| 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 | 56 | Low | 68.4 | Low | 167 Ų | 167 | 76.7 Ų | 76.7 | 82% | 0.823 | 43% | 0.433 | S | S | * | . | 0 | 133.7 | 0 | -74.3 | -178.9 | -177.2 | 0 | 0 | 108.3 | D170 W172 | M1-D170 WeakPolarHBondContact CE-O 3.23Å; M1-W172 WeakPolarHBondContact CE-O 3.45Å | |||
| 2 | V | 58.3 | Low | 69.3 | Low | 62 Ų | 62 | 72.3 Ų | 72.3 | 38% | 0.376 | 42% | 0.416 | S | S | . | . | trans | -68.6 | 133 | 171.2 | -174.2 | 0 | 0 | 0 | 0 | 107.8 | T6 V7 | V2-T6 HydrophobicContact CG1-CG2 3.98Å; V2-V7 HydrophobicContact CG1-CG2 4.05Å | ||
| 3 | S | 67.1 | Low | 70.6 | Confident | 56 Ų | 56 | 73.3 Ų | 73.3 | 39% | 0.392 | 43% | 0.427 | S | S | . | . | trans | -75.4 | 144.9 | 178.5 | 169.9 | 0 | 0 | 0 | 0 | 110.4 | V5 T6 V7 | S3-V5 PolarHBondContact O-N 3.48Å; S3-V5 PolarHBondContact OG-N 3.04Å; S3-T6 WeakPolarHBondContact O-CA 3.34Å; S3-T6 WeakPolarHBondContact O-CB 3.5Å; S3-T6 PolarHBondContact O-N 3.1Å; S3-V7 WeakPolarHBondContact O-CG2 3.29Å; S3-V7 PolarHBondContact O-N 3.27Å | ||
| 4 | P | 67 | Low | 71.8 | Confident | 43 Ų | 43 | 74 Ų | 74 | 28% | 0.279 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -47.8 | -38.2 | 174.9 | -28.9 | 35.6 | 0 | 0 | 0 | 113.4 | T6 V7 V8 W174 | P4-T6 VanDerWaalsContact C-N 3.25Å; P4-T6 PolarHBondContact O-N 3.35Å; P4-V7 WeakPolarHBondContact O-CB 3.5Å; P4-V7 PolarHBondContact O-N 2.9Å; P4-V8 WeakPolarHBondContact O-CB 3.35Å; P4-V8 VanDerWaalsContact O-CG2 3.29Å; P4-V8 WeakPolarHBondContact O-CG2 3.18Å; P4-V8 PolarHBondContact O-N 3.28Å; P4-W174 HydrophobicContact CB-CD2 4.43Å; P4-W174 HydrophobicContact CB-CE3 4.47Å; P4-W174 HydrophobicContact CB-CH2 4.35Å; P4-W174 HydrophobicContact CB-CZ2 4.35Å; P4-W174 HydrophobicContact CB-CZ3 4.42Å; P4-W174 HydrophobicContact CG-CD2 3.61Å; P4-W174 HydrophobicContact CG-CE3 3.9Å; P4-W174 HydrophobicContact CG-CG 4.37Å; P4-W174 HydrophobicContact CG-CH2 3.34Å; P4-W174 HydrophobicContact CG-CZ2 3.03Å; P4-W174 HydrophobicContact CG-CZ3 3.77Å |
| 5 | V | 67.9 | Low | 73.1 | Confident | 86 Ų | 86 | 69.6 Ų | 69.6 | 52% | 0.521 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.7 | -35.5 | -176.4 | -179.6 | 0 | 0 | 0 | 0 | 110.4 | S3 K9 | S3-V5 PolarHBondContact O-N 3.48Å; S3-V5 PolarHBondContact OG-N 3.04Å; V5-K9 HydrophobicContact CG1-CD 4.28Å; V5-K9 WeakPolarHBondContact O-CB 3.37Å; V5-K9 VanDerWaalsContact O-CG 3.23Å; V5-K9 WeakPolarHBondContact O-CG 3.22Å; V5-K9 PolarHBondContact O-N 3.4Å; V5-K9 VanDerWaalsContact O-N 3.1Å |
| 6 | T | 67.8 | Low | 74.4 | Confident | 80 Ų | 80 | 69.3 Ų | 69.3 | 49% | 0.491 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68.6 | -43.2 | 175.9 | -50.7 | 0 | 0 | 0 | 0 | 110.6 | V2 S3 P4 K9 S10 | V2-T6 HydrophobicContact CG1-CG2 3.98Å; S3-T6 WeakPolarHBondContact O-CA 3.34Å; S3-T6 WeakPolarHBondContact O-CB 3.5Å; S3-T6 PolarHBondContact O-N 3.1Å; P4-T6 VanDerWaalsContact C-N 3.25Å; P4-T6 PolarHBondContact O-N 3.35Å; T6-K9 PolarHBondContact O-N 2.89Å; T6-S10 PolarHBondContact O-N 3.09Å; T6-S10 PolarHBondContact O-OG 2.95Å |
| 7 | V | 68.6 | Low | 75.6 | Confident | 19 Ų | 19 | 69.2 Ų | 69.2 | 12% | 0.115 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59.6 | -50.2 | 177.2 | -170.3 | 0 | 0 | 0 | 0 | 111.4 | V2 S3 P4 K9 S10 E11 E226 | V2-V7 HydrophobicContact CG1-CG2 4.05Å; S3-V7 WeakPolarHBondContact O-CG2 3.29Å; S3-V7 PolarHBondContact O-N 3.27Å; P4-V7 WeakPolarHBondContact O-CB 3.5Å; P4-V7 PolarHBondContact O-N 2.9Å; V7-K9 VanDerWaalsContact C-N 3.26Å; V7-K9 PolarHBondContact O-N 3.36Å; V7-S10 PolarHBondContact O-N 3.28Å; V7-S10 PolarHBondContact O-OG 3.22Å; V7-E11 HydrophobicContact CG1-CG 4.48Å; V7-E11 WeakPolarHBondContact O-CB 3.41Å; V7-E11 PolarHBondContact O-N 2.87Å; V7-E226 WeakPolarHBondContact CB-OE1 3.47Å; V7-E226 WeakPolarHBondContact CG1-OE1 3.45Å; V7-E226 WeakPolarHBondContact CG2-OE1 3.44Å |
| 8 | V | 72.7 | Confident | 76.8 | Confident | 102 Ų | 102 | 65.8 Ų | 65.8 | 62% | 0.618 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -63.5 | -36.6 | -179.1 | 171.6 | 0 | 0 | 0 | 0 | 110.5 | P4 G12 | P4-V8 WeakPolarHBondContact O-CB 3.35Å; P4-V8 VanDerWaalsContact O-CG2 3.29Å; P4-V8 WeakPolarHBondContact O-CG2 3.18Å; P4-V8 PolarHBondContact O-N 3.28Å; V8-G12 WeakPolarHBondContact O-CA 3.35Å; V8-G12 PolarHBondContact O-N 3.45Å |
| 9 | K | 71.3 | Confident | 77.8 | Confident | 159 Ų | 159 | 67.6 Ų | 67.6 | 69% | 0.691 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -70.9 | -36.9 | 177.3 | -76.9 | 178.8 | -180 | -174.4 | 0 | 113.1 | V5 T6 V7 P13 | V5-K9 HydrophobicContact CG1-CD 4.28Å; V5-K9 WeakPolarHBondContact O-CB 3.37Å; V5-K9 VanDerWaalsContact O-CG 3.23Å; V5-K9 WeakPolarHBondContact O-CG 3.22Å; V5-K9 PolarHBondContact O-N 3.4Å; V5-K9 VanDerWaalsContact O-N 3.1Å; T6-K9 PolarHBondContact O-N 2.89Å; V7-K9 VanDerWaalsContact C-N 3.26Å; V7-K9 PolarHBondContact O-N 3.36Å; K9-P13 WeakPolarHBondContact O-CD 3.44Å |
| 10 | S | 75.1 | Confident | 78.7 | Confident | 55 Ų | 55 | 71.3 Ų | 71.3 | 39% | 0.385 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -81.2 | -43.2 | -178.9 | 64.3 | 0 | 0 | 0 | 0 | 112.8 | T6 V7 | T6-S10 PolarHBondContact O-N 3.09Å; T6-S10 PolarHBondContact O-OG 2.95Å; V7-S10 PolarHBondContact O-N 3.28Å; V7-S10 PolarHBondContact O-OG 3.22Å |
| 11 | E | 80.9 | Confident | 79.6 | Confident | 15 Ų | 15 | 68.2 Ų | 68.2 | 7% | 0.07 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -95.6 | -23.7 | -173.6 | -59.4 | -46.2 | 123.4 | 0 | 0 | 113.5 | V7 K14 L15 F53 H57 L222 | V7-E11 HydrophobicContact CG1-CG 4.48Å; V7-E11 WeakPolarHBondContact O-CB 3.41Å; V7-E11 PolarHBondContact O-N 2.87Å; E11-K14 VanDerWaalsContact CD-NZ 3.32Å; E11-K14 PolarHBondContact O-N 3.26Å; E11-K14 IonicContact OE1-NZ 3.2Å; E11-K14 PolarHBondContact OE1-NZ 3.28Å; E11-K14 WeakPolarHBondContact OE2-CD 3.45Å; E11-K14 IonicContact OE2-NZ 3.08Å; E11-K14 PolarHBondContact OE2-NZ 3.18Å; E11-L15 PolarHBondContact O-N 2.97Å; E11-F53 HydrophobicContact CB-CE2 4.31Å; E11-F53 HydrophobicContact CB-CZ 4.42Å; E11-F53 WeakPolarHBondContact OE2-CE2 3.33Å; E11-H57 IonicContact OE1-NE2 3.08Å; E11-H57 IonicContact OE2-CE1 3.11Å; E11-H57 PolarHBondContact OE2-CE1 3.3Å; E11-H57 IonicContact OE2-NE2 3.01Å; E11-H57 PolarHBondContact OE2-NE2 3.34Å; E11-H57 VanDerWaalsContact OE2-NE2 3.08Å; E11-L222 HydrophobicContact CB-CD2 4.03Å; E11-L222 HydrophobicContact CG-CD2 4.38Å |
| 12 | G | 79.4 | Confident | 81.5 | Confident | 23 Ų | 23 | 61.3 Ų | 61.3 | 24% | 0.237 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -51.8 | -48.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | V8 K14 L15 V16 | V8-G12 WeakPolarHBondContact O-CA 3.35Å; V8-G12 PolarHBondContact O-N 3.45Å; G12-K14 VanDerWaalsContact C-N 3.26Å; G12-K14 PolarHBondContact O-N 3.5Å; G12-L15 PolarHBondContact O-N 3.19Å; G12-L15 VanDerWaalsContact O-N 3.09Å; G12-V16 PolarHBondContact O-N 3.41Å |
| 13 | P | 85.5 | Confident | 83.3 | Confident | 86 Ų | 86 | 62.1 Ų | 62.1 | 56% | 0.558 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -58.8 | -35.9 | 177.4 | -26.1 | 35.6 | 0 | 0 | 0 | 113.5 | K9 L15 V16 | K9-P13 WeakPolarHBondContact O-CD 3.44Å; P13-L15 VanDerWaalsContact C-N 3.31Å; P13-L15 PolarHBondContact O-N 3.49Å; P13-V16 WeakPolarHBondContact O-CB 3.06Å; P13-V16 WeakPolarHBondContact O-CG2 3.17Å; P13-V16 PolarHBondContact O-N 3.34Å |
| 14 | K | 87.4 | Confident | 84.7 | Confident | 83 Ų | 83 | 62.4 Ų | 62.4 | 36% | 0.361 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -74.9 | -21.2 | 179.7 | -54.9 | 178.9 | -162.8 | 148.4 | 0 | 112.5 | E11 G12 P17 F53 H57 | E11-K14 VanDerWaalsContact CD-NZ 3.32Å; E11-K14 PolarHBondContact O-N 3.26Å; E11-K14 IonicContact OE1-NZ 3.2Å; E11-K14 PolarHBondContact OE1-NZ 3.28Å; E11-K14 WeakPolarHBondContact OE2-CD 3.45Å; E11-K14 IonicContact OE2-NZ 3.08Å; E11-K14 PolarHBondContact OE2-NZ 3.18Å; G12-K14 VanDerWaalsContact C-N 3.26Å; G12-K14 PolarHBondContact O-N 3.5Å; K14-P17 WeakPolarHBondContact O-CD 2.78Å; K14-F53 HydrophobicContact CB-CD2 3.65Å; K14-F53 HydrophobicContact CB-CE2 3.85Å; K14-F53 HydrophobicContact CD-CD2 4.48Å; K14-F53 HydrophobicContact CD-CE2 4.25Å; K14-H57 PolarHBondContact NZ-CE1 3.14Å; K14-H57 PolarHBondContact NZ-NE2 3.49Å |
