11 WeakPolarHBondContact O-CB 3.5Å; V7-E11 PolarHBondContact O-N 3.3Å; V7-W174 HydrophobicContact CG2-CG 4.29Å; V7-E226 WeakPolarHBondContact CG2-OE1 3.29Å; V7-E226 WeakPolarHBondContact CG2-OE2 3.3Å |
| 8 | V | 75.6 | Confident | 79.9 | Confident | 91 Ų | 91 | 64.4 Ų | 64.4 | 55% | 0.552 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60.5 | -40.2 | 177.3 | 170.7 | 0 | 0 | 0 | 0 | 111 | P4 G12 | P4-V8 WeakPolarHBondContact O-CG2 3.32Å; P4-V8 PolarHBondContact O-N 3.49Å; V8-G12 WeakPolarHBondContact O-CA 3.46Å; V8-G12 PolarHBondContact O-N 3.09Å |
| 9 | K | 75.4 | Confident | 80.8 | Confident | 160 Ų | 160 | 66.3 Ų | 66.3 | 70% | 0.696 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -68.2 | -36.8 | 177.6 | -75.6 | 179 | 178.2 | -175.8 | 0 | 113 | V5 T6 V7 P13 | V5-K9 HydrophobicContact CG1-CD 4.4Å; V5-K9 WeakPolarHBondContact O-CG 3.39Å; V5-K9 PolarHBondContact O-N 3.34Å; V5-K9 VanDerWaalsContact O-N 3.08Å; T6-K9 PolarHBondContact O-N 2.93Å; V7-K9 VanDerWaalsContact C-N 3.28Å; V7-K9 PolarHBondContact O-N 3.07Å; K9-P13 WeakPolarHBondContact O-CD 3.24Å |
| 10 | S | 80.3 | Confident | 81.6 | Confident | 58 Ų | 58 | 70.1 Ų | 70.1 | 41% | 0.406 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -82.3 | -40.2 | -177.8 | 70.9 | 0 | 0 | 0 | 0 | 113.2 | T6 V7 | T6-S10 PolarHBondContact O-N 2.99Å; T6-S10 PolarHBondContact O-OG 2.97Å; V7-S10 PolarHBondContact O-N 3.02Å; V7-S10 PolarHBondContact O-OG 3.27Å |
| 11 | E | 84.8 | Confident | 82.4 | Confident | 9 Ų | 9 | 67 Ų | 67 | 4% | 0.042 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -97.8 | -25.6 | -173.5 | -58 | -43.1 | 127.1 | 0 | 0 | 113.4 | V7 K14 L15 F53 H57 L222 V225 | V7-E11 HydrophobicContact CG1-CG 4.09Å; V7-E11 WeakPolarHBondContact O-CB 3.5Å; V7-E11 PolarHBondContact O-N 3.3Å; E11-K14 PolarHBondContact O-N 3.29Å; E11-K14 IonicContact OE1-NZ 3.15Å; E11-K14 PolarHBondContact OE1-NZ 3.08Å; E11-K14 VanDerWaalsContact OE1-NZ 3.15Å; E11-K14 IonicContact OE2-NZ 2.77Å; E11-K14 PolarHBondContact OE2-NZ 3.2Å; E11-L15 PolarHBondContact O-N 2.75Å; E11-F53 HydrophobicContact CB-CE2 4.23Å; E11-F53 HydrophobicContact CB-CZ 4.41Å; E11-F53 WeakPolarHBondContact OE2-CE2 3.41Å; E11-H57 IonicContact OE1-NE2 2.99Å; E11-H57 IonicContact OE2-CE1 3.22Å; E11-H57 PolarHBondContact OE2-CE1 2.82Å; E11-H57 IonicContact OE2-NE2 3.5Å; E11-H57 PolarHBondContact OE2-NE2 3.29Å; E11-L222 HydrophobicContact CB-CD2 4.07Å; E11-L222 HydrophobicContact CG-CD2 4.4Å; E11-V225 HydrophobicContact CG-CG1 4.03Å |
| 12 | G | 82.8 | Confident | 84.2 | Confident | 25 Ų | 25 | 60.1 Ų | 60.1 | 26% | 0.258 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -51.3 | -49.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | V8 K14 L15 V16 | V8-G12 WeakPolarHBondContact O-CA 3.46Å; V8-G12 PolarHBondContact O-N 3.09Å; G12-K14 VanDerWaalsContact C-N 3.25Å; G12-K14 PolarHBondContact O-N 3.19Å; G12-L15 PolarHBondContact O-N 3.06Å; G12-L15 VanDerWaalsContact O-N 3.08Å; G12-V16 PolarHBondContact O-N 2.94Å |
| 13 | P | 88.4 | Confident | 85.9 | Confident | 89 Ų | 89 | 60.4 Ų | 60.4 | 58% | 0.578 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -58.7 | -34.8 | 178.4 | -26.4 | 35.8 | 0 | 0 | 0 | 113.6 | K9 L15 V16 | K9-P13 WeakPolarHBondContact O-CD 3.24Å; P13-L15 VanDerWaalsContact C-N 3.32Å; P13-V16 WeakPolarHBondContact O-CG2 3.21Å; P13-V16 PolarHBondContact O-N 3.15Å |
| 14 | K | 89.6 | Confident | 87.1 | Confident | 60 Ų | 60 | 60.7 Ų | 60.7 | 26% | 0.261 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -76.1 | -20.6 | 179.7 | -55 | 179 | -160.9 | 144.6 | 0 | 112.8 | E11 G12 P17 F53 A56 H57 | E11-K14 PolarHBondContact O-N 3.29Å; E11-K14 IonicContact OE1-NZ 3.15Å; E11-K14 PolarHBondContact OE1-NZ 3.08Å; E11-K14 VanDerWaalsContact OE1-NZ 3.15Å; E11-K14 IonicContact OE2-NZ 2.77Å; E11-K14 PolarHBondContact OE2-NZ 3.2Å; G12-K14 VanDerWaalsContact C-N 3.25Å; G12-K14 PolarHBondContact O-N 3.19Å; K14-P17 WeakPolarHBondContact O-CD 3.32Å; K14-F53 HydrophobicContact CB-CD2 3.57Å; K14-F53 HydrophobicContact CB-CE2 3.86Å; K14-F53 HydrophobicContact CD-CD2 4.42Å; K14-F53 HydrophobicContact CD-CE2 4.27Å; K14-A56 HydrophobicContact CD-CB 4.49Å; K14-H57 PolarHBondContact NZ-CE1 2.93Å; K14-H57 PolarHBondContact NZ-NE2 3.46Å |
| 15 | L | 93.2 | Very high | 88.4 | Confident | 8 Ų | 8 | 58.6 Ų | 58.6 | 4% | 0.042 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -87.4 | -7.2 | 175.8 | -71 | 176.3 | 0 | 0 | 0 | 113.7 | E11 G12 P13 P17 F18 F19 L50 F53 M218 L222 | E11-L15 PolarHBondContact O-N 2.75Å; G12-L15 PolarHBondContact O-N 3.06Å; G12-L15 VanDerWaalsContact O-N 3.08Å; P13-L15 VanDerWaalsContact C-N 3.32Å; L15-P17 VanDerWaalsContact C-CD 3.46Å; L15-P17 VanDerWaalsContact C-N 3.34Å; L15-F18 WeakPolarHBondContact O-CB 3.46Å; L15-F18 PolarHBondContact O-N 3.49Å; L15-F19 HydrophobicContact CB-CD2 4.13Å; L15-F19 HydrophobicContact CB-CE2 3.78Å; L15-F19 HydrophobicContact CD1-CE2 4.48Å; L15-F19 VanDerWaalsContact O-CD2 3.25Å; L15-F19 WeakPolarHBondContact O-CD2 3.46Å; L15-F19 PolarHBondContact O-N 3.27Å; L15-F19 VanDerWaalsContact O-N 3.1Å; L15-L50 HydrophobicContact CD2-CD2 3.86Å; L15-F53 HydrophobicContact CD2-CD1 4.28Å; L15-F53 HydrophobicContact CD2-CD2 3.77Å; L15-F53 HydrophobicContact CD2-CE1 4.48Å; L15-F53 HydrophobicContact CD2-CE2 4.01Å; L15-F53 HydrophobicContact CD2-CG 3.93Å; L15-F53 HydrophobicContact CD2-CZ 4.37Å; L15-F53 HydrophobicContact CG-CD2 4.1Å; L15-F53 HydrophobicContact CG-CE2 4.03Å; L15-M218 HydrophobicContact CD1-CG 4.26Å; L15-M218 HydrophobicContact CD1-SD 4.26Å; L15-M218 HydrophobicContact CD2-CG 4.33Å; L15-L222 HydrophobicContact CD1-CD1 4.04Å; L15-L222 HydrophobicContact CD1-CD2 3.97Å; L15-L222 HydrophobicContact CD1-CG 4.19Å |
| 16 | V | 95 | Very high | 89.6 | Confident | 64 Ų | 64 | 57.6 Ų | 57.6 | 39% | 0.388 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -52.7 | -43.6 | 177.7 | 173 | 0 | 0 | 0 | 0 | 113 | G12 P13 F18 F19 K20 | G12-V16 PolarHBondContact O-N 2.94Å; P13-V16 WeakPolarHBondContact O-CG2 3.21Å; P13-V16 PolarHBondContact O-N 3.15Å; V16-F18 VanDerWaalsContact C-N 3.31Å; V16-F18 PolarHBondContact O-N 3.12Å; V16-F19 PolarHBondContact O-N 3.44Å; V16-K20 HydrophobicContact CG1-CD 4.15Å; V16-K20 HydrophobicContact CG1-CG 4.44Å; V16-K20 WeakPolarHBondContact O-CG 3.49Å; V16-K20 PolarHBondContact O-N 3.02Å |
| 17 | P | 97.1 | Very high | 90.6 | Very high | 65 Ų | 65 | 59.7 Ų | 59.7 | 42% | 0.422 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.6 | -40.2 | 175.8 | -24.1 | 35.4 | 0 | 0 | 0 | 113 | K14 L15 K20 A21 C49 | K14-P17 WeakPolarHBondContact O-CD 3.32Å; L15-P17 VanDerWaalsContact C-CD 3.46Å; L15-P17 VanDerWaalsContact C-N 3.34Å; P17-K20 PolarHBondContact O-N 2.9Å; P17-A21 WeakPolarHBondContact O-CB 3.34Å; P17-A21 PolarHBondContact O-N 2.96Å; P17-C49 HydrophobicContact CB-CB 4.27Å |
| 18 | F | 97.6 | Very high | 91.6 | Very high | 6 Ų | 6 | 63.5 Ų | 63.5 | 3% | 0.026 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61 | -51.6 | 177.5 | 165.7 | -98.8 | 0 | 0 | 0 | 111.1 | L15 V16 K20 A21 T22 P46 C49 L50 Y214 M218 | L15-F18 WeakPolarHBondContact O-CB 3.46Å; L15-F18 PolarHBondContact O-N 3.49Å; V16-F18 VanDerWaalsContact C-N 3.31Å; V16-F18 PolarHBondContact O-N 3.12Å; F18-K20 VanDerWaalsContact C-N 3.31Å; F18-K20 PolarHBondContact O-N 3.32Å; F18-A21 PolarHBondContact O-N 3.36Å; F18-A21 VanDerWaalsContact O-N 3.15Å; F18-T22 PolarHBondContact O-N 3.31Å; F18-T22 PolarHBondContact O-OG1 2.88Å; F18-T22 VanDerWaalsContact O-OG1 3.13Å; F18-P46 HydrophobicContact CD2-CB 3.84Å; F18-P46 WeakPolarHBondContact CD2-O 3.23Å; F18-P46 HydrophobicContact CE2-CB 3.75Å; F18-C49 HydrophobicContact CB-CB 3.92Å; F18-L50 HydrophobicContact CB-CD2 4.15Å; F18-L50 HydrophobicContact CD1-CD2 4.42Å; F18-L50 HydrophobicContact CD2-CD1 3.96Å; F18-L50 HydrophobicContact CD2-CD2 3.65Å; F18-L50 HydrophobicContact CD2-CG 3.54Å; F18-L50 HydrophobicContact CE2-CD1 3.75Å; F18-L50 HydrophobicContact CE2-CD2 4.12Å; F18-L50 HydrophobicContact CE2-CG 3.9Å; F18-L50 HydrophobicContact CG-CD2 3.81Å; F18-L50 HydrophobicContact CG-CG 4.21Å; F18-Y214 WeakPolarHBondContact CZ-O 3.41Å; F18-M218 HydrophobicContact CD1-CB 4.46Å; F18-M218 HydrophobicContact CD1-CG 4.24Å; F18-M218 HydrophobicContact CD1-SD 4.01Å; F18-M218 HydrophobicContact CE1-CB 3.75Å; F18-M218 HydrophobicContact CE1-CG 3.88Å; F18-M218 HydrophobicContact CE1-SD 3.59Å; F18-M218 VanDerWaalsContact CE1-SD 3.59Å; F18-M218 HydrophobicContact CE2-CB 4.47Å; F18-M218 HydrophobicContact CZ-CB 3.75Å; F18-M218 HydrophobicContact CZ-CG 4.38Å; F18-M218 HydrophobicContact CZ-SD 4.49Å |
| 19 | F | 97.3 | Very high | 92.4 | Very high | 100 Ų | 100 | 64.3 Ų | 64.3 | 44% | 0.439 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.7 | -41 | 178.8 | -70.4 | -65.6 | 0 | 0 | 0 | 112.2 | L15 V16 T22 C23 M218 | L15-F19 HydrophobicContact CB-CD2 4.13Å; L15-F19 HydrophobicContact CB-CE2 3.78Å; L15-F19 HydrophobicContact CD1-CE2 4.48Å; L15-F19 VanDerWaalsContact O-CD2 3.25Å; L15-F19 WeakPolarHBondContact O-CD2 3.46Å; L15-F19 PolarHBondContact O-N 3.27Å; L15-F19 VanDerWaalsContact O-N 3.1Å; V16-F19 PolarHBondContact O-N 3.44Å; F19-T22 PolarHBondContact O-N 3.42Å; F19-C23 PolarHBondContact O-N 3.41Å; F19-C23 PolarHBondContact O-SG 3.43Å; F19-M218 HydrophobicContact CE1-SD 3.9Å; F19-M218 HydrophobicContact CE2-SD 4.38Å; F19-M218 HydrophobicContact CZ-SD 3.53Å; F19-M218 VanDerWaalsContact CZ-SD 3.53Å |
| 20 | K | 96.5 | Very high | 93.1 | Very high | 143 Ų | 143 | 59 Ų | 59 | 62% | 0.622 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -60.5 | -46.6 | 174.6 | -74 | -179.1 | 178.1 | -175.4 | 0 | 111.7 | V16 P17 F18 T22 C23 V24 | V16-K20 HydrophobicContact CG1-CD 4.15Å; V16-K20 HydrophobicContact CG1-CG 4.44Å; V16-K20 WeakPolarHBondContact O-CG 3.49Å; V16-K20 PolarHBondContact O-N 3.02Å; P17-K20 PolarHBondContact O-N 2.9Å; F18-K20 VanDerWaalsContact C-N 3.31Å; F18-K20 PolarHBondContact O-N 3.32Å; K20-T22 PolarHBondContact O-N 3.48Å; K20-C23 PolarHBondContact O-N 2.83Å; K20-V24 WeakPolarHBondContact O-CG2 3.4Å; K20-V24 PolarHBondContact O-N 3.33Å |
| 21 | A | 97.3 | Very high | 93.3 | Very high | 5 Ų | 5 | 59.8 Ų | 59.8 | 4% | 0.041 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.1 | -42 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P17 F18 V24 Y25 L45 P46 | P17-A21 WeakPolarHBondContact O-CB 3.34Å; P17-A21 PolarHBondContact O-N 2.96Å; F18-A21 PolarHBondContact O-N 3.36Å; F18-A21 VanDerWaalsContact O-N 3.15Å; A21-V24 PolarHBondContact O-N 2.87Å; A21-Y25 PolarHBondContact O-N 2.98Å; A21-L45 HydrophobicContact CB-CB 4.32Å; A21-L45 HydrophobicContact CB-CD2 3.88Å; A21-L45 HydrophobicContact CB-CG 3.74Å; A21-P46 HydrophobicContact CB-CB 4.34Å; A21-P46 HydrophobicContact CB-CG 3.94Å |
| 22 | T | 96.9 | Very high | 93 | Very high | 23 Ų | 23 | 63.1 Ų | 63.1 | 14% | 0.141 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.5 | -45.9 | 174.7 | -60.2 | 0 | 0 | 0 | 0 | 111.1 | F18 F19 K20 V24 Y25 F26 Y214 | F18-T22 PolarHBondContact O-N 3.31Å; F18-T22 PolarHBondContact O-OG1 2.88Å; F18-T22 VanDerWaalsContact O-OG1 3.13Å; F19-T22 PolarHBondContact O-N 3.42Å; K20-T22 PolarHBondContact O-N 3.48Å; T22-V24 VanDerWaalsContact C-N 3.34Å; T22-V24 PolarHBondContact O-N 3.35Å; T22-Y25 WeakPolarHBondContact O-CB 3.36Å; T22-Y25 PolarHBondContact O-N 3.32Å; T22-F26 HydrophobicContact CG2-CD2 3.82Å; T22-F26 HydrophobicContact CG2-CE2 3.83Å; T22-F26 VanDerWaalsContact O-CD2 3.31Å; T22-F26 WeakPolarHBondContact O-CD2 3.44Å; T22-F26 PolarHBondContact O-N 2.94Å; T22-F26 VanDerWaalsContact O-N 3.08Å; T22-Y214 HydrophobicContact CG2-CD2 3.87Å |
| 23 | C | 96.8 | Very high | 92.7 | Very high | 78 Ų | 78 | 67.2 Ų | 67.2 | 53% | 0.527 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.8 | -44.8 | 174.2 | -70.1 | 0 | 0 | 0 | 0 | 111.7 | F19 K20 Y25 F26 V27 | F19-C23 PolarHBondContact O-N 3.41Å; F19-C23 PolarHBondContact O-SG 3.43Å; K20-C23 PolarHBondContact O-N 2.83Å; C23-Y25 VanDerWaalsContact C-N 3.33Å; C23-Y25 PolarHBondContact O-N 2.93Å; C23-F26 PolarHBondContact O-N 3.25Å; C23-V27 WeakPolarHBondContact O-CB 3.34Å; C23-V27 VanDerWaalsContact O-CG2 3.22Å; C23-V27 WeakPolarHBondContact O-CG2 3.43Å; C23-V27 PolarHBondContact O-N 2.84Å |
| 24 | V | 96.7 | Very high | 92.6 | Very high | 63 Ų | 63 | 66.1 Ų | 66.1 | 38% | 0.382 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.3 | -44 | 176.4 | 169.1 | 0 | 0 | 0 | 0 | 111.3 | K20 A21 T22 F26 V27 L28 | K20-V24 WeakPolarHBondContact O-CG2 3.4Å; K20-V24 PolarHBondContact O-N 3.33Å; A21-V24 PolarHBondContact O-N 2.87Å; T22-V24 VanDerWaalsContact C-N 3.34Å; T22-V24 PolarHBondContact O-N 3.35Å; V24-F26 PolarHBondContact O-N 2.9Å; V24-V27 PolarHBondContact O-N 3.43Å; V24-L28 HydrophobicContact CG1-CD1 3.59Å; V24-L28 HydrophobicContact CG1-CG 4.15Å; V24-L28 WeakPolarHBondContact O-CB 3.23Å; V24-L28 WeakPolarHBondContact O-CG 3.46Å; V24-L28 PolarHBondContact O-N 3.09Å |
| 25 | Y | 96.4 | Very high | 92.6 | Very high | 12 Ų | 12 | 65 Ų | 65 | 5% | 0.047 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -56.6 | -49.9 | 175.6 | 177.3 | -88.4 | 0 | 0 | 0 | 112 | A21 T22 C23 W29 I42 K43 R206 M210 Y214 | A21-Y25 PolarHBondContact O-N 2.98Å; T22-Y25 WeakPolarHBondContact O-CB 3.36Å; T22-Y25 PolarHBondContact O-N 3.32Å; C23-Y25 VanDerWaalsContact C-N 3.33Å; C23-Y25 PolarHBondContact O-N 2.93Å; Y25-W29 HydrophobicContact CE1-CZ3 4.48Å; Y25-W29 PolarHBondContact O-N 2.96Å; Y25-W29 VanDerWaalsContact O-N 3.13Å; Y25-I42 HydrophobicContact CD2-CG2 3.97Å; Y25-K43 HydrophobicContact CD2-CB 4.25Å; Y25-K43 HydrophobicContact CD2-CG 4.48Å; Y25-K43 HydrophobicContact CE2-CB 3.84Å; Y25-K43 HydrophobicContact CE2-CG 3.82Å; Y25-R206 PolarHBondContact OH-NE 2.86Å; Y25-R206 PolarHBondContact OH-NH2 2.87Å; Y25-M210 HydrophobicContact CE1-CB 3.82Å; Y25-M210 HydrophobicContact CE1-CE 4.12Å; Y25-M210 HydrophobicContact CE1-CG 3.64Å; Y25-M210 HydrophobicContact CE2-CE 4.14Å; Y25-M210 WeakPolarHBondContact OH-CG 3.4Å; Y25-Y214 AromaticContact CD1-CE2 3.88Å; Y25-Y214 HydrophobicContact CD1-CE2 3.88Å; Y25-Y214 HydrophobicContact CD2-CE2 4.49Å; Y25-Y214 WeakPolarHBondContact CD2-OH 3.3Å; Y25-Y214 HydrophobicContact CE1-CE2 4.43Å; Y25-Y214 AromaticContact CG-CE2 3.94Å; Y25-Y214 HydrophobicContact CG-CE2 3.94Å |
| 26 | F | 96.1 | Very high | 92.6 | Very high | 65 Ų | 65 | 66.7 Ų | 66.7 | 29% | 0.285 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -72.3 | -33.5 | -177.2 | -81.6 | -77 | 0 | 0 | 0 | 113.5 | T22 C23 V24 W29 M210 Y214 | T22-F26 HydrophobicContact CG2-CD2 3.82Å; T22-F26 HydrophobicContact CG2-CE2 3.83Å; T22-F26 VanDerWaalsContact O-CD2 3.31Å; T22-F26 WeakPolarHBondContact O-CD2 3.44Å; T22-F26 PolarHBondContact O-N 2.94Å; T22-F26 VanDerWaalsContact O-N 3.08Å; C23-F26 PolarHBondContact O-N 3.25Å; V24-F26 PolarHBondContact O-N 2.9Å; F26-W29 HydrophobicContact CD1-CE3 4.02Å; F26-W29 AromaticContact CD1-CZ3 3.47Å; F26-W29 HydrophobicContact CD1-CZ3 3.47Å; F26-W29 VanDerWaalsContact CD1-CZ3 3.47Å; F26-W29 HydrophobicContact CE1-CH2 4.46Å; F26-W29 AromaticContact CE1-CZ3 3.73Å; F26-W29 HydrophobicContact CE1-CZ3 3.73Å; F26-M210 HydrophobicContact CE1-CB 4.47Å; F26-M210 HydrophobicContact CZ-CB 3.86Å; F26-Y214 HydrophobicContact CE2-CD2 4.2Å; F26-Y214 HydrophobicContact CE2-CE2 4.5Å |
| 27 | V | 95.6 | Very high | 92.6 | Very high | 123 Ų | 123 | 73.7 Ų | 73.7 | 75% | 0.745 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -75 | -44.7 | 179.1 | 169.4 | 0 | 0 | 0 | 0 | 111.4 | C23 V24 W29 | C23-V27 WeakPolarHBondContact O-CB 3.34Å; C23-V27 VanDerWaalsContact O-CG2 3.22Å; C23-V27 WeakPolarHBondContact O-CG2 3.43Å; C23-V27 PolarHBondContact O-N 2.84Å; V24-V27 PolarHBondContact O-N 3.43Å; V27-W29 VanDerWaalsContact C-N 3.31Å; V27-W29 PolarHBondContact O-N 3.23Å |
| 28 | L | 93.9 | Very high | 92.4 | Very high | 87 Ų | 87 | 74.9 Ų | 74.9 | 46% | 0.455 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -69.4 | -32.6 | 179.1 | -69.1 | 179.4 | 0 | 0 | 0 | 112 | V24 L30 I42 | V24-L28 HydrophobicContact CG1-CD1 3.59Å; V24-L28 HydrophobicContact CG1-CG 4.15Å; V24-L28 WeakPolarHBondContact O-CB 3.23Å; V24-L28 WeakPolarHBondContact O-CG 3.46Å; V24-L28 PolarHBondContact O-N 3.09Å; L28-L30 HydrophobicContact CB-CG 4.32Å; L28-L30 PolarHBondContact O-N 2.7Å; L28-I42 HydrophobicContact CD1-CD1 3.53Å; L28-I42 HydrophobicContact CD1-CG1 4.24Å; L28-I42 HydrophobicContact CD1-CG2 4.46Å |
| 29 | W | 92.9 | Very high | 92.3 | Very high | 107 Ų | 107 | 75.1 Ų | 75.1 | 41% | 0.405 | 41% | 0.408 | S | S | . | . | trans | 42.4 | 42.2 | 173.8 | -158.5 | -105.2 | 0 | 0 | 0 | 114.3 | Y25 F26 V27 R206 A207 | Y25-W29 HydrophobicContact CE1-CZ3 4.48Å; Y25-W29 PolarHBondContact O-N 2.96Å; Y25-W29 VanDerWaalsContact O-N 3.13Å; F26-W29 HydrophobicContact CD1-CE3 4.02Å; F26-W29 AromaticContact CD1-CZ3 3.47Å; F26-W29 HydrophobicContact CD1-CZ3 3.47Å; F26-W29 VanDerWaalsContact CD1-CZ3 3.47Å; F26-W29 HydrophobicContact CE1-CH2 4.46Å; F26-W29 AromaticContact CE1-CZ3 3.73Å; F26-W29 HydrophobicContact CE1-CZ3 3.73Å; V27-W29 VanDerWaalsContact C-N 3.31Å; V27-W29 PolarHBondContact O-N 3.23Å; W29-R206 HydrophobicContact CH2-CB 4.16Å; W29-R206 HydrophobicContact CH2-CG 3.85Å; W29-R206 HydrophobicContact CZ2-CB 4.26Å; W29-R206 HydrophobicContact CZ2-CG 4.15Å; W29-R206 HydrophobicContact CZ3-CG 4.47Å; W29-A207 HydrophobicContact CH2-CB 3.85Å | ||
| 30 | L | 89.8 | Confident | 92.1 | Very high | 50 Ų | 50 | 70.6 Ų | 70.6 | 26% | 0.262 | 39% | 0.39 | S | S | . | . | trans | -55.2 | 139.6 | -170 | -67.8 | -179.9 | 0 | 0 | 0 | 112 | L28 S32 V38 I42 R206 | L28-L30 HydrophobicContact CB-CG 4.32Å; L28-L30 PolarHBondContact O-N 2.7Å; L30-S32 PolarHBondContact O-N 3.39Å; L30-V38 HydrophobicContact CD1-CG1 4.13Å; L30-I42 HydrophobicContact CD1-CD1 3.41Å; L30-I42 VanDerWaalsContact CD1-CD1 3.41Å; L30-I42 HydrophobicContact CG-CD1 4.34Å; L30-R206 PolarHBondContact O-NH1 3.36Å; L30-R206 PolarHBondContact O-NH2 3.49Å | ||
| 31 | P | 84.7 | Confident | 92.1 | Very high | 74 Ų | 74 | 69.3 Ų | 69.3 | 48% | 0.481 | 39% | 0.389 | S | S | . | . | trans | -60.1 | 133.3 | -173.7 | -21.3 | 31.3 | 0 | 0 | 0 | 112.8 | S33 S34 | P31-S33 PolarHBondContact O-N 3Å; P31-S34 PolarHBondContact O-OG 3.05Å | ||
| 32 | S | 78.4 | Confident | 92 | Very high | 79 Ų | 79 | 70.1 Ų | 70.1 | 55% | 0.552 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -19.6 | 177.1 | -58.6 | 0 | 0 | 0 | 0 | 113.1 | L30 S34 R206 | L30-S32 PolarHBondContact O-N 3.39Å; S32-S34 VanDerWaalsContact C-N 3.29Å; S32-S34 PolarHBondContact O-N 3.21Å; S32-R206 PolarHBondContact OG-NH1 2.88Å |
| 33 | S | 77.7 | Confident | 92 | Very high | 111 Ų | 111 | 69.7 Ų | 69.7 | 78% | 0.776 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -15.4 | 178.7 | 52.6 | 0 | 0 | 0 | 0 | 114 | P31 P35 | P31-S33 PolarHBondContact O-N 3Å; S33-P35 WeakPolarHBondContact O-CD 3.37Å |
| 34 | S | 85.6 | Confident | 92 | Very high | 65 Ų | 65 | 67 Ų | 67 | 46% | 0.455 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -122.8 | 76.9 | -178.7 | 59 | 0 | 0 | 0 | 0 | 110.1 | P31 S32 S36 | P31-S34 PolarHBondContact O-OG 3.05Å; S32-S34 VanDerWaalsContact C-N 3.29Å; S32-S34 PolarHBondContact O-N 3.21Å; S34-S36 PolarHBondContact O-N 3.29Å |
| 35 | P | 89.4 | Confident | 92 | Very high | 38 Ų | 38 | 66.9 Ų | 66.9 | 25% | 0.247 | 37% | 0.367 | C | S | . | . | trans | -64.2 | 134.3 | -177.9 | 28.1 | -34.8 | 0 | 0 | 0 | 110.4 | S33 I86 W87 | S33-P35 WeakPolarHBondContact O-CD 3.37Å; P35-I86 HydrophobicContact CB-CG2 3.61Å; P35-I86 WeakPolarHBondContact CB-O 3.18Å; P35-W87 HydrophobicContact CB-CD2 4.39Å; P35-W87 HydrophobicContact CB-CG 4.18Å | ||
| 36 | S | 94 | Very high | 92.1 | Very high | 42 Ų | 42 | 66.3 Ų | 66.3 | 29% | 0.294 | 37% | 0.365 | S | S | . | . | trans | -148 | 155.5 | -176.7 | 61.3 | 0 | 0 | 0 | 0 | 111.3 | S34 V38 S39 A40 | S34-S36 PolarHBondContact O-N 3.29Å; S36-V38 PolarHBondContact O-N 3.33Å; S36-S39 PolarHBondContact N-OG 2.83Å; S36-S39 PolarHBondContact O-N 3.09Å; S36-S39 PolarHBondContact O-OG 2.83Å; S36-S39 WeakPolarHBondContact OG-CB 3.34Å; S36-S39 PolarHBondContact OG-N 3.46Å; S36-S39 VanDerWaalsContact OG-N 3.11Å; S36-S39 PolarHBondContact OG-OG 3.06Å; S36-A40 PolarHBondContact O-N 3.46Å | ||
| 37 | W | 93.4 | Very high | 92.2 | Very high | 211 Ų | 211 | 63.2 Ų | 63.2 | 80% | 0.799 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -56.2 | -33 | 172.3 | -66.8 | 110.9 | 0 | 0 | 0 | 112.8 | A40 L41 W87 | W37-A40 PolarHBondContact O-N 2.7Å; W37-L41 WeakPolarHBondContact O-CB 3.42Å; W37-L41 PolarHBondContact O-N 3.25Å; W37-W87 AromaticContact CD2-CH2 3.91Å; W37-W87 HydrophobicContact CD2-CH2 3.91Å; W37-W87 HydrophobicContact CD2-CZ2 4.24Å; W37-W87 AromaticContact CE3-CH2 3.7Å; W37-W87 HydrophobicContact CE3-CH2 3.7Å; W37-W87 HydrophobicContact CE3-CZ2 4.46Å; W37-W87 HydrophobicContact CE3-CZ3 4.43Å; W37-W87 HydrophobicContact CG-CH2 4.44Å; W37-W87 HydrophobicContact CZ3-CH2 4.02Å; W37-W87 HydrophobicContact CZ3-CZ3 4.4Å |
| 38 | V | 94.5 | Very high | 92.2 | Very high | 90 Ų | 90 | 62.2 Ų | 62.2 | 55% | 0.545 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66 | -45 | 174.8 | 178.6 | 0 | 0 | 0 | 0 | 111.2 | L30 S36 A40 L41 I42 | L30-V38 HydrophobicContact CD1-CG1 4.13Å; S36-V38 PolarHBondContact O-N 3.33Å; V38-A40 VanDerWaalsContact C-N 3.32Å; V38-A40 PolarHBondContact O-N 3.43Å; V38-L41 PolarHBondContact O-N 2.7Å; V38-I42 HydrophobicContact CG1-CD1 3.7Å; V38-I42 WeakPolarHBondContact O-CG1 3.13Å; V38-I42 PolarHBondContact O-N 3.04Å |