| 15 | L | 91.6 | Very high | 86 | Confident | 8 Ų | 8 | 60.9 Ų | 60.9 | 4% | 0.042 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -87.4 | -6.9 | 175.7 | -71.9 | 175.4 | 0 | 0 | 0 | 113.8 | E11 G12 P13 P17 F18 F19 L50 F53 M218 L222 | E11-L15 PolarHBondContact O-N 2.97Å; G12-L15 PolarHBondContact O-N 3.19Å; G12-L15 VanDerWaalsContact O-N 3.09Å; P13-L15 VanDerWaalsContact C-N 3.31Å; P13-L15 PolarHBondContact O-N 3.49Å; L15-P17 VanDerWaalsContact C-CD 3.43Å; L15-P17 VanDerWaalsContact C-N 3.33Å; L15-F18 WeakPolarHBondContact O-CB 3.44Å; L15-F18 PolarHBondContact O-N 3.29Å; L15-F19 HydrophobicContact CB-CD2 4.14Å; L15-F19 HydrophobicContact CB-CE2 3.81Å; L15-F19 VanDerWaalsContact O-CD2 3.27Å; L15-F19 WeakPolarHBondContact O-CD2 3.4Å; L15-F19 PolarHBondContact O-N 3.37Å; L15-F19 VanDerWaalsContact O-N 3.11Å; L15-L50 HydrophobicContact CD2-CD2 3.86Å; L15-F53 HydrophobicContact CD2-CD1 4.34Å; L15-F53 HydrophobicContact CD2-CD2 3.91Å; L15-F53 HydrophobicContact CD2-CE2 4.11Å; L15-F53 HydrophobicContact CD2-CG 4.04Å; L15-F53 HydrophobicContact CD2-CZ 4.42Å; L15-F53 HydrophobicContact CG-CD2 4.22Å; L15-F53 HydrophobicContact CG-CE2 4.11Å; L15-M218 HydrophobicContact CD1-CG 4.24Å; L15-M218 HydrophobicContact CD1-SD 4.3Å; L15-M218 HydrophobicContact CD2-CG 4.34Å; L15-L222 HydrophobicContact CD1-CD1 4.03Å; L15-L222 HydrophobicContact CD1-CD2 3.93Å; L15-L222 HydrophobicContact CD1-CG 4.16Å |
| 16 | V | 93.4 | Very high | 87.3 | Confident | 65 Ų | 65 | 60 Ų | 60 | 39% | 0.394 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -52 | -43.2 | 177.4 | 173.1 | 0 | 0 | 0 | 0 | 113.1 | G12 P13 F18 F19 K20 | G12-V16 PolarHBondContact O-N 3.41Å; P13-V16 WeakPolarHBondContact O-CB 3.06Å; P13-V16 WeakPolarHBondContact O-CG2 3.17Å; P13-V16 PolarHBondContact O-N 3.34Å; V16-F18 VanDerWaalsContact C-N 3.32Å; V16-F18 PolarHBondContact O-N 3.42Å; V16-F19 PolarHBondContact O-N 3.11Å; V16-K20 HydrophobicContact CG1-CD 4.16Å; V16-K20 HydrophobicContact CG1-CG 4.41Å; V16-K20 WeakPolarHBondContact O-CG 3.38Å; V16-K20 PolarHBondContact O-N 3.01Å |
| 17 | P | 96 | Very high | 88.6 | Confident | 68 Ų | 68 | 62 Ų | 62 | 44% | 0.442 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.3 | -39.7 | 176 | -23.6 | 35.3 | 0 | 0 | 0 | 113.1 | K14 L15 K20 A21 C49 | K14-P17 WeakPolarHBondContact O-CD 2.78Å; L15-P17 VanDerWaalsContact C-CD 3.43Å; L15-P17 VanDerWaalsContact C-N 3.33Å; P17-K20 PolarHBondContact O-N 3.18Å; P17-A21 WeakPolarHBondContact O-CB 3.27Å; P17-A21 PolarHBondContact O-N 3.35Å; P17-C49 HydrophobicContact CB-CB 4.33Å |
| 18 | F | 96.8 | Very high | 89.8 | Confident | 7 Ų | 7 | 64.8 Ų | 64.8 | 3% | 0.031 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.3 | -51.2 | 176.9 | 165.7 | -97.4 | 0 | 0 | 0 | 111.1 | L15 V16 K20 A21 T22 P46 C49 L50 Y214 M218 | L15-F18 WeakPolarHBondContact O-CB 3.44Å; L15-F18 PolarHBondContact O-N 3.29Å; V16-F18 VanDerWaalsContact C-N 3.32Å; V16-F18 PolarHBondContact O-N 3.42Å; F18-K20 VanDerWaalsContact C-N 3.32Å; F18-K20 PolarHBondContact O-N 3.04Å; F18-A21 PolarHBondContact O-N 3.01Å; F18-A21 VanDerWaalsContact O-N 3.16Å; F18-T22 PolarHBondContact O-N 3.45Å; F18-T22 PolarHBondContact O-OG1 3.08Å; F18-P46 HydrophobicContact CD2-CB 3.91Å; F18-P46 WeakPolarHBondContact CD2-O 3.08Å; F18-P46 HydrophobicContact CE2-CB 3.82Å; F18-C49 HydrophobicContact CB-CB 3.97Å; F18-L50 HydrophobicContact CB-CD2 4.19Å; F18-L50 HydrophobicContact CD2-CD1 4.02Å; F18-L50 HydrophobicContact CD2-CD2 3.69Å; F18-L50 HydrophobicContact CD2-CG 3.62Å; F18-L50 HydrophobicContact CE2-CD1 3.84Å; F18-L50 HydrophobicContact CE2-CD2 4.19Å; F18-L50 HydrophobicContact CE2-CG 4Å; F18-L50 HydrophobicContact CG-CD2 3.89Å; F18-L50 HydrophobicContact CG-CG 4.32Å; F18-Y214 WeakPolarHBondContact CZ-O 3.23Å; F18-M218 HydrophobicContact CD1-CB 4.49Å; F18-M218 HydrophobicContact CD1-CG 4.26Å; F18-M218 HydrophobicContact CD1-SD 4.09Å; F18-M218 HydrophobicContact CE1-CB 3.78Å; F18-M218 HydrophobicContact CE1-CG 3.9Å; F18-M218 HydrophobicContact CE1-SD 3.65Å; F18-M218 HydrophobicContact CE2-CB 4.47Å; F18-M218 HydrophobicContact CZ-CB 3.76Å; F18-M218 HydrophobicContact CZ-CG 4.39Å |
| 19 | F | 96.4 | Very high | 90.7 | Very high | 100 Ų | 100 | 65.2 Ų | 65.2 | 44% | 0.439 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.9 | -41.4 | 178.7 | -71.2 | -66.8 | 0 | 0 | 0 | 112.2 | L15 V16 T22 C23 M218 | L15-F19 HydrophobicContact CB-CD2 4.14Å; L15-F19 HydrophobicContact CB-CE2 3.81Å; L15-F19 VanDerWaalsContact O-CD2 3.27Å; L15-F19 WeakPolarHBondContact O-CD2 3.4Å; L15-F19 PolarHBondContact O-N 3.37Å; L15-F19 VanDerWaalsContact O-N 3.11Å; V16-F19 PolarHBondContact O-N 3.11Å; F19-T22 PolarHBondContact O-N 3.14Å; F19-C23 PolarHBondContact O-N 3.43Å; F19-C23 PolarHBondContact O-SG 3.2Å; F19-M218 HydrophobicContact CE1-SD 3.97Å; F19-M218 HydrophobicContact CE2-SD 4.36Å; F19-M218 HydrophobicContact CZ-SD 3.55Å; F19-M218 VanDerWaalsContact CZ-SD 3.55Å |
| 20 | K | 95.7 | Very high | 91.6 | Very high | 142 Ų | 142 | 59.5 Ų | 59.5 | 62% | 0.617 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -60 | -46.9 | 174.6 | -74.6 | -178.2 | 178.4 | -175 | 0 | 111.6 | V16 P17 F18 T22 C23 V24 | V16-K20 HydrophobicContact CG1-CD 4.16Å; V16-K20 HydrophobicContact CG1-CG 4.41Å; V16-K20 WeakPolarHBondContact O-CG 3.38Å; V16-K20 PolarHBondContact O-N 3.01Å; P17-K20 PolarHBondContact O-N 3.18Å; F18-K20 VanDerWaalsContact C-N 3.32Å; F18-K20 PolarHBondContact O-N 3.04Å; K20-T22 PolarHBondContact O-N 3.33Å; K20-C23 PolarHBondContact O-N 3.31Å; K20-V24 VanDerWaalsContact O-CG2 3.32Å; K20-V24 WeakPolarHBondContact O-CG2 3.36Å; K20-V24 PolarHBondContact O-N 2.87Å |
| 21 | A | 96.4 | Very high | 91.9 | Very high | 6 Ų | 6 | 60.2 Ų | 60.2 | 5% | 0.05 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | P17 F18 V24 Y25 L45 P46 | P17-A21 WeakPolarHBondContact O-CB 3.27Å; P17-A21 PolarHBondContact O-N 3.35Å; F18-A21 PolarHBondContact O-N 3.01Å; F18-A21 VanDerWaalsContact O-N 3.16Å; A21-V24 PolarHBondContact O-N 2.84Å; A21-Y25 PolarHBondContact O-N 2.88Å; A21-L45 HydrophobicContact CB-CB 4.34Å; A21-L45 HydrophobicContact CB-CD2 3.92Å; A21-L45 HydrophobicContact CB-CG 3.78Å; A21-P46 HydrophobicContact CB-CB 4.3Å; A21-P46 HydrophobicContact CB-CG 3.91Å |
| 22 | T | 96.3 | Very high | 91.8 | Very high | 23 Ų | 23 | 64.9 Ų | 64.9 | 14% | 0.141 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 175 | -61 | 0 | 0 | 0 | 0 | 111.2 | F18 F19 K20 V24 Y25 F26 Y214 | F18-T22 PolarHBondContact O-N 3.45Å; F18-T22 PolarHBondContact O-OG1 3.08Å; F19-T22 PolarHBondContact O-N 3.14Å; K20-T22 PolarHBondContact O-N 3.33Å; T22-V24 VanDerWaalsContact C-N 3.34Å; T22-V24 PolarHBondContact O-N 3.44Å; T22-Y25 WeakPolarHBondContact O-CB 3.33Å; T22-Y25 PolarHBondContact O-N 3.39Å; T22-F26 HydrophobicContact CG2-CD2 3.8Å; T22-F26 HydrophobicContact CG2-CE2 3.8Å; T22-F26 VanDerWaalsContact O-CD2 3.3Å; T22-F26 WeakPolarHBondContact O-CD2 3.36Å; T22-F26 PolarHBondContact O-N 2.98Å; T22-F26 VanDerWaalsContact O-N 3.08Å; T22-Y214 HydrophobicContact CG2-CD2 3.84Å; T22-Y214 HydrophobicContact CG2-CE2 4.47Å |
| 23 | C | 96.1 | Very high | 91.7 | Very high | 78 Ų | 78 | 68.9 Ų | 68.9 | 53% | 0.527 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.9 | -45.2 | 174.4 | -70.6 | 0 | 0 | 0 | 0 | 111.6 | F19 K20 Y25 F26 V27 | F19-C23 PolarHBondContact O-N 3.43Å; F19-C23 PolarHBondContact O-SG 3.2Å; K20-C23 PolarHBondContact O-N 3.31Å; C23-Y25 VanDerWaalsContact C-N 3.32Å; C23-Y25 PolarHBondContact O-N 3.41Å; C23-F26 PolarHBondContact O-N 3.08Å; C23-V27 WeakPolarHBondContact O-CB 3.42Å; C23-V27 VanDerWaalsContact O-CG2 3.23Å; C23-V27 WeakPolarHBondContact O-CG2 3.2Å; C23-V27 PolarHBondContact O-N 3.35Å |
| 24 | V | 95.9 | Very high | 91.6 | Very high | 62 Ų | 62 | 67.8 Ų | 67.8 | 38% | 0.376 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.3 | -43.9 | 176.5 | 168.8 | 0 | 0 | 0 | 0 | 111.2 | K20 A21 T22 F26 V27 L28 I42 | K20-V24 VanDerWaalsContact O-CG2 3.32Å; K20-V24 WeakPolarHBondContact O-CG2 3.36Å; K20-V24 PolarHBondContact O-N 2.87Å; A21-V24 PolarHBondContact O-N 2.84Å; T22-V24 VanDerWaalsContact C-N 3.34Å; T22-V24 PolarHBondContact O-N 3.44Å; V24-F26 PolarHBondContact O-N 2.87Å; V24-V27 PolarHBondContact O-N 3.02Å; V24-L28 HydrophobicContact CG1-CD1 3.61Å; V24-L28 HydrophobicContact CG1-CG 4.12Å; V24-L28 WeakPolarHBondContact O-CB 3.43Å; V24-L28 WeakPolarHBondContact O-CG 3.42Å; V24-L28 PolarHBondContact O-N 2.96Å; V24-I42 HydrophobicContact CG1-CD1 4.27Å |
| 25 | Y | 95.6 | Very high | 91.6 | Very high | 12 Ų | 12 | 65.8 Ų | 65.8 | 5% | 0.047 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -57.4 | -49.3 | 175.9 | 176.8 | -88.7 | 0 | 0 | 0 | 112.2 | A21 T22 C23 W29 I42 K43 R206 M210 Y214 | A21-Y25 PolarHBondContact O-N 2.88Å; T22-Y25 WeakPolarHBondContact O-CB 3.33Å; T22-Y25 PolarHBondContact O-N 3.39Å; C23-Y25 VanDerWaalsContact C-N 3.32Å; C23-Y25 PolarHBondContact O-N 3.41Å; Y25-W29 PolarHBondContact O-N 3.28Å; Y25-W29 VanDerWaalsContact O-N 3.14Å; Y25-I42 HydrophobicContact CD2-CG2 4.01Å; Y25-K43 HydrophobicContact CD2-CB 4.28Å; Y25-K43 HydrophobicContact CE2-CB 3.84Å; Y25-K43 HydrophobicContact CE2-CG 3.83Å; Y25-R206 PolarHBondContact OH-NE 3.09Å; Y25-R206 PolarHBondContact OH-NH2 3.22Å; Y25-M210 HydrophobicContact CE1-CB 3.81Å; Y25-M210 HydrophobicContact CE1-CE 4.09Å; Y25-M210 HydrophobicContact CE1-CG 3.6Å; Y25-M210 HydrophobicContact CE2-CE 4.19Å; Y25-M210 WeakPolarHBondContact OH-CG 3.36Å; Y25-Y214 AromaticContact CD1-CE2 3.9Å; Y25-Y214 HydrophobicContact CD1-CE2 3.9Å; Y25-Y214 HydrophobicContact CE1-CE2 4.44Å; Y25-Y214 HydrophobicContact CG-CE2 4.01Å |
| 26 | F | 95.3 | Very high | 91.7 | Very high | 66 Ų | 66 | 67.5 Ų | 67.5 | 29% | 0.289 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -71.5 | -33.8 | -177.9 | -82.3 | -76.8 | 0 | 0 | 0 | 113.3 | T22 C23 V24 W29 M210 A211 Y214 | T22-F26 HydrophobicContact CG2-CD2 3.8Å; T22-F26 HydrophobicContact CG2-CE2 3.8Å; T22-F26 VanDerWaalsContact O-CD2 3.3Å; T22-F26 WeakPolarHBondContact O-CD2 3.36Å; T22-F26 PolarHBondContact O-N 2.98Å; T22-F26 VanDerWaalsContact O-N 3.08Å; C23-F26 PolarHBondContact O-N 3.08Å; V24-F26 PolarHBondContact O-N 2.87Å; F26-W29 HydrophobicContact CD1-CE3 4.05Å; F26-W29 AromaticContact CD1-CZ3 3.51Å; F26-W29 HydrophobicContact CD1-CZ3 3.51Å; F26-W29 AromaticContact CE1-CZ3 3.78Å; F26-W29 HydrophobicContact CE1-CZ3 3.78Å; F26-M210 HydrophobicContact CE1-CB 4.47Å; F26-M210 HydrophobicContact CZ-CB 3.86Å; F26-A211 HydrophobicContact CZ-CB 4.11Å; F26-Y214 HydrophobicContact CE2-CD2 4.23Å |
| 27 | V | 94.9 | Very high | 91.6 | Very high | 122 Ų | 122 | 74.3 Ų | 74.3 | 74% | 0.739 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -74.8 | -44.9 | 178.8 | 169.8 | 0 | 0 | 0 | 0 | 111.5 | C23 V24 W29 | C23-V27 WeakPolarHBondContact O-CB 3.42Å; C23-V27 VanDerWaalsContact O-CG2 3.23Å; C23-V27 WeakPolarHBondContact O-CG2 3.2Å; C23-V27 PolarHBondContact O-N 3.35Å; V24-V27 PolarHBondContact O-N 3.02Å; V27-W29 VanDerWaalsContact C-N 3.3Å; V27-W29 PolarHBondContact O-N 3.49Å |
| 28 | L | 93.1 | Very high | 91.5 | Very high | 79 Ų | 79 | 76.4 Ų | 76.4 | 41% | 0.414 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -68 | -33.3 | 178.9 | -70.4 | 179.2 | 0 | 0 | 0 | 112.1 | V24 L30 I42 | V24-L28 HydrophobicContact CG1-CD1 3.61Å; V24-L28 HydrophobicContact CG1-CG 4.12Å; V24-L28 WeakPolarHBondContact O-CB 3.43Å; V24-L28 WeakPolarHBondContact O-CG 3.42Å; V24-L28 PolarHBondContact O-N 2.96Å; L28-L30 HydrophobicContact CB-CD2 4.48Å; L28-L30 HydrophobicContact CB-CG 4.23Å; L28-L30 PolarHBondContact O-N 2.9Å; L28-I42 HydrophobicContact CD1-CD1 3.92Å; L28-I42 HydrophobicContact CD1-CG1 4.16Å; L28-I42 HydrophobicContact CD1-CG2 4.23Å |
| 29 | W | 92.4 | Very high | 91.3 | Very high | 111 Ų | 111 | 76.7 Ų | 76.7 | 42% | 0.42 | 41% | 0.407 | S | S | . | . | trans | 42.6 | 42.1 | 174.3 | -158.3 | -104.4 | 0 | 0 | 0 | 114.6 | Y25 F26 V27 R206 A207 | Y25-W29 PolarHBondContact O-N 3.28Å; Y25-W29 VanDerWaalsContact O-N 3.14Å; F26-W29 HydrophobicContact CD1-CE3 4.05Å; F26-W29 AromaticContact CD1-CZ3 3.51Å; F26-W29 HydrophobicContact CD1-CZ3 3.51Å; F26-W29 AromaticContact CE1-CZ3 3.78Å; F26-W29 HydrophobicContact CE1-CZ3 3.78Å; V27-W29 VanDerWaalsContact C-N 3.3Å; V27-W29 PolarHBondContact O-N 3.49Å; W29-R206 HydrophobicContact CH2-CB 4.11Å; W29-R206 HydrophobicContact CH2-CG 3.84Å; W29-R206 HydrophobicContact CZ2-CB 4.23Å; W29-R206 HydrophobicContact CZ2-CG 4.17Å; W29-R206 HydrophobicContact CZ3-CG 4.42Å; W29-A207 HydrophobicContact CH2-CB 3.8Å | ||
| 30 | L | 88.7 | Confident | 91.2 | Very high | 38 Ų | 38 | 72.2 Ų | 72.2 | 20% | 0.199 | 39% | 0.388 | C | S | . | . | trans | -54.6 | 136.3 | -170.1 | -64.9 | 172.5 | 0 | 0 | 0 | 112 | L28 F38 I42 R206 | L28-L30 HydrophobicContact CB-CD2 4.48Å; L28-L30 HydrophobicContact CB-CG 4.23Å; L28-L30 PolarHBondContact O-N 2.9Å; L30-F38 HydrophobicContact CD1-CD1 3.69Å; L30-F38 HydrophobicContact CD1-CE1 3.81Å; L30-F38 HydrophobicContact CD2-CE1 4.39Å; L30-I42 HydrophobicContact CD1-CB 4.34Å; L30-I42 HydrophobicContact CD1-CG1 4.17Å; L30-R206 PolarHBondContact O-NH1 3.21Å; L30-R206 PolarHBondContact O-NH2 2.89Å | ||
| 31 | P | 83.1 | Confident | 91.2 | Very high | 71 Ų | 71 | 70.5 Ų | 70.5 | 46% | 0.461 | 39% | 0.385 | S | S | . | . | trans | -64.5 | 136.4 | -175.1 | 23.5 | -31.6 | 0 | 0 | 0 | 112.1 | S33 | P31-S33 VanDerWaalsContact C-N 3.26Å; P31-S33 PolarHBondContact O-N 2.84Å | ||
| 32 | T | 77.8 | Confident | 91.1 | Very high | 112 Ų | 112 | 71 Ų | 71 | 69% | 0.687 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -14 | 180 | 45.5 | 0 | 0 | 0 | 0 | 113.5 | S34 | T32-S34 VanDerWaalsContact C-N 3.28Å; T32-S34 PolarHBondContact O-N 3.27Å |
| 33 | S | 76.3 | Confident | 91.1 | Very high | 107 Ų | 107 | 70.8 Ų | 70.8 | 75% | 0.748 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -19.6 | 178.5 | 48.9 | 0 | 0 | 0 | 0 | 113.7 | P31 P35 | P31-S33 VanDerWaalsContact C-N 3.26Å; P31-S33 PolarHBondContact O-N 2.84Å; S33-P35 WeakPolarHBondContact O-CD 3.13Å |
| 34 | S | 83.4 | Confident | 91.1 | Very high | 64 Ų | 64 | 68.1 Ų | 68.1 | 45% | 0.448 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -120.6 | 78.3 | -179.6 | 58.6 | 0 | 0 | 0 | 0 | 110.5 | T32 S36 | T32-S34 VanDerWaalsContact C-N 3.28Å; T32-S34 PolarHBondContact O-N 3.27Å; S34-S36 PolarHBondContact O-N 3Å |
| 35 | P | 88.1 | Confident | 91.1 | Very high | 40 Ų | 40 | 67.9 Ų | 67.9 | 26% | 0.26 | 36% | 0.362 | S | S | . | . | trans | -63.3 | 130.7 | -179.1 | 28.2 | -35.1 | 0 | 0 | 0 | 110 | S33 I86 W87 | S33-P35 WeakPolarHBondContact O-CD 3.13Å; P35-I86 HydrophobicContact CB-CG2 3.71Å; P35-W87 HydrophobicContact CB-CG 4.26Å | ||
| 36 | S | 93.3 | Very high | 91.2 | Very high | 44 Ų | 44 | 67.3 Ų | 67.3 | 31% | 0.308 | 36% | 0.36 | S | S | . | . | trans | -145.3 | 153.4 | -176.7 | 68 | 0 | 0 | 0 | 0 | 110.9 | S34 F38 S39 A40 | S34-S36 PolarHBondContact O-N 3Å; S36-F38 PolarHBondContact O-N 3.2Å; S36-S39 WeakPolarHBondContact O-CB 3.32Å; S36-S39 PolarHBondContact O-N 3.32Å; S36-S39 PolarHBondContact OG-N 2.94Å; S36-S39 VanDerWaalsContact OG-N 3.11Å; S36-S39 PolarHBondContact OG-OG 2.91Å; S36-A40 PolarHBondContact O-N 3.4Å | ||
| 37 | W | 92.6 | Very high | 91.3 | Very high | 208 Ų | 208 | 64.2 Ų | 64.2 | 79% | 0.788 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -56.3 | -33.1 | 172.6 | -69.2 | 110.7 | 0 | 0 | 0 | 112.3 | A40 L41 W87 | W37-A40 PolarHBondContact O-N 3.45Å; W37-L41 WeakPolarHBondContact O-CB 3.22Å; W37-L41 PolarHBondContact O-N 3.49Å; W37-W87 AromaticContact CD2-CH2 3.83Å; W37-W87 HydrophobicContact CD2-CH2 3.83Å; W37-W87 HydrophobicContact CD2-CZ2 4.14Å; W37-W87 AromaticContact CE3-CH2 3.63Å; W37-W87 HydrophobicContact CE3-CH2 3.63Å; W37-W87 HydrophobicContact CE3-CZ2 4.38Å; W37-W87 HydrophobicContact CE3-CZ3 4.39Å; W37-W87 HydrophobicContact CG-CH2 4.37Å; W37-W87 HydrophobicContact CG-CZ2 4.42Å; W37-W87 HydrophobicContact CH2-CH2 4.44Å; W37-W87 AromaticContact CZ3-CH2 3.96Å; W37-W87 HydrophobicContact CZ3-CH2 3.96Å; W37-W87 HydrophobicContact CZ3-CZ3 4.34Å |
| 38 | F | 94.1 | Very high | 91.4 | Very high | 113 Ų | 113 | 63.3 Ų | 63.3 | 50% | 0.496 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65 | -44 | 173.7 | -173.6 | -111.4 | 0 | 0 | 0 | 112.1 | L30 S36 A40 L41 I42 | L30-F38 HydrophobicContact CD1-CD1 3.69Å; L30-F38 HydrophobicContact CD1-CE1 3.81Å; L30-F38 HydrophobicContact CD2-CE1 4.39Å; S36-F38 PolarHBondContact O-N 3.2Å; F38-A40 VanDerWaalsContact C-N 3.32Å; F38-A40 PolarHBondContact O-N 2.73Å; F38-L41 WeakPolarHBondContact O-CB 3.35Å; F38-L41 PolarHBondContact O-N 3.03Å; F38-I42 HydrophobicContact CD1-CG1 4.42Å; F38-I42 HydrophobicContact CE1-CG1 4.09Å; F38-I42 HydrophobicContact CE2-CD1 4.22Å; F38-I42 HydrophobicContact CE2-CG1 4.22Å; F38-I42 HydrophobicContact CZ-CD1 4.06Å; F38-I42 HydrophobicContact CZ-CG1 3.98Å; F38-I42 WeakPolarHBondContact O-CG1 3.43Å; F38-I42 PolarHBondContact O-N 3.45Å |
| 39 | S | 92.6 | Very high | 91.5 | Very high | 13 Ų | 13 | 60.5 Ų | 60.5 | 9% | 0.091 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.3 | -39 | 176.1 | -57.3 | 0 | 0 | 0 | 0 | 112.2 | S36 K43 | S36-S39 WeakPolarHBondContact O-CB 3.32Å; S36-S39 PolarHBondContact O-N 3.32Å; S36-S39 PolarHBondContact OG-N 2.94Å; S36-S39 VanDerWaalsContact OG-N 3.11Å; S36-S39 PolarHBondContact OG-OG 2.91Å; S39-K43 WeakPolarHBondContact O-CB 3.35Å; S39-K43 PolarHBondContact O-N 3.06Å |
| 40 | A | 94.3 | Very high | 91.7 | Very high | 5 Ų | 5 | 55.2 Ų | 55.2 | 4% | 0.041 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.1 | -46.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S36 W37 F38 I42 K43 C44 I86 W87 | S36-A40 PolarHBondContact O-N 3.4Å; W37-A40 PolarHBondContact O-N 3.45Å; F38-A40 VanDerWaalsContact C-N 3.32Å; F38-A40 PolarHBondContact O-N 2.73Å; A40-I42 PolarHBondContact O-N 2.84Å; A40-K43 PolarHBondContact O-N 2.92Å; A40-C44 WeakPolarHBondContact O-CB 3.48Å; A40-C44 PolarHBondContact O-N 3.4Å; A40-C44 PolarHBondContact O-SG 3.48Å; A40-I86 HydrophobicContact CB-CG1 4Å; A40-W87 HydrophobicContact CB-CH2 3.75Å; A40-W87 HydrophobicContact CB-CZ3 3.74Å |