| 39 | S | 93.4 | Very high | 92.4 | Very high | 11 Ų | 11 | 58.7 Ų | 58.7 | 8% | 0.077 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.5 | -37 | 176 | 67.2 | 0 | 0 | 0 | 0 | 112.9 | S36 K43 I86 | S36-S39 PolarHBondContact N-OG 2.83Å; S36-S39 PolarHBondContact O-N 3.09Å; S36-S39 PolarHBondContact O-OG 2.83Å; S36-S39 WeakPolarHBondContact OG-CB 3.34Å; S36-S39 PolarHBondContact OG-N 3.46Å; S36-S39 VanDerWaalsContact OG-N 3.11Å; S36-S39 PolarHBondContact OG-OG 3.06Å; S39-K43 VanDerWaalsContact O-CB 3.31Å; S39-K43 WeakPolarHBondContact O-CB 3.39Å; S39-K43 PolarHBondContact O-N 2.98Å; S39-I86 WeakPolarHBondContact OG-CG2 3.43Å |
| 40 | A | 95.1 | Very high | 92.6 | Very high | 5 Ų | 5 | 53.6 Ų | 53.6 | 4% | 0.041 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.4 | -48.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S36 W37 V38 I42 K43 C44 A83 I86 W87 | S36-A40 PolarHBondContact O-N 3.46Å; W37-A40 PolarHBondContact O-N 2.7Å; V38-A40 VanDerWaalsContact C-N 3.32Å; V38-A40 PolarHBondContact O-N 3.43Å; A40-I42 VanDerWaalsContact C-N 3.34Å; A40-I42 PolarHBondContact O-N 3.49Å; A40-K43 PolarHBondContact O-N 3.44Å; A40-K43 VanDerWaalsContact O-N 3.15Å; A40-C44 WeakPolarHBondContact O-CB 3.33Å; A40-C44 PolarHBondContact O-N 3.32Å; A40-C44 PolarHBondContact O-SG 3.43Å; A40-A83 HydrophobicContact CB-CB 4.45Å; A40-I86 HydrophobicContact CB-CB 4.48Å; A40-I86 HydrophobicContact CB-CG1 3.99Å; A40-W87 HydrophobicContact CB-CH2 3.78Å; A40-W87 HydrophobicContact CB-CZ3 3.7Å |
| 41 | L | 95.7 | Very high | 92.8 | Very high | 117 Ų | 117 | 54.7 Ų | 54.7 | 61% | 0.613 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -55.8 | -48.6 | 177.3 | -179.2 | 64.2 | 0 | 0 | 0 | 111.7 | W37 V38 K43 C44 L45 | W37-L41 WeakPolarHBondContact O-CB 3.42Å; W37-L41 PolarHBondContact O-N 3.25Å; V38-L41 PolarHBondContact O-N 2.7Å; L41-K43 VanDerWaalsContact C-N 3.32Å; L41-K43 PolarHBondContact O-N 2.94Å; L41-C44 PolarHBondContact O-N 3Å; L41-L45 WeakPolarHBondContact O-CB 3.35Å; L41-L45 PolarHBondContact O-N 3.23Å |
| 42 | I | 95.6 | Very high | 93.3 | Very high | 21 Ų | 21 | 54.8 Ų | 54.8 | 11% | 0.108 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.8 | -37.3 | -180 | -71.1 | 160.7 | 0 | 0 | 0 | 111.4 | Y25 L28 L30 V38 A40 | Y25-I42 HydrophobicContact CD2-CG2 3.97Å; L28-I42 HydrophobicContact CD1-CD1 3.53Å; L28-I42 HydrophobicContact CD1-CG1 4.24Å; L28-I42 HydrophobicContact CD1-CG2 4.46Å; L30-I42 HydrophobicContact CD1-CD1 3.41Å; L30-I42 VanDerWaalsContact CD1-CD1 3.41Å; L30-I42 HydrophobicContact CG-CD1 4.34Å; V38-I42 HydrophobicContact CG1-CD1 3.7Å; V38-I42 WeakPolarHBondContact O-CG1 3.13Å; V38-I42 PolarHBondContact O-N 3.04Å; A40-I42 VanDerWaalsContact C-N 3.34Å; A40-I42 PolarHBondContact O-N 3.49Å |
| 43 | K | 95.6 | Very high | 94.1 | Very high | 15 Ų | 15 | 51.2 Ų | 51.2 | 7% | 0.065 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.3 | -38.8 | 176.4 | -169.4 | 179.1 | 174.7 | -160.4 | 0 | 112.6 | Y25 S39 A40 L41 P46 D82 I86 M210 Y214 | Y25-K43 HydrophobicContact CD2-CB 4.25Å; Y25-K43 HydrophobicContact CD2-CG 4.48Å; Y25-K43 HydrophobicContact CE2-CB 3.84Å; Y25-K43 HydrophobicContact CE2-CG 3.82Å; S39-K43 VanDerWaalsContact O-CB 3.31Å; S39-K43 WeakPolarHBondContact O-CB 3.39Å; S39-K43 PolarHBondContact O-N 2.98Å; A40-K43 PolarHBondContact O-N 3.44Å; A40-K43 VanDerWaalsContact O-N 3.15Å; L41-K43 VanDerWaalsContact C-N 3.32Å; L41-K43 PolarHBondContact O-N 2.94Å; K43-P46 WeakPolarHBondContact O-CD 3.45Å; K43-D82 HydrophobicContact CD-CB 4.27Å; K43-D82 WeakPolarHBondContact CE-OD1 3.06Å; K43-D82 HydrophobicContact CG-CB 4.31Å; K43-D82 PolarHBondContact NZ-O 3.18Å; K43-D82 IonicContact NZ-OD1 3.35Å; K43-D82 PolarHBondContact NZ-OD1 3.35Å; K43-I86 HydrophobicContact CB-CD1 4.29Å; K43-I86 HydrophobicContact CD-CD1 3.62Å; K43-I86 HydrophobicContact CD-CG1 4.13Å; K43-M210 HydrophobicContact CD-CE 4.43Å; K43-M210 HydrophobicContact CG-CE 3.86Å; K43-Y214 PolarHBondContact O-OH 3.4Å |
| 44 | C | 97.2 | Very high | 94.8 | Very high | 21 Ų | 21 | 46 Ų | 46 | 14% | 0.142 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -80.2 | -19.3 | -179.9 | -59.2 | 0 | 0 | 0 | 0 | 113 | A40 L41 I47 F48 A79 | A40-C44 WeakPolarHBondContact O-CB 3.33Å; A40-C44 PolarHBondContact O-N 3.32Å; A40-C44 PolarHBondContact O-SG 3.43Å; L41-C44 PolarHBondContact O-N 3Å; C44-I47 WeakPolarHBondContact O-CB 3.35Å; C44-I47 PolarHBondContact O-N 3.36Å; C44-F48 PolarHBondContact O-N 3.03Å; C44-A79 HydrophobicContact CB-CB 4.41Å; C44-A79 PolarHBondContact SG-O 2.99Å |
| 45 | L | 96.8 | Very high | 95 | Very high | 60 Ų | 60 | 45.1 Ų | 45.1 | 31% | 0.314 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -56.2 | -43.8 | -173 | -172.9 | 66.8 | 0 | 0 | 0 | 114 | A21 L41 I47 F48 C49 | A21-L45 HydrophobicContact CB-CB 4.32Å; A21-L45 HydrophobicContact CB-CD2 3.88Å; A21-L45 HydrophobicContact CB-CG 3.74Å; L41-L45 WeakPolarHBondContact O-CB 3.35Å; L41-L45 PolarHBondContact O-N 3.23Å; L45-I47 VanDerWaalsContact C-N 3.32Å; L45-I47 PolarHBondContact O-N 3.02Å; L45-F48 WeakPolarHBondContact O-CB 3.32Å; L45-F48 PolarHBondContact O-N 2.91Å; L45-C49 PolarHBondContact O-N 3.35Å; L45-C49 PolarHBondContact O-SG 3.04Å; L45-C49 VanDerWaalsContact O-SG 3.33Å |
| 46 | P | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.3 | -40.9 | 175.7 | -26 | 38.1 | 0 | 0 | 0 | 112.5 | F18 A21 K43 F48 C49 L50 Y214 | F18-P46 HydrophobicContact CD2-CB 3.84Å; F18-P46 WeakPolarHBondContact CD2-O 3.23Å; F18-P46 HydrophobicContact CE2-CB 3.75Å; A21-P46 HydrophobicContact CB-CB 4.34Å; A21-P46 HydrophobicContact CB-CG 3.94Å; K43-P46 WeakPolarHBondContact O-CD 3.45Å; P46-F48 VanDerWaalsContact C-N 3.34Å; P46-F48 PolarHBondContact O-N 2.89Å; P46-C49 WeakPolarHBondContact O-CB 3.37Å; P46-C49 PolarHBondContact O-N 2.88Å; P46-C49 VanDerWaalsContact O-N 3.13Å; P46-L50 PolarHBondContact O-N 3.3Å; P46-L50 VanDerWaalsContact O-N 3.09Å; P46-Y214 HydrophobicContact CB-CD1 3.95Å; P46-Y214 HydrophobicContact CB-CE1 3.79Å; P46-Y214 HydrophobicContact CB-CE2 4.48Å; P46-Y214 HydrophobicContact CB-CG 4.37Å; P46-Y214 HydrophobicContact CG-CD1 4.36Å; P46-Y214 HydrophobicContact CG-CD2 4.46Å; P46-Y214 HydrophobicContact CG-CE1 3.82Å; P46-Y214 HydrophobicContact CG-CE2 3.92Å |
| 47 | I | 98 | Very high | 94.7 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.1 | -39.8 | 178.5 | -50.8 | -51.9 | 0 | 0 | 0 | 110.8 | C44 L45 C49 L50 W51 L75 A79 Y213 Y214 Q217 | C44-I47 WeakPolarHBondContact O-CB 3.35Å; C44-I47 PolarHBondContact O-N 3.36Å; L45-I47 VanDerWaalsContact C-N 3.32Å; L45-I47 PolarHBondContact O-N 3.02Å; I47-C49 VanDerWaalsContact C-N 3.3Å; I47-C49 PolarHBondContact O-N 2.98Å; I47-L50 WeakPolarHBondContact O-CB 3.46Å; I47-L50 PolarHBondContact O-N 2.81Å; I47-L50 VanDerWaalsContact O-N 3.12Å; I47-W51 PolarHBondContact O-N 3.46Å; I47-L75 HydrophobicContact CG2-CB 4.13Å; I47-L75 HydrophobicContact CG2-CD2 3.9Å; I47-L75 VanDerWaalsContact CG2-O 3.24Å; I47-L75 WeakPolarHBondContact CG2-O 3.36Å; I47-A79 HydrophobicContact CB-CB 4.24Å; I47-A79 HydrophobicContact CG2-CB 3.95Å; I47-Y213 HydrophobicContact CD1-CE1 3.86Å; I47-Y213 HydrophobicContact CG1-CE1 4.21Å; I47-Y214 HydrophobicContact CD1-CD1 3.95Å; I47-Y214 HydrophobicContact CD1-CE1 4.11Å; I47-Y214 HydrophobicContact CG1-CE1 4.38Å; I47-Q217 HydrophobicContact CD1-CB 3.82Å; I47-Q217 HydrophobicContact CD1-CG 3.7Å |
| 48 | F | 96.9 | Very high | 94.3 | Very high | 101 Ų | 101 | 36.7 Ų | 36.7 | 44% | 0.443 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.3 | -37.3 | 172.5 | -177.3 | -104.3 | 0 | 0 | 0 | 112.3 | C44 L45 P46 L50 W51 L52 | C44-F48 PolarHBondContact O-N 3.03Å; L45-F48 WeakPolarHBondContact O-CB 3.32Å; L45-F48 PolarHBondContact O-N 2.91Å; P46-F48 VanDerWaalsContact C-N 3.34Å; P46-F48 PolarHBondContact O-N 2.89Å; F48-L50 VanDerWaalsContact C-N 3.33Å; F48-L50 PolarHBondContact O-N 3.29Å; F48-W51 AromaticContact CD2-CE3 3.77Å; F48-W51 HydrophobicContact CD2-CE3 3.77Å; F48-W51 HydrophobicContact CD2-CZ3 4.28Å; F48-W51 HydrophobicContact CE2-CD2 4.47Å; F48-W51 AromaticContact CE2-CE3 3.41Å; F48-W51 HydrophobicContact CE2-CE3 3.41Å; F48-W51 VanDerWaalsContact CE2-CE3 3.41Å; F48-W51 AromaticContact CE2-CZ3 3.47Å; F48-W51 HydrophobicContact CE2-CZ3 3.47Å; F48-W51 VanDerWaalsContact CE2-CZ3 3.47Å; F48-W51 HydrophobicContact CZ-CE3 4.12Å; F48-W51 HydrophobicContact CZ-CZ3 4.02Å; F48-W51 WeakPolarHBondContact O-CB 3.46Å; F48-W51 PolarHBondContact O-N 3.29Å; F48-L52 HydrophobicContact CD1-CD1 4.08Å; F48-L52 HydrophobicContact CD1-CG 4.41Å; F48-L52 HydrophobicContact CE1-CD1 3.6Å; F48-L52 HydrophobicContact CE1-CD2 4.46Å; F48-L52 HydrophobicContact CE1-CG 4.04Å; F48-L52 HydrophobicContact CZ-CD1 4.16Å; F48-L52 HydrophobicContact CZ-CD2 4.2Å; F48-L52 HydrophobicContact CZ-CG 4.21Å; F48-L52 WeakPolarHBondContact O-CG 3.34Å; F48-L52 PolarHBondContact O-N 3.47Å |
| 49 | C | 97.4 | Very high | 93.9 | Very high | 14 Ų | 14 | 38 Ų | 38 | 10% | 0.095 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.1 | -36.6 | 172.8 | -66.3 | 0 | 0 | 0 | 0 | 112.6 | P17 F18 L45 P46 I47 W51 L52 F53 | P17-C49 HydrophobicContact CB-CB 4.27Å; F18-C49 HydrophobicContact CB-CB 3.92Å; L45-C49 PolarHBondContact O-N 3.35Å; L45-C49 PolarHBondContact O-SG 3.04Å; L45-C49 VanDerWaalsContact O-SG 3.33Å; P46-C49 WeakPolarHBondContact O-CB 3.37Å; P46-C49 PolarHBondContact O-N 2.88Å; P46-C49 VanDerWaalsContact O-N 3.13Å; I47-C49 VanDerWaalsContact C-N 3.3Å; I47-C49 PolarHBondContact O-N 2.98Å; C49-W51 VanDerWaalsContact C-N 3.34Å; C49-L52 PolarHBondContact O-N 2.62Å; C49-F53 WeakPolarHBondContact O-CB 2.94Å; C49-F53 PolarHBondContact O-N 3.5Å |
| 50 | L | 97.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.7 | -34.5 | 174.6 | -64.9 | 175.8 | 0 | 0 | 0 | 112.3 | L15 F18 P46 I47 F48 F53 L54 L75 Q217 M218 A221 | L15-L50 HydrophobicContact CD2-CD2 3.86Å; F18-L50 HydrophobicContact CB-CD2 4.15Å; F18-L50 HydrophobicContact CD1-CD2 4.42Å; F18-L50 HydrophobicContact CD2-CD1 3.96Å; F18-L50 HydrophobicContact CD2-CD2 3.65Å; F18-L50 HydrophobicContact CD2-CG 3.54Å; F18-L50 HydrophobicContact CE2-CD1 3.75Å; F18-L50 HydrophobicContact CE2-CD2 4.12Å; F18-L50 HydrophobicContact CE2-CG 3.9Å; F18-L50 HydrophobicContact CG-CD2 3.81Å; F18-L50 HydrophobicContact CG-CG 4.21Å; P46-L50 PolarHBondContact O-N 3.3Å; P46-L50 VanDerWaalsContact O-N 3.09Å; I47-L50 WeakPolarHBondContact O-CB 3.46Å; I47-L50 PolarHBondContact O-N 2.81Å; I47-L50 VanDerWaalsContact O-N 3.12Å; F48-L50 VanDerWaalsContact C-N 3.33Å; F48-L50 PolarHBondContact O-N 3.29Å; L50-F53 WeakPolarHBondContact O-CB 3.12Å; L50-F53 PolarHBondContact O-N 3Å; L50-L54 PolarHBondContact O-N 2.82Å; L50-L75 HydrophobicContact CB-CD1 4.1Å; L50-L75 HydrophobicContact CB-CD2 4.24Å; L50-L75 HydrophobicContact CD1-CD2 4.28Å; L50-Q217 VanDerWaalsContact CD1-C 3.48Å; L50-Q217 HydrophobicContact CD1-CB 3.67Å; L50-M218 HydrophobicContact CD1-CB 4.45Å; L50-M218 HydrophobicContact CD2-CB 4.26Å; L50-M218 HydrophobicContact CD2-CG 4.34Å; L50-A221 HydrophobicContact CB-CB 4.36Å; L50-A221 HydrophobicContact CD2-CB 4.26Å |
| 51 | W | 94.4 | Very high | 93 | Very high | 72 Ų | 72 | 48.3 Ų | 48.3 | 27% | 0.273 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.5 | -46.8 | 172.1 | -177.2 | 80 | 0 | 0 | 0 | 111.5 | I47 F48 C49 F53 L54 L55 F72 | I47-W51 PolarHBondContact O-N 3.46Å; F48-W51 AromaticContact CD2-CE3 3.77Å; F48-W51 HydrophobicContact CD2-CE3 3.77Å; F48-W51 HydrophobicContact CD2-CZ3 4.28Å; F48-W51 HydrophobicContact CE2-CD2 4.47Å; F48-W51 AromaticContact CE2-CE3 3.41Å; F48-W51 HydrophobicContact CE2-CE3 3.41Å; F48-W51 VanDerWaalsContact CE2-CE3 3.41Å; F48-W51 AromaticContact CE2-CZ3 3.47Å; F48-W51 HydrophobicContact CE2-CZ3 3.47Å; F48-W51 VanDerWaalsContact CE2-CZ3 3.47Å; F48-W51 HydrophobicContact CZ-CE3 4.12Å; F48-W51 HydrophobicContact CZ-CZ3 4.02Å; F48-W51 WeakPolarHBondContact O-CB 3.46Å; F48-W51 PolarHBondContact O-N 3.29Å; C49-W51 VanDerWaalsContact C-N 3.34Å; W51-F53 VanDerWaalsContact C-N 3.34Å; W51-F53 PolarHBondContact O-N 3.49Å; W51-L54 PolarHBondContact O-N 3.07Å; W51-L55 HydrophobicContact CD2-CD1 3.94Å; W51-L55 HydrophobicContact CE3-CD1 3.88Å; W51-L55 HydrophobicContact CH2-CD1 3.76Å; W51-L55 HydrophobicContact CZ2-CD1 3.83Å; W51-L55 HydrophobicContact CZ3-CD1 3.8Å; W51-L55 PolarHBondContact O-N 3.44Å; W51-L55 VanDerWaalsContact O-N 3.09Å; W51-F72 AromaticContact CD1-CD2 3.46Å; W51-F72 VanDerWaalsContact CD1-CD2 3.46Å; W51-F72 AromaticContact CD1-CE2 3.04Å; W51-F72 AromaticContact CD1-CZ 3.45Å; W51-F72 VanDerWaalsContact CD1-CZ 3.45Å; W51-F72 AromaticContact CD2-CE2 3.97Å; W51-F72 HydrophobicContact CD2-CE2 3.97Å; W51-F72 HydrophobicContact CD2-CZ 4.21Å; W51-F72 AromaticContact CE2-CE2 3.52Å; W51-F72 AromaticContact CE2-CZ 3.3Å; W51-F72 HydrophobicContact CG-CD2 4.26Å; W51-F72 AromaticContact CG-CE2 3.69Å; W51-F72 HydrophobicContact CG-CE2 3.69Å; W51-F72 HydrophobicContact CG-CZ 4.27Å; W51-F72 HydrophobicContact CZ2-CE2 4.3Å; W51-F72 AromaticContact CZ2-CZ 3.72Å; W51-F72 HydrophobicContact CZ2-CZ 3.72Å; W51-F72 AromaticContact NE1-CD2 3.75Å; W51-F72 AromaticContact NE1-CE1 3.38Å; W51-F72 AromaticContact NE1-CE2 2.96Å; W51-F72 AromaticContact NE1-CZ 2.8Å |
| 52 | L | 94.5 | Very high | 92.5 | Very high | 77 Ų | 77 | 43.3 Ų | 43.3 | 40% | 0.403 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.9 | -37.5 | 173.1 | -66.9 | -179.6 | 0 | 0 | 0 | 112.6 | F48 C49 L54 L55 A56 | F48-L52 HydrophobicContact CD1-CD1 4.08Å; F48-L52 HydrophobicContact CD1-CG 4.41Å; F48-L52 HydrophobicContact CE1-CD1 3.6Å; F48-L52 HydrophobicContact CE1-CD2 4.46Å; F48-L52 HydrophobicContact CE1-CG 4.04Å; F48-L52 HydrophobicContact CZ-CD1 4.16Å; F48-L52 HydrophobicContact CZ-CD2 4.2Å; F48-L52 HydrophobicContact CZ-CG 4.21Å; F48-L52 WeakPolarHBondContact O-CG 3.34Å; F48-L52 PolarHBondContact O-N 3.47Å; C49-L52 PolarHBondContact O-N 2.62Å; L52-L54 VanDerWaalsContact C-N 3.34Å; L52-L54 PolarHBondContact O-N 3.15Å; L52-L55 HydrophobicContact CD2-CD1 4.37Å; L52-L55 PolarHBondContact O-N 2.99Å; L52-A56 PolarHBondContact O-N 3.29Å |
| 53 | F | 94.6 | Very high | 91.9 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.3 | -44.4 | 175.3 | 163.2 | -98.3 | 0 | 0 | 0 | 111.8 | E11 K14 L15 C49 L50 W51 A56 H57 A221 L222 V225 | E11-F53 HydrophobicContact CB-CE2 4.23Å; E11-F53 HydrophobicContact CB-CZ 4.41Å; E11-F53 WeakPolarHBondContact OE2-CE2 3.41Å; K14-F53 HydrophobicContact CB-CD2 3.57Å; K14-F53 HydrophobicContact CB-CE2 3.86Å; K14-F53 HydrophobicContact CD-CD2 4.42Å; K14-F53 HydrophobicContact CD-CE2 4.27Å; L15-F53 HydrophobicContact CD2-CD1 4.28Å; L15-F53 HydrophobicContact CD2-CD2 3.77Å; L15-F53 HydrophobicContact CD2-CE1 4.48Å; L15-F53 HydrophobicContact CD2-CE2 4.01Å; L15-F53 HydrophobicContact CD2-CG 3.93Å; L15-F53 HydrophobicContact CD2-CZ 4.37Å; L15-F53 HydrophobicContact CG-CD2 4.1Å; L15-F53 HydrophobicContact CG-CE2 4.03Å; C49-F53 WeakPolarHBondContact O-CB 2.94Å; C49-F53 PolarHBondContact O-N 3.5Å; L50-F53 WeakPolarHBondContact O-CB 3.12Å; L50-F53 PolarHBondContact O-N 3Å; W51-F53 VanDerWaalsContact C-N 3.34Å; W51-F53 PolarHBondContact O-N 3.49Å; F53-A56 WeakPolarHBondContact O-CB 3.43Å; F53-A56 PolarHBondContact O-N 3.45Å; F53-H57 AromaticContact CE2-CE1 3.72Å; F53-H57 AromaticContact CZ-CE1 3.75Å; F53-H57 PolarHBondContact O-CE1 3.02Å; F53-H57 PolarHBondContact O-ND1 2.82Å; F53-A221 HydrophobicContact CD1-CB 4.41Å; F53-L222 HydrophobicContact CE1-CD2 4.46Å; F53-L222 HydrophobicContact CZ-CD2 3.92Å; F53-V225 HydrophobicContact CE1-CG2 3.59Å; F53-V225 HydrophobicContact CZ-CB 4.34Å; F53-V225 HydrophobicContact CZ-CG1 4.32Å; F53-V225 HydrophobicContact CZ-CG2 3.78Å |
| 54 | L | 93 | Very high | 91.4 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68 | -37.6 | 175 | -68.8 | -177.9 | 0 | 0 | 0 | 112.1 | L50 W51 L52 A56 H57 L62 I71 F72 L75 A224 V225 | L50-L54 PolarHBondContact O-N 2.82Å; W51-L54 PolarHBondContact O-N 3.07Å; L52-L54 VanDerWaalsContact C-N 3.34Å; L52-L54 PolarHBondContact O-N 3.15Å; L54-A56 VanDerWaalsContact C-N 3.29Å; L54-A56 PolarHBondContact O-N 3.25Å; L54-H57 WeakPolarHBondContact O-CB 3.29Å; L54-H57 PolarHBondContact O-N 3.46Å; L54-H57 VanDerWaalsContact O-N 3.16Å; L54-L62 HydrophobicContact CB-CD2 4.36Å; L54-I71 HydrophobicContact CD1-CG2 4.04Å; L54-F72 HydrophobicContact CB-CD2 4.11Å; L54-F72 HydrophobicContact CD1-CB 4.06Å; L54-F72 HydrophobicContact CD1-CD2 4.38Å; L54-L75 HydrophobicContact CD1-CD1 3.71Å; L54-A224 HydrophobicContact CD2-CB 4.1Å; L54-V225 HydrophobicContact CD2-CG2 3.67Å |
| 55 | L | 91.2 | Very high | 90.9 | Very high | 48 Ų | 48 | 54.4 Ų | 54.4 | 25% | 0.251 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.2 | -30.7 | 174.6 | -75.6 | 166.2 | 0 | 0 | 0 | 113.4 | W51 L52 H57 G58 I59 L62 F72 | W51-L55 HydrophobicContact CD2-CD1 3.94Å; W51-L55 HydrophobicContact CE3-CD1 3.88Å; W51-L55 HydrophobicContact CH2-CD1 3.76Å; W51-L55 HydrophobicContact CZ2-CD1 3.83Å; W51-L55 HydrophobicContact CZ3-CD1 3.8Å; W51-L55 PolarHBondContact O-N 3.44Å; W51-L55 VanDerWaalsContact O-N 3.09Å; L52-L55 HydrophobicContact CD2-CD1 4.37Å; L52-L55 PolarHBondContact O-N 2.99Å; L55-H57 PolarHBondContact O-N 2.93Å; L55-H57 VanDerWaalsContact O-N 3.12Å; L55-G58 WeakPolarHBondContact O-CA 3.3Å; L55-G58 PolarHBondContact O-N 3.24Å; L55-I59 HydrophobicContact CD2-CG1 4.25Å; L55-L62 HydrophobicContact CD2-CD1 3.73Å; L55-L62 HydrophobicContact CG-CD1 4.45Å; L55-F72 HydrophobicContact CD1-CE2 3.88Å; L55-F72 HydrophobicContact CD1-CZ 4.06Å; L55-F72 HydrophobicContact CD2-CE2 3.88Å; L55-F72 HydrophobicContact CD2-CZ 3.87Å; L55-F72 HydrophobicContact CG-CE2 3.55Å; L55-F72 HydrophobicContact CG-CZ 3.97Å |
| 56 | A | 90.1 | Very high | 90.5 | Very high | 68 Ų | 68 | 56 Ų | 56 | 56% | 0.562 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -15.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | K14 L52 F53 L54 G58 | K14-A56 HydrophobicContact CD-CB 4.49Å; L52-A56 PolarHBondContact O-N 3.29Å; F53-A56 WeakPolarHBondContact O-CB 3.43Å; F53-A56 PolarHBondContact O-N 3.45Å; L54-A56 VanDerWaalsContact C-N 3.29Å; L54-A56 PolarHBondContact O-N 3.25Å; A56-G58 VanDerWaalsContact C-N 3.31Å |
| 57 | H | 86.5 | Confident | 90 | Very high | 18 Ų | 18 | 58.7 Ų | 58.7 | 8% | 0.083 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -7.6 | 171.2 | -66.1 | 80.6 | 0 | 0 | 0 | 113.4 | E11 K14 F53 L54 L55 F61 V225 | E11-H57 IonicContact OE1-NE2 2.99Å; E11-H57 IonicContact OE2-CE1 3.22Å; E11-H57 PolarHBondContact OE2-CE1 2.82Å; E11-H57 IonicContact OE2-NE2 3.5Å; E11-H57 PolarHBondContact OE2-NE2 3.29Å; K14-H57 PolarHBondContact NZ-CE1 2.93Å; K14-H57 PolarHBondContact NZ-NE2 3.46Å; F53-H57 AromaticContact CE2-CE1 3.72Å; F53-H57 AromaticContact CZ-CE1 3.75Å; F53-H57 PolarHBondContact O-CE1 3.02Å; F53-H57 PolarHBondContact O-ND1 2.82Å; L54-H57 WeakPolarHBondContact O-CB 3.29Å; L54-H57 PolarHBondContact O-N 3.46Å; L54-H57 VanDerWaalsContact O-N 3.16Å; L55-H57 PolarHBondContact O-N 2.93Å; L55-H57 VanDerWaalsContact O-N 3.12Å; H57-F61 HydrophobicContact CB-CB 4.41Å; H57-F61 HydrophobicContact CB-CD1 3.61Å; H57-F61 HydrophobicContact CB-CE1 3.98Å; H57-F61 HydrophobicContact CB-CG 3.98Å; H57-F61 VanDerWaalsContact O-CB 3.3Å; H57-F61 WeakPolarHBondContact O-CB 3.44Å; H57-V225 WeakPolarHBondContact NE2-CG1 3.48Å |
| 58 | G | 85.6 | Confident | 89.8 | Confident | 28 Ų | 28 | 58.7 Ų | 58.7 | 29% | 0.289 | 31% | 0.312 | S | S | . | . | trans | 102.8 | 143.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L55 A56 R60 F61 L62 | L55-G58 WeakPolarHBondContact O-CA 3.3Å; L55-G58 PolarHBondContact O-N 3.24Å; A56-G58 VanDerWaalsContact C-N 3.31Å; G58-R60 PolarHBondContact O-N 3.35Å; G58-F61 VanDerWaalsContact O-CB 3.3Å; G58-F61 WeakPolarHBondContact O-CB 3.46Å; G58-F61 PolarHBondContact O-N 3.5Å; G58-L62 PolarHBondContact O-N 3.37Å | ||
| 59 | I | 84.6 | Confident | 89.6 | Confident | 118 Ų | 118 | 56 Ų | 56 | 61% | 0.605 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -60.5 | -38.7 | 176 | -63.8 | 169.2 | 0 | 0 | 0 | 110.6 | L55 F61 L62 L63 | L55-I59 HydrophobicContact CD2-CG1 4.25Å; I59-F61 VanDerWaalsContact C-N 3.25Å; I59-F61 PolarHBondContact O-N 3.41Å; I59-L62 PolarHBondContact O-N 3.44Å; I59-L62 VanDerWaalsContact O-N 3.14Å; I59-L63 HydrophobicContact CG2-CD1 4.1Å; I59-L63 HydrophobicContact CG2-CG 4.34Å; I59-L63 WeakPolarHBondContact O-CG 3.41Å; I59-L63 PolarHBondContact O-N 3.23Å |
| 60 | R | 84.3 | Confident | 89.6 | Confident | 206 Ų | 206 | 57.9 Ų | 57.9 | 78% | 0.777 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -59.2 | -36.7 | 175.5 | -172.6 | 176.4 | 179.9 | -174.2 | -0.9 | 112 | G58 L63 V64 | G58-R60 PolarHBondContact O-N 3.35Å; R60-L63 PolarHBondContact O-N 3.15Å; R60-V64 HydrophobicContact CG-CG2 4.12Å; R60-V64 WeakPolarHBondContact O-CB 3.42Å; R60-V64 WeakPolarHBondContact O-CG2 3.47Å; R60-V64 PolarHBondContact O-N 3.08Å |
| 61 | F | 85.6 | Confident | 89.6 | Confident | 25 Ų | 25 | 58 Ų | 58 | 11% | 0.11 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.6 | -45.4 | 175.8 | 164.4 | -94.5 | 0 | 0 | 0 | 111.2 | H57 G58 I59 L63 V64 H65 A68 A224 | H57-F61 HydrophobicContact CB-CB 4.41Å; H57-F61 HydrophobicContact CB-CD1 3.61Å; H57-F61 HydrophobicContact CB-CE1 3.98Å; H57-F61 HydrophobicContact CB-CG 3.98Å; H57-F61 VanDerWaalsContact O-CB 3.3Å; H57-F61 WeakPolarHBondContact O-CB 3.44Å; G58-F61 VanDerWaalsContact O-CB 3.3Å; G58-F61 WeakPolarHBondContact O-CB 3.46Å; G58-F61 PolarHBondContact O-N 3.5Å; I59-F61 VanDerWaalsContact C-N 3.25Å; I59-F61 PolarHBondContact O-N 3.41Å; F61-L63 VanDerWaalsContact C-N 3.31Å; F61-L63 PolarHBondContact O-N 2.83Å; F61-V64 PolarHBondContact O-N 3.23Å; F61-H65 AromaticContact CD2-CD2 3.25Å; F61-H65 WeakPolarHBondContact CD2-CD2 3.23Å; F61-H65 AromaticContact CD2-NE2 3.77Å; F61-H65 AromaticContact CE2-CD2 3.41Å; F61-H65 VanDerWaalsContact CE2-CD2 3.41Å; F61-H65 WeakPolarHBondContact CE2-CD2 3.28Å; F61-H65 AromaticContact CE2-NE2 3.92Å; F61-H65 WeakPolarHBondContact O-CB 3.22Å; F61-H65 PolarHBondContact O-CD2 3.46Å; F61-H65 VanDerWaalsContact O-CD2 3.29Å; F61-H65 PolarHBondContact O-N 2.94Å; F61-A68 HydrophobicContact CD1-CB 4.45Å; F61-A68 HydrophobicContact CE1-CB 3.65Å; F61-A68 HydrophobicContact CZ-CB 3.92Å; F61-A224 WeakPolarHBondContact CZ-O 3.15Å |