| 41 | L | 95.1 | Very high | 91.9 | Very high | 107 Ų | 107 | 56 Ų | 56 | 56% | 0.56 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -56.6 | -49.8 | 176.9 | -177.7 | 68.4 | 0 | 0 | 0 | 111.5 | W37 F38 K43 C44 L45 | W37-L41 WeakPolarHBondContact O-CB 3.22Å; W37-L41 PolarHBondContact O-N 3.49Å; F38-L41 WeakPolarHBondContact O-CB 3.35Å; F38-L41 PolarHBondContact O-N 3.03Å; L41-K43 VanDerWaalsContact C-N 3.31Å; L41-K43 PolarHBondContact O-N 3.47Å; L41-C44 PolarHBondContact O-N 3.45Å; L41-L45 WeakPolarHBondContact O-CB 3.27Å; L41-L45 PolarHBondContact O-N 2.89Å |
| 42 | I | 94.9 | Very high | 92.4 | Very high | 16 Ų | 16 | 56.2 Ų | 56.2 | 8% | 0.082 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.3 | -37.5 | 180 | -64.7 | -61.3 | 0 | 0 | 0 | 111.5 | V24 Y25 L28 L30 F38 A40 | V24-I42 HydrophobicContact CG1-CD1 4.27Å; Y25-I42 HydrophobicContact CD2-CG2 4.01Å; L28-I42 HydrophobicContact CD1-CD1 3.92Å; L28-I42 HydrophobicContact CD1-CG1 4.16Å; L28-I42 HydrophobicContact CD1-CG2 4.23Å; L30-I42 HydrophobicContact CD1-CB 4.34Å; L30-I42 HydrophobicContact CD1-CG1 4.17Å; F38-I42 HydrophobicContact CD1-CG1 4.42Å; F38-I42 HydrophobicContact CE1-CG1 4.09Å; F38-I42 HydrophobicContact CE2-CD1 4.22Å; F38-I42 HydrophobicContact CE2-CG1 4.22Å; F38-I42 HydrophobicContact CZ-CD1 4.06Å; F38-I42 HydrophobicContact CZ-CG1 3.98Å; F38-I42 WeakPolarHBondContact O-CG1 3.43Å; F38-I42 PolarHBondContact O-N 3.45Å; A40-I42 PolarHBondContact O-N 2.84Å |
| 43 | K | 94.6 | Very high | 93.1 | Very high | 19 Ų | 19 | 51.1 Ų | 51.1 | 8% | 0.083 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.8 | -38.2 | 176.5 | -169.2 | 178.9 | 174.2 | -163.1 | 0 | 112.8 | Y25 S39 A40 L41 D82 I86 M210 Y214 | Y25-K43 HydrophobicContact CD2-CB 4.28Å; Y25-K43 HydrophobicContact CE2-CB 3.84Å; Y25-K43 HydrophobicContact CE2-CG 3.83Å; S39-K43 WeakPolarHBondContact O-CB 3.35Å; S39-K43 PolarHBondContact O-N 3.06Å; A40-K43 PolarHBondContact O-N 2.92Å; L41-K43 VanDerWaalsContact C-N 3.31Å; L41-K43 PolarHBondContact O-N 3.47Å; K43-D82 HydrophobicContact CD-CB 4.23Å; K43-D82 VanDerWaalsContact CE-OD1 3.25Å; K43-D82 WeakPolarHBondContact CE-OD1 3.43Å; K43-D82 HydrophobicContact CG-CB 4.29Å; K43-D82 PolarHBondContact NZ-O 3.23Å; K43-D82 IonicContact NZ-OD1 2.87Å; K43-I86 HydrophobicContact CB-CD1 4.34Å; K43-I86 HydrophobicContact CD-CD1 3.64Å; K43-I86 HydrophobicContact CD-CG1 4.16Å; K43-M210 HydrophobicContact CG-CE 3.91Å; K43-Y214 PolarHBondContact O-OH 3.1Å |
| 44 | C | 96.6 | Very high | 93.8 | Very high | 21 Ų | 21 | 46 Ų | 46 | 14% | 0.142 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -83.2 | -18.1 | -178.5 | -60.7 | 0 | 0 | 0 | 0 | 113.2 | A40 L41 I47 F48 A79 | A40-C44 WeakPolarHBondContact O-CB 3.48Å; A40-C44 PolarHBondContact O-N 3.4Å; A40-C44 PolarHBondContact O-SG 3.48Å; L41-C44 PolarHBondContact O-N 3.45Å; C44-I47 PolarHBondContact O-N 3.08Å; C44-I47 VanDerWaalsContact O-N 3.08Å; C44-F48 PolarHBondContact O-N 3.3Å; C44-A79 HydrophobicContact CB-CB 4.28Å; C44-A79 PolarHBondContact SG-O 2.9Å |
| 45 | L | 96.1 | Very high | 94.1 | Very high | 58 Ų | 58 | 45.9 Ų | 45.9 | 30% | 0.304 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -55.9 | -44.2 | -174.1 | -172.6 | 66.9 | 0 | 0 | 0 | 114 | A21 L41 I47 F48 C49 | A21-L45 HydrophobicContact CB-CB 4.34Å; A21-L45 HydrophobicContact CB-CD2 3.92Å; A21-L45 HydrophobicContact CB-CG 3.78Å; L41-L45 WeakPolarHBondContact O-CB 3.27Å; L41-L45 PolarHBondContact O-N 2.89Å; L45-I47 VanDerWaalsContact C-N 3.31Å; L45-I47 PolarHBondContact O-N 3.34Å; L45-F48 WeakPolarHBondContact O-CB 3.49Å; L45-F48 PolarHBondContact O-N 3.3Å; L45-C49 PolarHBondContact O-N 3.23Å; L45-C49 PolarHBondContact O-SG 3.28Å; L45-C49 VanDerWaalsContact O-SG 3.32Å |
| 46 | P | 97.7 | Very high | 94 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.1 | -41.4 | 176.1 | -25.9 | 38 | 0 | 0 | 0 | 112.3 | F18 A21 F48 C49 L50 Y214 | F18-P46 HydrophobicContact CD2-CB 3.91Å; F18-P46 WeakPolarHBondContact CD2-O 3.08Å; F18-P46 HydrophobicContact CE2-CB 3.82Å; A21-P46 HydrophobicContact CB-CB 4.3Å; A21-P46 HydrophobicContact CB-CG 3.91Å; P46-F48 VanDerWaalsContact C-N 3.35Å; P46-F48 PolarHBondContact O-N 2.88Å; P46-C49 WeakPolarHBondContact O-CB 3.34Å; P46-C49 PolarHBondContact O-N 3.15Å; P46-L50 PolarHBondContact O-N 3.3Å; P46-Y214 HydrophobicContact CB-CD1 3.99Å; P46-Y214 HydrophobicContact CB-CE1 3.8Å; P46-Y214 HydrophobicContact CB-CE2 4.45Å; P46-Y214 HydrophobicContact CB-CG 4.39Å; P46-Y214 HydrophobicContact CG-CD1 4.42Å; P46-Y214 HydrophobicContact CG-CD2 4.5Å; P46-Y214 HydrophobicContact CG-CE1 3.85Å; P46-Y214 HydrophobicContact CG-CE2 3.93Å |
| 47 | I | 97.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.2 | -40.2 | 179 | -52.3 | -52.3 | 0 | 0 | 0 | 110.9 | C44 L45 C49 L50 W51 L75 A79 Y213 Y214 Q217 | C44-I47 PolarHBondContact O-N 3.08Å; C44-I47 VanDerWaalsContact O-N 3.08Å; L45-I47 VanDerWaalsContact C-N 3.31Å; L45-I47 PolarHBondContact O-N 3.34Å; I47-C49 VanDerWaalsContact C-N 3.31Å; I47-C49 PolarHBondContact O-N 3.38Å; I47-L50 WeakPolarHBondContact O-CB 3.49Å; I47-L50 PolarHBondContact O-N 3.14Å; I47-W51 PolarHBondContact O-N 3.13Å; I47-W51 VanDerWaalsContact O-N 3.16Å; I47-W51 PolarHBondContact O-NE1 3.49Å; I47-L75 HydrophobicContact CG2-CB 4.22Å; I47-L75 HydrophobicContact CG2-CD2 4.11Å; I47-L75 VanDerWaalsContact CG2-O 3.3Å; I47-L75 WeakPolarHBondContact CG2-O 3.47Å; I47-A79 HydrophobicContact CB-CB 4.25Å; I47-A79 HydrophobicContact CG2-CB 3.97Å; I47-Y213 HydrophobicContact CD1-CE1 3.79Å; I47-Y213 HydrophobicContact CG1-CE1 4.11Å; I47-Y214 HydrophobicContact CD1-CD1 3.89Å; I47-Y214 HydrophobicContact CD1-CE1 4.08Å; I47-Y214 HydrophobicContact CG1-CE1 4.29Å; I47-Q217 HydrophobicContact CD1-CB 3.8Å; I47-Q217 HydrophobicContact CD1-CG 3.66Å |
| 48 | F | 96.4 | Very high | 92.9 | Very high | 104 Ų | 104 | 37.8 Ų | 37.8 | 46% | 0.456 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.3 | -39.6 | 173.6 | -177.2 | -99.5 | 0 | 0 | 0 | 112.3 | C44 L45 P46 L50 W51 V52 | C44-F48 PolarHBondContact O-N 3.3Å; L45-F48 WeakPolarHBondContact O-CB 3.49Å; L45-F48 PolarHBondContact O-N 3.3Å; P46-F48 VanDerWaalsContact C-N 3.35Å; P46-F48 PolarHBondContact O-N 2.88Å; F48-L50 PolarHBondContact O-N 3.12Å; F48-W51 HydrophobicContact CD2-CD2 4.17Å; F48-W51 AromaticContact CD2-CE3 3.55Å; F48-W51 HydrophobicContact CD2-CE3 3.55Å; F48-W51 AromaticContact CD2-CZ3 3.81Å; F48-W51 HydrophobicContact CD2-CZ3 3.81Å; F48-W51 AromaticContact CE2-CE3 3.95Å; F48-W51 HydrophobicContact CE2-CE3 3.95Å; F48-W51 HydrophobicContact CE2-CZ3 4.23Å; F48-W51 WeakPolarHBondContact O-CB 3.3Å; F48-W51 PolarHBondContact O-N 3.28Å; F48-V52 HydrophobicContact CD1-CG2 4.35Å; F48-V52 HydrophobicContact CE1-CG2 3.92Å; F48-V52 HydrophobicContact CZ-CG2 4.22Å; F48-V52 PolarHBondContact O-N 2.92Å; F48-V52 VanDerWaalsContact O-N 3.14Å |
| 49 | C | 96.5 | Very high | 92 | Very high | 20 Ų | 20 | 40.1 Ų | 40.1 | 14% | 0.135 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.9 | -35.3 | 173.4 | -65.9 | 0 | 0 | 0 | 0 | 112.4 | P17 F18 L45 P46 I47 W51 V52 F53 | P17-C49 HydrophobicContact CB-CB 4.33Å; F18-C49 HydrophobicContact CB-CB 3.97Å; L45-C49 PolarHBondContact O-N 3.23Å; L45-C49 PolarHBondContact O-SG 3.28Å; L45-C49 VanDerWaalsContact O-SG 3.32Å; P46-C49 WeakPolarHBondContact O-CB 3.34Å; P46-C49 PolarHBondContact O-N 3.15Å; I47-C49 VanDerWaalsContact C-N 3.31Å; I47-C49 PolarHBondContact O-N 3.38Å; C49-W51 VanDerWaalsContact C-N 3.33Å; C49-V52 PolarHBondContact O-N 3.16Å; C49-F53 WeakPolarHBondContact O-CB 3.17Å; C49-F53 PolarHBondContact O-N 2.89Å |
| 50 | L | 96.1 | Very high | 91 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.9 | -28.8 | 174.9 | -62.9 | 176.5 | 0 | 0 | 0 | 112.7 | L15 F18 P46 I47 F48 F53 L54 L75 Q217 M218 A221 | L15-L50 HydrophobicContact CD2-CD2 3.86Å; F18-L50 HydrophobicContact CB-CD2 4.19Å; F18-L50 HydrophobicContact CD2-CD1 4.02Å; F18-L50 HydrophobicContact CD2-CD2 3.69Å; F18-L50 HydrophobicContact CD2-CG 3.62Å; F18-L50 HydrophobicContact CE2-CD1 3.84Å; F18-L50 HydrophobicContact CE2-CD2 4.19Å; F18-L50 HydrophobicContact CE2-CG 4Å; F18-L50 HydrophobicContact CG-CD2 3.89Å; F18-L50 HydrophobicContact CG-CG 4.32Å; P46-L50 PolarHBondContact O-N 3.3Å; I47-L50 WeakPolarHBondContact O-CB 3.49Å; I47-L50 PolarHBondContact O-N 3.14Å; F48-L50 PolarHBondContact O-N 3.12Å; L50-F53 WeakPolarHBondContact O-CB 3.34Å; L50-F53 PolarHBondContact O-N 3.34Å; L50-L54 PolarHBondContact O-N 3.24Å; L50-L54 VanDerWaalsContact O-N 3.1Å; L50-L75 HydrophobicContact CB-CD1 4.06Å; L50-L75 HydrophobicContact CB-CD2 4.3Å; L50-L75 HydrophobicContact CD1-CD2 4.13Å; L50-Q217 HydrophobicContact CD1-CB 3.7Å; L50-M218 HydrophobicContact CD2-CB 4.45Å; L50-A221 HydrophobicContact CB-CB 4.42Å; L50-A221 HydrophobicContact CD1-CB 4.47Å; L50-A221 HydrophobicContact CD2-CB 4.25Å |
| 51 | W | 93.6 | Very high | 90.2 | Very high | 53 Ų | 53 | 44.2 Ų | 44.2 | 20% | 0.201 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.7 | -49.3 | 171.9 | -57.1 | 0.5 | 0 | 0 | 0 | 110.4 | I47 F48 C49 F53 L54 L55 L72 L75 I76 A79 | I47-W51 PolarHBondContact O-N 3.13Å; I47-W51 VanDerWaalsContact O-N 3.16Å; I47-W51 PolarHBondContact O-NE1 3.49Å; F48-W51 HydrophobicContact CD2-CD2 4.17Å; F48-W51 AromaticContact CD2-CE3 3.55Å; F48-W51 HydrophobicContact CD2-CE3 3.55Å; F48-W51 AromaticContact CD2-CZ3 3.81Å; F48-W51 HydrophobicContact CD2-CZ3 3.81Å; F48-W51 AromaticContact CE2-CE3 3.95Å; F48-W51 HydrophobicContact CE2-CE3 3.95Å; F48-W51 HydrophobicContact CE2-CZ3 4.23Å; F48-W51 WeakPolarHBondContact O-CB 3.3Å; F48-W51 PolarHBondContact O-N 3.28Å; C49-W51 VanDerWaalsContact C-N 3.33Å; W51-F53 VanDerWaalsContact C-N 3.27Å; W51-F53 PolarHBondContact O-N 3.32Å; W51-L54 PolarHBondContact O-N 3.05Å; W51-L55 WeakPolarHBondContact O-CB 3.33Å; W51-L55 VanDerWaalsContact O-CG 3.3Å; W51-L55 WeakPolarHBondContact O-CG 3.23Å; W51-L55 PolarHBondContact O-N 3.32Å; W51-L72 HydrophobicContact CB-CD1 3.86Å; W51-L72 HydrophobicContact CG-CD1 4.07Å; W51-L75 VanDerWaalsContact NE1-CB 3.29Å; W51-L75 PolarHBondContact NE1-O 2.97Å; W51-I76 HydrophobicContact CD2-CG1 3.96Å; W51-I76 HydrophobicContact CE3-CG1 4.16Å; W51-I76 HydrophobicContact CH2-CB 4.33Å; W51-I76 HydrophobicContact CH2-CG1 3.97Å; W51-I76 HydrophobicContact CH2-CG2 4.25Å; W51-I76 HydrophobicContact CZ2-CB 4.04Å; W51-I76 HydrophobicContact CZ2-CG1 3.79Å; W51-I76 HydrophobicContact CZ2-CG2 4.39Å; W51-I76 HydrophobicContact CZ3-CG1 4.14Å; W51-A79 HydrophobicContact CH2-CB 4.24Å; W51-A79 HydrophobicContact CZ2-CB 3.52Å |
| 52 | V | 93 | Very high | 89.4 | Confident | 76 Ų | 76 | 39.8 Ų | 39.8 | 46% | 0.461 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.5 | -40.8 | 178.1 | 177.3 | 0 | 0 | 0 | 0 | 110.4 | F48 C49 L54 L55 A56 | F48-V52 HydrophobicContact CD1-CG2 4.35Å; F48-V52 HydrophobicContact CE1-CG2 3.92Å; F48-V52 HydrophobicContact CZ-CG2 4.22Å; F48-V52 PolarHBondContact O-N 2.92Å; F48-V52 VanDerWaalsContact O-N 3.14Å; C49-V52 PolarHBondContact O-N 3.16Å; V52-L54 PolarHBondContact O-N 3.21Å; V52-L55 PolarHBondContact O-N 3.41Å; V52-A56 VanDerWaalsContact O-CB 3.32Å; V52-A56 WeakPolarHBondContact O-CB 3.44Å; V52-A56 PolarHBondContact O-N 2.92Å |
| 53 | F | 92.8 | Very high | 88.2 | Confident | 5 Ų | 5 | 41.8 Ų | 41.8 | 2% | 0.022 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56 | -47.6 | 174.1 | 168.3 | -101.2 | 0 | 0 | 0 | 112.7 | E11 K14 L15 C49 L50 W51 A56 H57 A221 L222 V225 | E11-F53 HydrophobicContact CB-CE2 4.31Å; E11-F53 HydrophobicContact CB-CZ 4.42Å; E11-F53 WeakPolarHBondContact OE2-CE2 3.33Å; K14-F53 HydrophobicContact CB-CD2 3.65Å; K14-F53 HydrophobicContact CB-CE2 3.85Å; K14-F53 HydrophobicContact CD-CD2 4.48Å; K14-F53 HydrophobicContact CD-CE2 4.25Å; L15-F53 HydrophobicContact CD2-CD1 4.34Å; L15-F53 HydrophobicContact CD2-CD2 3.91Å; L15-F53 HydrophobicContact CD2-CE2 4.11Å; L15-F53 HydrophobicContact CD2-CG 4.04Å; L15-F53 HydrophobicContact CD2-CZ 4.42Å; L15-F53 HydrophobicContact CG-CD2 4.22Å; L15-F53 HydrophobicContact CG-CE2 4.11Å; C49-F53 WeakPolarHBondContact O-CB 3.17Å; C49-F53 PolarHBondContact O-N 2.89Å; L50-F53 WeakPolarHBondContact O-CB 3.34Å; L50-F53 PolarHBondContact O-N 3.34Å; W51-F53 VanDerWaalsContact C-N 3.27Å; W51-F53 PolarHBondContact O-N 3.32Å; F53-A56 PolarHBondContact O-N 3.1Å; F53-H57 AromaticContact CE2-CE1 3.74Å; F53-H57 AromaticContact CZ-CE1 3.83Å; F53-H57 PolarHBondContact O-ND1 3.32Å; F53-A221 HydrophobicContact CD1-CB 4.44Å; F53-L222 HydrophobicContact CE1-CD2 4.46Å; F53-L222 HydrophobicContact CZ-CD2 3.97Å; F53-V225 HydrophobicContact CE1-CG2 3.58Å; F53-V225 HydrophobicContact CZ-CG2 3.76Å |
| 54 | L | 90.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.6 | -38.2 | 177.3 | -70.4 | -179.3 | 0 | 0 | 0 | 112.5 | L50 W51 V52 A56 H57 I71 L72 L75 A224 V225 | L50-L54 PolarHBondContact O-N 3.24Å; L50-L54 VanDerWaalsContact O-N 3.1Å; W51-L54 PolarHBondContact O-N 3.05Å; V52-L54 PolarHBondContact O-N 3.21Å; L54-A56 VanDerWaalsContact C-N 3.31Å; L54-A56 PolarHBondContact O-N 3.48Å; L54-H57 WeakPolarHBondContact O-CB 3.34Å; L54-H57 PolarHBondContact O-N 3.01Å; L54-I71 HydrophobicContact CD1-CG2 3.99Å; L54-L72 HydrophobicContact CD1-CB 4.15Å; L54-L72 HydrophobicContact CD1-CD1 4.46Å; L54-L75 HydrophobicContact CD1-CD1 3.67Å; L54-A224 HydrophobicContact CD2-CB 4.02Å; L54-V225 HydrophobicContact CD2-CG2 3.72Å |
| 55 | L | 88.7 | Confident | 86.5 | Confident | 61 Ų | 61 | 44.7 Ų | 44.7 | 32% | 0.319 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.9 | -30.7 | 177.8 | -71.2 | 167.2 | 0 | 0 | 0 | 112.6 | W51 V52 H57 G58 F59 L62 L72 | W51-L55 WeakPolarHBondContact O-CB 3.33Å; W51-L55 VanDerWaalsContact O-CG 3.3Å; W51-L55 WeakPolarHBondContact O-CG 3.23Å; W51-L55 PolarHBondContact O-N 3.32Å; V52-L55 PolarHBondContact O-N 3.41Å; L55-H57 PolarHBondContact O-N 3.11Å; L55-G58 WeakPolarHBondContact O-CA 3.45Å; L55-G58 PolarHBondContact O-N 2.84Å; L55-F59 HydrophobicContact CD2-CD1 4.25Å; L55-F59 HydrophobicContact CD2-CE1 3.61Å; L55-F59 HydrophobicContact CD2-CZ 3.97Å; L55-L62 HydrophobicContact CD2-CD1 3.53Å; L55-L62 HydrophobicContact CG-CD1 4.49Å; L55-L72 HydrophobicContact CD2-CD2 4.07Å; L55-L72 HydrophobicContact CG-CD2 4.41Å |
| 56 | A | 87.3 | Confident | 86 | Confident | 71 Ų | 71 | 44.6 Ų | 44.6 | 59% | 0.587 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -18.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | V52 F53 L54 G58 | V52-A56 VanDerWaalsContact O-CB 3.32Å; V52-A56 WeakPolarHBondContact O-CB 3.44Å; V52-A56 PolarHBondContact O-N 2.92Å; F53-A56 PolarHBondContact O-N 3.1Å; L54-A56 VanDerWaalsContact C-N 3.31Å; L54-A56 PolarHBondContact O-N 3.48Å; A56-G58 PolarHBondContact O-N 3.47Å |
| 57 | H | 83 | Confident | 85.5 | Confident | 31 Ų | 31 | 46.5 Ų | 46.5 | 14% | 0.144 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -6.6 | 171.3 | -69.1 | 81 | 0 | 0 | 0 | 113.2 | E11 K14 F53 L54 L55 F61 V225 | E11-H57 IonicContact OE1-NE2 3.08Å; E11-H57 IonicContact OE2-CE1 3.11Å; E11-H57 PolarHBondContact OE2-CE1 3.3Å; E11-H57 IonicContact OE2-NE2 3.01Å; E11-H57 PolarHBondContact OE2-NE2 3.34Å; E11-H57 VanDerWaalsContact OE2-NE2 3.08Å; K14-H57 PolarHBondContact NZ-CE1 3.14Å; K14-H57 PolarHBondContact NZ-NE2 3.49Å; F53-H57 AromaticContact CE2-CE1 3.74Å; F53-H57 AromaticContact CZ-CE1 3.83Å; F53-H57 PolarHBondContact O-ND1 3.32Å; L54-H57 WeakPolarHBondContact O-CB 3.34Å; L54-H57 PolarHBondContact O-N 3.01Å; L55-H57 PolarHBondContact O-N 3.11Å; H57-F61 HydrophobicContact CB-CB 4.47Å; H57-F61 HydrophobicContact CB-CD1 3.65Å; H57-F61 HydrophobicContact CB-CE1 4.07Å; H57-F61 HydrophobicContact CB-CG 4.1Å; H57-F61 WeakPolarHBondContact O-CB 3.44Å; H57-V225 WeakPolarHBondContact NE2-CG1 3.28Å |
| 58 | G | 78.4 | Confident | 85.2 | Confident | 21 Ų | 21 | 46.6 Ų | 46.6 | 22% | 0.216 | 29% | 0.289 | C | S | . | . | trans | 103.1 | 147.7 | 171 | 0 | 0 | 0 | 0 | 0 | 114.2 | L55 A56 S60 F61 L62 | L55-G58 WeakPolarHBondContact O-CA 3.45Å; L55-G58 PolarHBondContact O-N 2.84Å; A56-G58 PolarHBondContact O-N 3.47Å; G58-S60 PolarHBondContact O-N 3.28Å; G58-F61 WeakPolarHBondContact O-CB 3.3Å; G58-F61 PolarHBondContact O-N 3.19Å; G58-F61 VanDerWaalsContact O-N 3.17Å; G58-L62 PolarHBondContact O-N 3.37Å | ||
| 59 | F | 75.5 | Confident | 85 | Confident | 161 Ų | 161 | 48.1 Ų | 48.1 | 71% | 0.706 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -65.2 | -28.7 | 174.6 | -70.4 | -78 | 0 | 0 | 0 | 112.7 | L55 F61 L62 G63 | L55-F59 HydrophobicContact CD2-CD1 4.25Å; L55-F59 HydrophobicContact CD2-CE1 3.61Å; L55-F59 HydrophobicContact CD2-CZ 3.97Å; F59-F61 VanDerWaalsContact C-N 3.33Å; F59-L62 PolarHBondContact O-N 2.91Å; F59-G63 PolarHBondContact O-N 2.9Å |
| 60 | S | 72.6 | Confident | 84.9 | Confident | 101 Ų | 101 | 49.8 Ų | 49.8 | 71% | 0.706 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64.6 | -37.1 | 173 | 55.6 | 0 | 0 | 0 | 0 | 112 | G58 G63 A64 | G58-S60 PolarHBondContact O-N 3.28Å; S60-G63 PolarHBondContact O-N 3.46Å; S60-A64 WeakPolarHBondContact O-CB 3.38Å; S60-A64 PolarHBondContact O-N 3.25Å |