| 62 | L | 85.3 | Confident | 89.7 | Confident | 12 Ų | 12 | 56.2 Ų | 56.2 | 6% | 0.063 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.9 | -37.5 | 176.2 | -61.5 | 178.3 | 0 | 0 | 0 | 112.4 | L54 L55 G58 I59 A68 S69 F72 | L54-L62 HydrophobicContact CB-CD2 4.36Å; L55-L62 HydrophobicContact CD2-CD1 3.73Å; L55-L62 HydrophobicContact CG-CD1 4.45Å; G58-L62 PolarHBondContact O-N 3.37Å; I59-L62 PolarHBondContact O-N 3.44Å; I59-L62 VanDerWaalsContact O-N 3.14Å; L62-A68 HydrophobicContact CD2-CB 4.08Å; L62-S69 WeakPolarHBondContact O-CB 3.45Å; L62-F72 HydrophobicContact CD1-CD1 4.33Å; L62-F72 HydrophobicContact CD1-CD2 3.88Å; L62-F72 HydrophobicContact CD1-CE1 4.38Å; L62-F72 HydrophobicContact CD1-CE2 3.95Å; L62-F72 HydrophobicContact CD1-CG 4.04Å; L62-F72 HydrophobicContact CD1-CZ 4.14Å; L62-F72 HydrophobicContact CD2-CB 4.25Å; L62-F72 HydrophobicContact CD2-CG 4.49Å |
| 63 | L | 82.8 | Confident | 89.8 | Confident | 138 Ų | 138 | 55.1 Ų | 55.1 | 72% | 0.723 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -71.7 | -33.7 | 178.3 | -66.2 | 176 | 0 | 0 | 0 | 113.1 | I59 R60 F61 | I59-L63 HydrophobicContact CG2-CD1 4.1Å; I59-L63 HydrophobicContact CG2-CG 4.34Å; I59-L63 WeakPolarHBondContact O-CG 3.41Å; I59-L63 PolarHBondContact O-N 3.23Å; R60-L63 PolarHBondContact O-N 3.15Å; F61-L63 VanDerWaalsContact C-N 3.31Å; F61-L63 PolarHBondContact O-N 2.83Å |
| 64 | V | 85.8 | Confident | 90 | Very high | 89 Ų | 89 | 55 Ų | 55 | 54% | 0.539 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -83.6 | -26.7 | -178.2 | 172.8 | 0 | 0 | 0 | 0 | 112.2 | R60 F61 P66 | R60-V64 HydrophobicContact CG-CG2 4.12Å; R60-V64 WeakPolarHBondContact O-CB 3.42Å; R60-V64 WeakPolarHBondContact O-CG2 3.47Å; R60-V64 PolarHBondContact O-N 3.08Å; F61-V64 PolarHBondContact O-N 3.23Å; V64-P66 VanDerWaalsContact O-CD 3.32Å; V64-P66 WeakPolarHBondContact O-CD 3.31Å |
| 65 | H | 86.1 | Confident | 90.3 | Very high | 63 Ų | 63 | 55 Ų | 55 | 29% | 0.292 | 31% | 0.305 | S | S | . | . | trans | -112.2 | 95.9 | -178.6 | -63.4 | -73.3 | 0 | 0 | 0 | 111.7 | F61 S67 A68 S69 | F61-H65 AromaticContact CD2-CD2 3.25Å; F61-H65 WeakPolarHBondContact CD2-CD2 3.23Å; F61-H65 AromaticContact CD2-NE2 3.77Å; F61-H65 AromaticContact CE2-CD2 3.41Å; F61-H65 VanDerWaalsContact CE2-CD2 3.41Å; F61-H65 WeakPolarHBondContact CE2-CD2 3.28Å; F61-H65 AromaticContact CE2-NE2 3.92Å; F61-H65 WeakPolarHBondContact O-CB 3.22Å; F61-H65 PolarHBondContact O-CD2 3.46Å; F61-H65 VanDerWaalsContact O-CD2 3.29Å; F61-H65 PolarHBondContact O-N 2.94Å; H65-S67 VanDerWaalsContact C-N 3.27Å; H65-S67 PolarHBondContact O-N 3.47Å; H65-A68 HydrophobicContact CB-CB 4Å; H65-A68 WeakPolarHBondContact O-CB 3.44Å; H65-A68 PolarHBondContact O-N 3.13Å; H65-S69 PolarHBondContact O-N 3.49Å; H65-S69 VanDerWaalsContact O-N 3.13Å | ||
| 66 | P | 88.1 | Confident | 90.6 | Very high | 93 Ų | 93 | 55.8 Ų | 55.8 | 60% | 0.604 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -54.6 | -38.8 | -177.8 | -27.7 | 34.4 | 0 | 0 | 0 | 114 | V64 A68 S69 L70 | V64-P66 VanDerWaalsContact O-CD 3.32Å; V64-P66 WeakPolarHBondContact O-CD 3.31Å; P66-A68 VanDerWaalsContact C-N 3.35Å; P66-A68 PolarHBondContact O-N 2.96Å; P66-S69 WeakPolarHBondContact O-CB 3.32Å; P66-S69 PolarHBondContact O-N 3Å; P66-L70 WeakPolarHBondContact O-CG 3.22Å; P66-L70 PolarHBondContact O-N 3.47Å |
| 67 | S | 89.1 | Confident | 91 | Very high | 57 Ų | 57 | 55.8 Ų | 55.8 | 40% | 0.399 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 176.9 | -59.8 | 0 | 0 | 0 | 0 | 112.5 | H65 L70 I71 A110 | H65-S67 VanDerWaalsContact C-N 3.27Å; H65-S67 PolarHBondContact O-N 3.47Å; S67-L70 PolarHBondContact O-N 2.84Å; S67-I71 WeakPolarHBondContact O-CG1 3.36Å; S67-I71 PolarHBondContact O-N 3.49Å; S67-A110 WeakPolarHBondContact CB-O 3.34Å; S67-A110 WeakPolarHBondContact O-CB 3.32Å; S67-A110 PolarHBondContact OG-O 3.16Å |
| 68 | A | 92.1 | Very high | 91.5 | Very high | 2 Ų | 2 | 54.9 Ų | 54.9 | 2% | 0.017 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.8 | -38.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F61 L62 H65 P66 I71 F72 A224 | F61-A68 HydrophobicContact CD1-CB 4.45Å; F61-A68 HydrophobicContact CE1-CB 3.65Å; F61-A68 HydrophobicContact CZ-CB 3.92Å; L62-A68 HydrophobicContact CD2-CB 4.08Å; H65-A68 HydrophobicContact CB-CB 4Å; H65-A68 WeakPolarHBondContact O-CB 3.44Å; H65-A68 PolarHBondContact O-N 3.13Å; P66-A68 VanDerWaalsContact C-N 3.35Å; P66-A68 PolarHBondContact O-N 2.96Å; A68-I71 PolarHBondContact O-N 3.13Å; A68-F72 VanDerWaalsContact O-CB 3.23Å; A68-F72 WeakPolarHBondContact O-CB 3.33Å; A68-F72 PolarHBondContact O-N 3.45Å; A68-A224 HydrophobicContact CB-CB 4.11Å |
| 69 | S | 93.9 | Very high | 92.1 | Very high | 45 Ų | 45 | 54.6 Ų | 54.6 | 32% | 0.315 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62 | -45.1 | 173.7 | -172.6 | 0 | 0 | 0 | 0 | 112.3 | L62 H65 P66 I71 F72 V73 | L62-S69 WeakPolarHBondContact O-CB 3.45Å; H65-S69 PolarHBondContact O-N 3.49Å; H65-S69 VanDerWaalsContact O-N 3.13Å; P66-S69 WeakPolarHBondContact O-CB 3.32Å; P66-S69 PolarHBondContact O-N 3Å; S69-I71 PolarHBondContact O-N 3.42Å; S69-F72 WeakPolarHBondContact O-CB 3.39Å; S69-F72 PolarHBondContact O-N 2.75Å; S69-V73 WeakPolarHBondContact O-CG2 3.26Å; S69-V73 PolarHBondContact O-N 2.87Å |
| 70 | L | 96.6 | Very high | 92.8 | Very high | 52 Ų | 52 | 51.8 Ų | 51.8 | 27% | 0.272 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 177.4 | -72 | 169.5 | 0 | 0 | 0 | 112 | P66 S67 F72 V73 G74 L106 A110 | P66-L70 WeakPolarHBondContact O-CG 3.22Å; P66-L70 PolarHBondContact O-N 3.47Å; S67-L70 PolarHBondContact O-N 2.84Å; L70-F72 VanDerWaalsContact C-N 3.35Å; L70-V73 PolarHBondContact O-N 3.2Å; L70-G74 PolarHBondContact O-N 2.81Å; L70-L106 HydrophobicContact CD2-CD2 3.72Å; L70-A110 HydrophobicContact CB-CB 3.82Å; L70-A110 HydrophobicContact CD1-CB 4.31Å |
| 71 | I | 97.1 | Very high | 93.4 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.1 | -42.7 | 174.9 | -70.7 | 165.9 | 0 | 0 | 0 | 110.7 | L54 S67 A68 S69 G74 L75 Y107 A110 I220 A224 | L54-I71 HydrophobicContact CD1-CG2 4.04Å; S67-I71 WeakPolarHBondContact O-CG1 3.36Å; S67-I71 PolarHBondContact O-N 3.49Å; A68-I71 PolarHBondContact O-N 3.13Å; S69-I71 PolarHBondContact O-N 3.42Å; I71-G74 PolarHBondContact O-N 3.42Å; I71-L75 HydrophobicContact CG2-CD1 4.41Å; I71-L75 WeakPolarHBondContact O-CG 3.39Å; I71-L75 PolarHBondContact O-N 2.91Å; I71-Y107 HydrophobicContact CB-CD1 4.48Å; I71-Y107 HydrophobicContact CB-CE1 4.31Å; I71-Y107 HydrophobicContact CG1-CD1 4.11Å; I71-Y107 HydrophobicContact CG1-CE1 4.4Å; I71-Y107 HydrophobicContact CG2-CE1 4.15Å; I71-Y107 WeakPolarHBondContact O-CE1 3.14Å; I71-A110 HydrophobicContact CD1-CB 4.08Å; I71-A110 HydrophobicContact CG1-CB 3.7Å; I71-I220 HydrophobicContact CD1-CG2 4.34Å; I71-I220 HydrophobicContact CG1-CG2 4.22Å; I71-I220 HydrophobicContact CG2-CG2 4.04Å; I71-A224 HydrophobicContact CD1-CB 3.79Å |
| 72 | F | 96.9 | Very high | 93.9 | Very high | 33 Ų | 33 | 40.9 Ų | 40.9 | 15% | 0.145 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.5 | -47.2 | 177.2 | 176.4 | -95.9 | 0 | 0 | 0 | 112.5 | W51 L54 L55 L62 A68 S69 L70 G74 L75 V76 | W51-F72 AromaticContact CD1-CD2 3.46Å; W51-F72 VanDerWaalsContact CD1-CD2 3.46Å; W51-F72 AromaticContact CD1-CE2 3.04Å; W51-F72 AromaticContact CD1-CZ 3.45Å; W51-F72 VanDerWaalsContact CD1-CZ 3.45Å; W51-F72 AromaticContact CD2-CE2 3.97Å; W51-F72 HydrophobicContact CD2-CE2 3.97Å; W51-F72 HydrophobicContact CD2-CZ 4.21Å; W51-F72 AromaticContact CE2-CE2 3.52Å; W51-F72 AromaticContact CE2-CZ 3.3Å; W51-F72 HydrophobicContact CG-CD2 4.26Å; W51-F72 AromaticContact CG-CE2 3.69Å; W51-F72 HydrophobicContact CG-CE2 3.69Å; W51-F72 HydrophobicContact CG-CZ 4.27Å; W51-F72 HydrophobicContact CZ2-CE2 4.3Å; W51-F72 AromaticContact CZ2-CZ 3.72Å; W51-F72 HydrophobicContact CZ2-CZ 3.72Å; W51-F72 AromaticContact NE1-CD2 3.75Å; W51-F72 AromaticContact NE1-CE1 3.38Å; W51-F72 AromaticContact NE1-CE2 2.96Å; W51-F72 AromaticContact NE1-CZ 2.8Å; L54-F72 HydrophobicContact CB-CD2 4.11Å; L54-F72 HydrophobicContact CD1-CB 4.06Å; L54-F72 HydrophobicContact CD1-CD2 4.38Å; L55-F72 HydrophobicContact CD1-CE2 3.88Å; L55-F72 HydrophobicContact CD1-CZ 4.06Å; L55-F72 HydrophobicContact CD2-CE2 3.88Å; L55-F72 HydrophobicContact CD2-CZ 3.87Å; L55-F72 HydrophobicContact CG-CE2 3.55Å; L55-F72 HydrophobicContact CG-CZ 3.97Å; L62-F72 HydrophobicContact CD1-CD1 4.33Å; L62-F72 HydrophobicContact CD1-CD2 3.88Å; L62-F72 HydrophobicContact CD1-CE1 4.38Å; L62-F72 HydrophobicContact CD1-CE2 3.95Å; L62-F72 HydrophobicContact CD1-CG 4.04Å; L62-F72 HydrophobicContact CD1-CZ 4.14Å; L62-F72 HydrophobicContact CD2-CB 4.25Å; L62-F72 HydrophobicContact CD2-CG 4.49Å; A68-F72 VanDerWaalsContact O-CB 3.23Å; A68-F72 WeakPolarHBondContact O-CB 3.33Å; A68-F72 PolarHBondContact O-N 3.45Å; S69-F72 WeakPolarHBondContact O-CB 3.39Å; S69-F72 PolarHBondContact O-N 2.75Å; L70-F72 VanDerWaalsContact C-N 3.35Å; F72-G74 VanDerWaalsContact C-N 3.35Å; F72-L75 PolarHBondContact O-N 3.46Å; F72-V76 PolarHBondContact O-N 3.47Å |
| 73 | V | 97.8 | Very high | 94.5 | Very high | 55 Ų | 55 | 41.5 Ų | 41.5 | 33% | 0.333 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.1 | -39.4 | 175.6 | 178.3 | 0 | 0 | 0 | 0 | 110.7 | S69 L70 L75 V76 F77 L106 | S69-V73 WeakPolarHBondContact O-CG2 3.26Å; S69-V73 PolarHBondContact O-N 2.87Å; L70-V73 PolarHBondContact O-N 3.2Å; V73-L75 VanDerWaalsContact C-N 3.32Å; V73-L75 PolarHBondContact O-N 3.37Å; V73-V76 WeakPolarHBondContact O-CB 3.24Å; V73-V76 PolarHBondContact O-N 3.36Å; V73-V76 VanDerWaalsContact O-N 3.09Å; V73-F77 HydrophobicContact CG1-CD2 3.91Å; V73-F77 HydrophobicContact CG1-CE2 3.77Å; V73-F77 WeakPolarHBondContact O-CD2 3.44Å; V73-F77 PolarHBondContact O-N 3.05Å; V73-F77 VanDerWaalsContact O-N 3.16Å; V73-L106 HydrophobicContact CB-CD1 4.26Å; V73-L106 HydrophobicContact CG1-CD1 3.77Å |
| 74 | G | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.5 | -38.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L70 I71 F72 V76 F77 S78 T103 | L70-G74 PolarHBondContact O-N 2.81Å; I71-G74 PolarHBondContact O-N 3.42Å; F72-G74 VanDerWaalsContact C-N 3.35Å; G74-V76 VanDerWaalsContact C-N 3.28Å; G74-V76 PolarHBondContact O-N 3.05Å; G74-F77 PolarHBondContact O-N 3.45Å; G74-S78 WeakPolarHBondContact O-CB 3.21Å; G74-S78 PolarHBondContact O-N 3.32Å; G74-T103 WeakPolarHBondContact O-CG2 3.42Å; G74-T103 PolarHBondContact O-OG1 3.45Å |
| 75 | L | 98.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.3 | -36.9 | 173.7 | -73 | 166.9 | 0 | 0 | 0 | 112.2 | I47 L50 L54 I71 F72 V73 S78 A79 Y107 Q217 A221 | I47-L75 HydrophobicContact CG2-CB 4.13Å; I47-L75 HydrophobicContact CG2-CD2 3.9Å; I47-L75 VanDerWaalsContact CG2-O 3.24Å; I47-L75 WeakPolarHBondContact CG2-O 3.36Å; L50-L75 HydrophobicContact CB-CD1 4.1Å; L50-L75 HydrophobicContact CB-CD2 4.24Å; L50-L75 HydrophobicContact CD1-CD2 4.28Å; L54-L75 HydrophobicContact CD1-CD1 3.71Å; I71-L75 HydrophobicContact CG2-CD1 4.41Å; I71-L75 WeakPolarHBondContact O-CG 3.39Å; I71-L75 PolarHBondContact O-N 2.91Å; F72-L75 PolarHBondContact O-N 3.46Å; V73-L75 VanDerWaalsContact C-N 3.32Å; V73-L75 PolarHBondContact O-N 3.37Å; L75-S78 PolarHBondContact O-N 2.97Å; L75-A79 WeakPolarHBondContact O-CB 3.21Å; L75-A79 PolarHBondContact O-N 3.37Å; L75-Y107 WeakPolarHBondContact CD2-OH 3.33Å; L75-Y107 PolarHBondContact N-OH 3.44Å; L75-Q217 HydrophobicContact CD2-CB 4.49Å; L75-A221 HydrophobicContact CD1-CB 4.45Å |
| 76 | V | 97.9 | Very high | 96 | Very high | 65 Ų | 65 | 32.5 Ų | 32.5 | 39% | 0.394 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.5 | -50.1 | 175.4 | 178 | 0 | 0 | 0 | 0 | 110.4 | F72 V73 G74 S78 A79 V80 | F72-V76 PolarHBondContact O-N 3.47Å; V73-V76 WeakPolarHBondContact O-CB 3.24Å; V73-V76 PolarHBondContact O-N 3.36Å; V73-V76 VanDerWaalsContact O-N 3.09Å; G74-V76 VanDerWaalsContact C-N 3.28Å; G74-V76 PolarHBondContact O-N 3.05Å; V76-S78 VanDerWaalsContact C-N 3.29Å; V76-S78 PolarHBondContact O-N 3.31Å; V76-A79 PolarHBondContact O-N 3.06Å; V76-V80 WeakPolarHBondContact O-CG2 3.17Å; V76-V80 PolarHBondContact O-N 3.4Å |
| 77 | F | 98.4 | Very high | 96.4 | Very high | 67 Ų | 67 | 30.2 Ų | 30.2 | 29% | 0.294 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -61.4 | -38.5 | 176.9 | -81.2 | -80 | 0 | 0 | 0 | 112.2 | V73 G74 A79 V80 G81 M99 V102 T103 L106 | V73-F77 HydrophobicContact CG1-CD2 3.91Å; V73-F77 HydrophobicContact CG1-CE2 3.77Å; V73-F77 WeakPolarHBondContact O-CD2 3.44Å; V73-F77 PolarHBondContact O-N 3.05Å; V73-F77 VanDerWaalsContact O-N 3.16Å; G74-F77 PolarHBondContact O-N 3.45Å; F77-A79 PolarHBondContact O-N 3.22Å; F77-V80 PolarHBondContact O-N 3.1Å; F77-G81 PolarHBondContact O-N 3.37Å; F77-M99 HydrophobicContact CD1-SD 3.62Å; F77-M99 HydrophobicContact CE1-SD 3.98Å; F77-V102 HydrophobicContact CB-CG1 4.5Å; F77-V102 HydrophobicContact CD1-CB 4.13Å; F77-V102 HydrophobicContact CD1-CG1 3.82Å; F77-V102 HydrophobicContact CD2-CG1 3.87Å; F77-V102 HydrophobicContact CE1-CG1 3.94Å; F77-V102 HydrophobicContact CE2-CG1 3.98Å; F77-V102 HydrophobicContact CG-CB 4.32Å; F77-V102 HydrophobicContact CG-CG1 3.79Å; F77-V102 HydrophobicContact CZ-CG1 4.02Å; F77-T103 WeakPolarHBondContact CB-OG1 3.45Å; F77-L106 HydrophobicContact CD2-CD1 3.78Å; F77-L106 HydrophobicContact CE2-CD1 4.25Å |
| 78 | S | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.3 | -43 | 175.1 | -160.7 | 0 | 0 | 0 | 0 | 112.2 | G74 L75 V76 G81 D82 F100 T103 Y213 Q217 | G74-S78 WeakPolarHBondContact O-CB 3.21Å; G74-S78 PolarHBondContact O-N 3.32Å; L75-S78 PolarHBondContact O-N 2.97Å; V76-S78 VanDerWaalsContact C-N 3.29Å; V76-S78 PolarHBondContact O-N 3.31Å; S78-G81 PolarHBondContact O-N 3.01Å; S78-D82 PolarHBondContact O-N 2.9Å; S78-F100 VanDerWaalsContact OG-CE1 3.26Å; S78-F100 WeakPolarHBondContact OG-CE1 3.45Å; S78-T103 PolarHBondContact N-OG1 3.43Å; S78-T103 VanDerWaalsContact N-OG1 3.13Å; S78-Y213 PolarHBondContact OG-OH 2.91Å; S78-Q217 PolarHBondContact OG-NE2 2.88Å |
| 79 | A | 98 | Very high | 96.4 | Very high | 22 Ų | 22 | 35.9 Ų | 35.9 | 18% | 0.182 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.3 | -38 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | C44 I47 L75 V76 F77 D82 A83 | C44-A79 HydrophobicContact CB-CB 4.41Å; C44-A79 PolarHBondContact SG-O 2.99Å; I47-A79 HydrophobicContact CB-CB 4.24Å; I47-A79 HydrophobicContact CG2-CB 3.95Å; L75-A79 WeakPolarHBondContact O-CB 3.21Å; L75-A79 PolarHBondContact O-N 3.37Å; V76-A79 PolarHBondContact O-N 3.06Å; F77-A79 PolarHBondContact O-N 3.22Å; A79-D82 WeakPolarHBondContact O-CB 3.4Å; A79-D82 PolarHBondContact O-N 2.78Å; A79-A83 PolarHBondContact O-N 3.32Å; A79-A83 VanDerWaalsContact O-N 3.14Å |
| 80 | V | 97.9 | Very high | 96.2 | Very high | 58 Ų | 58 | 39.7 Ų | 39.7 | 35% | 0.352 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.7 | -41.1 | 173.6 | 179.7 | 0 | 0 | 0 | 0 | 110.7 | V76 F77 D82 A83 F84 M99 | V76-V80 WeakPolarHBondContact O-CG2 3.17Å; V76-V80 PolarHBondContact O-N 3.4Å; F77-V80 PolarHBondContact O-N 3.1Å; V80-D82 VanDerWaalsContact C-N 3.32Å; V80-D82 PolarHBondContact O-N 3.2Å; V80-A83 WeakPolarHBondContact O-CB 3.49Å; V80-A83 PolarHBondContact O-N 3.48Å; V80-F84 HydrophobicContact CG1-CD2 4.04Å; V80-F84 HydrophobicContact CG1-CE2 3.62Å; V80-F84 HydrophobicContact CG1-CZ 4.26Å; V80-F84 WeakPolarHBondContact O-CD2 3.38Å; V80-F84 PolarHBondContact O-N 2.89Å; V80-M99 HydrophobicContact CB-CG 4.34Å; V80-M99 HydrophobicContact CB-SD 4.48Å; V80-M99 HydrophobicContact CG1-CG 3.91Å; V80-M99 HydrophobicContact CG1-SD 3.98Å |
| 81 | G | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.6 | -43 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | F77 S78 A83 F84 L85 | F77-G81 PolarHBondContact O-N 3.37Å; S78-G81 PolarHBondContact O-N 3.01Å; G81-A83 VanDerWaalsContact C-N 3.32Å; G81-A83 PolarHBondContact O-N 3.36Å; G81-F84 PolarHBondContact O-N 3.13Å; G81-L85 WeakPolarHBondContact O-CG 3.48Å; G81-L85 PolarHBondContact O-N 3.49Å |
| 82 | D | 97.1 | Very high | 95.8 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.8 | -42.5 | 175.2 | -86.3 | -34.5 | 0 | 0 | 0 | 112.9 | K43 S78 A79 V80 L85 I86 Y213 | K43-D82 HydrophobicContact CD-CB 4.27Å; K43-D82 WeakPolarHBondContact CE-OD1 3.06Å; K43-D82 HydrophobicContact CG-CB 4.31Å; K43-D82 PolarHBondContact NZ-O 3.18Å; K43-D82 IonicContact NZ-OD1 3.35Å; K43-D82 PolarHBondContact NZ-OD1 3.35Å; S78-D82 PolarHBondContact O-N 2.9Å; A79-D82 WeakPolarHBondContact O-CB 3.4Å; A79-D82 PolarHBondContact O-N 2.78Å; V80-D82 VanDerWaalsContact C-N 3.32Å; V80-D82 PolarHBondContact O-N 3.2Å; D82-L85 PolarHBondContact O-N 3.46Å; D82-I86 PolarHBondContact O-N 2.96Å; D82-Y213 VanDerWaalsContact CG-OH 3.3Å; D82-Y213 WeakPolarHBondContact OD2-CE1 3.23Å; D82-Y213 VanDerWaalsContact OD2-CZ 3.26Å; D82-Y213 PolarHBondContact OD2-OH 2.97Å |
| 83 | A | 96.9 | Very high | 95.6 | Very high | 24 Ų | 24 | 43.5 Ų | 43.5 | 20% | 0.198 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63 | -48 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | A40 A79 V80 G81 L85 I86 W87 | A40-A83 HydrophobicContact CB-CB 4.45Å; A79-A83 PolarHBondContact O-N 3.32Å; A79-A83 VanDerWaalsContact O-N 3.14Å; V80-A83 WeakPolarHBondContact O-CB 3.49Å; V80-A83 PolarHBondContact O-N 3.48Å; G81-A83 VanDerWaalsContact C-N 3.32Å; G81-A83 PolarHBondContact O-N 3.36Å; A83-L85 VanDerWaalsContact C-N 3.29Å; A83-L85 PolarHBondContact O-N 3.48Å; A83-I86 WeakPolarHBondContact O-CB 3.42Å; A83-I86 PolarHBondContact O-N 2.48Å; A83-I86 VanDerWaalsContact O-N 3.1Å; A83-W87 WeakPolarHBondContact O-CZ3 3.5Å |
| 84 | F | 97.1 | Very high | 95.5 | Very high | 57 Ų | 57 | 45.3 Ų | 45.3 | 25% | 0.25 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.5 | -37.2 | 176 | -72.8 | -44.4 | 0 | 0 | 0 | 113.1 | V80 G81 I86 W87 Q88 Y92 M99 | V80-F84 HydrophobicContact CG1-CD2 4.04Å; V80-F84 HydrophobicContact CG1-CE2 3.62Å; V80-F84 HydrophobicContact CG1-CZ 4.26Å; V80-F84 WeakPolarHBondContact O-CD2 3.38Å; V80-F84 PolarHBondContact O-N 2.89Å; G81-F84 PolarHBondContact O-N 3.13Å; F84-I86 PolarHBondContact O-N 2.88Å; F84-W87 CarbonylContact O-C 3.52Å; F84-W87 PolarHBondContact O-N 3.35Å; F84-Q88 PolarHBondContact O-N 3.26Å; F84-Y92 AromaticContact CD1-CD1 3.58Å; F84-Y92 HydrophobicContact CD1-CD1 3.58Å; F84-Y92 HydrophobicContact CD1-CE1 4.3Å; F84-Y92 HydrophobicContact CD1-CG 4.36Å; F84-Y92 AromaticContact CE1-CD1 3.93Å; F84-Y92 HydrophobicContact CE1-CD1 3.93Å; F84-Y92 HydrophobicContact CE1-CE1 4.26Å; F84-Y92 WeakPolarHBondContact O-CB 3.35Å; F84-M99 HydrophobicContact CD2-CG 3.76Å; F84-M99 HydrophobicContact CE2-CG 3.74Å; F84-M99 HydrophobicContact CE2-SD 4.37Å |
| 85 | L | 94.9 | Very high | 95.5 | Very high | 11 Ų | 11 | 51.5 Ų | 51.5 | 6% | 0.058 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.7 | -16.1 | 177.4 | -74.7 | -172.8 | 0 | 0 | 0 | 114.2 | G81 D82 A83 W87 Q88 F93 F100 I193 | G81-L85 WeakPolarHBondContact O-CG 3.48Å; G81-L85 PolarHBondContact O-N 3.49Å; D82-L85 PolarHBondContact O-N 3.46Å; A83-L85 VanDerWaalsContact C-N 3.29Å; A83-L85 PolarHBondContact O-N 3.48Å; L85-W87 VanDerWaalsContact C-N 3.33Å; L85-Q88 HydrophobicContact CD2-CB 4.41Å; L85-Q88 WeakPolarHBondContact O-CB 3.48Å; L85-Q88 WeakPolarHBondContact O-CG 3.37Å; L85-Q88 PolarHBondContact O-NE2 3.49Å; L85-F93 HydrophobicContact CD2-CD2 3.8Å; L85-F93 HydrophobicContact CD2-CE2 4.18Å; L85-F100 HydrophobicContact CD1-CD2 4.33Å; L85-F100 HydrophobicContact CD1-CE2 3.52Å; L85-F100 HydrophobicContact CD1-CZ 4.26Å; L85-F100 HydrophobicContact CG-CE2 4.07Å; L85-I193 HydrophobicContact CD1-CD1 4.38Å |
| 86 | I | 95.4 | Very high | 95.4 | Very high | 33 Ų | 33 | 51.5 Ų | 51.5 | 17% | 0.169 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.3 | -38.3 | 170.1 | -68.5 | -63.1 | 0 | 0 | 0 | 110.9 | P35 S39 A40 K43 D82 A83 F84 | P35-I86 HydrophobicContact CB-CG2 3.61Å; P35-I86 WeakPolarHBondContact CB-O 3.18Å; S39-I86 WeakPolarHBondContact OG-CG2 3.43Å; A40-I86 HydrophobicContact CB-CB 4.48Å; A40-I86 HydrophobicContact CB-CG1 3.99Å; K43-I86 HydrophobicContact CB-CD1 4.29Å; K43-I86 HydrophobicContact CD-CD1 3.62Å; K43-I86 HydrophobicContact CD-CG1 4.13Å; D82-I86 PolarHBondContact O-N 2.96Å; A83-I86 WeakPolarHBondContact O-CB 3.42Å; A83-I86 PolarHBondContact O-N 2.48Å; A83-I86 VanDerWaalsContact O-N 3.1Å; F84-I86 PolarHBondContact O-N 2.88Å |
| 87 | W | 94.7 | Very high | 95.3 | Very high | 45 Ų | 45 | 49.4 Ų | 49.4 | 17% | 0.17 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 25.4 | 178.8 | -68.4 | -90.3 | 0 | 0 | 0 | 112.7 | P35 W37 A40 A83 F84 L85 D89 H90 Y92 | P35-W87 HydrophobicContact CB-CD2 4.39Å; P35-W87 HydrophobicContact CB-CG 4.18Å; W37-W87 AromaticContact CD2-CH2 3.91Å; W37-W87 HydrophobicContact CD2-CH2 3.91Å; W37-W87 HydrophobicContact CD2-CZ2 4.24Å; W37-W87 AromaticContact CE3-CH2 3.7Å; W37-W87 HydrophobicContact CE3-CH2 3.7Å; W37-W87 HydrophobicContact CE3-CZ2 4.46Å; W37-W87 HydrophobicContact CE3-CZ3 4.43Å; W37-W87 HydrophobicContact CG-CH2 4.44Å; W37-W87 HydrophobicContact CZ3-CH2 4.02Å; W37-W87 HydrophobicContact CZ3-CZ3 4.4Å; A40-W87 HydrophobicContact CB-CH2 3.78Å; A40-W87 HydrophobicContact CB-CZ3 3.7Å; A83-W87 WeakPolarHBondContact O-CZ3 3.5Å; F84-W87 CarbonylContact O-C 3.52Å; F84-W87 PolarHBondContact O-N 3.35Å; L85-W87 VanDerWaalsContact C-N 3.33Å; W87-D89 PolarHBondContact O-N 3.38Å; W87-D89 VanDerWaalsContact O-N 3.13Å; W87-H90 HydrophobicContact CB-CB 4.37Å; W87-H90 WeakPolarHBondContact O-CA 3.24Å; W87-H90 WeakPolarHBondContact O-CB 3.37Å; W87-H90 PolarHBondContact O-N 3.37Å; W87-Y92 HydrophobicContact CB-CD2 3.61Å; W87-Y92 HydrophobicContact CB-CE2 4.32Å; W87-Y92 HydrophobicContact CB-CG 4.09Å; W87-Y92 PolarHBondContact O-N 3.11Å |
| 88 | Q | 92.4 | Very high | 95.3 | Very high | 56 Ų | 56 | 51 Ų | 51 | 26% | 0.262 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -56.9 | -32.7 | -176 | 65.4 | -177.8 | -75.3 | 0 | 0 | 113.9 | F84 L85 H90 G91 F93 | F84-Q88 PolarHBondContact O-N 3.26Å; L85-Q88 HydrophobicContact CD2-CB 4.41Å; L85-Q88 WeakPolarHBondContact O-CB 3.48Å; L85-Q88 WeakPolarHBondContact O-CG 3.37Å; L85-Q88 PolarHBondContact O-NE2 3.49Å; Q88-H90 PolarHBondContact O-N 3.44Å; Q88-G91 PolarHBondContact O-N 2.9Å; Q88-F93 HydrophobicContact CB-CB 4.07Å; Q88-F93 HydrophobicContact CB-CD2 4.22Å |
| 89 | D | 88.7 | Confident | 95.3 | Very high | 122 Ų | 122 | 52.5 Ų | 52.5 | 65% | 0.652 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -78.8 | -10.4 | 179 | -58.8 | -37.4 | 0 | 0 | 0 | 112.9 | W87 G91 K197 | W87-D89 PolarHBondContact O-N 3.38Å; W87-D89 VanDerWaalsContact O-N 3.13Å; D89-G91 VanDerWaalsContact C-N 3.34Å; D89-K197 IonicContact OD1-NZ 3.8Å; D89-K197 PolarHBondContact OD1-NZ 3.36Å |
| 90 | H | 90.3 | Very high | 95.3 | Very high | 126 Ų | 126 | 51.9 Ų | 51.9 | 58% | 0.583 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -96.8 | 17.7 | 173 | -60.5 | 75.7 | 0 | 0 | 0 | 112 | W87 Q88 Y92 | W87-H90 HydrophobicContact CB-CB 4.37Å; W87-H90 WeakPolarHBondContact O-CA 3.24Å; W87-H90 WeakPolarHBondContact O-CB 3.37Å; W87-H90 PolarHBondContact O-N 3.37Å; Q88-H90 PolarHBondContact O-N 3.44Å; H90-Y92 HydrophobicContact CB-CD2 4.2Å; H90-Y92 HydrophobicContact CB-CE2 4.48Å |
| 91 | G | 90.3 | Very high | 95.3 | Very high | 51 Ų | 51 | 49.7 Ų | 49.7 | 53% | 0.526 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | 3.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q88 D89 F93 | Q88-G91 PolarHBondContact O-N 2.9Å; D89-G91 VanDerWaalsContact C-N 3.34Å; G91-F93 VanDerWaalsContact C-N 3.28Å; G91-F93 PolarHBondContact O-N 3.21Å |
| 92 | Y | 94.3 | Very high | 95.4 | Very high | 103 Ų | 103 | 51.7 Ų | 51.7 | 40% | 0.404 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -1 | -178.7 | -72.4 | -91.1 | 0 | 0 | 0 | 115.2 | F84 W87 H90 E94 Y95 G96 | F84-Y92 AromaticContact CD1-CD1 3.58Å; F84-Y92 HydrophobicContact CD1-CD1 3.58Å; F84-Y92 HydrophobicContact CD1-CE1 4.3Å; F84-Y92 HydrophobicContact CD1-CG 4.36Å; F84-Y92 AromaticContact CE1-CD1 3.93Å; F84-Y92 HydrophobicContact CE1-CD1 3.93Å; F84-Y92 HydrophobicContact CE1-CE1 4.26Å; F84-Y92 WeakPolarHBondContact O-CB 3.35Å; W87-Y92 HydrophobicContact CB-CD2 3.61Å; W87-Y92 HydrophobicContact CB-CE2 4.32Å; W87-Y92 HydrophobicContact CB-CG 4.09Å; W87-Y92 PolarHBondContact O-N 3.11Å; H90-Y92 HydrophobicContact CB-CD2 4.2Å; H90-Y92 HydrophobicContact CB-CE2 4.48Å; Y92-E94 VanDerWaalsContact C-N 3.3Å; Y92-E94 PolarHBondContact O-N 2.97Å; Y92-Y95 AromaticContact CD1-CD2 3.84Å; Y92-Y95 HydrophobicContact CD1-CD2 3.84Å; Y92-Y95 HydrophobicContact CD1-CE2 4.41Å; Y92-Y95 HydrophobicContact CG-CD2 4.48Å; Y92-Y95 PolarHBondContact O-N 3.16Å; Y92-G96 PolarHBondContact O-N 3.43Å |
| 93 | F | 94.4 | Very high | 95.5 | Very high | 14 Ų | 14 | 51.5 Ų | 51.5 | 6% | 0.061 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.1 | -42.3 | -177.6 | -178.5 | -99.5 | 0 | 0 | 0 | 112.6 | L85 Q88 G91 Y95 G96 L97 F143 I193 K197 F198 | L85-F93 HydrophobicContact CD2-CD2 3.8Å; L85-F93 HydrophobicContact CD2-CE2 4.18Å; Q88-F93 HydrophobicContact CB-CB 4.07Å; Q88-F93 HydrophobicContact CB-CD2 4.22Å; G91-F93 VanDerWaalsContact C-N 3.28Å; G91-F93 PolarHBondContact O-N 3.21Å; F93-Y95 PolarHBondContact O-N 2.82Å; F93-G96 PolarHBondContact O-N 2.88Å; F93-L97 WeakPolarHBondContact O-CB 3.35Å; F93-L97 PolarHBondContact O-N 2.94Å; F93-F143 AromaticContact CD1-CE1 3.77Å; F93-F143 HydrophobicContact CD1-CE1 3.77Å; F93-F143 HydrophobicContact CD1-CZ 4.3Å; F93-F143 HydrophobicContact CE1-CE1 4.02Å; F93-I193 HydrophobicContact CE2-CG2 4.11Å; F93-K197 HydrophobicContact CE2-CG 4.49Å; F93-K197 HydrophobicContact CZ-CG 4.46Å; F93-F198 HydrophobicContact CE1-CE2 4.17Å; F93-F198 AromaticContact CE1-CZ 3.81Å; F93-F198 HydrophobicContact CE1-CZ 3.81Å; F93-F198 HydrophobicContact CZ-CE2 4.12Å; F93-F198 HydrophobicContact CZ-CZ 4.18Å |
| 94 | E | 95.5 | Very high | 95.5 | Very high | 93 Ų | 93 | 50.4 Ų | 50.4 | 44% | 0.435 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.8 | -39.8 | -179.8 | -64.7 | 176.8 | -163.4 | 0 | 0 | 112.4 | Y92 L97 L98 F143 L146 | Y92-E94 VanDerWaalsContact C-N 3.3Å; Y92-E94 PolarHBondContact O-N 2.97Å; E94-L97 WeakPolarHBondContact O-CB 3.46Å; E94-L97 PolarHBondContact O-N 3.12Å; E94-L98 WeakPolarHBondContact O-CB 3.45Å; E94-L98 PolarHBondContact O-N 3.38Å; E94-F143 HydrophobicContact CG-CE1 3.82Å; E94-F143 HydrophobicContact CG-CZ 3.86Å; E94-F143 WeakPolarHBondContact OE1-CZ 3.26Å; E94-L146 HydrophobicContact CG-CD1 4.47Å |
| 95 | Y | 96.9 | Very high | 95.6 | Very high | 131 Ų | 131 | 51.7 Ų | 51.7 | 51% | 0.514 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.1 | -39.7 | 175.2 | -59.1 | -74.2 | 0 | 0 | 0 | 111.4 | Y92 F93 L98 M99 | Y92-Y95 AromaticContact CD1-CD2 3.84Å; Y92-Y95 HydrophobicContact CD1-CD2 3.84Å; Y92-Y95 HydrophobicContact CD1-CE2 4.41Å; Y92-Y95 HydrophobicContact CG-CD2 4.48Å; Y92-Y95 PolarHBondContact O-N 3.16Å; F93-Y95 PolarHBondContact O-N 2.82Å; Y95-L98 PolarHBondContact O-N 3.24Å; Y95-M99 VanDerWaalsContact O-CG 3.31Å; Y95-M99 WeakPolarHBondContact O-CG 3.16Å; Y95-M99 PolarHBondContact O-N 2.86Å |
| 96 | G | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.5 | -50.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y92 F93 L98 M99 F100 | Y92-G96 PolarHBondContact O-N 3.43Å; F93-G96 PolarHBondContact O-N 2.88Å; G96-L98 VanDerWaalsContact C-N 3.3Å; G96-L98 PolarHBondContact O-N 3.36Å; G96-M99 PolarHBondContact O-N 2.95Å; G96-F100 WeakPolarHBondContact O-CD2 3.13Å; G96-F100 PolarHBondContact O-N 3.23Å |
| 97 | L | 96.4 | Very high | 95.9 | Very high | 22 Ų | 22 | 51 Ų | 51 | 12% | 0.115 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.2 | -42.7 | 177.3 | -168.3 | 73.1 | 0 | 0 | 0 | 112 | F93 E94 F100 A101 L146 Y150 | F93-L97 WeakPolarHBondContact O-CB 3.35Å; F93-L97 PolarHBondContact O-N 2.94Å; E94-L97 WeakPolarHBondContact O-CB 3.46Å; E94-L97 PolarHBondContact O-N 3.12Å; L97-F100 PolarHBondContact O-N 2.95Å; L97-A101 WeakPolarHBondContact O-CB 3.34Å; L97-A101 PolarHBondContact O-N 3.35Å; L97-L146 HydrophobicContact CD2-CB 4.18Å; L97-Y150 HydrophobicContact CD1-CD1 3.92Å; L97-Y150 HydrophobicContact CD1-CD2 3.29Å; L97-Y150 HydrophobicContact CD1-CE1 4.09Å; L97-Y150 HydrophobicContact CD1-CE2 3.49Å; L97-Y150 VanDerWaalsContact CD1-CE2 3.49Å; L97-Y150 HydrophobicContact CD1-CG 3.5Å; L97-Y150 VanDerWaalsContact CD1-CG 3.5Å; L97-Y150 HydrophobicContact CG-CD2 3.59Å; L97-Y150 HydrophobicContact CG-CE2 4.02Å; L97-Y150 HydrophobicContact CG-CG 4.09Å; L97-Y150 WeakPolarHBondContact O-CE2 3.5Å |
| 98 | L | 97.4 | Very high | 96 | Very high | 99 Ų | 99 | 49 Ų | 49 | 52% | 0.518 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.5 | -43.7 | 177.5 | -177.1 | 64.4 | 0 | 0 | 0 | 112.2 | E94 Y95 G96 F100 A101 V102 | E94-L98 WeakPolarHBondContact O-CB 3.45Å; E94-L98 PolarHBondContact O-N 3.38Å; Y95-L98 PolarHBondContact O-N 3.24Å; G96-L98 VanDerWaalsContact C-N 3.3Å; G96-L98 PolarHBondContact O-N 3.36Å; L98-F100 VanDerWaalsContact C-N 3.34Å; L98-F100 PolarHBondContact O-N 3.29Å; L98-A101 WeakPolarHBondContact O-CB 3.47Å; L98-A101 PolarHBondContact O-N 3.39Å; L98-V102 WeakPolarHBondContact O-CG2 3.46Å; L98-V102 PolarHBondContact O-N 3.15Å |
| 99 | M | 98.4 | Very high | 96.2 | Very high | 33 Ų | 33 | 49.4 Ų | 49.4 | 16% | 0.163 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.8 | -38.9 | 177.9 | -64.9 | -60.6 | 99.4 | 0 | 0 | 111.8 | F77 V80 F84 Y95 G96 V102 T103 | F77-M99 HydrophobicContact CD1-SD 3.62Å; F77-M99 HydrophobicContact CE1-SD 3.98Å; V80-M99 HydrophobicContact CB-CG 4.34Å; V80-M99 HydrophobicContact CB-SD 4.48Å; V80-M99 HydrophobicContact CG1-CG 3.91Å; V80-M99 HydrophobicContact CG1-SD 3.98Å; F84-M99 HydrophobicContact CD2-CG 3.76Å; F84-M99 HydrophobicContact CE2-CG 3.74Å; F84-M99 HydrophobicContact CE2-SD 4.37Å; Y95-M99 VanDerWaalsContact O-CG 3.31Å; Y95-M99 WeakPolarHBondContact O-CG 3.16Å; Y95-M99 PolarHBondContact O-N 2.86Å; G96-M99 PolarHBondContact O-N 2.95Å; M99-V102 PolarHBondContact O-N 3Å; M99-T103 PolarHBondContact O-N 3.13Å; M99-T103 PolarHBondContact O-OG1 3.29Å |
| 100 | F | 98.3 | Very high | 96.5 | Very high | 8 Ų | 8 | 43.9 Ų | 43.9 | 4% | 0.035 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.1 | -35.5 | 172.8 | -75.1 | -69.5 | 0 | 0 | 0 | 112.6 | S78 L85 G96 L97 L98 V102 T103 H104 Y150 F186 Y213 | S78-F100 VanDerWaalsContact OG-CE1 3.26Å; S78-F100 WeakPolarHBondContact OG-CE1 3.45Å; L85-F100 HydrophobicContact CD1-CD2 4.33Å; L85-F100 HydrophobicContact CD1-CE2 3.52Å; L85-F100 HydrophobicContact CD1-CZ 4.26Å; L85-F100 HydrophobicContact CG-CE2 4.07Å; G96-F100 WeakPolarHBondContact O-CD2 3.13Å; G96-F100 PolarHBondContact O-N 3.23Å; L97-F100 PolarHBondContact O-N 2.95Å; L98-F100 VanDerWaalsContact C-N 3.34Å; L98-F100 PolarHBondContact O-N 3.29Å; F100-V102 VanDerWaalsContact C-N 3.33Å; F100-V102 PolarHBondContact O-N 3.36Å; F100-T103 WeakPolarHBondContact O-CA 3.4Å; F100-T103 VanDerWaalsContact O-CB 3.25Å; F100-T103 WeakPolarHBondContact O-CB 3.26Å; F100-T103 PolarHBondContact O-N 3.07Å; F100-T103 VanDerWaalsContact O-N 3.1Å; F100-H104 PolarHBondContact O-CD2 2.94Å; F100-H104 VanDerWaalsContact O-CG 3.3Å; F100-H104 PolarHBondContact O-N 2.9Å; F100-Y150 HydrophobicContact CB-CE2 3.84Å; F100-Y150 WeakPolarHBondContact CB-OH 3.25Å; F100-F186 HydrophobicContact CD1-CE1 4.11Å; F100-F186 AromaticContact CD1-CZ 3.72Å; F100-F186 HydrophobicContact CD1-CZ 3.72Å; F100-F186 HydrophobicContact CE1-CE1 4.33Å; F100-F186 AromaticContact CE1-CZ 3.89Å; F100-F186 HydrophobicContact CE1-CZ 3.89Å; F100-Y213 AromaticContact CE1-CE2 3.87Å; F100-Y213 HydrophobicContact CE1-CE2 3.87Å; F100-Y213 HydrophobicContact CZ-CE2 4.44Å |
| 101 | A | 98.3 | Very high | 96.7 | Very high | 12 Ų | 12 | 39.7 Ų | 39.7 | 10% | 0.099 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.3 | -44.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L97 L98 T103 H104 I105 Y150 L153 | L97-A101 WeakPolarHBondContact O-CB 3.34Å; L97-A101 PolarHBondContact O-N 3.35Å; L98-A101 WeakPolarHBondContact O-CB 3.47Å; L98-A101 PolarHBondContact O-N 3.39Å; A101-T103 VanDerWaalsContact C-N 3.33Å; A101-T103 PolarHBondContact O-N 2.87Å; A101-H104 PolarHBondContact O-N 3.49Å; A101-I105 WeakPolarHBondContact O-CG1 3.36Å; A101-I105 PolarHBondContact O-N 3.44Å; A101-I105 VanDerWaalsContact O-N 3.09Å; A101-Y150 HydrophobicContact CB-CD2 4.06Å; A101-Y150 HydrophobicContact CB-CE2 4.27Å; A101-L153 HydrophobicContact CB-CD1 3.78Å |
| 102 | V | 98.7 | Very high | 96.7 | Very high | 42 Ų | 42 | 38.4 Ų | 38.4 | 26% | 0.255 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.4 | -42.6 | 173.2 | 175.9 | 0 | 0 | 0 | 0 | 110.8 | F77 L98 M99 F100 H104 I105 L106 | F77-V102 HydrophobicContact CB-CG1 4.5Å; F77-V102 HydrophobicContact CD1-CB 4.13Å; F77-V102 HydrophobicContact CD1-CG1 3.82Å; F77-V102 HydrophobicContact CD2-CG1 3.87Å; F77-V102 HydrophobicContact CE1-CG1 3.94Å; F77-V102 HydrophobicContact CE2-CG1 3.98Å; F77-V102 HydrophobicContact CG-CB 4.32Å; F77-V102 HydrophobicContact CG-CG1 3.79Å; F77-V102 HydrophobicContact CZ-CG1 4.02Å; L98-V102 WeakPolarHBondContact O-CG2 3.46Å; L98-V102 PolarHBondContact O-N 3.15Å; M99-V102 PolarHBondContact O-N 3Å; F100-V102 VanDerWaalsContact C-N 3.33Å; F100-V102 PolarHBondContact O-N 3.36Å; V102-H104 VanDerWaalsContact C-N 3.34Å; V102-H104 PolarHBondContact O-N 3.35Å; V102-I105 PolarHBondContact O-N 3.15Å; V102-L106 HydrophobicContact CG1-CD1 3.96Å; V102-L106 HydrophobicContact CG1-CG 4.4Å; V102-L106 WeakPolarHBondContact O-CG 3.45Å; V102-L106 PolarHBondContact O-N 3.01Å |
| 103 | T | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.9 | -47.2 | 175.3 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | G74 F77 S78 M99 F100 A101 I105 L106 Y107 | G74-T103 WeakPolarHBondContact O-CG2 3.42Å; G74-T103 PolarHBondContact O-OG1 3.45Å; F77-T103 WeakPolarHBondContact CB-OG1 3.45Å; S78-T103 PolarHBondContact N-OG1 3.43Å; S78-T103 VanDerWaalsContact N-OG1 3.13Å; M99-T103 PolarHBondContact O-N 3.13Å; M99-T103 PolarHBondContact O-OG1 3.29Å; F100-T103 WeakPolarHBondContact O-CA 3.4Å; F100-T103 VanDerWaalsContact O-CB 3.25Å; F100-T103 WeakPolarHBondContact O-CB 3.26Å; F100-T103 PolarHBondContact O-N 3.07Å; F100-T103 VanDerWaalsContact O-N 3.1Å; A101-T103 VanDerWaalsContact C-N 3.33Å; A101-T103 PolarHBondContact O-N 2.87Å; T103-I105 PolarHBondContact O-N 3.27Å; T103-L106 PolarHBondContact O-N 2.9Å; T103-Y107 HydrophobicContact CG2-CD2 3.9Å; T103-Y107 HydrophobicContact CG2-CE1 4.14Å; T103-Y107 HydrophobicContact CG2-CE2 3.41Å; T103-Y107 VanDerWaalsContact CG2-CE2 3.41Å; T103-Y107 HydrophobicContact CG2-CG 4.45Å; T103-Y107 PolarHBondContact O-N 3.11Å |
| 104 | H | 98.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.3 | -39 | 179.6 | -64.6 | -40.5 | 0 | 0 | 0 | 112.7 | F100 A101 V102 Y107 A108 Y150 M157 F186 D190 | F100-H104 PolarHBondContact O-CD2 2.94Å; F100-H104 VanDerWaalsContact O-CG 3.3Å; F100-H104 PolarHBondContact O-N 2.9Å; A101-H104 PolarHBondContact O-N 3.49Å; V102-H104 VanDerWaalsContact C-N 3.34Å; V102-H104 PolarHBondContact O-N 3.35Å; H104-Y107 PolarHBondContact O-N 2.95Å; H104-A108 VanDerWaalsContact O-CB 3.22Å; H104-A108 WeakPolarHBondContact O-CB 3.47Å; H104-A108 PolarHBondContact O-N 3.25Å; H104-Y150 AromaticContact CD2-CE2 3.91Å; H104-Y150 AromaticContact CD2-CZ 3.73Å; H104-Y150 AromaticContact NE2-CZ 3.49Å; H104-Y150 PolarHBondContact NE2-OH 2.65Å; H104-M157 HydrophobicContact CB-CB 4.24Å; H104-F186 AromaticContact CE1-CD1 3.67Å; H104-F186 AromaticContact CE1-CE1 3.48Å; H104-F186 VanDerWaalsContact CE1-CE1 3.48Å; H104-F186 WeakPolarHBondContact CE1-CE1 3.32Å; H104-F186 AromaticContact CE1-CE2 4Å; H104-F186 AromaticContact CE1-CZ 3.66Å; H104-D190 IonicContact NE2-OD2 3.46Å |
| 105 | I | 98.6 | Very high | 95.8 | Very high | 83 Ų | 83 | 46.6 Ų | 46.6 | 43% | 0.426 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.8 | -44.6 | 175 | -67.8 | 165.6 | 0 | 0 | 0 | 110.7 | A101 V102 T103 A108 S109 L153 | A101-I105 WeakPolarHBondContact O-CG1 3.36Å; A101-I105 PolarHBondContact O-N 3.44Å; A101-I105 VanDerWaalsContact O-N 3.09Å; V102-I105 PolarHBondContact O-N 3.15Å; T103-I105 PolarHBondContact O-N 3.27Å; I105-A108 PolarHBondContact O-N 3.39Å; I105-S109 WeakPolarHBondContact O-CB 3.39Å; I105-S109 PolarHBondContact O-N 2.88Å; I105-S109 PolarHBondContact O-OG 3.46Å; I105-L153 HydrophobicContact CD1-CD1 4.26Å; I105-L153 HydrophobicContact CD1-CD2 4.14Å; I105-L153 HydrophobicContact CG1-CD1 4.47Å; I105-L153 HydrophobicContact CG1-CD2 3.84Å |
| 106 | L | 98.5 | Very high | 95.4 | Very high | 29 Ų | 29 | 44.6 Ų | 44.6 | 15% | 0.152 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.8 | -44.4 | 179 | -69 | 169.7 | 0 | 0 | 0 | 111.4 | L70 V73 F77 V102 T103 S109 A110 | L70-L106 HydrophobicContact CD2-CD2 3.72Å; V73-L106 HydrophobicContact CB-CD1 4.26Å; V73-L106 HydrophobicContact CG1-CD1 3.77Å; F77-L106 HydrophobicContact CD2-CD1 3.78Å; F77-L106 HydrophobicContact CE2-CD1 4.25Å; V102-L106 HydrophobicContact CG1-CD1 3.96Å; V102-L106 HydrophobicContact CG1-CG 4.4Å; V102-L106 WeakPolarHBondContact O-CG 3.45Å; V102-L106 PolarHBondContact O-N 3.01Å; T103-L106 PolarHBondContact O-N 2.9Å; L106-S109 WeakPolarHBondContact O-CB 3.32Å; L106-S109 PolarHBondContact O-N 3.04Å; L106-A110 WeakPolarHBondContact O-CB 3.34Å; L106-A110 PolarHBondContact O-N 3.37Å |
| 107 | Y | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66 | -44.2 | 176.5 | -68.7 | -7.7 | 0 | 0 | 0 | 112.2 | I71 L75 T103 H104 S109 A110 F111 F186 Q217 I220 | I71-Y107 HydrophobicContact CB-CD1 4.48Å; I71-Y107 HydrophobicContact CB-CE1 4.31Å; I71-Y107 HydrophobicContact CG1-CD1 4.11Å; I71-Y107 HydrophobicContact CG1-CE1 4.4Å; I71-Y107 HydrophobicContact CG2-CE1 4.15Å; I71-Y107 WeakPolarHBondContact O-CE1 3.14Å; L75-Y107 WeakPolarHBondContact CD2-OH 3.33Å; L75-Y107 PolarHBondContact N-OH 3.44Å; T103-Y107 HydrophobicContact CG2-CD2 3.9Å; T103-Y107 HydrophobicContact CG2-CE1 4.14Å; T103-Y107 HydrophobicContact CG2-CE2 3.41Å; T103-Y107 VanDerWaalsContact CG2-CE2 3.41Å; T103-Y107 HydrophobicContact CG2-CG 4.45Å; T103-Y107 PolarHBondContact O-N 3.11Å; H104-Y107 PolarHBondContact O-N 2.95Å; Y107-S109 PolarHBondContact O-N 3.32Å; Y107-A110 WeakPolarHBondContact O-CB 3.25Å; Y107-A110 PolarHBondContact O-N 3.45Å; Y107-A110 VanDerWaalsContact O-N 3.07Å; Y107-F111 WeakPolarHBondContact O-CD2 3.44Å; Y107-F111 VanDerWaalsContact O-CG 3.24Å; Y107-F111 WeakPolarHBondContact O-CG 3.4Å; Y107-F111 PolarHBondContact O-N 3.15Å; Y107-F186 HydrophobicContact CE2-CE2 4.12Å; Y107-Q217 PolarHBondContact OH-NE2 3.12Å; Y107-Q217 PolarHBondContact OH-OE1 3.16Å; Y107-I220 HydrophobicContact CD1-CG2 4.25Å; Y107-I220 HydrophobicContact CD2-CD1 3.79Å; Y107-I220 HydrophobicContact CD2-CG2 4.05Å; Y107-I220 HydrophobicContact CE1-CG2 4.21Å; Y107-I220 HydrophobicContact CE2-CD1 3.86Å; Y107-I220 HydrophobicContact CE2-CG2 3.98Å; Y107-I220 HydrophobicContact CG-CG2 4.19Å |
| 108 | A | 97.3 | Very high | 94.9 | Very high | 3 Ų | 3 | 50.9 Ų | 50.9 | 3% | 0.025 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.9 | -41.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | H104 I105 F111 G112 F156 M157 R160 | H104-A108 VanDerWaalsContact O-CB 3.22Å; H104-A108 WeakPolarHBondContact O-CB 3.47Å; H104-A108 PolarHBondContact O-N 3.25Å; I105-A108 PolarHBondContact O-N 3.39Å; A108-F111 PolarHBondContact O-N 3Å; A108-G112 PolarHBondContact O-N 2.95Å; A108-G112 VanDerWaalsContact O-N 3.12Å; A108-F156 HydrophobicContact CB-CD1 3.72Å; A108-F156 HydrophobicContact CB-CE1 3.85Å; A108-M157 HydrophobicContact CB-CB 4.02Å; A108-M157 HydrophobicContact CB-CG 4.39Å; A108-R160 HydrophobicContact CB-CG 4.23Å |
| 109 | S | 96.5 | Very high | 94.7 | Very high | 65 Ų | 65 | 56.8 Ų | 56.8 | 46% | 0.455 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.3 | -39 | 175.8 | -58.9 | 0 | 0 | 0 | 0 | 111.8 | I105 L106 Y107 G112 | I105-S109 WeakPolarHBondContact O-CB 3.39Å; I105-S109 PolarHBondContact O-N 2.88Å; I105-S109 PolarHBondContact O-OG 3.46Å; L106-S109 WeakPolarHBondContact O-CB 3.32Å; L106-S109 PolarHBondContact O-N 3.04Å; Y107-S109 PolarHBondContact O-N 3.32Å; S109-G112 PolarHBondContact O-N 3.42Å |
| 110 | A | 94.3 | Very high | 94.5 | Very high | 7 Ų | 7 | 57.5 Ų | 57.5 | 6% | 0.058 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.3 | -38.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S67 L70 I71 L106 Y107 G112 | S67-A110 WeakPolarHBondContact CB-O 3.34Å; S67-A110 WeakPolarHBondContact O-CB 3.32Å; S67-A110 PolarHBondContact OG-O 3.16Å; L70-A110 HydrophobicContact CB-CB 3.82Å; L70-A110 HydrophobicContact CD1-CB 4.31Å; I71-A110 HydrophobicContact CD1-CB 4.08Å; I71-A110 HydrophobicContact CG1-CB 3.7Å; L106-A110 WeakPolarHBondContact O-CB 3.34Å; L106-A110 PolarHBondContact O-N 3.37Å; Y107-A110 WeakPolarHBondContact O-CB 3.25Å; Y107-A110 PolarHBondContact O-N 3.45Å; Y107-A110 VanDerWaalsContact O-N 3.07Å; A110-G112 VanDerWaalsContact C-N 3.3Å |
| 111 | F | 93.6 | Very high | 94.3 | Very high | 37 Ų | 37 | 57.7 Ų | 57.7 | 16% | 0.162 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -73.7 | -22.4 | 176.5 | -56.5 | -35.6 | 0 | 0 | 0 | 113 | Y107 A108 M157 R160 A161 A179 I220 | Y107-F111 WeakPolarHBondContact O-CD2 3.44Å; Y107-F111 VanDerWaalsContact O-CG 3.24Å; Y107-F111 WeakPolarHBondContact O-CG 3.4Å; Y107-F111 PolarHBondContact O-N 3.15Å; A108-F111 PolarHBondContact O-N 3Å; F111-M157 HydrophobicContact CD2-CG 4.44Å; F111-M157 HydrophobicContact CE2-CG 4.03Å; F111-M157 HydrophobicContact CE2-SD 3.79Å; F111-R160 HydrophobicContact CB-CB 3.97Å; F111-R160 HydrophobicContact CD2-CB 4.49Å; F111-A161 HydrophobicContact CD2-CB 3.67Å; F111-A161 HydrophobicContact CE2-CB 3.7Å; F111-A161 HydrophobicContact CG-CB 4.3Å; F111-A161 HydrophobicContact CZ-CB 4.34Å; F111-A179 HydrophobicContact CD1-CB 4.06Å; F111-A179 HydrophobicContact CE1-CB 3.63Å; F111-A179 HydrophobicContact CZ-CB 4.13Å; F111-I220 HydrophobicContact CZ-CG1 4.32Å; F111-I220 HydrophobicContact CZ-CG2 4.16Å |
| 112 | G | 91.8 | Very high | 94.2 | Very high | 24 Ų | 24 | 62.8 Ų | 62.8 | 25% | 0.247 | 32% | 0.321 | C | S | . | . | trans | 74.8 | 174.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | A108 S109 A110 R160 | A108-G112 PolarHBondContact O-N 2.95Å; A108-G112 VanDerWaalsContact O-N 3.12Å; S109-G112 PolarHBondContact O-N 3.42Å; A110-G112 VanDerWaalsContact C-N 3.3Å; G112-R160 VanDerWaalsContact O-CZ 3.23Å; G112-R160 PolarHBondContact O-NE 3.24Å; G112-R160 PolarHBondContact O-NH2 3.21Å | ||
| 113 | M | 89.9 | Confident | 94.1 | Very high | 96 Ų | 96 | 64.7 Ų | 64.7 | 47% | 0.473 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -98.7 | -2.3 | -170.9 | -66.7 | -58 | -70.5 | 0 | 0 | 114.9 | P115 L116 F156 R160 | M113-P115 CarbonylContact O-C 3.43Å; M113-L116 HydrophobicContact CE-CD2 3.98Å; M113-L116 WeakPolarHBondContact O-CD2 3.35Å; M113-L116 PolarHBondContact O-N 2.83Å; M113-F156 HydrophobicContact CE-CE2 4.33Å; M113-F156 HydrophobicContact CE-CZ 4.01Å; M113-F156 HydrophobicContact SD-CE2 4.49Å; M113-F156 HydrophobicContact SD-CZ 3.69Å; M113-R160 VanDerWaalsContact CA-NH2 3.27Å; M113-R160 PolarHBondContact O-NH2 3.25Å; M113-R160 HydrophobicContact SD-CG 4.4Å |