| 61 | F | 77.3 | Confident | 84.9 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 1% | 0.013 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.9 | -46.3 | 172.8 | 163.3 | -104.8 | 0 | 0 | 0 | 111.3 | H57 G58 F59 G63 A64 H65 A68 A224 Q228 | H57-F61 HydrophobicContact CB-CB 4.47Å; H57-F61 HydrophobicContact CB-CD1 3.65Å; H57-F61 HydrophobicContact CB-CE1 4.07Å; H57-F61 HydrophobicContact CB-CG 4.1Å; H57-F61 WeakPolarHBondContact O-CB 3.44Å; G58-F61 WeakPolarHBondContact O-CB 3.3Å; G58-F61 PolarHBondContact O-N 3.19Å; G58-F61 VanDerWaalsContact O-N 3.17Å; F59-F61 VanDerWaalsContact C-N 3.33Å; F61-G63 VanDerWaalsContact C-N 3.28Å; F61-G63 PolarHBondContact O-N 3.4Å; F61-A64 PolarHBondContact O-N 3.34Å; F61-H65 AromaticContact CD2-CD2 3.25Å; F61-H65 WeakPolarHBondContact CD2-CD2 3.4Å; F61-H65 AromaticContact CD2-NE2 3.9Å; F61-H65 HydrophobicContact CE2-CB 4.27Å; F61-H65 AromaticContact CE2-CD2 3.47Å; F61-H65 VanDerWaalsContact CE2-CD2 3.47Å; F61-H65 WeakPolarHBondContact CE2-CD2 3.32Å; F61-H65 AromaticContact CE2-CG 3.98Å; F61-H65 PolarHBondContact O-CD2 3.17Å; F61-H65 VanDerWaalsContact O-CD2 3.32Å; F61-H65 PolarHBondContact O-N 3.27Å; F61-A68 HydrophobicContact CD1-CB 4.41Å; F61-A68 HydrophobicContact CE1-CB 3.53Å; F61-A68 HydrophobicContact CE2-CB 4.4Å; F61-A68 HydrophobicContact CZ-CB 3.52Å; F61-A224 WeakPolarHBondContact CZ-O 3.36Å; F61-Q228 HydrophobicContact CD2-CB 4.19Å; F61-Q228 HydrophobicContact CD2-CG 3.98Å; F61-Q228 HydrophobicContact CE2-CB 3.86Å; F61-Q228 HydrophobicContact CE2-CG 4.18Å |
| 62 | L | 77.5 | Confident | 85 | Confident | 15 Ų | 15 | 48.4 Ų | 48.4 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.3 | -29.5 | 176 | -66.4 | 173.7 | 0 | 0 | 0 | 113.3 | L55 G58 F59 A68 L72 | L55-L62 HydrophobicContact CD2-CD1 3.53Å; L55-L62 HydrophobicContact CG-CD1 4.49Å; G58-L62 PolarHBondContact O-N 3.37Å; F59-L62 PolarHBondContact O-N 2.91Å; L62-A68 HydrophobicContact CD2-CB 3.95Å; L62-L72 HydrophobicContact CD1-CD2 3.71Å; L62-L72 HydrophobicContact CD2-CD2 4.29Å |
| 63 | G | 71.3 | Confident | 85.2 | Confident | 57 Ų | 57 | 46.2 Ų | 46.2 | 59% | 0.588 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -71.3 | -39.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F59 S60 F61 | F59-G63 PolarHBondContact O-N 2.9Å; S60-G63 PolarHBondContact O-N 3.46Å; F61-G63 VanDerWaalsContact C-N 3.28Å; F61-G63 PolarHBondContact O-N 3.4Å |
| 64 | A | 75.2 | Confident | 85.5 | Confident | 76 Ų | 76 | 46 Ų | 46 | 63% | 0.628 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -78.3 | -35.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S60 F61 | S60-A64 WeakPolarHBondContact O-CB 3.38Å; S60-A64 PolarHBondContact O-N 3.25Å; F61-A64 PolarHBondContact O-N 3.34Å |
| 65 | H | 80.2 | Confident | 85.8 | Confident | 25 Ų | 25 | 46 Ų | 46 | 12% | 0.116 | 28% | 0.282 | C | S | . | . | trans | -111.5 | 98.1 | -173 | -59.1 | -80.5 | 0 | 0 | 0 | 112.2 | F61 S67 A68 R69 E231 | F61-H65 AromaticContact CD2-CD2 3.25Å; F61-H65 WeakPolarHBondContact CD2-CD2 3.4Å; F61-H65 AromaticContact CD2-NE2 3.9Å; F61-H65 HydrophobicContact CE2-CB 4.27Å; F61-H65 AromaticContact CE2-CD2 3.47Å; F61-H65 VanDerWaalsContact CE2-CD2 3.47Å; F61-H65 WeakPolarHBondContact CE2-CD2 3.32Å; F61-H65 AromaticContact CE2-CG 3.98Å; F61-H65 PolarHBondContact O-CD2 3.17Å; F61-H65 VanDerWaalsContact O-CD2 3.32Å; F61-H65 PolarHBondContact O-N 3.27Å; H65-S67 PolarHBondContact O-N 3.36Å; H65-S67 VanDerWaalsContact O-N 3.14Å; H65-A68 HydrophobicContact CB-CB 4.17Å; H65-A68 PolarHBondContact O-N 3.04Å; H65-A68 VanDerWaalsContact O-N 3.13Å; H65-R69 PolarHBondContact O-N 3.03Å; H65-E231 IonicContact CE1-OE2 3.56Å; H65-E231 PolarHBondContact CE1-OE2 2.96Å; H65-E231 IonicContact ND1-OE2 3.54Å; H65-E231 PolarHBondContact ND1-OE2 3.28Å; H65-E231 VanDerWaalsContact ND1-OE2 3.11Å | ||
| 66 | S | 85.5 | Confident | 86.3 | Confident | 56 Ų | 56 | 46.2 Ų | 46.2 | 39% | 0.392 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -55.3 | -32.3 | 177.9 | -173.7 | 0 | 0 | 0 | 0 | 113.3 | K70 | S66-K70 VanDerWaalsContact O-CG 3.3Å; S66-K70 WeakPolarHBondContact O-CG 3.48Å; S66-K70 PolarHBondContact O-N 3.43Å; S66-K70 VanDerWaalsContact O-N 3.15Å |
| 67 | S | 86.8 | Confident | 86.8 | Confident | 41 Ų | 41 | 45.9 Ų | 45.9 | 29% | 0.287 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.3 | -47.1 | 177 | -174 | 0 | 0 | 0 | 0 | 112.2 | H65 R69 K70 I71 A110 | H65-S67 PolarHBondContact O-N 3.36Å; H65-S67 VanDerWaalsContact O-N 3.14Å; S67-R69 VanDerWaalsContact C-N 3.32Å; S67-R69 PolarHBondContact O-N 3.32Å; S67-K70 PolarHBondContact O-N 3.4Å; S67-K70 VanDerWaalsContact O-N 3.16Å; S67-I71 PolarHBondContact O-N 2.95Å; S67-A110 PolarHBondContact OG-O 2.9Å |
| 68 | A | 90 | Very high | 87.5 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.1 | -39.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F61 L62 H65 I71 L72 A224 | F61-A68 HydrophobicContact CD1-CB 4.41Å; F61-A68 HydrophobicContact CE1-CB 3.53Å; F61-A68 HydrophobicContact CE2-CB 4.4Å; F61-A68 HydrophobicContact CZ-CB 3.52Å; L62-A68 HydrophobicContact CD2-CB 3.95Å; H65-A68 HydrophobicContact CB-CB 4.17Å; H65-A68 PolarHBondContact O-N 3.04Å; H65-A68 VanDerWaalsContact O-N 3.13Å; A68-I71 PolarHBondContact O-N 3.17Å; A68-L72 WeakPolarHBondContact O-CB 3.43Å; A68-L72 PolarHBondContact O-N 3.23Å; A68-A224 HydrophobicContact CB-CB 4.11Å |
| 69 | R | 92.6 | Very high | 88.4 | Confident | 136 Ų | 136 | 43.8 Ų | 43.8 | 51% | 0.513 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 174.7 | -176.4 | 173.5 | 63.1 | -156.1 | -1.7 | 112.6 | H65 S67 L72 A73 | H65-R69 PolarHBondContact O-N 3.03Å; S67-R69 VanDerWaalsContact C-N 3.32Å; S67-R69 PolarHBondContact O-N 3.32Å; R69-L72 PolarHBondContact O-N 2.8Å; R69-A73 WeakPolarHBondContact O-CB 3.49Å; R69-A73 PolarHBondContact O-N 3.09Å |
| 70 | K | 95.2 | Very high | 89.5 | Confident | 56 Ų | 56 | 39.9 Ų | 39.9 | 24% | 0.243 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.9 | -39.1 | 176.6 | -70.3 | 170.3 | -172.8 | -176 | 0 | 111.5 | S66 S67 A73 G74 S109 A110 | S66-K70 VanDerWaalsContact O-CG 3.3Å; S66-K70 WeakPolarHBondContact O-CG 3.48Å; S66-K70 PolarHBondContact O-N 3.43Å; S66-K70 VanDerWaalsContact O-N 3.15Å; S67-K70 PolarHBondContact O-N 3.4Å; S67-K70 VanDerWaalsContact O-N 3.16Å; K70-A73 PolarHBondContact O-N 2.83Å; K70-G74 PolarHBondContact O-N 3.01Å; K70-S109 WeakPolarHBondContact CE-OG 3.48Å; K70-S109 PolarHBondContact NZ-O 2.65Å; K70-S109 PolarHBondContact NZ-OG 2.59Å; K70-A110 HydrophobicContact CB-CB 3.8Å; K70-A110 HydrophobicContact CD-CB 4.33Å |
| 71 | I | 95.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.9 | -44.9 | 175 | -70.4 | 166.9 | 0 | 0 | 0 | 110.6 | L54 S67 A68 A73 G74 L75 Y107 A110 I220 A224 | L54-I71 HydrophobicContact CD1-CG2 3.99Å; S67-I71 PolarHBondContact O-N 2.95Å; A68-I71 PolarHBondContact O-N 3.17Å; I71-A73 VanDerWaalsContact C-N 3.33Å; I71-A73 PolarHBondContact O-N 3.39Å; I71-G74 PolarHBondContact O-N 3.43Å; I71-G74 VanDerWaalsContact O-N 3.16Å; I71-L75 HydrophobicContact CG2-CD1 4.21Å; I71-L75 HydrophobicContact CG2-CG 4.45Å; I71-L75 WeakPolarHBondContact O-CG 3.25Å; I71-L75 PolarHBondContact O-N 3.47Å; I71-Y107 HydrophobicContact CB-CE1 4.4Å; I71-Y107 HydrophobicContact CG1-CD1 4.29Å; I71-Y107 HydrophobicContact CG1-CE1 4.49Å; I71-Y107 HydrophobicContact CG2-CE1 4.2Å; I71-Y107 WeakPolarHBondContact O-CE1 3.43Å; I71-A110 HydrophobicContact CD1-CB 4.08Å; I71-A110 HydrophobicContact CG1-CB 3.64Å; I71-I220 HydrophobicContact CD1-CG2 4.37Å; I71-I220 HydrophobicContact CG1-CG2 4.24Å; I71-I220 HydrophobicContact CG2-CG2 4.03Å; I71-A224 HydrophobicContact CD1-CB 3.66Å |
| 72 | L | 96.4 | Very high | 91.6 | Very high | 22 Ų | 22 | 35.1 Ų | 35.1 | 12% | 0.115 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.3 | -45.7 | 174.5 | 179.6 | 62.8 | 0 | 0 | 0 | 111.7 | W51 L54 L55 L62 A68 R69 G74 L75 I76 | W51-L72 HydrophobicContact CB-CD1 3.86Å; W51-L72 HydrophobicContact CG-CD1 4.07Å; L54-L72 HydrophobicContact CD1-CB 4.15Å; L54-L72 HydrophobicContact CD1-CD1 4.46Å; L55-L72 HydrophobicContact CD2-CD2 4.07Å; L55-L72 HydrophobicContact CG-CD2 4.41Å; L62-L72 HydrophobicContact CD1-CD2 3.71Å; L62-L72 HydrophobicContact CD2-CD2 4.29Å; A68-L72 WeakPolarHBondContact O-CB 3.43Å; A68-L72 PolarHBondContact O-N 3.23Å; R69-L72 PolarHBondContact O-N 2.8Å; L72-G74 VanDerWaalsContact C-N 3.33Å; L72-G74 PolarHBondContact O-N 3.42Å; L72-L75 PolarHBondContact O-N 3.21Å; L72-I76 HydrophobicContact CG-CD1 4.41Å; L72-I76 WeakPolarHBondContact O-CG1 3.3Å; L72-I76 PolarHBondContact O-N 3.4Å |
| 73 | A | 97.3 | Very high | 92.5 | Very high | 30 Ų | 30 | 35.5 Ų | 35.5 | 25% | 0.248 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.9 | -42.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R69 K70 I71 L75 I76 F77 L106 | R69-A73 WeakPolarHBondContact O-CB 3.49Å; R69-A73 PolarHBondContact O-N 3.09Å; K70-A73 PolarHBondContact O-N 2.83Å; I71-A73 VanDerWaalsContact C-N 3.33Å; I71-A73 PolarHBondContact O-N 3.39Å; A73-L75 PolarHBondContact O-N 3.32Å; A73-I76 WeakPolarHBondContact O-CB 3.46Å; A73-I76 PolarHBondContact O-N 3.41Å; A73-I76 VanDerWaalsContact O-N 3.13Å; A73-F77 VanDerWaalsContact O-CD2 3.25Å; A73-F77 WeakPolarHBondContact O-CD2 3.45Å; A73-F77 PolarHBondContact O-N 3.48Å; A73-L106 HydrophobicContact CB-CD1 3.83Å; A73-L106 HydrophobicContact CB-CD2 4.44Å |