| 114 | R | 85.6 | Confident | 94 | Very high | 234 Ų | 234 | 66 Ų | 66 | 88% | 0.883 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -119.9 | 131.7 | -177.4 | -66.6 | -175.2 | -180 | -176.3 | 0.4 | 111.2 | ||
| 115 | P | 88.8 | Confident | 93.9 | Very high | 53 Ų | 53 | 67.8 Ų | 67.8 | 34% | 0.344 | 36% | 0.357 | S | S | . | . | S | Bend | cis | -70.8 | 158.7 | -7.7 | 33.6 | -36.1 | 0 | 0 | 0 | 111.2 | M113 R160 A163 | M113-P115 CarbonylContact O-C 3.43Å; P115-R160 PolarHBondContact O-NH1 3.23Å; P115-R160 PolarHBondContact O-NH2 3.39Å; P115-A163 WeakPolarHBondContact CG-O 3.34Å |
| 116 | L | 88.1 | Confident | 93.9 | Very high | 89 Ų | 89 | 67.7 Ų | 67.7 | 47% | 0.466 | 36% | 0.36 | S | S | . | . | trans | -67.8 | -41.2 | 176.5 | -77.1 | 171.6 | 0 | 0 | 0 | 111.5 | M113 L118 W159 R160 | M113-L116 HydrophobicContact CE-CD2 3.98Å; M113-L116 WeakPolarHBondContact O-CD2 3.35Å; M113-L116 PolarHBondContact O-N 2.83Å; L116-L118 HydrophobicContact CB-CD2 4.43Å; L116-W159 VanDerWaalsContact O-CE2 3.25Å; L116-W159 WeakPolarHBondContact O-CZ2 3.48Å; L116-W159 PolarHBondContact O-NE1 2.92Å; L116-R160 PolarHBondContact O-NH1 3.08Å | ||
| 117 | A | 90.9 | Very high | 93.8 | Very high | 33 Ų | 33 | 71 Ų | 71 | 27% | 0.273 | 38% | 0.378 | S | S | . | . | trans | 49.2 | 59.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R119 T120 G121 W159 A163 | A117-R119 PolarHBondContact O-N 3.46Å; A117-R119 VanDerWaalsContact O-N 3.16Å; A117-T120 WeakPolarHBondContact O-CB 3.06Å; A117-T120 PolarHBondContact O-N 3.24Å; A117-G121 PolarHBondContact O-N 3.46Å; A117-W159 PolarHBondContact O-NE1 2.85Å; A117-W159 VanDerWaalsContact O-NE1 3.11Å; A117-A163 HydrophobicContact CB-CB 3.66Å | ||
| 118 | L | 92.8 | Very high | 93.8 | Very high | 120 Ų | 120 | 72 Ų | 72 | 63% | 0.628 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -57 | -31.7 | -175.4 | -64.3 | 176.2 | 0 | 0 | 0 | 113.6 | L116 G121 L122 W159 | L116-L118 HydrophobicContact CB-CD2 4.43Å; L118-G121 PolarHBondContact O-N 3.45Å; L118-L122 WeakPolarHBondContact O-CB 3.31Å; L118-L122 PolarHBondContact O-N 2.91Å; L118-W159 HydrophobicContact CD2-CH2 4.24Å; L118-W159 HydrophobicContact CD2-CZ2 4.1Å |
| 119 | R | 93.6 | Very high | 93.8 | Very high | 224 Ų | 224 | 73.7 Ų | 73.7 | 85% | 0.845 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62.6 | -47.2 | 175.1 | -66.4 | -176.6 | -175.6 | 176.8 | 1.2 | 111.5 | A117 G121 L122 V123 | A117-R119 PolarHBondContact O-N 3.46Å; A117-R119 VanDerWaalsContact O-N 3.16Å; R119-G121 VanDerWaalsContact C-N 3.29Å; R119-G121 PolarHBondContact O-N 3.02Å; R119-L122 PolarHBondContact O-N 2.92Å; R119-V123 WeakPolarHBondContact O-CG2 3.45Å; R119-V123 PolarHBondContact O-N 3.49Å |
| 120 | T | 92.9 | Very high | 93.8 | Very high | 48 Ų | 48 | 75.9 Ų | 75.9 | 29% | 0.294 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.1 | -41.4 | 174.4 | -49.8 | 0 | 0 | 0 | 0 | 110.8 | A117 V123 I124 M162 | A117-T120 WeakPolarHBondContact O-CB 3.06Å; A117-T120 PolarHBondContact O-N 3.24Å; T120-V123 PolarHBondContact O-N 3.43Å; T120-I124 HydrophobicContact CG2-CD1 3.98Å; T120-I124 WeakPolarHBondContact O-CG1 3.48Å; T120-I124 PolarHBondContact O-N 3.03Å; T120-M162 HydrophobicContact CG2-CB 3.8Å |
| 121 | G | 94.5 | Very high | 93.9 | Very high | 12 Ų | 12 | 77.6 Ų | 77.6 | 12% | 0.124 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A117 L118 R119 I124 G125 W159 | A117-G121 PolarHBondContact O-N 3.46Å; L118-G121 PolarHBondContact O-N 3.45Å; R119-G121 VanDerWaalsContact C-N 3.29Å; R119-G121 PolarHBondContact O-N 3.02Å; G121-I124 PolarHBondContact O-N 3.17Å; G121-G125 PolarHBondContact O-N 2.65Å; G121-W159 VanDerWaalsContact CA-CD2 3.48Å; G121-W159 VanDerWaalsContact CA-CG 3.47Å; G121-W159 VanDerWaalsContact CA-NE1 3.25Å; G121-W159 VanDerWaalsContact N-CD1 3.31Å; G121-W159 VanDerWaalsContact N-NE1 3.2Å |
| 122 | L | 96.8 | Very high | 94.1 | Very high | 119 Ų | 119 | 78.4 Ų | 78.4 | 62% | 0.623 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.9 | -45.2 | 176 | -174.7 | 148.3 | 0 | 0 | 0 | 111.2 | L118 R119 I124 G125 V126 | L118-L122 WeakPolarHBondContact O-CB 3.31Å; L118-L122 PolarHBondContact O-N 2.91Å; R119-L122 PolarHBondContact O-N 2.92Å; L122-I124 PolarHBondContact O-N 3.01Å; L122-G125 PolarHBondContact O-N 3.05Å; L122-V126 HydrophobicContact CD2-CG2 4.13Å; L122-V126 WeakPolarHBondContact O-CG2 3.32Å; L122-V126 PolarHBondContact O-N 2.68Å |
| 123 | V | 96.7 | Very high | 94.4 | Very high | 81 Ų | 81 | 80.1 Ų | 80.1 | 49% | 0.491 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.1 | -48.5 | 176.9 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | R119 T120 G125 V126 L127 | R119-V123 WeakPolarHBondContact O-CG2 3.45Å; R119-V123 PolarHBondContact O-N 3.49Å; T120-V123 PolarHBondContact O-N 3.43Å; V123-G125 VanDerWaalsContact C-N 3.34Å; V123-G125 PolarHBondContact O-N 2.58Å; V123-V126 PolarHBondContact O-N 2.9Å; V123-L127 HydrophobicContact CG1-CD1 4.03Å; V123-L127 VanDerWaalsContact O-CG 3.3Å; V123-L127 WeakPolarHBondContact O-CG 3.43Å; V123-L127 PolarHBondContact O-N 3.21Å |
| 124 | I | 96.1 | Very high | 94.7 | Very high | 28 Ų | 28 | 80.4 Ų | 80.4 | 14% | 0.144 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -66.1 | -38.2 | 179.3 | -70.9 | 168.4 | 0 | 0 | 0 | 111.4 | T120 G121 L122 L127 S128 S155 W159 M162 | T120-I124 HydrophobicContact CG2-CD1 3.98Å; T120-I124 WeakPolarHBondContact O-CG1 3.48Å; T120-I124 PolarHBondContact O-N 3.03Å; G121-I124 PolarHBondContact O-N 3.17Å; L122-I124 PolarHBondContact O-N 3.01Å; I124-L127 PolarHBondContact O-N 2.94Å; I124-S128 VanDerWaalsContact O-CB 3.3Å; I124-S128 WeakPolarHBondContact O-CB 3.42Å; I124-S128 PolarHBondContact O-N 2.94Å; I124-S128 PolarHBondContact O-OG 3.28Å; I124-S155 WeakPolarHBondContact CG2-O 3.22Å; I124-W159 HydrophobicContact CB-CB 4.44Å; I124-W159 VanDerWaalsContact CD1-CA 3.42Å; I124-W159 HydrophobicContact CD1-CB 3.94Å; I124-W159 HydrophobicContact CG2-CB 4.27Å; I124-M162 HydrophobicContact CD1-CB 4.04Å; I124-M162 HydrophobicContact CD1-CG 4.16Å |
| 125 | G | 97.1 | Very high | 95.3 | Very high | 38 Ų | 38 | 69.4 Ų | 69.4 | 39% | 0.392 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.6 | -39 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G121 L122 V123 S128 G129 | G121-G125 PolarHBondContact O-N 2.65Å; L122-G125 PolarHBondContact O-N 3.05Å; V123-G125 VanDerWaalsContact C-N 3.34Å; V123-G125 PolarHBondContact O-N 2.58Å; G125-S128 WeakPolarHBondContact CA-OG 3.45Å; G125-S128 PolarHBondContact O-OG 2.77Å; G125-G129 PolarHBondContact O-N 2.69Å |
| 126 | V | 97.9 | Very high | 95.7 | Very high | 81 Ų | 81 | 73.2 Ų | 73.2 | 49% | 0.491 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67 | -48.1 | 174 | 170.2 | 0 | 0 | 0 | 0 | 110.2 | L122 V123 S128 G129 L130 | L122-V126 HydrophobicContact CD2-CG2 4.13Å; L122-V126 WeakPolarHBondContact O-CG2 3.32Å; L122-V126 PolarHBondContact O-N 2.68Å; V123-V126 PolarHBondContact O-N 2.9Å; V126-S128 VanDerWaalsContact C-N 3.32Å; V126-S128 PolarHBondContact O-N 2.83Å; V126-G129 PolarHBondContact O-N 3.38Å; V126-L130 HydrophobicContact CG1-CD1 4.22Å; V126-L130 WeakPolarHBondContact O-CG 3.36Å; V126-L130 PolarHBondContact O-N 3.27Å |
| 127 | L | 97.4 | Very high | 96.1 | Very high | 99 Ų | 99 | 74.2 Ų | 74.2 | 52% | 0.518 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 178.3 | -69.7 | 174.5 | 0 | 0 | 0 | 111.8 | V123 I124 L130 C131 | V123-L127 HydrophobicContact CG1-CD1 4.03Å; V123-L127 VanDerWaalsContact O-CG 3.3Å; V123-L127 WeakPolarHBondContact O-CG 3.43Å; V123-L127 PolarHBondContact O-N 3.21Å; I124-L127 PolarHBondContact O-N 2.94Å; L127-L130 PolarHBondContact O-N 2.87Å; L127-C131 PolarHBondContact O-N 3.44Å; L127-C131 PolarHBondContact O-SG 3.36Å |
| 128 | S | 96.6 | Very high | 96.3 | Very high | 21 Ų | 21 | 74.1 Ų | 74.1 | 15% | 0.147 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -68.5 | -37.2 | 177.7 | 69.1 | 0 | 0 | 0 | 0 | 112.6 | I124 G125 V126 L130 C131 Y132 S155 | I124-S128 VanDerWaalsContact O-CB 3.3Å; I124-S128 WeakPolarHBondContact O-CB 3.42Å; I124-S128 PolarHBondContact O-N 2.94Å; I124-S128 PolarHBondContact O-OG 3.28Å; G125-S128 WeakPolarHBondContact CA-OG 3.45Å; G125-S128 PolarHBondContact O-OG 2.77Å; V126-S128 VanDerWaalsContact C-N 3.32Å; V126-S128 PolarHBondContact O-N 2.83Å; S128-L130 VanDerWaalsContact C-N 3.34Å; S128-C131 PolarHBondContact O-N 3.14Å; S128-Y132 WeakPolarHBondContact O-CB 3.26Å; S128-Y132 PolarHBondContact O-N 3.45Å; S128-S155 WeakPolarHBondContact CB-OG 3.43Å |
| 129 | G | 97.4 | Very high | 96.4 | Very high | 39 Ų | 39 | 69.2 Ų | 69.2 | 40% | 0.402 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.4 | -42.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G125 V126 Y132 A133 | G125-G129 PolarHBondContact O-N 2.69Å; V126-G129 PolarHBondContact O-N 3.38Å; G129-Y132 PolarHBondContact O-N 3.39Å; G129-A133 VanDerWaalsContact O-CB 3.32Å; G129-A133 WeakPolarHBondContact O-CB 3.45Å; G129-A133 PolarHBondContact O-N 3.26Å |
| 130 | L | 97.5 | Very high | 96.4 | Very high | 111 Ų | 111 | 62.8 Ų | 62.8 | 58% | 0.581 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -64.8 | -44.4 | 174.7 | -67.5 | 172.7 | 0 | 0 | 0 | 111.9 | V126 L127 S128 Y132 A133 L134 | V126-L130 HydrophobicContact CG1-CD1 4.22Å; V126-L130 WeakPolarHBondContact O-CG 3.36Å; V126-L130 PolarHBondContact O-N 3.27Å; L127-L130 PolarHBondContact O-N 2.87Å; S128-L130 VanDerWaalsContact C-N 3.34Å; L130-Y132 PolarHBondContact O-N 3.41Å; L130-A133 PolarHBondContact O-N 3.23Å; L130-L134 PolarHBondContact O-N 3.33Å |
| 131 | C | 96.6 | Very high | 96.5 | Very high | 42 Ų | 42 | 63.3 Ų | 63.3 | 28% | 0.284 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.3 | -44.9 | 175 | -71.1 | 0 | 0 | 0 | 0 | 111.7 | L127 S128 L134 L135 L191 | L127-C131 PolarHBondContact O-N 3.44Å; L127-C131 PolarHBondContact O-SG 3.36Å; S128-C131 PolarHBondContact O-N 3.14Å; C131-L134 WeakPolarHBondContact O-CB 3.38Å; C131-L134 PolarHBondContact O-N 3.04Å; C131-L135 WeakPolarHBondContact O-CG 3.31Å; C131-L135 PolarHBondContact O-N 3.41Å; C131-L135 VanDerWaalsContact O-N 3.08Å; C131-L191 HydrophobicContact CB-CD1 4.32Å |
| 132 | Y | 97.8 | Very high | 96.5 | Very high | 55 Ų | 55 | 65.6 Ų | 65.6 | 22% | 0.216 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -65.3 | -41.6 | 177.2 | -179.6 | -101.9 | 0 | 0 | 0 | 111.9 | S128 G129 L130 L134 L135 Y136 L139 T144 V151 | S128-Y132 WeakPolarHBondContact O-CB 3.26Å; S128-Y132 PolarHBondContact O-N 3.45Å; G129-Y132 PolarHBondContact O-N 3.39Å; L130-Y132 PolarHBondContact O-N 3.41Å; Y132-L134 PolarHBondContact O-N 3.31Å; Y132-L135 PolarHBondContact O-N 2.96Å; Y132-Y136 AromaticContact CE1-CD2 3.95Å; Y132-Y136 HydrophobicContact CE1-CD2 3.95Å; Y132-Y136 WeakPolarHBondContact O-CB 3.49Å; Y132-Y136 PolarHBondContact O-N 3.18Å; Y132-L139 HydrophobicContact CD2-CD1 4.46Å; Y132-L139 HydrophobicContact CE2-CD1 3.72Å; Y132-T144 WeakPolarHBondContact OH-CG2 3.16Å; Y132-T144 PolarHBondContact OH-O 2.94Å; Y132-V151 HydrophobicContact CD2-CG2 4.43Å |
| 133 | A | 97.4 | Very high | 96.4 | Very high | 60 Ų | 60 | 62.4 Ų | 62.4 | 50% | 0.496 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.9 | -34 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G129 L130 P137 | G129-A133 VanDerWaalsContact O-CB 3.32Å; G129-A133 WeakPolarHBondContact O-CB 3.45Å; G129-A133 PolarHBondContact O-N 3.26Å; L130-A133 PolarHBondContact O-N 3.23Å; A133-P137 WeakPolarHBondContact O-CD 3.27Å |
| 134 | L | 96.6 | Very high | 96.4 | Very high | 101 Ų | 101 | 59.7 Ų | 59.7 | 53% | 0.529 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -71.1 | -35.7 | 174.1 | -177.8 | 142.7 | 0 | 0 | 0 | 112.6 | L130 C131 Y132 P137 L195 | L130-L134 PolarHBondContact O-N 3.33Å; C131-L134 WeakPolarHBondContact O-CB 3.38Å; C131-L134 PolarHBondContact O-N 3.04Å; Y132-L134 PolarHBondContact O-N 3.31Å; L134-P137 WeakPolarHBondContact O-CD 3.36Å; L134-L195 HydrophobicContact CD2-CD2 3.27Å |
| 135 | L | 97.1 | Very high | 96.4 | Very high | 3 Ų | 3 | 67 Ų | 67 | 2% | 0.016 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -74.4 | -33.9 | 176 | -65.9 | 172.4 | 0 | 0 | 0 | 112.5 | C131 Y132 P137 G138 L139 V147 V151 A194 L195 | C131-L135 WeakPolarHBondContact O-CG 3.31Å; C131-L135 PolarHBondContact O-N 3.41Å; C131-L135 VanDerWaalsContact O-N 3.08Å; Y132-L135 PolarHBondContact O-N 2.96Å; L135-P137 VanDerWaalsContact C-CD 3.42Å; L135-G138 PolarHBondContact O-N 3.42Å; L135-L139 HydrophobicContact CB-CD1 4.39Å; L135-V147 HydrophobicContact CD1-CG1 4.12Å; L135-V151 HydrophobicContact CD1-CG2 4.48Å; L135-A194 HydrophobicContact CD1-CB 3.81Å; L135-A194 HydrophobicContact CD2-CB 3.77Å; L135-A194 HydrophobicContact CG-CB 4.48Å; L135-L195 HydrophobicContact CD2-CD2 4.02Å; L135-L195 HydrophobicContact CD2-CG 4.42Å |
| 136 | Y | 97.2 | Very high | 96.3 | Very high | 133 Ų | 133 | 68.6 Ų | 68.6 | 52% | 0.522 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -48.7 | -44 | -169.2 | -178 | -100.2 | 0 | 0 | 0 | 115.4 | Y132 G138 L139 T144 | Y132-Y136 AromaticContact CE1-CD2 3.95Å; Y132-Y136 HydrophobicContact CE1-CD2 3.95Å; Y132-Y136 WeakPolarHBondContact O-CB 3.49Å; Y132-Y136 PolarHBondContact O-N 3.18Å; Y136-G138 PolarHBondContact O-N 3.07Å; Y136-L139 PolarHBondContact O-N 3.4Å; Y136-L139 VanDerWaalsContact O-N 3.09Å; Y136-T144 HydrophobicContact CD2-CG2 4.1Å; Y136-T144 HydrophobicContact CE2-CG2 3.7Å |
| 137 | P | 96.8 | Very high | 96.3 | Very high | 110 Ų | 110 | 65.1 Ų | 65.1 | 71% | 0.714 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -62.7 | -24.5 | 179 | -22.5 | 34.6 | 0 | 0 | 0 | 114.3 | A133 L134 L135 | A133-P137 WeakPolarHBondContact O-CD 3.27Å; L134-P137 WeakPolarHBondContact O-CD 3.36Å; L135-P137 VanDerWaalsContact C-CD 3.42Å |
| 138 | G | 94.8 | Very high | 96.3 | Very high | 32 Ų | 32 | 61.4 Ų | 61.4 | 33% | 0.33 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -90.7 | -6.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L135 Y136 F198 | L135-G138 PolarHBondContact O-N 3.42Å; Y136-G138 PolarHBondContact O-N 3.07Å; G138-F198 VanDerWaalsContact CA-O 3.29Å; G138-F198 WeakPolarHBondContact CA-O 3.48Å |
| 139 | L | 96 | Very high | 96.4 | Very high | 16 Ų | 16 | 64.8 Ų | 64.8 | 8% | 0.084 | 39% | 0.39 | C | S | . | . | trans | -91.5 | 140.4 | -178.9 | -58.9 | 178.1 | 0 | 0 | 0 | 110.8 | Y132 L135 Y136 F143 V147 F198 | Y132-L139 HydrophobicContact CD2-CD1 4.46Å; Y132-L139 HydrophobicContact CE2-CD1 3.72Å; L135-L139 HydrophobicContact CB-CD1 4.39Å; Y136-L139 PolarHBondContact O-N 3.4Å; Y136-L139 VanDerWaalsContact O-N 3.09Å; L139-F143 HydrophobicContact CD2-CB 4.48Å; L139-V147 HydrophobicContact CD1-CB 3.94Å; L139-V147 HydrophobicContact CD1-CG1 3.99Å; L139-V147 HydrophobicContact CD2-CB 4.17Å; L139-V147 HydrophobicContact CD2-CG1 4.32Å; L139-V147 HydrophobicContact CD2-CG2 3.87Å; L139-F198 HydrophobicContact CD2-CB 4.06Å; L139-F198 HydrophobicContact CD2-CD1 3.75Å; L139-F198 HydrophobicContact CD2-CD2 3.88Å; L139-F198 HydrophobicContact CD2-CE1 4.13Å; L139-F198 HydrophobicContact CD2-CE2 4.25Å; L139-F198 HydrophobicContact CD2-CG 3.62Å; L139-F198 HydrophobicContact CD2-CZ 4.37Å | ||
| 140 | S | 94.2 | Very high | 96.4 | Very high | 89 Ų | 89 | 63.9 Ų | 63.9 | 62% | 0.622 | 38% | 0.375 | S | S | * | . | trans | -141.2 | 153 | 175.3 | 63.2 | 0 | 0 | 0 | 0 | 111.9 | A142 F143 | S140-A142 PolarHBondContact O-N 3.41Å; S140-F143 PolarHBondContact O-N 3.3Å | ||
| 141 | G | 95 | Very high | 96.4 | Very high | 60 Ų | 60 | 59.6 Ų | 59.6 | 62% | 0.619 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | -131.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | F143 T144 | G141-F143 VanDerWaalsContact C-N 3.25Å; G141-F143 PolarHBondContact O-N 3.1Å; G141-T144 PolarHBondContact O-N 3.48Å |
| 142 | A | 93.9 | Very high | 96.5 | Very high | 60 Ų | 60 | 60.5 Ų | 60.5 | 50% | 0.496 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65 | -27.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S140 T144 Y145 L146 | S140-A142 PolarHBondContact O-N 3.41Å; A142-T144 VanDerWaalsContact C-N 3.26Å; A142-T144 PolarHBondContact O-N 3.43Å; A142-Y145 PolarHBondContact O-N 2.87Å; A142-Y145 VanDerWaalsContact O-N 3.15Å; A142-L146 HydrophobicContact CB-CD1 4.29Å; A142-L146 WeakPolarHBondContact O-CG 3.44Å; A142-L146 PolarHBondContact O-N 3.17Å |
| 143 | F | 94.8 | Very high | 96.6 | Very high | 52 Ų | 52 | 60 Ų | 60 | 23% | 0.228 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.5 | -27.7 | -177.9 | -75.6 | -65.9 | 0 | 0 | 0 | 113.2 | F93 E94 L139 S140 G141 Y145 L146 V147 F198 | F93-F143 AromaticContact CD1-CE1 3.77Å; F93-F143 HydrophobicContact CD1-CE1 3.77Å; F93-F143 HydrophobicContact CD1-CZ 4.3Å; F93-F143 HydrophobicContact CE1-CE1 4.02Å; E94-F143 HydrophobicContact CG-CE1 3.82Å; E94-F143 HydrophobicContact CG-CZ 3.86Å; E94-F143 WeakPolarHBondContact OE1-CZ 3.26Å; L139-F143 HydrophobicContact CD2-CB 4.48Å; S140-F143 PolarHBondContact O-N 3.3Å; G141-F143 VanDerWaalsContact C-N 3.25Å; G141-F143 PolarHBondContact O-N 3.1Å; F143-Y145 VanDerWaalsContact C-N 3.28Å; F143-Y145 PolarHBondContact O-N 3.42Å; F143-L146 HydrophobicContact CD1-CD1 4.5Å; F143-V147 VanDerWaalsContact O-CB 3.23Å; F143-V147 WeakPolarHBondContact O-CB 3.42Å; F143-V147 VanDerWaalsContact O-CG2 3.28Å; F143-V147 WeakPolarHBondContact O-CG2 3.18Å; F143-V147 PolarHBondContact O-N 3.34Å; F143-F198 HydrophobicContact CB-CE1 4.23Å; F143-F198 HydrophobicContact CD1-CE1 4.16Å; F143-F198 AromaticContact CD1-CZ 3.89Å; F143-F198 HydrophobicContact CD1-CZ 3.89Å; F143-F198 HydrophobicContact CD2-CE1 4.42Å; F143-F198 HydrophobicContact CE1-CZ 4.39Å; F143-F198 HydrophobicContact CG-CE1 4.01Å; F143-F198 HydrophobicContact CG-CZ 4.2Å |
| 144 | T | 96.4 | Very high | 96.6 | Very high | 23 Ų | 23 | 57.6 Ų | 57.6 | 14% | 0.141 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -55.9 | -45.7 | 173.5 | -52.9 | 0 | 0 | 0 | 0 | 110.8 | Y132 Y136 G141 A142 G148 | Y132-T144 WeakPolarHBondContact OH-CG2 3.16Å; Y132-T144 PolarHBondContact OH-O 2.94Å; Y136-T144 HydrophobicContact CD2-CG2 4.1Å; Y136-T144 HydrophobicContact CE2-CG2 3.7Å; G141-T144 PolarHBondContact O-N 3.48Å; A142-T144 VanDerWaalsContact C-N 3.26Å; A142-T144 PolarHBondContact O-N 3.43Å; T144-G148 PolarHBondContact O-N 3.33Å |
| 145 | Y | 95.9 | Very high | 96.7 | Very high | 181 Ų | 181 | 53.4 Ų | 53.4 | 71% | 0.71 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -79.6 | -44.6 | -179.5 | -56.6 | -79.2 | 0 | 0 | 0 | 112.3 | A142 F143 V147 G148 V149 | A142-Y145 PolarHBondContact O-N 2.87Å; A142-Y145 VanDerWaalsContact O-N 3.15Å; F143-Y145 VanDerWaalsContact C-N 3.28Å; F143-Y145 PolarHBondContact O-N 3.42Å; Y145-V147 PolarHBondContact O-N 3.03Å; Y145-G148 PolarHBondContact O-N 3.23Å; Y145-V149 WeakPolarHBondContact O-CG2 3.37Å; Y145-V149 PolarHBondContact O-N 3Å |
| 146 | L | 95.8 | Very high | 96.7 | Very high | 72 Ų | 72 | 56.9 Ų | 56.9 | 38% | 0.377 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.8 | -46.1 | -178.4 | -71.4 | 170.3 | 0 | 0 | 0 | 111.8 | E94 L97 A142 F143 Y150 | E94-L146 HydrophobicContact CG-CD1 4.47Å; L97-L146 HydrophobicContact CD2-CB 4.18Å; A142-L146 HydrophobicContact CB-CD1 4.29Å; A142-L146 WeakPolarHBondContact O-CG 3.44Å; A142-L146 PolarHBondContact O-N 3.17Å; F143-L146 HydrophobicContact CD1-CD1 4.5Å; L146-Y150 VanDerWaalsContact O-CB 3.32Å; L146-Y150 WeakPolarHBondContact O-CB 3.24Å; L146-Y150 PolarHBondContact O-N 2.79Å |
| 147 | V | 97.2 | Very high | 96.8 | Very high | 8 Ų | 8 | 50.6 Ų | 50.6 | 5% | 0.048 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.3 | -38.6 | 177.5 | 175.5 | 0 | 0 | 0 | 0 | 110.7 | L135 L139 F143 Y145 Y150 V151 F198 | L135-V147 HydrophobicContact CD1-CG1 4.12Å; L139-V147 HydrophobicContact CD1-CB 3.94Å; L139-V147 HydrophobicContact CD1-CG1 3.99Å; L139-V147 HydrophobicContact CD2-CB 4.17Å; L139-V147 HydrophobicContact CD2-CG1 4.32Å; L139-V147 HydrophobicContact CD2-CG2 3.87Å; F143-V147 VanDerWaalsContact O-CB 3.23Å; F143-V147 WeakPolarHBondContact O-CB 3.42Å; F143-V147 VanDerWaalsContact O-CG2 3.28Å; F143-V147 WeakPolarHBondContact O-CG2 3.18Å; F143-V147 PolarHBondContact O-N 3.34Å; Y145-V147 PolarHBondContact O-N 3.03Å; V147-Y150 PolarHBondContact O-N 3.02Å; V147-V151 HydrophobicContact CG1-CG2 4.14Å; V147-V151 WeakPolarHBondContact O-CB 3.17Å; V147-V151 VanDerWaalsContact O-CG2 3.29Å; V147-V151 WeakPolarHBondContact O-CG2 3.31Å; V147-V151 PolarHBondContact O-N 3.45Å; V147-F198 HydrophobicContact CG2-CE2 3.87Å; V147-F198 HydrophobicContact CG2-CZ 4.09Å |
| 148 | G | 97.5 | Very high | 96.8 | Very high | 22 Ų | 22 | 45.4 Ų | 45.4 | 23% | 0.227 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60 | -47.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T144 Y145 Y150 V151 A152 | T144-G148 PolarHBondContact O-N 3.33Å; Y145-G148 PolarHBondContact O-N 3.23Å; G148-Y150 VanDerWaalsContact C-N 3.35Å; G148-V151 PolarHBondContact O-N 3.04Å; G148-A152 PolarHBondContact O-N 3.31Å; G148-A152 VanDerWaalsContact O-N 3.07Å |
| 149 | V | 98.1 | Very high | 96.9 | Very high | 91 Ų | 91 | 46 Ų | 46 | 55% | 0.552 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -62.2 | -44.3 | 174.5 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | Y145 V151 A152 L153 | Y145-V149 WeakPolarHBondContact O-CG2 3.37Å; Y145-V149 PolarHBondContact O-N 3Å; V149-V151 PolarHBondContact O-N 2.78Å; V149-A152 WeakPolarHBondContact O-CB 3.22Å; V149-A152 PolarHBondContact O-N 3Å; V149-L153 HydrophobicContact CG1-CD1 4.11Å; V149-L153 HydrophobicContact CG1-CG 4.44Å; V149-L153 WeakPolarHBondContact O-CG 3.12Å; V149-L153 PolarHBondContact O-N 3.22Å |
| 150 | Y | 98.2 | Very high | 96.9 | Very high | 21 Ų | 21 | 45.4 Ų | 45.4 | 8% | 0.082 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.7 | -46.8 | 178.8 | -171.1 | -92 | 0 | 0 | 0 | 112.6 | L97 F100 A101 H104 L146 V147 G148 A152 L153 I154 D190 | L97-Y150 HydrophobicContact CD1-CD1 3.92Å; L97-Y150 HydrophobicContact CD1-CD2 3.29Å; L97-Y150 HydrophobicContact CD1-CE1 4.09Å; L97-Y150 HydrophobicContact CD1-CE2 3.49Å; L97-Y150 VanDerWaalsContact CD1-CE2 3.49Å; L97-Y150 HydrophobicContact CD1-CG 3.5Å; L97-Y150 VanDerWaalsContact CD1-CG 3.5Å; L97-Y150 HydrophobicContact CG-CD2 3.59Å; L97-Y150 HydrophobicContact CG-CE2 4.02Å; L97-Y150 HydrophobicContact CG-CG 4.09Å; L97-Y150 WeakPolarHBondContact O-CE2 3.5Å; F100-Y150 HydrophobicContact CB-CE2 3.84Å; F100-Y150 WeakPolarHBondContact CB-OH 3.25Å; A101-Y150 HydrophobicContact CB-CD2 4.06Å; A101-Y150 HydrophobicContact CB-CE2 4.27Å; H104-Y150 AromaticContact CD2-CE2 3.91Å; H104-Y150 AromaticContact CD2-CZ 3.73Å; H104-Y150 AromaticContact NE2-CZ 3.49Å; H104-Y150 PolarHBondContact NE2-OH 2.65Å; L146-Y150 VanDerWaalsContact O-CB 3.32Å; L146-Y150 WeakPolarHBondContact O-CB 3.24Å; L146-Y150 PolarHBondContact O-N 2.79Å; V147-Y150 PolarHBondContact O-N 3.02Å; G148-Y150 VanDerWaalsContact C-N 3.35Å; Y150-A152 VanDerWaalsContact C-N 3.28Å; Y150-A152 PolarHBondContact O-N 3.24Å; Y150-L153 PolarHBondContact O-N 2.82Å; Y150-L153 VanDerWaalsContact O-N 3.12Å; Y150-I154 HydrophobicContact CD1-CG2 4.47Å; Y150-I154 HydrophobicContact CE1-CB 4.48Å; Y150-I154 HydrophobicContact CE1-CD1 4.41Å; Y150-I154 HydrophobicContact CE1-CG2 4.47Å; Y150-I154 WeakPolarHBondContact O-CG2 3.36Å; Y150-I154 PolarHBondContact O-N 2.91Å; Y150-D190 HydrophobicContact CE1-CB 4.34Å; Y150-D190 WeakPolarHBondContact CE1-OD2 3.49Å; Y150-D190 VanDerWaalsContact CZ-OD2 3.3Å; Y150-D190 PolarHBondContact OH-OD2 2.97Å |
| 151 | V | 98.3 | Very high | 97 | Very high | 21 Ų | 21 | 41.3 Ų | 41.3 | 13% | 0.127 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.8 | -41.5 | 176.3 | 170 | 0 | 0 | 0 | 0 | 110.5 | Y132 L135 V147 G148 V149 L153 I154 S155 | Y132-V151 HydrophobicContact CD2-CG2 4.43Å; L135-V151 HydrophobicContact CD1-CG2 4.48Å; V147-V151 HydrophobicContact CG1-CG2 4.14Å; V147-V151 WeakPolarHBondContact O-CB 3.17Å; V147-V151 VanDerWaalsContact O-CG2 3.29Å; V147-V151 WeakPolarHBondContact O-CG2 3.31Å; V147-V151 PolarHBondContact O-N 3.45Å; G148-V151 PolarHBondContact O-N 3.04Å; V149-V151 PolarHBondContact O-N 2.78Å; V151-L153 PolarHBondContact O-N 3.09Å; V151-I154 WeakPolarHBondContact O-CG2 3.45Å; V151-S155 WeakPolarHBondContact O-CB 3.39Å; V151-S155 PolarHBondContact O-N 3.26Å; V151-S155 PolarHBondContact O-OG 3.4Å |
| 152 | A | 98.3 | Very high | 96.9 | Very high | 61 Ų | 61 | 41.6 Ų | 41.6 | 50% | 0.504 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62 | -43.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G148 V149 Y150 F156 | G148-A152 PolarHBondContact O-N 3.31Å; G148-A152 VanDerWaalsContact O-N 3.07Å; V149-A152 WeakPolarHBondContact O-CB 3.22Å; V149-A152 PolarHBondContact O-N 3Å; Y150-A152 VanDerWaalsContact C-N 3.28Å; Y150-A152 PolarHBondContact O-N 3.24Å; A152-F156 VanDerWaalsContact O-CB 3.26Å; A152-F156 WeakPolarHBondContact O-CB 3.48Å; A152-F156 PolarHBondContact O-N 3.03Å |
| 153 | L | 98.6 | Very high | 96.8 | Very high | 45 Ų | 45 | 39 Ų | 39 | 24% | 0.236 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.6 | -49.6 | -179.8 | -70.5 | 174.9 | 0 | 0 | 0 | 112.9 | A101 I105 V149 Y150 V151 S155 F156 M157 | A101-L153 HydrophobicContact CB-CD1 3.78Å; I105-L153 HydrophobicContact CD1-CD1 4.26Å; I105-L153 HydrophobicContact CD1-CD2 4.14Å; I105-L153 HydrophobicContact CG1-CD1 4.47Å; I105-L153 HydrophobicContact CG1-CD2 3.84Å; V149-L153 HydrophobicContact CG1-CD1 4.11Å; V149-L153 HydrophobicContact CG1-CG 4.44Å; V149-L153 WeakPolarHBondContact O-CG 3.12Å; V149-L153 PolarHBondContact O-N 3.22Å; Y150-L153 PolarHBondContact O-N 2.82Å; Y150-L153 VanDerWaalsContact O-N 3.12Å; V151-L153 PolarHBondContact O-N 3.09Å; L153-S155 VanDerWaalsContact C-N 3.29Å; L153-S155 PolarHBondContact O-N 3.39Å; L153-F156 WeakPolarHBondContact O-CB 3.43Å; L153-F156 PolarHBondContact O-N 2.86Å; L153-M157 PolarHBondContact O-N 2.85Å |
| 154 | I | 98.4 | Very high | 96.2 | Very high | 9 Ų | 9 | 37.5 Ų | 37.5 | 5% | 0.046 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66 | -35.5 | 179.1 | -165.2 | 176.3 | 0 | 0 | 0 | 111.3 | Y150 V151 M157 G158 F186 I187 D190 | Y150-I154 HydrophobicContact CD1-CG2 4.47Å; Y150-I154 HydrophobicContact CE1-CB 4.48Å; Y150-I154 HydrophobicContact CE1-CD1 4.41Å; Y150-I154 HydrophobicContact CE1-CG2 4.47Å; Y150-I154 WeakPolarHBondContact O-CG2 3.36Å; Y150-I154 PolarHBondContact O-N 2.91Å; V151-I154 WeakPolarHBondContact O-CG2 3.45Å; I154-M157 HydrophobicContact CG1-CE 3.96Å; I154-M157 WeakPolarHBondContact O-CB 3.42Å; I154-M157 PolarHBondContact O-N 3.49Å; I154-G158 PolarHBondContact O-N 3.08Å; I154-F186 HydrophobicContact CD1-CD1 4.24Å; I154-I187 HydrophobicContact CD1-CG1 3.98Å; I154-I187 HydrophobicContact CG1-CG1 3.8Å; I154-D190 HydrophobicContact CD1-CB 3.77Å; I154-D190 WeakPolarHBondContact CD1-OD2 3.42Å |
| 155 | S | 98.1 | Very high | 95.5 | Very high | 13 Ų | 13 | 37.7 Ų | 37.7 | 9% | 0.091 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.7 | -36.3 | 175.4 | -56.7 | 0 | 0 | 0 | 0 | 111.8 | I124 S128 V151 L153 G158 W159 | I124-S155 WeakPolarHBondContact CG2-O 3.22Å; S128-S155 WeakPolarHBondContact CB-OG 3.43Å; V151-S155 WeakPolarHBondContact O-CB 3.39Å; V151-S155 PolarHBondContact O-N 3.26Å; V151-S155 PolarHBondContact O-OG 3.4Å; L153-S155 VanDerWaalsContact C-N 3.29Å; L153-S155 PolarHBondContact O-N 3.39Å; S155-G158 PolarHBondContact O-N 3.36Å; S155-W159 WeakPolarHBondContact O-CB 3.42Å; S155-W159 PolarHBondContact O-N 3.45Å |
| 156 | F | 98.3 | Very high | 94.2 | Very high | 76 Ų | 76 | 36.7 Ų | 36.7 | 33% | 0.333 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.8 | -45.3 | 172.7 | -178.1 | -103.2 | 0 | 0 | 0 | 111 | A108 M113 A152 L153 G158 W159 R160 | A108-F156 HydrophobicContact CB-CD1 3.72Å; A108-F156 HydrophobicContact CB-CE1 3.85Å; M113-F156 HydrophobicContact CE-CE2 4.33Å; M113-F156 HydrophobicContact CE-CZ 4.01Å; M113-F156 HydrophobicContact SD-CE2 4.49Å; M113-F156 HydrophobicContact SD-CZ 3.69Å; A152-F156 VanDerWaalsContact O-CB 3.26Å; A152-F156 WeakPolarHBondContact O-CB 3.48Å; A152-F156 PolarHBondContact O-N 3.03Å; L153-F156 WeakPolarHBondContact O-CB 3.43Å; L153-F156 PolarHBondContact O-N 2.86Å; F156-G158 PolarHBondContact O-N 2.96Å; F156-W159 AromaticContact CD2-CE3 3.82Å; F156-W159 HydrophobicContact CD2-CE3 3.82Å; F156-W159 HydrophobicContact CD2-CZ3 4.11Å; F156-W159 HydrophobicContact CE2-CE3 4.04Å; F156-W159 HydrophobicContact CE2-CZ3 4Å; F156-W159 PolarHBondContact O-N 2.99Å; F156-R160 HydrophobicContact CD1-CG 4.19Å; F156-R160 HydrophobicContact CE1-CG 3.83Å; F156-R160 HydrophobicContact CE2-CG 4.32Å; F156-R160 HydrophobicContact CZ-CG 3.91Å; F156-R160 WeakPolarHBondContact O-CG 3.33Å; F156-R160 PolarHBondContact O-N 3.41Å |
| 157 | M | 98.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.2 | -48.1 | 172.8 | -179.1 | -80.5 | -70.5 | 0 | 0 | 111.6 | H104 A108 F111 L153 I154 W159 R160 A161 A183 F186 | H104-M157 HydrophobicContact CB-CB 4.24Å; A108-M157 HydrophobicContact CB-CB 4.02Å; A108-M157 HydrophobicContact CB-CG 4.39Å; F111-M157 HydrophobicContact CD2-CG 4.44Å; F111-M157 HydrophobicContact CE2-CG 4.03Å; F111-M157 HydrophobicContact CE2-SD 3.79Å; L153-M157 PolarHBondContact O-N 2.85Å; I154-M157 HydrophobicContact CG1-CE 3.96Å; I154-M157 WeakPolarHBondContact O-CB 3.42Å; I154-M157 PolarHBondContact O-N 3.49Å; M157-W159 VanDerWaalsContact C-N 3.33Å; M157-W159 PolarHBondContact O-N 3.27Å; M157-R160 PolarHBondContact O-N 3.27Å; M157-A161 PolarHBondContact O-N 3.1Å; M157-A183 HydrophobicContact CE-CB 4.2Å; M157-A183 HydrophobicContact SD-CB 3.5Å; M157-A183 WeakPolarHBondContact SD-CB 3.47Å; M157-F186 HydrophobicContact CE-CB 4.24Å |
| 158 | G | 97.7 | Very high | 90.1 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.3 | -42.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | I154 S155 F156 A161 M162 | I154-G158 PolarHBondContact O-N 3.08Å; S155-G158 PolarHBondContact O-N 3.36Å; F156-G158 PolarHBondContact O-N 2.96Å; G158-A161 PolarHBondContact O-N 3.28Å; G158-M162 WeakPolarHBondContact O-CB 3.22Å; G158-M162 VanDerWaalsContact O-CG 3.24Å; G158-M162 WeakPolarHBondContact O-CG 3.41Å; G158-M162 PolarHBondContact O-N 3.33Å |
| 159 | W | 97.1 | Very high | 87.7 | Confident | 45 Ų | 45 | 47.5 Ų | 47.5 | 17% | 0.17 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.1 | -46.4 | 174.8 | 172.5 | 30.5 | 0 | 0 | 0 | 112 | L116 A117 L118 G121 I124 S155 F156 M157 A161 M162 A163 | L116-W159 VanDerWaalsContact O-CE2 3.25Å; L116-W159 WeakPolarHBondContact O-CZ2 3.48Å; L116-W159 PolarHBondContact O-NE1 2.92Å; A117-W159 PolarHBondContact O-NE1 2.85Å; A117-W159 VanDerWaalsContact O-NE1 3.11Å; L118-W159 HydrophobicContact CD2-CH2 4.24Å; L118-W159 HydrophobicContact CD2-CZ2 4.1Å; G121-W159 VanDerWaalsContact CA-CD2 3.48Å; G121-W159 VanDerWaalsContact CA-CG 3.47Å; G121-W159 VanDerWaalsContact CA-NE1 3.25Å; G121-W159 VanDerWaalsContact N-CD1 3.31Å; G121-W159 VanDerWaalsContact N-NE1 3.2Å; I124-W159 HydrophobicContact CB-CB 4.44Å; I124-W159 VanDerWaalsContact CD1-CA 3.42Å; I124-W159 HydrophobicContact CD1-CB 3.94Å; I124-W159 HydrophobicContact CG2-CB 4.27Å; S155-W159 WeakPolarHBondContact O-CB 3.42Å; S155-W159 PolarHBondContact O-N 3.45Å; F156-W159 AromaticContact CD2-CE3 3.82Å; F156-W159 HydrophobicContact CD2-CE3 3.82Å; F156-W159 HydrophobicContact CD2-CZ3 4.11Å; F156-W159 HydrophobicContact CE2-CE3 4.04Å; F156-W159 HydrophobicContact CE2-CZ3 4Å; F156-W159 PolarHBondContact O-N 2.99Å; M157-W159 VanDerWaalsContact C-N 3.33Å; M157-W159 PolarHBondContact O-N 3.27Å; W159-A161 VanDerWaalsContact C-N 3.33Å; W159-A161 PolarHBondContact O-N 3.02Å; W159-M162 PolarHBondContact O-N 2.9Å; W159-A163 WeakPolarHBondContact O-CB 3.34Å; W159-A163 PolarHBondContact O-N 3.09Å |
| 160 | R | 95.8 | Very high | 85.2 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.008 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 179.6 | -61.6 | -37.3 | -53.7 | 144.9 | 15.1 | 112 | A108 F111 G112 M113 P115 L116 F156 M157 G164 | A108-R160 HydrophobicContact CB-CG 4.23Å; F111-R160 HydrophobicContact CB-CB 3.97Å; F111-R160 HydrophobicContact CD2-CB 4.49Å; G112-R160 VanDerWaalsContact O-CZ 3.23Å; G112-R160 PolarHBondContact O-NE 3.24Å; G112-R160 PolarHBondContact O-NH2 3.21Å; M113-R160 VanDerWaalsContact CA-NH2 3.27Å; M113-R160 PolarHBondContact O-NH2 3.25Å; M113-R160 HydrophobicContact SD-CG 4.4Å; P115-R160 PolarHBondContact O-NH1 3.23Å; P115-R160 PolarHBondContact O-NH2 3.39Å; L116-R160 PolarHBondContact O-NH1 3.08Å; F156-R160 HydrophobicContact CD1-CG 4.19Å; F156-R160 HydrophobicContact CE1-CG 3.83Å; F156-R160 HydrophobicContact CE2-CG 4.32Å; F156-R160 HydrophobicContact CZ-CG 3.91Å; F156-R160 WeakPolarHBondContact O-CG 3.33Å; F156-R160 PolarHBondContact O-N 3.41Å; M157-R160 PolarHBondContact O-N 3.27Å; R160-G164 PolarHBondContact O-N 3.07Å |
| 161 | A | 94.9 | Very high | 83.1 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 3% | 0.025 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.5 | -50 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F111 M157 G158 W159 A163 G164 A183 | F111-A161 HydrophobicContact CD2-CB 3.67Å; F111-A161 HydrophobicContact CE2-CB 3.7Å; F111-A161 HydrophobicContact CG-CB 4.3Å; F111-A161 HydrophobicContact CZ-CB 4.34Å; M157-A161 PolarHBondContact O-N 3.1Å; G158-A161 PolarHBondContact O-N 3.28Å; W159-A161 VanDerWaalsContact C-N 3.33Å; W159-A161 PolarHBondContact O-N 3.02Å; A161-A163 PolarHBondContact O-N 3.4Å; A161-G164 PolarHBondContact O-N 3.13Å; A161-A183 HydrophobicContact CB-CB 3.53Å |
| 162 | M | 93.8 | Very high | 81.3 | Confident | 66 Ų | 66 | 54.3 Ų | 54.3 | 33% | 0.325 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -73 | -27.4 | -177.6 | -67.4 | -63.1 | -70.7 | 0 | 0 | 113.4 | T120 I124 G158 W159 G164 L165 | T120-M162 HydrophobicContact CG2-CB 3.8Å; I124-M162 HydrophobicContact CD1-CB 4.04Å; I124-M162 HydrophobicContact CD1-CG 4.16Å; G158-M162 WeakPolarHBondContact O-CB 3.22Å; G158-M162 VanDerWaalsContact O-CG 3.24Å; G158-M162 WeakPolarHBondContact O-CG 3.41Å; G158-M162 PolarHBondContact O-N 3.33Å; W159-M162 PolarHBondContact O-N 2.9Å; M162-G164 VanDerWaalsContact C-N 3.26Å; M162-G164 PolarHBondContact O-N 3.46Å; M162-L165 HydrophobicContact CE-CD2 4.18Å; M162-L165 WeakPolarHBondContact O-CB 3.4Å; M162-L165 PolarHBondContact O-N 3.12Å; M162-L165 HydrophobicContact SD-CD2 4.4Å |
| 163 | A | 90.8 | Very high | 80.2 | Confident | 5 Ų | 5 | 57.2 Ų | 57.2 | 4% | 0.041 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.2 | -30.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | P115 A117 W159 A161 L165 | P115-A163 WeakPolarHBondContact CG-O 3.34Å; A117-A163 HydrophobicContact CB-CB 3.66Å; W159-A163 WeakPolarHBondContact O-CB 3.34Å; W159-A163 PolarHBondContact O-N 3.09Å; A161-A163 PolarHBondContact O-N 3.4Å; A163-L165 VanDerWaalsContact C-N 3.27Å |
| 164 | G | 82.6 | Confident | 79.4 | Confident | 21 Ų | 21 | 58.4 Ų | 58.4 | 22% | 0.216 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -69.3 | -24.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | R160 A161 M162 R166 E176 | R160-G164 PolarHBondContact O-N 3.07Å; A161-G164 PolarHBondContact O-N 3.13Å; M162-G164 VanDerWaalsContact C-N 3.26Å; M162-G164 PolarHBondContact O-N 3.46Å; G164-R166 PolarHBondContact O-N 3.47Å; G164-E176 VanDerWaalsContact O-OE2 3.13Å |
| 165 | L | 82.7 | Confident | 78.8 | Confident | 28 Ų | 28 | 58.7 Ų | 58.7 | 15% | 0.147 | 32% | 0.315 | C | S | . | . | trans | -73.8 | 107.3 | -173.8 | -168.6 | 68.2 | 0 | 0 | 0 | 112 | M162 A163 L167 E176 L177 | M162-L165 HydrophobicContact CE-CD2 4.18Å; M162-L165 WeakPolarHBondContact O-CB 3.4Å; M162-L165 PolarHBondContact O-N 3.12Å; M162-L165 HydrophobicContact SD-CD2 4.4Å; A163-L165 VanDerWaalsContact C-N 3.27Å; L165-L167 HydrophobicContact CD1-CD2 4.25Å; L165-L167 HydrophobicContact CD2-CD1 3.96Å; L165-L167 HydrophobicContact CD2-CD2 3.73Å; L165-L167 HydrophobicContact CD2-CG 3.81Å; L165-L167 HydrophobicContact CG-CD1 4.49Å; L165-L167 HydrophobicContact CG-CD2 3.78Å; L165-L167 HydrophobicContact CG-CG 3.83Å; L165-L167 PolarHBondContact O-N 2.95Å; L165-E176 HydrophobicContact CD1-CB 4Å; L165-L177 HydrophobicContact CD1-CB 4.29Å; L165-L177 HydrophobicContact CD1-CD1 4.41Å | ||
| 166 | R | 68.5 | Low | 78.3 | Confident | 160 Ų | 160 | 59.9 Ų | 59.9 | 60% | 0.604 | 32% | 0.319 | S | S | * | . | trans | -92.5 | 87.8 | 175.9 | -63.1 | -177.9 | -177.3 | -168.1 | 1.7 | 110.9 | G164 E176 | G164-R166 PolarHBondContact O-N 3.47Å; R166-E176 PolarHBondContact N-OE2 3.4Å | ||
| 167 | L | 59.7 | Low | 77.9 | Confident | 123 Ų | 123 | 58.1 Ų | 58.1 | 64% | 0.644 | 31% | 0.313 | S | S | * | . | trans | -78.3 | -21.1 | -179.6 | -67 | 177.3 | 0 | 0 | 0 | 114.4 | L165 | L165-L167 HydrophobicContact CD1-CD2 4.25Å; L165-L167 HydrophobicContact CD2-CD1 3.96Å; L165-L167 HydrophobicContact CD2-CD2 3.73Å; L165-L167 HydrophobicContact CD2-CG 3.81Å; L165-L167 HydrophobicContact CG-CD1 4.49Å; L165-L167 HydrophobicContact CG-CD2 3.78Å; L165-L167 HydrophobicContact CG-CG 3.83Å; L165-L167 PolarHBondContact O-N 2.95Å | ||
| 168 | V | 46.2 | Very low | 77.6 | Confident | 144 Ų | 144 | 58.3 Ų | 58.3 | 87% | 0.873 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -98.2 | 121.1 | -174.5 | -176.5 | 0 | 0 | 0 | 0 | 110.3 | ||
| 169 | G | 46.8 | Very low | 77.5 | Confident | 62 Ų | 62 | 58.5 Ų | 58.5 | 64% | 0.639 | 32% | 0.316 | S | S | * | . | S | Bend | trans | 89.1 | 64.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | A171 | G169-A171 PolarHBondContact O-N 3.25Š|
| 170 | A | 46.9 | Very low | 77.4 | Confident | 84 Ų | 84 | 56.5 Ų | 56.5 | 69% | 0.694 | 31% | 0.309 | S | S | * | . | S | Bend | trans | 50.3 | -6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | M1 | M1-A170 WeakPolarHBondContact CE-O 3.09Š|
| 171 | A | 54.4 | Low | 77.4 | Confident | 53 Ų | 53 | 58.6 Ų | 58.6 | 44% | 0.438 | 32% | 0.324 | S | S | . | . | trans | -112.4 | 41.9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113 | G169 R173 | G169-A171 PolarHBondContact O-N 3.25Å; A171-R173 PolarHBondContact O-N 2.95Å | ||
| 172 | W | 60.3 | Low | 77.6 | Confident | 139 Ų | 139 | 58.4 Ų | 58.4 | 53% | 0.527 | 32% | 0.323 | S | S | . | . | trans | -70.2 | 120.8 | 170 | 59.8 | -51.6 | 0 | 0 | 0 | 109.4 | L177 | W172-L177 HydrophobicContact CE3-CB 4.4Å; W172-L177 HydrophobicContact CE3-CD1 4.14Å; W172-L177 HydrophobicContact CE3-CD2 3.92Å; W172-L177 HydrophobicContact CE3-CG 4.37Å; W172-L177 HydrophobicContact CZ3-CD1 4.11Å; W172-L177 HydrophobicContact CZ3-CD2 3.44Å; W172-L177 VanDerWaalsContact CZ3-CD2 3.44Å; W172-L177 HydrophobicContact CZ3-CG 4.27Å | ||
| 173 | R | 75.6 | Confident | 77.8 | Confident | 122 Ų | 122 | 55.3 Ų | 55.3 | 46% | 0.46 | 31% | 0.307 | S | S | . | . | trans | -85.6 | 137.7 | 175.3 | -65.6 | -179.7 | 64.7 | -179.5 | -0.1 | 109.4 | A171 T175 E176 L177 E226 | A171-R173 PolarHBondContact O-N 2.95Å; R173-T175 PolarHBondContact O-N 3.32Å; R173-T175 VanDerWaalsContact O-N 3.16Å; R173-E176 HydrophobicContact CB-CG 4.15Å; R173-E176 PolarHBondContact O-N 3.36Å; R173-L177 PolarHBondContact O-N 2.89Å; R173-L177 VanDerWaalsContact O-N 3.15Å; R173-E226 PolarHBondContact NH2-O 2.96Å | ||
| 174 | W | 80.9 | Confident | 78.1 | Confident | 69 Ų | 69 | 59.7 Ų | 59.7 | 26% | 0.261 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -51.8 | -38.5 | 175.7 | 177.5 | -104.4 | 0 | 0 | 0 | 112.6 | P4 V7 E176 L177 A178 | P4-W174 HydrophobicContact CB-CE3 3.95Å; P4-W174 HydrophobicContact CB-CZ3 3.95Å; P4-W174 HydrophobicContact CG-CE3 4.02Å; P4-W174 HydrophobicContact CG-CZ3 4.31Å; V7-W174 HydrophobicContact CG2-CG 4.29Å; W174-E176 PolarHBondContact O-N 3.2Å; W174-L177 HydrophobicContact CE3-CD2 4.18Å; W174-L177 HydrophobicContact CZ3-CD2 4.16Å; W174-L177 PolarHBondContact O-N 3.43Å; W174-A178 VanDerWaalsContact O-CB 3.32Å; W174-A178 WeakPolarHBondContact O-CB 3.13Å; W174-A178 PolarHBondContact O-N 3.48Å |
| 175 | T | 85.3 | Confident | 78.9 | Confident | 16 Ų | 16 | 61 Ų | 61 | 10% | 0.098 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.1 | -42.4 | 175.9 | 52 | 0 | 0 | 0 | 0 | 113.7 | R173 A178 A179 S223 E226 | R173-T175 PolarHBondContact O-N 3.32Å; R173-T175 VanDerWaalsContact O-N 3.16Å; T175-A178 PolarHBondContact O-N 3.33Å; T175-A179 WeakPolarHBondContact O-CB 3.41Å; T175-A179 PolarHBondContact O-N 3.11Å; T175-S223 VanDerWaalsContact O-CB 3.27Å; T175-S223 WeakPolarHBondContact O-CB 3.4Å; T175-E226 HydrophobicContact CG2-CB 3.41Å; T175-E226 VanDerWaalsContact CG2-CB 3.41Å; T175-E226 HydrophobicContact CG2-CG 4Å |
| 176 | E | 88.4 | Confident | 79.6 | Confident | 37 Ų | 37 | 59.6 Ų | 59.6 | 17% | 0.173 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -70.3 | -40.8 | -179.2 | -66.7 | 169.1 | -171.3 | 0 | 0 | 110.4 | G164 L165 R166 R173 W174 A179 G180 | G164-E176 VanDerWaalsContact O-OE2 3.13Å; L165-E176 HydrophobicContact CD1-CB 4Å; R166-E176 PolarHBondContact N-OE2 3.4Å; R173-E176 HydrophobicContact CB-CG 4.15Å; R173-E176 PolarHBondContact O-N 3.36Å; W174-E176 PolarHBondContact O-N 3.2Å; E176-A179 PolarHBondContact O-N 3.17Å; E176-G180 PolarHBondContact O-N 3.22Å |
| 177 | L | 89.9 | Confident | 81.1 | Confident | 40 Ų | 40 | 54.1 Ų | 54.1 | 21% | 0.209 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 174.4 | -176 | 75.6 | 0 | 0 | 0 | 111.5 | L165 W172 R173 W174 G180 S181 | L165-L177 HydrophobicContact CD1-CB 4.29Å; L165-L177 HydrophobicContact CD1-CD1 4.41Å; W172-L177 HydrophobicContact CE3-CB 4.4Å; W172-L177 HydrophobicContact CE3-CD1 4.14Å; W172-L177 HydrophobicContact CE3-CD2 3.92Å; W172-L177 HydrophobicContact CE3-CG 4.37Å; W172-L177 HydrophobicContact CZ3-CD1 4.11Å; W172-L177 HydrophobicContact CZ3-CD2 3.44Å; W172-L177 VanDerWaalsContact CZ3-CD2 3.44Å; W172-L177 HydrophobicContact CZ3-CG 4.27Å; R173-L177 PolarHBondContact O-N 2.89Å; R173-L177 VanDerWaalsContact O-N 3.15Å; W174-L177 HydrophobicContact CE3-CD2 4.18Å; W174-L177 HydrophobicContact CZ3-CD2 4.16Å; W174-L177 PolarHBondContact O-N 3.43Å; L177-G180 PolarHBondContact O-N 3.08Å; L177-S181 WeakPolarHBondContact O-CB 3.38Å; L177-S181 PolarHBondContact O-N 2.87Å; L177-S181 PolarHBondContact O-OG 3.37Å |
| 178 | A | 92.3 | Very high | 82.9 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 3% | 0.025 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | W174 T175 G182 L219 | W174-A178 VanDerWaalsContact O-CB 3.32Å; W174-A178 WeakPolarHBondContact O-CB 3.13Å; W174-A178 PolarHBondContact O-N 3.48Å; T175-A178 PolarHBondContact O-N 3.33Å; A178-G182 PolarHBondContact O-N 2.98Å; A178-L219 HydrophobicContact CB-CD2 4.39Å; A178-L219 WeakPolarHBondContact CB-O 3.41Å; A178-L219 WeakPolarHBondContact O-CB 3.35Å |
| 179 | A | 94.5 | Very high | 85.4 | Confident | 7 Ų | 7 | 44.8 Ų | 44.8 | 6% | 0.058 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.2 | -50.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F111 T175 E176 G182 A183 | F111-A179 HydrophobicContact CD1-CB 4.06Å; F111-A179 HydrophobicContact CE1-CB 3.63Å; F111-A179 HydrophobicContact CZ-CB 4.13Å; T175-A179 WeakPolarHBondContact O-CB 3.41Å; T175-A179 PolarHBondContact O-N 3.11Å; E176-A179 PolarHBondContact O-N 3.17Å; A179-G182 PolarHBondContact O-N 2.9Å; A179-A183 WeakPolarHBondContact O-CB 3.39Å; A179-A183 PolarHBondContact O-N 3.4Å |