| 74 | G | 97.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.1 | -41.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K70 I71 L72 I76 F77 S78 T103 | K70-G74 PolarHBondContact O-N 3.01Å; I71-G74 PolarHBondContact O-N 3.43Å; I71-G74 VanDerWaalsContact O-N 3.16Å; L72-G74 VanDerWaalsContact C-N 3.33Å; L72-G74 PolarHBondContact O-N 3.42Å; G74-I76 VanDerWaalsContact C-N 3.25Å; G74-I76 PolarHBondContact O-N 2.94Å; G74-F77 PolarHBondContact O-N 3.5Å; G74-S78 WeakPolarHBondContact O-CB 3.16Å; G74-S78 PolarHBondContact O-N 3.11Å; G74-S78 PolarHBondContact O-OG 3.48Å; G74-T103 WeakPolarHBondContact O-CG2 3.35Å; G74-T103 PolarHBondContact O-OG1 3.38Å |
| 75 | L | 97.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.7 | -37.4 | 173.9 | -69.8 | 166.9 | 0 | 0 | 0 | 111.3 | I47 L50 W51 L54 I71 L72 A73 S78 A79 Y107 Q217 A221 | I47-L75 HydrophobicContact CG2-CB 4.22Å; I47-L75 HydrophobicContact CG2-CD2 4.11Å; I47-L75 VanDerWaalsContact CG2-O 3.3Å; I47-L75 WeakPolarHBondContact CG2-O 3.47Å; L50-L75 HydrophobicContact CB-CD1 4.06Å; L50-L75 HydrophobicContact CB-CD2 4.3Å; L50-L75 HydrophobicContact CD1-CD2 4.13Å; W51-L75 VanDerWaalsContact NE1-CB 3.29Å; W51-L75 PolarHBondContact NE1-O 2.97Å; L54-L75 HydrophobicContact CD1-CD1 3.67Å; I71-L75 HydrophobicContact CG2-CD1 4.21Å; I71-L75 HydrophobicContact CG2-CG 4.45Å; I71-L75 WeakPolarHBondContact O-CG 3.25Å; I71-L75 PolarHBondContact O-N 3.47Å; L72-L75 PolarHBondContact O-N 3.21Å; A73-L75 PolarHBondContact O-N 3.32Å; L75-S78 WeakPolarHBondContact CA-OG 3.37Å; L75-S78 PolarHBondContact O-N 3.14Å; L75-S78 PolarHBondContact O-OG 3.04Å; L75-A79 PolarHBondContact O-N 3.46Å; L75-A79 VanDerWaalsContact O-N 3.09Å; L75-Y107 VanDerWaalsContact CD2-OH 3.28Å; L75-Y107 WeakPolarHBondContact CD2-OH 3.42Å; L75-Y107 WeakPolarHBondContact CG-OH 3.32Å; L75-Y107 PolarHBondContact N-OH 3.48Å; L75-Q217 HydrophobicContact CD2-CB 4.24Å; L75-Q217 VanDerWaalsContact CD2-OE1 3.24Å; L75-A221 HydrophobicContact CD1-CB 4.34Å |
| 76 | I | 98.1 | Very high | 95.3 | Very high | 66 Ų | 66 | 33.1 Ų | 33.1 | 34% | 0.338 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -61.1 | -52.9 | 175 | -66 | 164.8 | 0 | 0 | 0 | 111.4 | W51 L72 A73 G74 S78 A79 L80 | W51-I76 HydrophobicContact CD2-CG1 3.96Å; W51-I76 HydrophobicContact CE3-CG1 4.16Å; W51-I76 HydrophobicContact CH2-CB 4.33Å; W51-I76 HydrophobicContact CH2-CG1 3.97Å; W51-I76 HydrophobicContact CH2-CG2 4.25Å; W51-I76 HydrophobicContact CZ2-CB 4.04Å; W51-I76 HydrophobicContact CZ2-CG1 3.79Å; W51-I76 HydrophobicContact CZ2-CG2 4.39Å; W51-I76 HydrophobicContact CZ3-CG1 4.14Å; L72-I76 HydrophobicContact CG-CD1 4.41Å; L72-I76 WeakPolarHBondContact O-CG1 3.3Å; L72-I76 PolarHBondContact O-N 3.4Å; A73-I76 WeakPolarHBondContact O-CB 3.46Å; A73-I76 PolarHBondContact O-N 3.41Å; A73-I76 VanDerWaalsContact O-N 3.13Å; G74-I76 VanDerWaalsContact C-N 3.25Å; G74-I76 PolarHBondContact O-N 2.94Å; I76-S78 VanDerWaalsContact C-N 3.28Å; I76-S78 PolarHBondContact O-N 3.16Å; I76-A79 PolarHBondContact O-N 3.04Å; I76-L80 WeakPolarHBondContact O-CG 3.46Å; I76-L80 PolarHBondContact O-N 3.46Å; I76-L80 VanDerWaalsContact O-N 3.16Å |
| 77 | F | 98.3 | Very high | 95.7 | Very high | 64 Ų | 64 | 32.6 Ų | 32.6 | 28% | 0.281 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -62.8 | -35.7 | 177.6 | -78.6 | -74.5 | 0 | 0 | 0 | 112.4 | A73 G74 A79 L80 G81 M99 I102 T103 L106 | A73-F77 VanDerWaalsContact O-CD2 3.25Å; A73-F77 WeakPolarHBondContact O-CD2 3.45Å; A73-F77 PolarHBondContact O-N 3.48Å; G74-F77 PolarHBondContact O-N 3.5Å; F77-A79 PolarHBondContact O-N 2.93Å; F77-L80 HydrophobicContact CD1-CD1 4.39Å; F77-L80 WeakPolarHBondContact O-CB 3.35Å; F77-L80 PolarHBondContact O-N 3.49Å; F77-G81 PolarHBondContact O-N 3.03Å; F77-M99 HydrophobicContact CD1-SD 3.63Å; F77-M99 HydrophobicContact CE1-SD 4.04Å; F77-M99 WeakPolarHBondContact O-CB 3.38Å; F77-I102 HydrophobicContact CB-CG2 4.34Å; F77-I102 HydrophobicContact CD1-CB 4.2Å; F77-I102 HydrophobicContact CD1-CD1 4.06Å; F77-I102 HydrophobicContact CD1-CG2 3.87Å; F77-I102 HydrophobicContact CD2-CG2 3.58Å; F77-I102 HydrophobicContact CE1-CD1 3.89Å; F77-I102 HydrophobicContact CE1-CG2 4.03Å; F77-I102 HydrophobicContact CE2-CG2 3.76Å; F77-I102 HydrophobicContact CG-CB 4.2Å; F77-I102 HydrophobicContact CG-CG2 3.65Å; F77-I102 HydrophobicContact CZ-CG2 3.98Å; F77-T103 WeakPolarHBondContact CB-OG1 3.34Å; F77-L106 HydrophobicContact CD2-CD1 3.58Å; F77-L106 HydrophobicContact CE2-CD1 4.03Å |
| 78 | S | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.7 | -38.1 | 177.6 | 73.5 | 0 | 0 | 0 | 0 | 112.9 | G74 L75 I76 G81 D82 T103 Y213 Q217 | G74-S78 WeakPolarHBondContact O-CB 3.16Å; G74-S78 PolarHBondContact O-N 3.11Å; G74-S78 PolarHBondContact O-OG 3.48Å; L75-S78 WeakPolarHBondContact CA-OG 3.37Å; L75-S78 PolarHBondContact O-N 3.14Å; L75-S78 PolarHBondContact O-OG 3.04Å; I76-S78 VanDerWaalsContact C-N 3.28Å; I76-S78 PolarHBondContact O-N 3.16Å; S78-G81 WeakPolarHBondContact O-CA 3.5Å; S78-G81 PolarHBondContact O-N 3.27Å; S78-D82 PolarHBondContact O-N 3.14Å; S78-T103 PolarHBondContact N-OG1 2.84Å; S78-T103 VanDerWaalsContact N-OG1 3.15Å; S78-Y213 WeakPolarHBondContact CB-OH 3.42Å; S78-Y213 PolarHBondContact OG-OH 3.41Å; S78-Q217 PolarHBondContact OG-NE2 3.43Å |
| 79 | A | 97.7 | Very high | 95.9 | Very high | 8 Ų | 8 | 39.7 Ų | 39.7 | 7% | 0.066 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69.1 | -33.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | C44 I47 W51 L75 I76 F77 G81 D82 A83 | C44-A79 HydrophobicContact CB-CB 4.28Å; C44-A79 PolarHBondContact SG-O 2.9Å; I47-A79 HydrophobicContact CB-CB 4.25Å; I47-A79 HydrophobicContact CG2-CB 3.97Å; W51-A79 HydrophobicContact CH2-CB 4.24Å; W51-A79 HydrophobicContact CZ2-CB 3.52Å; L75-A79 PolarHBondContact O-N 3.46Å; L75-A79 VanDerWaalsContact O-N 3.09Å; I76-A79 PolarHBondContact O-N 3.04Å; F77-A79 PolarHBondContact O-N 2.93Å; A79-G81 VanDerWaalsContact C-N 3.34Å; A79-D82 PolarHBondContact O-N 2.64Å; A79-A83 PolarHBondContact O-N 2.6Å |
| 80 | L | 97.6 | Very high | 95.8 | Very high | 80 Ų | 80 | 38.3 Ų | 38.3 | 42% | 0.419 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65.4 | -40.8 | 171 | -65.9 | 176 | 0 | 0 | 0 | 110.9 | I76 F77 D82 A83 F84 M99 | I76-L80 WeakPolarHBondContact O-CG 3.46Å; I76-L80 PolarHBondContact O-N 3.46Å; I76-L80 VanDerWaalsContact O-N 3.16Å; F77-L80 HydrophobicContact CD1-CD1 4.39Å; F77-L80 WeakPolarHBondContact O-CB 3.35Å; F77-L80 PolarHBondContact O-N 3.49Å; L80-D82 VanDerWaalsContact C-N 3.35Å; L80-A83 PolarHBondContact O-N 2.8Å; L80-F84 WeakPolarHBondContact O-CD2 3.46Å; L80-F84 PolarHBondContact O-N 3.5Å; L80-M99 HydrophobicContact CB-CG 4.07Å; L80-M99 HydrophobicContact CB-SD 4.27Å; L80-M99 HydrophobicContact CD1-SD 4.35Å |
| 81 | G | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.6 | -45.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F77 S78 A79 A83 F84 L85 | F77-G81 PolarHBondContact O-N 3.03Å; S78-G81 WeakPolarHBondContact O-CA 3.5Å; S78-G81 PolarHBondContact O-N 3.27Å; A79-G81 VanDerWaalsContact C-N 3.34Å; G81-A83 VanDerWaalsContact C-N 3.33Å; G81-A83 PolarHBondContact O-N 3.38Å; G81-F84 PolarHBondContact O-N 3.44Å; G81-L85 WeakPolarHBondContact O-CG 3.27Å; G81-L85 PolarHBondContact O-N 2.96Å |
| 82 | D | 96.6 | Very high | 95.5 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.1 | -43.1 | 176.2 | -81.2 | -38.8 | 0 | 0 | 0 | 112.8 | K43 S78 A79 L80 L85 I86 Y213 | K43-D82 HydrophobicContact CD-CB 4.23Å; K43-D82 VanDerWaalsContact CE-OD1 3.25Å; K43-D82 WeakPolarHBondContact CE-OD1 3.43Å; K43-D82 HydrophobicContact CG-CB 4.29Å; K43-D82 PolarHBondContact NZ-O 3.23Å; K43-D82 IonicContact NZ-OD1 2.87Å; S78-D82 PolarHBondContact O-N 3.14Å; A79-D82 PolarHBondContact O-N 2.64Å; L80-D82 VanDerWaalsContact C-N 3.35Å; D82-L85 PolarHBondContact O-N 2.94Å; D82-I86 PolarHBondContact O-N 2.89Å; D82-Y213 WeakPolarHBondContact OD2-CE1 3.35Å; D82-Y213 VanDerWaalsContact OD2-CZ 3.24Å; D82-Y213 PolarHBondContact OD2-OH 3.28Å |
| 83 | A | 96.4 | Very high | 95.4 | Very high | 24 Ų | 24 | 42.7 Ų | 42.7 | 20% | 0.198 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62 | -49.8 | 176 | 0 | 0 | 0 | 0 | 0 | 110.7 | A79 L80 G81 L85 I86 W87 | A79-A83 PolarHBondContact O-N 2.6Å; L80-A83 PolarHBondContact O-N 2.8Å; G81-A83 VanDerWaalsContact C-N 3.33Å; G81-A83 PolarHBondContact O-N 3.38Å; A83-L85 VanDerWaalsContact C-N 3.29Å; A83-L85 PolarHBondContact O-N 3.08Å; A83-I86 WeakPolarHBondContact O-CB 3.17Å; A83-I86 PolarHBondContact O-N 2.99Å; A83-I86 VanDerWaalsContact O-N 3.09Å; A83-W87 WeakPolarHBondContact O-CZ3 3.46Å |