| 180 | G | 95.2 | Very high | 87.8 | Confident | 3 Ų | 3 | 42.5 Ų | 42.5 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.2 | -46.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | E176 L177 A183 L184 | E176-G180 PolarHBondContact O-N 3.22Å; L177-G180 PolarHBondContact O-N 3.08Å; G180-A183 PolarHBondContact O-N 2.97Å; G180-L184 PolarHBondContact O-N 3.12Å |
| 181 | S | 96.4 | Very high | 90.2 | Very high | 45 Ų | 45 | 41 Ų | 41 | 32% | 0.315 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.9 | -40.1 | 178 | -54.3 | 0 | 0 | 0 | 0 | 111.4 | L177 L184 L185 | L177-S181 WeakPolarHBondContact O-CB 3.38Å; L177-S181 PolarHBondContact O-N 2.87Å; L177-S181 PolarHBondContact O-OG 3.37Å; S181-L184 PolarHBondContact O-N 2.61Å; S181-L185 WeakPolarHBondContact O-CG 3.42Å; S181-L185 PolarHBondContact O-N 3.31Å |
| 182 | G | 97.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64 | -46.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A178 A179 L184 L185 F186 A216 | A178-G182 PolarHBondContact O-N 2.98Å; A179-G182 PolarHBondContact O-N 2.9Å; G182-L184 VanDerWaalsContact C-N 3.35Å; G182-L184 PolarHBondContact O-N 2.95Å; G182-L185 PolarHBondContact O-N 2.85Å; G182-F186 PolarHBondContact O-N 3.13Å; G182-A216 WeakPolarHBondContact O-CB 3.34Å |
| 183 | A | 98 | Very high | 94 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.5 | -41.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | M157 A161 A179 G180 F186 I187 | M157-A183 HydrophobicContact CE-CB 4.2Å; M157-A183 HydrophobicContact SD-CB 3.5Å; M157-A183 WeakPolarHBondContact SD-CB 3.47Å; A161-A183 HydrophobicContact CB-CB 3.53Å; A179-A183 WeakPolarHBondContact O-CB 3.39Å; A179-A183 PolarHBondContact O-N 3.4Å; G180-A183 PolarHBondContact O-N 2.97Å; A183-F186 PolarHBondContact O-N 3.25Å; A183-I187 WeakPolarHBondContact O-CG1 3.36Å; A183-I187 PolarHBondContact O-N 3.19Å |
| 184 | L | 98 | Very high | 95.1 | Very high | 98 Ų | 98 | 29 Ų | 29 | 51% | 0.513 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -62.8 | -45.7 | 176.5 | -179.5 | 62 | 0 | 0 | 0 | 111.9 | G180 S181 G182 F186 I187 I188 | G180-L184 PolarHBondContact O-N 3.12Å; S181-L184 PolarHBondContact O-N 2.61Å; G182-L184 VanDerWaalsContact C-N 3.35Å; G182-L184 PolarHBondContact O-N 2.95Å; L184-F186 VanDerWaalsContact C-N 3.29Å; L184-F186 PolarHBondContact O-N 3.47Å; L184-I187 PolarHBondContact O-N 3.39Å; L184-I188 HydrophobicContact CD1-CD1 4.43Å; L184-I188 HydrophobicContact CG-CD1 4.13Å; L184-I188 WeakPolarHBondContact O-CG1 3.48Å; L184-I188 PolarHBondContact O-N 3.4Å |
| 185 | L | 98.7 | Very high | 95.8 | Very high | 47 Ų | 47 | 27.1 Ų | 27.1 | 25% | 0.246 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.1 | -34.8 | 177.1 | -73.3 | 171 | 0 | 0 | 0 | 112.2 | S181 G182 I188 S189 T212 A215 A216 L219 | S181-L185 WeakPolarHBondContact O-CG 3.42Å; S181-L185 PolarHBondContact O-N 3.31Å; G182-L185 PolarHBondContact O-N 2.85Å; L185-I188 PolarHBondContact O-N 3.16Å; L185-S189 PolarHBondContact O-N 3.36Å; L185-T212 HydrophobicContact CD2-CG2 4.22Å; L185-A215 HydrophobicContact CD1-CB 3.86Å; L185-A216 HydrophobicContact CB-CB 3.78Å; L185-L219 HydrophobicContact CD1-CD1 3.71Å |
| 186 | F | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.1 | -46.4 | 174 | -146.6 | -43.8 | 0 | 0 | 0 | 110.8 | F100 H104 Y107 I154 M157 G182 A183 L184 I188 S189 D190 Y213 A216 Q217 I220 | F100-F186 HydrophobicContact CD1-CE1 4.11Å; F100-F186 AromaticContact CD1-CZ 3.72Å; F100-F186 HydrophobicContact CD1-CZ 3.72Å; F100-F186 HydrophobicContact CE1-CE1 4.33Å; F100-F186 AromaticContact CE1-CZ 3.89Å; F100-F186 HydrophobicContact CE1-CZ 3.89Å; H104-F186 AromaticContact CE1-CD1 3.67Å; H104-F186 AromaticContact CE1-CE1 3.48Å; H104-F186 VanDerWaalsContact CE1-CE1 3.48Å; H104-F186 WeakPolarHBondContact CE1-CE1 3.32Å; H104-F186 AromaticContact CE1-CE2 4Å; H104-F186 AromaticContact CE1-CZ 3.66Å; Y107-F186 HydrophobicContact CE2-CE2 4.12Å; I154-F186 HydrophobicContact CD1-CD1 4.24Å; M157-F186 HydrophobicContact CE-CB 4.24Å; G182-F186 PolarHBondContact O-N 3.13Å; A183-F186 PolarHBondContact O-N 3.25Å; L184-F186 VanDerWaalsContact C-N 3.29Å; L184-F186 PolarHBondContact O-N 3.47Å; F186-I188 VanDerWaalsContact C-N 3.27Å; F186-I188 PolarHBondContact O-N 3.02Å; F186-S189 WeakPolarHBondContact O-CB 3.24Å; F186-S189 PolarHBondContact O-N 3.3Å; F186-D190 WeakPolarHBondContact CE1-OD1 3.49Å; F186-D190 PolarHBondContact O-N 2.83Å; F186-Y213 HydrophobicContact CE1-CD2 4.13Å; F186-Y213 HydrophobicContact CE1-CE2 4.24Å; F186-Y213 HydrophobicContact CE2-CD2 4.39Å; F186-Y213 HydrophobicContact CE2-CE2 4.15Å; F186-Y213 AromaticContact CZ-CD2 4Å; F186-Y213 HydrophobicContact CZ-CD2 4Å; F186-Y213 AromaticContact CZ-CE2 3.72Å; F186-Y213 HydrophobicContact CZ-CE2 3.72Å; F186-A216 HydrophobicContact CB-CB 3.88Å; F186-A216 HydrophobicContact CD2-CB 4.26Å; F186-A216 HydrophobicContact CG-CB 4.29Å; F186-Q217 HydrophobicContact CE2-CG 4.45Å; F186-Q217 VanDerWaalsContact CE2-NE2 3.31Å; F186-I220 HydrophobicContact CD2-CD1 4.06Å |
| 187 | I | 98.5 | Very high | 96.6 | Very high | 45 Ų | 45 | 31 Ų | 31 | 23% | 0.231 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.5 | -42.4 | 175.8 | -70.3 | 164.6 | 0 | 0 | 0 | 111.1 | I154 A183 L184 D190 L191 | I154-I187 HydrophobicContact CD1-CG1 3.98Å; I154-I187 HydrophobicContact CG1-CG1 3.8Å; A183-I187 WeakPolarHBondContact O-CG1 3.36Å; A183-I187 PolarHBondContact O-N 3.19Å; L184-I187 PolarHBondContact O-N 3.39Å; I187-D190 PolarHBondContact O-N 3.25Å; I187-L191 WeakPolarHBondContact O-CB 3.42Å; I187-L191 PolarHBondContact O-N 2.83Å |
| 188 | I | 98.3 | Very high | 96.9 | Very high | 70 Ų | 70 | 30.9 Ų | 30.9 | 36% | 0.359 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -64.5 | -44.2 | 177.8 | -67.1 | 165.3 | 0 | 0 | 0 | 111.3 | L184 L185 F186 D190 T192 T212 | L184-I188 HydrophobicContact CD1-CD1 4.43Å; L184-I188 HydrophobicContact CG-CD1 4.13Å; L184-I188 WeakPolarHBondContact O-CG1 3.48Å; L184-I188 PolarHBondContact O-N 3.4Å; L185-I188 PolarHBondContact O-N 3.16Å; F186-I188 VanDerWaalsContact C-N 3.27Å; F186-I188 PolarHBondContact O-N 3.02Å; I188-D190 PolarHBondContact O-N 3.4Å; I188-T192 WeakPolarHBondContact O-CB 3.47Å; I188-T192 PolarHBondContact O-N 2.89Å; I188-T192 PolarHBondContact O-OG1 3.48Å; I188-T212 HydrophobicContact CG2-CG2 4.09Å |
| 189 | S | 98.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.007 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -54 | -53.7 | 174.5 | 167.8 | 0 | 0 | 0 | 0 | 111.1 | L185 F186 T192 I193 T212 | L185-S189 PolarHBondContact O-N 3.36Å; F186-S189 WeakPolarHBondContact O-CB 3.24Å; F186-S189 PolarHBondContact O-N 3.3Å; S189-T192 WeakPolarHBondContact O-CA 3.39Å; S189-T192 WeakPolarHBondContact O-CB 3.42Å; S189-T192 PolarHBondContact O-N 3.5Å; S189-T192 VanDerWaalsContact O-N 3.12Å; S189-I193 PolarHBondContact O-N 2.92Å; S189-T212 WeakPolarHBondContact CA-OG1 3.47Å; S189-T212 WeakPolarHBondContact CB-OG1 3.34Å |
| 190 | D | 97.9 | Very high | 97 | Very high | 14 Ų | 14 | 38 Ų | 38 | 8% | 0.075 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -74.2 | -34 | -172.3 | -76.1 | 17.8 | 0 | 0 | 0 | 112.6 | H104 Y150 I154 F186 I187 I188 T192 I193 A194 | H104-D190 IonicContact NE2-OD2 3.46Å; Y150-D190 HydrophobicContact CE1-CB 4.34Å; Y150-D190 WeakPolarHBondContact CE1-OD2 3.49Å; Y150-D190 VanDerWaalsContact CZ-OD2 3.3Å; Y150-D190 PolarHBondContact OH-OD2 2.97Å; I154-D190 HydrophobicContact CD1-CB 3.77Å; I154-D190 WeakPolarHBondContact CD1-OD2 3.42Å; F186-D190 WeakPolarHBondContact CE1-OD1 3.49Å; F186-D190 PolarHBondContact O-N 2.83Å; I187-D190 PolarHBondContact O-N 3.25Å; I188-D190 PolarHBondContact O-N 3.4Å; D190-T192 VanDerWaalsContact C-N 3.25Å; D190-T192 PolarHBondContact O-N 2.85Å; D190-I193 WeakPolarHBondContact O-CB 3.4Å; D190-I193 PolarHBondContact O-N 3.32Å; D190-A194 WeakPolarHBondContact O-CB 3.5Å; D190-A194 PolarHBondContact O-N 3.24Å |
| 191 | L | 97.5 | Very high | 97 | Very high | 52 Ų | 52 | 43.1 Ų | 43.1 | 27% | 0.272 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.2 | -40.8 | 169.5 | -179.1 | 60 | 0 | 0 | 0 | 110.4 | C131 I187 A194 L195 | C131-L191 HydrophobicContact CB-CD1 4.32Å; I187-L191 WeakPolarHBondContact O-CB 3.42Å; I187-L191 PolarHBondContact O-N 2.83Å; L191-A194 PolarHBondContact O-N 3.07Å; L191-L195 HydrophobicContact CD1-CD1 4.31Å; L191-L195 HydrophobicContact CD1-CG 4.17Å; L191-L195 HydrophobicContact CG-CD1 4.02Å; L191-L195 HydrophobicContact CG-CG 4.34Å; L191-L195 WeakPolarHBondContact O-CB 3.47Å; L191-L195 VanDerWaalsContact O-CG 3.23Å; L191-L195 WeakPolarHBondContact O-CG 3.37Å; L191-L195 PolarHBondContact O-N 3.45Å |
| 192 | T | 97.9 | Very high | 97 | Very high | 17 Ų | 17 | 42.1 Ų | 42.1 | 10% | 0.104 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.6 | -39.5 | 176.3 | -52.9 | 0 | 0 | 0 | 0 | 111.6 | I188 S189 D190 N196 V202 L208 I209 | I188-T192 WeakPolarHBondContact O-CB 3.47Å; I188-T192 PolarHBondContact O-N 2.89Å; I188-T192 PolarHBondContact O-OG1 3.48Å; S189-T192 WeakPolarHBondContact O-CA 3.39Å; S189-T192 WeakPolarHBondContact O-CB 3.42Å; S189-T192 PolarHBondContact O-N 3.5Å; S189-T192 VanDerWaalsContact O-N 3.12Å; D190-T192 VanDerWaalsContact C-N 3.25Å; D190-T192 PolarHBondContact O-N 2.85Å; T192-N196 VanDerWaalsContact O-CB 3.24Å; T192-N196 WeakPolarHBondContact O-CB 3.41Å; T192-N196 PolarHBondContact O-N 3.32Å; T192-V202 HydrophobicContact CG2-CG1 4.12Å; T192-L208 HydrophobicContact CG2-CB 4.32Å; T192-I209 HydrophobicContact CG2-CD1 4.18Å; T192-I209 HydrophobicContact CG2-CG1 3.7Å |
| 193 | I | 96.7 | Very high | 96.8 | Very high | 31 Ų | 31 | 46.6 Ų | 46.6 | 16% | 0.159 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59 | -50.9 | 171.9 | -66.5 | 170.7 | 0 | 0 | 0 | 110.2 | L85 F93 S189 D190 N196 K197 I209 | L85-I193 HydrophobicContact CD1-CD1 4.38Å; F93-I193 HydrophobicContact CE2-CG2 4.11Å; S189-I193 PolarHBondContact O-N 2.92Å; D190-I193 WeakPolarHBondContact O-CB 3.4Å; D190-I193 PolarHBondContact O-N 3.32Å; I193-N196 PolarHBondContact O-N 2.99Å; I193-K197 WeakPolarHBondContact O-CB 3.37Å; I193-K197 PolarHBondContact O-N 3.43Å; I193-I209 HydrophobicContact CB-CD1 4.47Å; I193-I209 HydrophobicContact CD1-CG2 3.87Å; I193-I209 HydrophobicContact CG1-CB 4.49Å; I193-I209 HydrophobicContact CG1-CD1 3.62Å; I193-I209 HydrophobicContact CG1-CG1 3.84Å; I193-I209 HydrophobicContact CG1-CG2 3.78Å |
| 194 | A | 96.9 | Very high | 96.6 | Very high | 14 Ų | 14 | 56 Ų | 56 | 12% | 0.116 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.7 | -45.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L135 D190 L191 N196 K197 F198 | L135-A194 HydrophobicContact CD1-CB 3.81Å; L135-A194 HydrophobicContact CD2-CB 3.77Å; L135-A194 HydrophobicContact CG-CB 4.48Å; D190-A194 WeakPolarHBondContact O-CB 3.5Å; D190-A194 PolarHBondContact O-N 3.24Å; L191-A194 PolarHBondContact O-N 3.07Å; A194-N196 PolarHBondContact O-N 3.49Å; A194-K197 PolarHBondContact O-N 3.25Å; A194-F198 HydrophobicContact CB-CD2 4.43Å; A194-F198 WeakPolarHBondContact O-CB 3.45Å; A194-F198 WeakPolarHBondContact O-CD2 3.49Å; A194-F198 PolarHBondContact O-N 3.12Å |
| 195 | L | 97.3 | Very high | 96.4 | Very high | 29 Ų | 29 | 52.5 Ų | 52.5 | 15% | 0.152 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.9 | -48.7 | 175.6 | -71.6 | 172.7 | 0 | 0 | 0 | 111.5 | L134 L135 L191 K197 C199 F200 V202 | L134-L195 HydrophobicContact CD2-CD2 3.27Å; L135-L195 HydrophobicContact CD2-CD2 4.02Å; L135-L195 HydrophobicContact CD2-CG 4.42Å; L191-L195 HydrophobicContact CD1-CD1 4.31Å; L191-L195 HydrophobicContact CD1-CG 4.17Å; L191-L195 HydrophobicContact CG-CD1 4.02Å; L191-L195 HydrophobicContact CG-CG 4.34Å; L191-L195 WeakPolarHBondContact O-CB 3.47Å; L191-L195 VanDerWaalsContact O-CG 3.23Å; L191-L195 WeakPolarHBondContact O-CG 3.37Å; L191-L195 PolarHBondContact O-N 3.45Å; L195-K197 VanDerWaalsContact C-N 3.28Å; L195-K197 PolarHBondContact O-N 2.86Å; L195-C199 HydrophobicContact CD2-CB 4.34Å; L195-C199 WeakPolarHBondContact O-CB 3.49Å; L195-C199 PolarHBondContact O-N 2.74Å; L195-F200 CarbonylContact C-O 3.59Å; L195-F200 HydrophobicContact CD2-CE1 4.11Å; L195-F200 HydrophobicContact CD2-CZ 4.17Å; L195-F200 PolarHBondContact O-N 2.94Å; L195-V202 HydrophobicContact CB-CG2 3.98Å |
| 196 | N | 96.5 | Very high | 96.2 | Very high | 59 Ų | 59 | 52.5 Ų | 52.5 | 32% | 0.316 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.7 | -31.8 | -179 | -171.9 | 84.1 | 0 | 0 | 0 | 112.9 | T192 I193 A194 F200 V202 S205 | T192-N196 VanDerWaalsContact O-CB 3.24Å; T192-N196 WeakPolarHBondContact O-CB 3.41Å; T192-N196 PolarHBondContact O-N 3.32Å; I193-N196 PolarHBondContact O-N 2.99Å; A194-N196 PolarHBondContact O-N 3.49Å; N196-F200 VanDerWaalsContact CA-O 3.3Å; N196-F200 WeakPolarHBondContact CA-O 3.47Å; N196-V202 HydrophobicContact CB-CB 4.21Å; N196-V202 HydrophobicContact CB-CG2 4.05Å; N196-V202 PolarHBondContact OD1-N 3.01Å; N196-S205 WeakPolarHBondContact OD1-CB 3.32Å; N196-S205 PolarHBondContact OD1-OG 3.47Å |
| 197 | K | 94.3 | Very high | 96.1 | Very high | 77 Ų | 77 | 54 Ų | 54 | 34% | 0.335 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -83.6 | -42.9 | -178.7 | -168.6 | 79.2 | 177.3 | -179.5 | 0 | 112.6 | D89 F93 I193 A194 L195 | D89-K197 IonicContact OD1-NZ 3.8Å; D89-K197 PolarHBondContact OD1-NZ 3.36Å; F93-K197 HydrophobicContact CE2-CG 4.49Å; F93-K197 HydrophobicContact CZ-CG 4.46Å; I193-K197 WeakPolarHBondContact O-CB 3.37Å; I193-K197 PolarHBondContact O-N 3.43Å; A194-K197 PolarHBondContact O-N 3.25Å; L195-K197 VanDerWaalsContact C-N 3.28Å; L195-K197 PolarHBondContact O-N 2.86Å |
| 198 | F | 95.6 | Very high | 96.1 | Very high | 36 Ų | 36 | 55.9 Ų | 55.9 | 16% | 0.158 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -111.3 | -22.1 | -165.9 | -61.3 | -67.5 | 0 | 0 | 0 | 114.7 | F93 G138 L139 F143 V147 A194 | F93-F198 HydrophobicContact CE1-CE2 4.17Å; F93-F198 AromaticContact CE1-CZ 3.81Å; F93-F198 HydrophobicContact CE1-CZ 3.81Å; F93-F198 HydrophobicContact CZ-CE2 4.12Å; F93-F198 HydrophobicContact CZ-CZ 4.18Å; G138-F198 VanDerWaalsContact CA-O 3.29Å; G138-F198 WeakPolarHBondContact CA-O 3.48Å; L139-F198 HydrophobicContact CD2-CB 4.06Å; L139-F198 HydrophobicContact CD2-CD1 3.75Å; L139-F198 HydrophobicContact CD2-CD2 3.88Å; L139-F198 HydrophobicContact CD2-CE1 4.13Å; L139-F198 HydrophobicContact CD2-CE2 4.25Å; L139-F198 HydrophobicContact CD2-CG 3.62Å; L139-F198 HydrophobicContact CD2-CZ 4.37Å; F143-F198 HydrophobicContact CB-CE1 4.23Å; F143-F198 HydrophobicContact CD1-CE1 4.16Å; F143-F198 AromaticContact CD1-CZ 3.89Å; F143-F198 HydrophobicContact CD1-CZ 3.89Å; F143-F198 HydrophobicContact CD2-CE1 4.42Å; F143-F198 HydrophobicContact CE1-CZ 4.39Å; F143-F198 HydrophobicContact CG-CE1 4.01Å; F143-F198 HydrophobicContact CG-CZ 4.2Å; V147-F198 HydrophobicContact CG2-CE2 3.87Å; V147-F198 HydrophobicContact CG2-CZ 4.09Å; A194-F198 HydrophobicContact CB-CD2 4.43Å; A194-F198 WeakPolarHBondContact O-CB 3.45Å; A194-F198 WeakPolarHBondContact O-CD2 3.49Å; A194-F198 PolarHBondContact O-N 3.12Å |
| 199 | C | 95.2 | Very high | 96 | Very high | 49 Ų | 49 | 53.6 Ų | 53.6 | 33% | 0.331 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -63.6 | -172.9 | -60.2 | 0 | 0 | 0 | 0 | 112.4 | L195 | L195-C199 HydrophobicContact CD2-CB 4.34Å; L195-C199 WeakPolarHBondContact O-CB 3.49Å; L195-C199 PolarHBondContact O-N 2.74Å |
| 200 | F | 94 | Very high | 96 | Very high | 110 Ų | 110 | 53.8 Ų | 53.8 | 48% | 0.482 | 28% | 0.283 | S | S | . | . | trans | -158.3 | 149.5 | -175.2 | 52.7 | -95.7 | 0 | 0 | 0 | 110.7 | L195 N196 V202 | L195-F200 CarbonylContact C-O 3.59Å; L195-F200 HydrophobicContact CD2-CE1 4.11Å; L195-F200 HydrophobicContact CD2-CZ 4.17Å; L195-F200 PolarHBondContact O-N 2.94Å; N196-F200 VanDerWaalsContact CA-O 3.3Å; N196-F200 WeakPolarHBondContact CA-O 3.47Å; F200-V202 HydrophobicContact CD2-CG2 4.12Å; F200-V202 HydrophobicContact CE2-CG2 3.86Å; F200-V202 PolarHBondContact O-N 3.46Å | ||
| 201 | P | 94.8 | Very high | 96 | Very high | 112 Ų | 112 | 55.8 Ų | 55.8 | 73% | 0.727 | 30% | 0.298 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 121.7 | 176.4 | 26.4 | -33.9 | 0 | 0 | 0 | 110.1 | ||
| 202 | V | 95.6 | Very high | 96 | Very high | 24 Ų | 24 | 54.3 Ų | 54.3 | 15% | 0.145 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -89.4 | 122.9 | 178.7 | 176.5 | 0 | 0 | 0 | 0 | 108.6 | T192 L195 N196 F200 Y204 S205 L208 | T192-V202 HydrophobicContact CG2-CG1 4.12Å; L195-V202 HydrophobicContact CB-CG2 3.98Å; N196-V202 HydrophobicContact CB-CB 4.21Å; N196-V202 HydrophobicContact CB-CG2 4.05Å; N196-V202 PolarHBondContact OD1-N 3.01Å; F200-V202 HydrophobicContact CD2-CG2 4.12Å; F200-V202 HydrophobicContact CE2-CG2 3.86Å; F200-V202 PolarHBondContact O-N 3.46Å; V202-Y204 PolarHBondContact O-N 2.82Å; V202-S205 VanDerWaalsContact O-CB 3.28Å; V202-S205 WeakPolarHBondContact O-CB 3.33Å; V202-S205 PolarHBondContact O-N 3.05Å; V202-S205 VanDerWaalsContact O-N 3.14Å; V202-L208 HydrophobicContact CG1-CD1 4.28Å |
| 203 | P | 94.2 | Very high | 96.1 | Very high | 94 Ų | 94 | 53.7 Ų | 53.7 | 61% | 0.61 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 133.6 | 176.2 | -24.8 | 34.2 | 0 | 0 | 0 | 111.3 | S205 | P203-S205 PolarHBondContact O-N 2.99Å; P203-S205 VanDerWaalsContact O-N 3.11Å |
| 204 | Y | 93.5 | Very high | 96.1 | Very high | 198 Ų | 198 | 52.4 Ų | 52.4 | 78% | 0.776 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 25.2 | -179.5 | -47 | -76.6 | 0 | 0 | 0 | 114.4 | V202 R206 A207 L208 | V202-Y204 PolarHBondContact O-N 2.82Å; Y204-R206 VanDerWaalsContact C-N 3.28Å; Y204-R206 PolarHBondContact O-N 2.77Å; Y204-R206 VanDerWaalsContact O-N 3.15Å; Y204-A207 PolarHBondContact O-N 3.22Å; Y204-L208 PolarHBondContact O-N 3.15Å |
| 205 | S | 94.8 | Very high | 96.2 | Very high | 23 Ų | 23 | 53.3 Ų | 53.3 | 16% | 0.161 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -47 | -48.1 | -176.3 | 56.5 | 0 | 0 | 0 | 0 | 113.1 | N196 V202 P203 A207 L208 I209 | N196-S205 WeakPolarHBondContact OD1-CB 3.32Å; N196-S205 PolarHBondContact OD1-OG 3.47Å; V202-S205 VanDerWaalsContact O-CB 3.28Å; V202-S205 WeakPolarHBondContact O-CB 3.33Å; V202-S205 PolarHBondContact O-N 3.05Å; V202-S205 VanDerWaalsContact O-N 3.14Å; P203-S205 PolarHBondContact O-N 2.99Å; P203-S205 VanDerWaalsContact O-N 3.11Å; S205-A207 VanDerWaalsContact C-N 3.32Å; S205-A207 PolarHBondContact O-N 3.3Å; S205-L208 PolarHBondContact O-N 3.41Å; S205-I209 WeakPolarHBondContact O-CB 3.34Å; S205-I209 WeakPolarHBondContact O-CD1 3.32Å; S205-I209 WeakPolarHBondContact O-CG1 3.15Å; S205-I209 PolarHBondContact O-N 3.01Å |
| 206 | R | 94.7 | Very high | 96.3 | Very high | 47 Ų | 47 | 51.9 Ų | 51.9 | 18% | 0.177 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56 | -42.5 | 178.7 | -175.6 | -179.3 | 175.1 | -177.7 | 0.5 | 113.1 | Y25 W29 L30 S32 Y204 M210 | Y25-R206 PolarHBondContact OH-NE 2.86Å; Y25-R206 PolarHBondContact OH-NH2 2.87Å; W29-R206 HydrophobicContact CH2-CB 4.16Å; W29-R206 HydrophobicContact CH2-CG 3.85Å; W29-R206 HydrophobicContact CZ2-CB 4.26Å; W29-R206 HydrophobicContact CZ2-CG 4.15Å; W29-R206 HydrophobicContact CZ3-CG 4.47Å; L30-R206 PolarHBondContact O-NH1 3.36Å; L30-R206 PolarHBondContact O-NH2 3.49Å; S32-R206 PolarHBondContact OG-NH1 2.88Å; Y204-R206 VanDerWaalsContact C-N 3.28Å; Y204-R206 PolarHBondContact O-N 2.77Å; Y204-R206 VanDerWaalsContact O-N 3.15Å; R206-M210 HydrophobicContact CG-CG 4.36Å; R206-M210 WeakPolarHBondContact O-CB 3.43Å; R206-M210 WeakPolarHBondContact O-CG 3.4Å; R206-M210 PolarHBondContact O-N 3.43Å |
| 207 | A | 95.8 | Very high | 96.4 | Very high | 33 Ų | 33 | 49.1 Ų | 49.1 | 27% | 0.273 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -69.2 | -43.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | W29 Y204 S205 S211 | W29-A207 HydrophobicContact CH2-CB 3.85Å; Y204-A207 PolarHBondContact O-N 3.22Å; S205-A207 VanDerWaalsContact C-N 3.32Å; S205-A207 PolarHBondContact O-N 3.3Å; A207-S211 VanDerWaalsContact O-CB 3.23Å; A207-S211 WeakPolarHBondContact O-CB 3.46Å; A207-S211 PolarHBondContact O-N 3.04Å; A207-S211 PolarHBondContact O-OG 3.06Å |
| 208 | L | 97.4 | Very high | 96.5 | Very high | 83 Ų | 83 | 46.9 Ų | 46.9 | 44% | 0.435 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.5 | -50.5 | 177.7 | -66.3 | 175.1 | 0 | 0 | 0 | 111.5 | T192 V202 Y204 S205 S211 T212 | T192-L208 HydrophobicContact CG2-CB 4.32Å; V202-L208 HydrophobicContact CG1-CD1 4.28Å; Y204-L208 PolarHBondContact O-N 3.15Å; S205-L208 PolarHBondContact O-N 3.41Å; L208-S211 PolarHBondContact O-OG 3.09Å; L208-S211 VanDerWaalsContact O-OG 3.09Å; L208-T212 WeakPolarHBondContact O-CB 3.38Å; L208-T212 WeakPolarHBondContact O-CG2 3.41Å; L208-T212 PolarHBondContact O-N 3Å; L208-T212 VanDerWaalsContact O-N 3.09Å; L208-T212 PolarHBondContact O-OG1 3.44Å |
| 209 | I | 97.8 | Very high | 96.6 | Very high | 22 Ų | 22 | 46.6 Ų | 46.6 | 11% | 0.113 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56 | -57.3 | 177.7 | -67.5 | 161 | 0 | 0 | 0 | 109.8 | T192 I193 S205 S211 T212 Y213 | T192-I209 HydrophobicContact CG2-CD1 4.18Å; T192-I209 HydrophobicContact CG2-CG1 3.7Å; I193-I209 HydrophobicContact CB-CD1 4.47Å; I193-I209 HydrophobicContact CD1-CG2 3.87Å; I193-I209 HydrophobicContact CG1-CB 4.49Å; I193-I209 HydrophobicContact CG1-CD1 3.62Å; I193-I209 HydrophobicContact CG1-CG1 3.84Å; I193-I209 HydrophobicContact CG1-CG2 3.78Å; S205-I209 WeakPolarHBondContact O-CB 3.34Å; S205-I209 WeakPolarHBondContact O-CD1 3.32Å; S205-I209 WeakPolarHBondContact O-CG1 3.15Å; S205-I209 PolarHBondContact O-N 3.01Å; I209-S211 PolarHBondContact O-N 3.34Å; I209-T212 PolarHBondContact O-N 3.45Å; I209-T212 PolarHBondContact O-OG1 2.89Å; I209-T212 VanDerWaalsContact O-OG1 3.04Å; I209-Y213 WeakPolarHBondContact O-CB 3.29Å; I209-Y213 PolarHBondContact O-N 3.42Å |
| 210 | M | 97.6 | Very high | 96.7 | Very high | 6 Ų | 6 | 44.2 Ų | 44.2 | 3% | 0.03 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.4 | -32.9 | -171.5 | -61.5 | -58.3 | -51.4 | 0 | 0 | 113.2 | Y25 F26 K43 R206 Y213 Y214 | Y25-M210 HydrophobicContact CE1-CB 3.82Å; Y25-M210 HydrophobicContact CE1-CE 4.12Å; Y25-M210 HydrophobicContact CE1-CG 3.64Å; Y25-M210 HydrophobicContact CE2-CE 4.14Å; Y25-M210 WeakPolarHBondContact OH-CG 3.4Å; F26-M210 HydrophobicContact CE1-CB 4.47Å; F26-M210 HydrophobicContact CZ-CB 3.86Å; K43-M210 HydrophobicContact CD-CE 4.43Å; K43-M210 HydrophobicContact CG-CE 3.86Å; R206-M210 HydrophobicContact CG-CG 4.36Å; R206-M210 WeakPolarHBondContact O-CB 3.43Å; R206-M210 WeakPolarHBondContact O-CG 3.4Å; R206-M210 PolarHBondContact O-N 3.43Å; M210-Y213 HydrophobicContact CE-CD1 3.99Å; M210-Y213 HydrophobicContact CE-CE1 4.42Å; M210-Y214 HydrophobicContact CB-CE2 4.34Å; M210-Y214 HydrophobicContact CE-CD1 4.36Å; M210-Y214 HydrophobicContact CE-CD2 4.26Å; M210-Y214 HydrophobicContact CE-CE1 3.59Å; M210-Y214 HydrophobicContact CE-CE2 3.47Å; M210-Y214 VanDerWaalsContact CE-CE2 3.47Å; M210-Y214 WeakPolarHBondContact CE-OH 3.4Å; M210-Y214 WeakPolarHBondContact O-CB 3.45Å; M210-Y214 VanDerWaalsContact O-CD2 3.22Å; M210-Y214 WeakPolarHBondContact O-CD2 3.49Å; M210-Y214 PolarHBondContact O-N 3.27Å |
| 211 | S | 97.6 | Very high | 96.7 | Very high | 56 Ų | 56 | 39 Ų | 39 | 39% | 0.392 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -69.2 | -47.5 | 177.5 | 56.8 | 0 | 0 | 0 | 0 | 111.5 | A207 L208 I209 A215 | A207-S211 VanDerWaalsContact O-CB 3.23Å; A207-S211 WeakPolarHBondContact O-CB 3.46Å; A207-S211 PolarHBondContact O-N 3.04Å; A207-S211 PolarHBondContact O-OG 3.06Å; L208-S211 PolarHBondContact O-OG 3.09Å; L208-S211 VanDerWaalsContact O-OG 3.09Å; I209-S211 PolarHBondContact O-N 3.34Å; S211-A215 VanDerWaalsContact O-CB 3.26Å; S211-A215 WeakPolarHBondContact O-CB 3.37Å; S211-A215 PolarHBondContact O-N 3.25Å; S211-A215 VanDerWaalsContact O-N 3.13Å |
| 212 | T | 98.4 | Very high | 96.6 | Very high | 21 Ų | 21 | 34.4 Ų | 34.4 | 13% | 0.129 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66 | -41.9 | 176.4 | 55.2 | 0 | 0 | 0 | 0 | 111.8 | L185 I188 S189 L208 I209 A215 A216 | L185-T212 HydrophobicContact CD2-CG2 4.22Å; I188-T212 HydrophobicContact CG2-CG2 4.09Å; S189-T212 WeakPolarHBondContact CA-OG1 3.47Å; S189-T212 WeakPolarHBondContact CB-OG1 3.34Å; L208-T212 WeakPolarHBondContact O-CB 3.38Å; L208-T212 WeakPolarHBondContact O-CG2 3.41Å; L208-T212 PolarHBondContact O-N 3Å; L208-T212 VanDerWaalsContact O-N 3.09Å; L208-T212 PolarHBondContact O-OG1 3.44Å; I209-T212 PolarHBondContact O-N 3.45Å; I209-T212 PolarHBondContact O-OG1 2.89Å; I209-T212 VanDerWaalsContact O-OG1 3.04Å; T212-A215 PolarHBondContact O-N 3.23Å; T212-A216 VanDerWaalsContact O-CB 3.24Å; T212-A216 WeakPolarHBondContact O-CB 3.47Å; T212-A216 PolarHBondContact O-N 3.03Å |
| 213 | Y | 98.6 | Very high | 96.5 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.2 | -50.4 | 177.9 | 170.8 | -117.4 | 0 | 0 | 0 | 113.4 | I47 S78 D82 F100 F186 I209 M210 A215 A216 Q217 | I47-Y213 HydrophobicContact CD1-CE1 3.86Å; I47-Y213 HydrophobicContact CG1-CE1 4.21Å; S78-Y213 PolarHBondContact OG-OH 2.91Å; D82-Y213 VanDerWaalsContact CG-OH 3.3Å; D82-Y213 WeakPolarHBondContact OD2-CE1 3.23Å; D82-Y213 VanDerWaalsContact OD2-CZ 3.26Å; D82-Y213 PolarHBondContact OD2-OH 2.97Å; F100-Y213 AromaticContact CE1-CE2 3.87Å; F100-Y213 HydrophobicContact CE1-CE2 3.87Å; F100-Y213 HydrophobicContact CZ-CE2 4.44Å; F186-Y213 HydrophobicContact CE1-CD2 4.13Å; F186-Y213 HydrophobicContact CE1-CE2 4.24Å; F186-Y213 HydrophobicContact CE2-CD2 4.39Å; F186-Y213 HydrophobicContact CE2-CE2 4.15Å; F186-Y213 AromaticContact CZ-CD2 4Å; F186-Y213 HydrophobicContact CZ-CD2 4Å; F186-Y213 AromaticContact CZ-CE2 3.72Å; F186-Y213 HydrophobicContact CZ-CE2 3.72Å; I209-Y213 WeakPolarHBondContact O-CB 3.29Å; I209-Y213 PolarHBondContact O-N 3.42Å; M210-Y213 HydrophobicContact CE-CD1 3.99Å; M210-Y213 HydrophobicContact CE-CE1 4.42Å; Y213-A215 VanDerWaalsContact C-N 3.32Å; Y213-A215 PolarHBondContact O-N 3.09Å; Y213-A216 WeakPolarHBondContact O-CB 3.36Å; Y213-A216 PolarHBondContact O-N 3.48Å; Y213-Q217 HydrophobicContact CD2-CG 4Å; Y213-Q217 HydrophobicContact CE2-CG 3.55Å; Y213-Q217 WeakPolarHBondContact O-CG 3.43Å; Y213-Q217 PolarHBondContact O-N 3.47Å |
| 214 | Y | 98.6 | Very high | 96.2 | Very high | 3 Ų | 3 | 30 Ų | 30 | 1% | 0.012 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.3 | -37.8 | 179.3 | -69.7 | -33 | 0 | 0 | 0 | 111.7 | F18 T22 Y25 F26 K43 P46 I47 M210 A216 Q217 M218 | F18-Y214 WeakPolarHBondContact CZ-O 3.41Å; T22-Y214 HydrophobicContact CG2-CD2 3.87Å; Y25-Y214 AromaticContact CD1-CE2 3.88Å; Y25-Y214 HydrophobicContact CD1-CE2 3.88Å; Y25-Y214 HydrophobicContact CD2-CE2 4.49Å; Y25-Y214 WeakPolarHBondContact CD2-OH 3.3Å; Y25-Y214 HydrophobicContact CE1-CE2 4.43Å; Y25-Y214 AromaticContact CG-CE2 3.94Å; Y25-Y214 HydrophobicContact CG-CE2 3.94Å; F26-Y214 HydrophobicContact CE2-CD2 4.2Å; F26-Y214 HydrophobicContact CE2-CE2 4.5Å; K43-Y214 PolarHBondContact O-OH 3.4Å; P46-Y214 HydrophobicContact CB-CD1 3.95Å; P46-Y214 HydrophobicContact CB-CE1 3.79Å; P46-Y214 HydrophobicContact CB-CE2 4.48Å; P46-Y214 HydrophobicContact CB-CG 4.37Å; P46-Y214 HydrophobicContact CG-CD1 4.36Å; P46-Y214 HydrophobicContact CG-CD2 4.46Å; P46-Y214 HydrophobicContact CG-CE1 3.82Å; P46-Y214 HydrophobicContact CG-CE2 3.92Å; I47-Y214 HydrophobicContact CD1-CD1 3.95Å; I47-Y214 HydrophobicContact CD1-CE1 4.11Å; I47-Y214 HydrophobicContact CG1-CE1 4.38Å; M210-Y214 HydrophobicContact CB-CE2 4.34Å; M210-Y214 HydrophobicContact CE-CD1 4.36Å; M210-Y214 HydrophobicContact CE-CD2 4.26Å; M210-Y214 HydrophobicContact CE-CE1 3.59Å; M210-Y214 HydrophobicContact CE-CE2 3.47Å; M210-Y214 VanDerWaalsContact CE-CE2 3.47Å; M210-Y214 WeakPolarHBondContact CE-OH 3.4Å; M210-Y214 WeakPolarHBondContact O-CB 3.45Å; M210-Y214 VanDerWaalsContact O-CD2 3.22Å; M210-Y214 WeakPolarHBondContact O-CD2 3.49Å; M210-Y214 PolarHBondContact O-N 3.27Å; Y214-A216 VanDerWaalsContact C-N 3.35Å; Y214-Q217 PolarHBondContact O-N 3.43Å; Y214-M218 WeakPolarHBondContact O-CB 3.37Å; Y214-M218 PolarHBondContact O-N 3.4Å |
| 215 | A | 98.4 | Very high | 95.7 | Very high | 33 Ų | 33 | 20.9 Ų | 20.9 | 27% | 0.273 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -62.6 | -42.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L185 S211 T212 Y213 Q217 M218 L219 | L185-A215 HydrophobicContact CD1-CB 3.86Å; S211-A215 VanDerWaalsContact O-CB 3.26Å; S211-A215 WeakPolarHBondContact O-CB 3.37Å; S211-A215 PolarHBondContact O-N 3.25Å; S211-A215 VanDerWaalsContact O-N 3.13Å; T212-A215 PolarHBondContact O-N 3.23Å; Y213-A215 VanDerWaalsContact C-N 3.32Å; Y213-A215 PolarHBondContact O-N 3.09Å; A215-Q217 PolarHBondContact O-N 3.18Å; A215-M218 PolarHBondContact O-N 2.87Å; A215-L219 WeakPolarHBondContact O-CB 3.41Å; A215-L219 VanDerWaalsContact O-CG 3.26Å; A215-L219 WeakPolarHBondContact O-CG 3.25Å; A215-L219 PolarHBondContact O-N 3.2Å |
| 216 | A | 98.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -56.5 | -51.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | G182 L185 F186 T212 Y213 Y214 M218 L219 I220 | G182-A216 WeakPolarHBondContact O-CB 3.34Å; L185-A216 HydrophobicContact CB-CB 3.78Å; F186-A216 HydrophobicContact CB-CB 3.88Å; F186-A216 HydrophobicContact CD2-CB 4.26Å; F186-A216 HydrophobicContact CG-CB 4.29Å; T212-A216 VanDerWaalsContact O-CB 3.24Å; T212-A216 WeakPolarHBondContact O-CB 3.47Å; T212-A216 PolarHBondContact O-N 3.03Å; Y213-A216 WeakPolarHBondContact O-CB 3.36Å; Y213-A216 PolarHBondContact O-N 3.48Å; Y214-A216 VanDerWaalsContact C-N 3.35Å; A216-M218 PolarHBondContact O-N 2.84Å; A216-L219 PolarHBondContact O-N 3.46Å; A216-I220 VanDerWaalsContact O-CG1 3.31Å; A216-I220 WeakPolarHBondContact O-CG1 3.42Å; A216-I220 PolarHBondContact O-N 2.97Å |
| 217 | Q | 98.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.9 | -41.3 | -177.5 | -74.8 | -68.9 | 10.3 | 0 | 0 | 112.9 | I47 L50 L75 S78 Y107 F186 Y213 Y214 A215 I220 A221 | I47-Q217 HydrophobicContact CD1-CB 3.82Å; I47-Q217 HydrophobicContact CD1-CG 3.7Å; L50-Q217 VanDerWaalsContact CD1-C 3.48Å; L50-Q217 HydrophobicContact CD1-CB 3.67Å; L75-Q217 HydrophobicContact CD2-CB 4.49Å; S78-Q217 PolarHBondContact OG-NE2 2.88Å; Y107-Q217 PolarHBondContact OH-NE2 3.12Å; Y107-Q217 PolarHBondContact OH-OE1 3.16Å; F186-Q217 HydrophobicContact CE2-CG 4.45Å; F186-Q217 VanDerWaalsContact CE2-NE2 3.31Å; Y213-Q217 HydrophobicContact CD2-CG 4Å; Y213-Q217 HydrophobicContact CE2-CG 3.55Å; Y213-Q217 WeakPolarHBondContact O-CG 3.43Å; Y213-Q217 PolarHBondContact O-N 3.47Å; Y214-Q217 PolarHBondContact O-N 3.43Å; A215-Q217 PolarHBondContact O-N 3.18Å; Q217-I220 PolarHBondContact O-N 3.31Å; Q217-A221 WeakPolarHBondContact O-CB 3.42Å; Q217-A221 PolarHBondContact O-N 2.92Å |
| 218 | M | 97.8 | Very high | 89.6 | Confident | 30 Ų | 30 | 27.7 Ų | 27.7 | 15% | 0.148 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.3 | -45.9 | 174.7 | -178.8 | -169.6 | 67.6 | 0 | 0 | 111.6 | L15 F18 F19 L50 Y214 A215 A216 A221 L222 | L15-M218 HydrophobicContact CD1-CG 4.26Å; L15-M218 HydrophobicContact CD1-SD 4.26Å; L15-M218 HydrophobicContact CD2-CG 4.33Å; F18-M218 HydrophobicContact CD1-CB 4.46Å; F18-M218 HydrophobicContact CD1-CG 4.24Å; F18-M218 HydrophobicContact CD1-SD 4.01Å; F18-M218 HydrophobicContact CE1-CB 3.75Å; F18-M218 HydrophobicContact CE1-CG 3.88Å; F18-M218 HydrophobicContact CE1-SD 3.59Å; F18-M218 VanDerWaalsContact CE1-SD 3.59Å; F18-M218 HydrophobicContact CE2-CB 4.47Å; F18-M218 HydrophobicContact CZ-CB 3.75Å; F18-M218 HydrophobicContact CZ-CG 4.38Å; F18-M218 HydrophobicContact CZ-SD 4.49Å; F19-M218 HydrophobicContact CE1-SD 3.9Å; F19-M218 HydrophobicContact CE2-SD 4.38Å; F19-M218 HydrophobicContact CZ-SD 3.53Å; F19-M218 VanDerWaalsContact CZ-SD 3.53Å; L50-M218 HydrophobicContact CD1-CB 4.45Å; L50-M218 HydrophobicContact CD2-CB 4.26Å; L50-M218 HydrophobicContact CD2-CG 4.34Å; Y214-M218 WeakPolarHBondContact O-CB 3.37Å; Y214-M218 PolarHBondContact O-N 3.4Å; A215-M218 PolarHBondContact O-N 2.87Å; A216-M218 PolarHBondContact O-N 2.84Å; M218-A221 PolarHBondContact O-N 3.4Å; M218-L222 HydrophobicContact CG-CD1 4.11Å; M218-L222 WeakPolarHBondContact O-CB 3.47Å; M218-L222 WeakPolarHBondContact O-CG 3.42Å; M218-L222 PolarHBondContact O-N 3.26Å |
| 219 | L | 96.8 | Very high | 86.8 | Confident | 30 Ų | 30 | 29.4 Ų | 29.4 | 16% | 0.157 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.2 | -38.4 | -179.1 | -71.2 | 169.1 | 0 | 0 | 0 | 112 | A178 L185 A215 A216 L222 S223 | A178-L219 HydrophobicContact CB-CD2 4.39Å; A178-L219 WeakPolarHBondContact CB-O 3.41Å; A178-L219 WeakPolarHBondContact O-CB 3.35Å; L185-L219 HydrophobicContact CD1-CD1 3.71Å; A215-L219 WeakPolarHBondContact O-CB 3.41Å; A215-L219 VanDerWaalsContact O-CG 3.26Å; A215-L219 WeakPolarHBondContact O-CG 3.25Å; A215-L219 PolarHBondContact O-N 3.2Å; A216-L219 PolarHBondContact O-N 3.46Å; L219-L222 PolarHBondContact O-N 3.13Å; L219-S223 PolarHBondContact O-N 3.29Å |
| 220 | I | 96.6 | Very high | 84.2 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.2 | -43.5 | 173.6 | -67 | 170.7 | 0 | 0 | 0 | 110.4 | I71 Y107 F111 F186 A216 Q217 L222 S223 | I71-I220 HydrophobicContact CD1-CG2 4.34Å; I71-I220 HydrophobicContact CG1-CG2 4.22Å; I71-I220 HydrophobicContact CG2-CG2 4.04Å; Y107-I220 HydrophobicContact CD1-CG2 4.25Å; Y107-I220 HydrophobicContact CD2-CD1 3.79Å; Y107-I220 HydrophobicContact CD2-CG2 4.05Å; Y107-I220 HydrophobicContact CE1-CG2 4.21Å; Y107-I220 HydrophobicContact CE2-CD1 3.86Å; Y107-I220 HydrophobicContact CE2-CG2 3.98Å; Y107-I220 HydrophobicContact CG-CG2 4.19Å; F111-I220 HydrophobicContact CZ-CG1 4.32Å; F111-I220 HydrophobicContact CZ-CG2 4.16Å; F186-I220 HydrophobicContact CD2-CD1 4.06Å; A216-I220 VanDerWaalsContact O-CG1 3.31Å; A216-I220 WeakPolarHBondContact O-CG1 3.42Å; A216-I220 PolarHBondContact O-N 2.97Å; Q217-I220 PolarHBondContact O-N 3.31Å; I220-L222 PolarHBondContact O-N 3.13Å; I220-S223 WeakPolarHBondContact O-CB 3.32Å; I220-S223 PolarHBondContact O-N 2.87Å; I220-S223 PolarHBondContact O-OG 3.37Å |
| 221 | A | 95.7 | Very high | 81.6 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.2 | -42.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L50 F53 L75 Q217 M218 S223 A224 | L50-A221 HydrophobicContact CB-CB 4.36Å; L50-A221 HydrophobicContact CD2-CB 4.26Å; F53-A221 HydrophobicContact CD1-CB 4.41Å; L75-A221 HydrophobicContact CD1-CB 4.45Å; Q217-A221 WeakPolarHBondContact O-CB 3.42Å; Q217-A221 PolarHBondContact O-N 2.92Å; M218-A221 PolarHBondContact O-N 3.4Å; A221-S223 VanDerWaalsContact C-N 3.29Å; A221-S223 PolarHBondContact O-N 3.5Å; A221-A224 WeakPolarHBondContact O-CB 3.39Å; A221-A224 PolarHBondContact O-N 3.17Å |
| 222 | L | 92.8 | Very high | 78.9 | Confident | 16 Ų | 16 | 39.9 Ų | 39.9 | 8% | 0.084 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.4 | -35.1 | 175.3 | -81.2 | 170 | 0 | 0 | 0 | 112.6 | E11 L15 F53 M218 L219 I220 A224 V225 | E11-L222 HydrophobicContact CB-CD2 4.07Å; E11-L222 HydrophobicContact CG-CD2 4.4Å; L15-L222 HydrophobicContact CD1-CD1 4.04Å; L15-L222 HydrophobicContact CD1-CD2 3.97Å; L15-L222 HydrophobicContact CD1-CG 4.19Å; F53-L222 HydrophobicContact CE1-CD2 4.46Å; F53-L222 HydrophobicContact CZ-CD2 3.92Å; M218-L222 HydrophobicContact CG-CD1 4.11Å; M218-L222 WeakPolarHBondContact O-CB 3.47Å; M218-L222 WeakPolarHBondContact O-CG 3.42Å; M218-L222 PolarHBondContact O-N 3.26Å; L219-L222 PolarHBondContact O-N 3.13Å; I220-L222 PolarHBondContact O-N 3.13Å; L222-A224 PolarHBondContact O-N 2.98Å; L222-A224 VanDerWaalsContact O-N 3.11Å; L222-V225 PolarHBondContact O-N 3.14Å; L222-V225 VanDerWaalsContact O-N 3.08Å |
| 223 | S | 91.8 | Very high | 76.3 | Confident | 18 Ų | 18 | 43.7 Ų | 43.7 | 13% | 0.126 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.9 | -22.5 | 177.3 | 80.7 | 0 | 0 | 0 | 0 | 113.4 | T175 L219 I220 A221 | T175-S223 VanDerWaalsContact O-CB 3.27Å; T175-S223 WeakPolarHBondContact O-CB 3.4Å; L219-S223 PolarHBondContact O-N 3.29Å; I220-S223 WeakPolarHBondContact O-CB 3.32Å; I220-S223 PolarHBondContact O-N 2.87Å; I220-S223 PolarHBondContact O-OG 3.37Å; A221-S223 VanDerWaalsContact C-N 3.29Å; A221-S223 PolarHBondContact O-N 3.5Å |
| 224 | A | 89.4 | Confident | 73.6 | Confident | 8 Ų | 8 | 51 Ų | 51 | 7% | 0.066 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -22.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L54 F61 A68 I71 A221 L222 | L54-A224 HydrophobicContact CD2-CB 4.1Å; F61-A224 WeakPolarHBondContact CZ-O 3.15Å; A68-A224 HydrophobicContact CB-CB 4.11Å; I71-A224 HydrophobicContact CD1-CB 3.79Å; A221-A224 WeakPolarHBondContact O-CB 3.39Å; A221-A224 PolarHBondContact O-N 3.17Å; L222-A224 PolarHBondContact O-N 2.98Å; L222-A224 VanDerWaalsContact O-N 3.11Å |
| 225 | V | 81.6 | Confident | 71.1 | Confident | 6 Ų | 6 | 60 Ų | 60 | 4% | 0.036 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -93.4 | -9 | -159.8 | 166.4 | 0 | 0 | 0 | 0 | 114.9 | E11 F53 L54 H57 L222 | E11-V225 HydrophobicContact CG-CG1 4.03Å; F53-V225 HydrophobicContact CE1-CG2 3.59Å; F53-V225 HydrophobicContact CZ-CB 4.34Å; F53-V225 HydrophobicContact CZ-CG1 4.32Å; F53-V225 HydrophobicContact CZ-CG2 3.78Å; L54-V225 HydrophobicContact CD2-CG2 3.67Å; H57-V225 WeakPolarHBondContact NE2-CG1 3.48Å; L222-V225 PolarHBondContact O-N 3.14Å; L222-V225 VanDerWaalsContact O-N 3.08Å |
| 226 | E | 67 | Low | 68.7 | Low | 36 Ų | 36 | 63.6 Ų | 63.6 | 17% | 0.168 | 31% | 0.306 | C | S | . | . | trans | -113.1 | 51.7 | -175.4 | 176.6 | 154.4 | -132.2 | 0 | 0 | 113.8 | V2 V7 R173 T175 R228 | V2-E226 WeakPolarHBondContact CB-OE1 3.28Å; V2-E226 VanDerWaalsContact CG1-OE1 3.29Å; V2-E226 WeakPolarHBondContact CG1-OE1 3.3Å; V2-E226 WeakPolarHBondContact CG2-OE1 3.48Å; V7-E226 WeakPolarHBondContact CG2-OE1 3.29Å; V7-E226 WeakPolarHBondContact CG2-OE2 3.3Å; R173-E226 PolarHBondContact NH2-O 2.96Å; T175-E226 HydrophobicContact CG2-CB 3.41Å; T175-E226 VanDerWaalsContact CG2-CB 3.41Å; T175-E226 HydrophobicContact CG2-CG 4Å; E226-R228 VanDerWaalsContact C-N 3.33Å | ||
| 227 | S | 50.8 | Low | 66.2 | Low | 48 Ų | 48 | 68 Ų | 68 | 34% | 0.336 | 34% | 0.336 | S | S | . | . | trans | -93.7 | 22.6 | 157.7 | 41.5 | 0 | 0 | 0 | 0 | 112.8 | E229 | S227-E229 PolarHBondContact O-N 2.97Å; S227-E229 VanDerWaalsContact O-N 3.13Å | ||
| 228 | R | 39.2 | Very low | 63.7 | Low | 162 Ų | 162 | 75.9 Ų | 75.9 | 61% | 0.611 | 37% | 0.371 | S | S | * | . | trans | -81.8 | 88.2 | 175.6 | -72.8 | -172.7 | 165.3 | -176.4 | -5.4 | 112.1 | E226 | E226-R228 VanDerWaalsContact C-N 3.33Š| ||
| 229 | E | 39.8 | Very low | 61.6 | Low | 119 Ų | 119 | 78 Ų | 78 | 56% | 0.556 | 39% | 0.393 | S | S | * | . | trans | 66.3 | 149.9 | 143.9 | -69.5 | -76.1 | 138.8 | 0 | 0 | 120.5 | S227 V231 E232 | S227-E229 PolarHBondContact O-N 2.97Å; S227-E229 VanDerWaalsContact O-N 3.13Å; E229-V231 PolarHBondContact OE2-N 3.31Å; E229-E232 PolarHBondContact OE2-N 3.05Å | ||
| 230 | P | 42 | Very low | 59 | Low | 68 Ų | 68 | 86.2 Ų | 86.2 | 44% | 0.442 | 44% | 0.437 | S | S | . | . | cis | -129.8 | 123.2 | 28.4 | 34.5 | -14.2 | 0 | 0 | 0 | 118.3 | D233 | P230-D233 HydrophobicContact CB-CB 3.45Å; P230-D233 VanDerWaalsContact CB-CB 3.45Å; P230-D233 WeakPolarHBondContact CB-OD2 3.22Å; P230-D233 HydrophobicContact CG-CB 3.66Å; P230-D233 WeakPolarHBondContact CG-OD2 3.39Å | ||
| 231 | V | 44.2 | Very low | 57.1 | Low | 97 Ų | 97 | 90.5 Ų | 90.5 | 59% | 0.588 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -89.9 | -21.6 | 150.9 | 176.9 | 0 | 0 | 0 | 0 | 109.5 | E229 R235 | E229-V231 PolarHBondContact OE2-N 3.31Å; V231-R235 PolarHBondContact O-N 3.32Å |
| 232 | E | 41.5 | Very low | 55.1 | Low | 138 Ų | 138 | 95.3 Ų | 95.3 | 65% | 0.645 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -72 | -42.6 | 174.6 | -74.1 | -175.7 | 151.7 | 0 | 0 | 113.1 | E229 Y234 R235 L236 | E229-E232 PolarHBondContact OE2-N 3.05Å; E232-Y234 VanDerWaalsContact C-N 3.31Å; E232-Y234 PolarHBondContact O-N 2.95Å; E232-R235 PolarHBondContact O-N 3.33Å; E232-R235 VanDerWaalsContact O-N 3.17Å; E232-L236 WeakPolarHBondContact O-CG 3.3Å; E232-L236 PolarHBondContact O-N 3.32Å |
| 233 | D | 42.9 | Very low | 53 | Low | 102 Ų | 102 | 99.7 Ų | 99.7 | 55% | 0.545 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68 | -27.8 | 174.9 | -63 | -30.4 | 0 | 0 | 0 | 113.1 | P230 R235 L236 S237 | P230-D233 HydrophobicContact CB-CB 3.45Å; P230-D233 VanDerWaalsContact CB-CB 3.45Å; P230-D233 WeakPolarHBondContact CB-OD2 3.22Å; P230-D233 HydrophobicContact CG-CB 3.66Å; P230-D233 WeakPolarHBondContact CG-OD2 3.39Å; D233-R235 VanDerWaalsContact C-N 3.33Å; D233-L236 PolarHBondContact O-N 3.33Å; D233-S237 WeakPolarHBondContact O-CB 3.41Å; D233-S237 PolarHBondContact O-N 3.28Å |
| 234 | Y | 42.1 | Very low | 50.7 | Low | 156 Ų | 156 | 104.5 Ų | 104.5 | 61% | 0.612 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -69.8 | -31.8 | 173.9 | -176.1 | -102.6 | 0 | 0 | 0 | 112 | E232 | E232-Y234 VanDerWaalsContact C-N 3.31Å; E232-Y234 PolarHBondContact O-N 2.95Å |
| 235 | R | 45.8 | Very low | 48.3 | Very low | 192 Ų | 192 | 110.5 Ų | 110.5 | 73% | 0.725 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -77.8 | -35.2 | 174.5 | -72.3 | -166.5 | 178.2 | -162.6 | 1.1 | 112.4 | V231 E232 D233 K238 A239 | V231-R235 PolarHBondContact O-N 3.32Å; E232-R235 PolarHBondContact O-N 3.33Å; E232-R235 VanDerWaalsContact O-N 3.17Å; D233-R235 VanDerWaalsContact C-N 3.33Å; R235-K238 PolarHBondContact O-N 3.44Å; R235-A239 WeakPolarHBondContact O-CB 3.49Å; R235-A239 PolarHBondContact O-N 3.5Å |
| 236 | L | 48.9 | Very low | 46.1 | Very low | 110 Ų | 110 | 117.5 Ų | 117.5 | 58% | 0.576 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -74.4 | -33.4 | 176.3 | -69.9 | 167.9 | 0 | 0 | 0 | 112.6 | E232 D233 K238 A239 | E232-L236 WeakPolarHBondContact O-CG 3.3Å; E232-L236 PolarHBondContact O-N 3.32Å; D233-L236 PolarHBondContact O-N 3.33Å; L236-K238 PolarHBondContact O-N 3.01Å; L236-A239 PolarHBondContact O-N 3.27Å |
| 237 | S | 45 | Very low | 44.6 | Very low | 92 Ų | 92 | 123.3 Ų | 123.3 | 64% | 0.643 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -18.3 | 173.9 | 171.2 | 0 | 0 | 0 | 0 | 114.1 | D233 | D233-S237 WeakPolarHBondContact O-CB 3.41Å; D233-S237 PolarHBondContact O-N 3.28Å |
| 238 | K | 46.9 | Very low | 44.1 | Very low | 165 Ų | 165 | 129.1 Ų | 129.1 | 72% | 0.717 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | -2.6 | 178.9 | -136.2 | -176.8 | -174.4 | -174.3 | 0 | 113 | R235 L236 | R235-K238 PolarHBondContact O-N 3.44Å; L236-K238 PolarHBondContact O-N 3.01Å |
| 239 | A | 54.1 | Low | 44.5 | Very low | 74 Ų | 74 | 126.3 Ų | 126.3 | 61% | 0.612 | 65% | 0.645 | S | S | * | * | trans | -104 | -3.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R235 L236 | R235-A239 WeakPolarHBondContact O-CB 3.49Å; R235-A239 PolarHBondContact O-N 3.5Å; L236-A239 PolarHBondContact O-N 3.27Å | ||
| 240 | N | 41.3 | Very low | 45 | Very low | 203 Ų | 203 | 127 Ų | 127 | 100% | 1.086 | 65% | 0.654 | S | S | * | * | trans | -114 | 0 | 166.7 | -72.2 | -20.9 | 0 | 0 | 0 | 109.7 |
Retrieved 240 of 240 residues in 165.5 ms
(Link to these results)