| 84 | F | 96.6 | Very high | 95.3 | Very high | 60 Ų | 60 | 43.5 Ų | 43.5 | 26% | 0.263 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.6 | -35.3 | 177.5 | -71.9 | -47.7 | 0 | 0 | 0 | 113.2 | L80 G81 I86 W87 Q88 Y92 H95 M99 | L80-F84 WeakPolarHBondContact O-CD2 3.46Å; L80-F84 PolarHBondContact O-N 3.5Å; G81-F84 PolarHBondContact O-N 3.44Å; F84-I86 PolarHBondContact O-N 2.94Å; F84-W87 CarbonylContact O-C 3.51Å; F84-W87 PolarHBondContact O-N 2.98Å; F84-W87 VanDerWaalsContact O-N 3.09Å; F84-Q88 PolarHBondContact O-N 3.16Å; F84-Y92 AromaticContact CD1-CD1 3.64Å; F84-Y92 HydrophobicContact CD1-CD1 3.64Å; F84-Y92 HydrophobicContact CD1-CE1 4.36Å; F84-Y92 HydrophobicContact CD1-CG 4.3Å; F84-Y92 HydrophobicContact CE1-CD1 4.01Å; F84-Y92 HydrophobicContact CE1-CE1 4.34Å; F84-Y92 WeakPolarHBondContact O-CB 3.41Å; F84-H95 HydrophobicContact CB-CB 4.27Å; F84-H95 HydrophobicContact CD1-CB 4.07Å; F84-H95 HydrophobicContact CD2-CB 3.83Å; F84-H95 HydrophobicContact CE1-CB 4.37Å; F84-H95 HydrophobicContact CE2-CB 4.14Å; F84-H95 HydrophobicContact CG-CB 3.8Å; F84-H95 HydrophobicContact CZ-CB 4.4Å; F84-M99 HydrophobicContact CD2-CG 3.67Å; F84-M99 HydrophobicContact CE2-CG 3.65Å; F84-M99 HydrophobicContact CE2-SD 4.25Å |
| 85 | L | 94.3 | Very high | 95.3 | Very high | 14 Ų | 14 | 47.9 Ų | 47.9 | 7% | 0.073 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.3 | -17.6 | 177.1 | -75.3 | -172.9 | 0 | 0 | 0 | 113.9 | G81 D82 A83 W87 Q88 F93 F100 I193 | G81-L85 WeakPolarHBondContact O-CG 3.27Å; G81-L85 PolarHBondContact O-N 2.96Å; D82-L85 PolarHBondContact O-N 2.94Å; A83-L85 VanDerWaalsContact C-N 3.29Å; A83-L85 PolarHBondContact O-N 3.08Å; L85-W87 VanDerWaalsContact C-N 3.28Å; L85-Q88 HydrophobicContact CD2-CB 4.41Å; L85-Q88 WeakPolarHBondContact O-CB 3.14Å; L85-Q88 WeakPolarHBondContact O-CG 3.38Å; L85-Q88 PolarHBondContact O-N 3.24Å; L85-Q88 PolarHBondContact O-NE2 3.2Å; L85-F93 HydrophobicContact CD2-CD2 3.87Å; L85-F93 HydrophobicContact CD2-CE2 4.26Å; L85-F100 HydrophobicContact CD1-CD2 4.4Å; L85-F100 HydrophobicContact CD1-CE2 3.57Å; L85-F100 HydrophobicContact CD1-CZ 4.34Å; L85-F100 HydrophobicContact CG-CE2 4.13Å; L85-I193 HydrophobicContact CD1-CD1 4.37Å |
| 86 | I | 94.6 | Very high | 95.2 | Very high | 34 Ų | 34 | 47.9 Ų | 47.9 | 17% | 0.174 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.5 | -37.5 | 170.3 | -67.3 | -63.2 | 0 | 0 | 0 | 110.8 | P35 A40 K43 D82 A83 F84 | P35-I86 HydrophobicContact CB-CG2 3.71Å; A40-I86 HydrophobicContact CB-CG1 4Å; K43-I86 HydrophobicContact CB-CD1 4.34Å; K43-I86 HydrophobicContact CD-CD1 3.64Å; K43-I86 HydrophobicContact CD-CG1 4.16Å; D82-I86 PolarHBondContact O-N 2.89Å; A83-I86 WeakPolarHBondContact O-CB 3.17Å; A83-I86 PolarHBondContact O-N 2.99Å; A83-I86 VanDerWaalsContact O-N 3.09Å; F84-I86 PolarHBondContact O-N 2.94Å |
| 87 | W | 94.4 | Very high | 95.2 | Very high | 44 Ų | 44 | 45.8 Ų | 45.8 | 17% | 0.167 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 28.8 | 179 | -66.3 | -89.3 | 0 | 0 | 0 | 113 | P35 W37 A40 A83 F84 L85 E89 Q90 Y92 | P35-W87 HydrophobicContact CB-CG 4.26Å; W37-W87 AromaticContact CD2-CH2 3.83Å; W37-W87 HydrophobicContact CD2-CH2 3.83Å; W37-W87 HydrophobicContact CD2-CZ2 4.14Å; W37-W87 AromaticContact CE3-CH2 3.63Å; W37-W87 HydrophobicContact CE3-CH2 3.63Å; W37-W87 HydrophobicContact CE3-CZ2 4.38Å; W37-W87 HydrophobicContact CE3-CZ3 4.39Å; W37-W87 HydrophobicContact CG-CH2 4.37Å; W37-W87 HydrophobicContact CG-CZ2 4.42Å; W37-W87 HydrophobicContact CH2-CH2 4.44Å; W37-W87 AromaticContact CZ3-CH2 3.96Å; W37-W87 HydrophobicContact CZ3-CH2 3.96Å; W37-W87 HydrophobicContact CZ3-CZ3 4.34Å; A40-W87 HydrophobicContact CB-CH2 3.75Å; A40-W87 HydrophobicContact CB-CZ3 3.74Å; A83-W87 WeakPolarHBondContact O-CZ3 3.46Å; F84-W87 CarbonylContact O-C 3.51Å; F84-W87 PolarHBondContact O-N 2.98Å; F84-W87 VanDerWaalsContact O-N 3.09Å; L85-W87 VanDerWaalsContact C-N 3.28Å; W87-E89 VanDerWaalsContact C-N 3.26Å; W87-E89 PolarHBondContact O-N 3.47Å; W87-Q90 HydrophobicContact CB-CB 4.39Å; W87-Q90 PolarHBondContact O-N 3.43Å; W87-Q90 PolarHBondContact O-OE1 2.88Å; W87-Y92 HydrophobicContact CB-CD2 3.59Å; W87-Y92 HydrophobicContact CB-CE2 4.32Å; W87-Y92 HydrophobicContact CB-CG 4.18Å; W87-Y92 WeakPolarHBondContact O-CB 3.16Å; W87-Y92 PolarHBondContact O-N 3.33Å |
| 88 | Q | 92.4 | Very high | 95.1 | Very high | 60 Ų | 60 | 47 Ų | 47 | 28% | 0.28 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -60 | -34.4 | -175.7 | 63.8 | -177.9 | -50.9 | 0 | 0 | 113.4 | F84 L85 Q90 G91 F93 | F84-Q88 PolarHBondContact O-N 3.16Å; L85-Q88 HydrophobicContact CD2-CB 4.41Å; L85-Q88 WeakPolarHBondContact O-CB 3.14Å; L85-Q88 WeakPolarHBondContact O-CG 3.38Å; L85-Q88 PolarHBondContact O-N 3.24Å; L85-Q88 PolarHBondContact O-NE2 3.2Å; Q88-Q90 VanDerWaalsContact C-N 3.25Å; Q88-Q90 PolarHBondContact O-N 3.06Å; Q88-G91 PolarHBondContact O-N 3.41Å; Q88-F93 HydrophobicContact CB-CB 4.08Å; Q88-F93 HydrophobicContact CB-CD2 4.27Å |
| 89 | E | 88.7 | Confident | 95.2 | Very high | 132 Ų | 132 | 48.7 Ų | 48.7 | 62% | 0.617 | 25% | 0.25 | S | C | * | . | G | 310 helix | trans | -74.2 | -17 | 178.2 | -58.1 | -50.6 | 141.5 | 0 | 0 | 112.6 | W87 G91 K197 | W87-E89 VanDerWaalsContact C-N 3.26Å; W87-E89 PolarHBondContact O-N 3.47Å; E89-G91 VanDerWaalsContact C-N 3.3Å; E89-K197 VanDerWaalsContact CD-NZ 3.28Å; E89-K197 IonicContact OE1-NZ 2.96Å; E89-K197 PolarHBondContact OE1-NZ 3.46Å; E89-K197 IonicContact OE2-NZ 3.8Å; E89-K197 PolarHBondContact OE2-NZ 3.31Å; E89-K197 VanDerWaalsContact OE2-NZ 3.1Å |
| 90 | Q | 90.4 | Very high | 95.2 | Very high | 106 Ų | 106 | 48.6 Ų | 48.6 | 50% | 0.495 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -91.3 | 12.3 | 174.2 | -63.1 | 74.8 | 20.4 | 0 | 0 | 112.4 | W87 Q88 Y92 | W87-Q90 HydrophobicContact CB-CB 4.39Å; W87-Q90 PolarHBondContact O-N 3.43Å; W87-Q90 PolarHBondContact O-OE1 2.88Å; Q88-Q90 VanDerWaalsContact C-N 3.25Å; Q88-Q90 PolarHBondContact O-N 3.06Å; Q90-Y92 HydrophobicContact CB-CD2 4.31Å |
| 91 | G | 90.6 | Very high | 95.2 | Very high | 51 Ų | 51 | 45.4 Ų | 45.4 | 53% | 0.526 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 95.3 | 2.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q88 E89 F93 | Q88-G91 PolarHBondContact O-N 3.41Å; E89-G91 VanDerWaalsContact C-N 3.3Å; G91-F93 VanDerWaalsContact C-N 3.26Å; G91-F93 PolarHBondContact O-N 3.13Å |
| 92 | Y | 94.3 | Very high | 95.3 | Very high | 105 Ų | 105 | 48.2 Ų | 48.2 | 41% | 0.412 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -0 | 178.4 | -70.5 | -85.8 | 0 | 0 | 0 | 114.4 | F84 W87 Q90 V94 H95 G96 | F84-Y92 AromaticContact CD1-CD1 3.64Å; F84-Y92 HydrophobicContact CD1-CD1 3.64Å; F84-Y92 HydrophobicContact CD1-CE1 4.36Å; F84-Y92 HydrophobicContact CD1-CG 4.3Å; F84-Y92 HydrophobicContact CE1-CD1 4.01Å; F84-Y92 HydrophobicContact CE1-CE1 4.34Å; F84-Y92 WeakPolarHBondContact O-CB 3.41Å; W87-Y92 HydrophobicContact CB-CD2 3.59Å; W87-Y92 HydrophobicContact CB-CE2 4.32Å; W87-Y92 HydrophobicContact CB-CG 4.18Å; W87-Y92 WeakPolarHBondContact O-CB 3.16Å; W87-Y92 PolarHBondContact O-N 3.33Å; Q90-Y92 HydrophobicContact CB-CD2 4.31Å; Y92-V94 VanDerWaalsContact C-N 3.31Å; Y92-V94 PolarHBondContact O-N 2.92Å; Y92-H95 HydrophobicContact CD1-CB 4.37Å; Y92-H95 WeakPolarHBondContact O-CB 3.25Å; Y92-H95 PolarHBondContact O-N 2.84Å; Y92-G96 PolarHBondContact O-N 3.2Å |
| 93 | F | 94.2 | Very high | 95.4 | Very high | 16 Ų | 16 | 48 Ų | 48 | 7% | 0.07 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -53.9 | -45.8 | 179.1 | -179.6 | -99.5 | 0 | 0 | 0 | 112.6 | L85 Q88 G91 H95 G96 L97 F143 I193 K197 F198 | L85-F93 HydrophobicContact CD2-CD2 3.87Å; L85-F93 HydrophobicContact CD2-CE2 4.26Å; Q88-F93 HydrophobicContact CB-CB 4.08Å; Q88-F93 HydrophobicContact CB-CD2 4.27Å; G91-F93 VanDerWaalsContact C-N 3.26Å; G91-F93 PolarHBondContact O-N 3.13Å; F93-H95 VanDerWaalsContact C-N 3.33Å; F93-H95 PolarHBondContact O-N 3.14Å; F93-G96 PolarHBondContact O-N 3.29Å; F93-L97 WeakPolarHBondContact O-CB 3.3Å; F93-L97 PolarHBondContact O-N 2.93Å; F93-F143 AromaticContact CD1-CE1 3.8Å; F93-F143 HydrophobicContact CD1-CE1 3.8Å; F93-F143 HydrophobicContact CD1-CZ 4.28Å; F93-F143 AromaticContact CE1-CE1 3.89Å; F93-F143 HydrophobicContact CE1-CE1 3.89Å; F93-I193 HydrophobicContact CE2-CG2 4.29Å; F93-K197 HydrophobicContact CE2-CG 4.16Å; F93-K197 HydrophobicContact CZ-CG 4.27Å; F93-F198 HydrophobicContact CE1-CE2 4.29Å; F93-F198 AromaticContact CE1-CZ 3.82Å; F93-F198 HydrophobicContact CE1-CZ 3.82Å; F93-F198 HydrophobicContact CZ-CE2 4.14Å; F93-F198 HydrophobicContact CZ-CZ 4.09Å |
| 94 | V | 96.2 | Very high | 95.4 | Very high | 47 Ų | 47 | 46.9 Ų | 46.9 | 29% | 0.285 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.9 | -38.2 | 178.9 | 179.2 | 0 | 0 | 0 | 0 | 111.4 | Y92 L97 L98 F143 | Y92-V94 VanDerWaalsContact C-N 3.31Å; Y92-V94 PolarHBondContact O-N 2.92Å; V94-L97 WeakPolarHBondContact O-CB 3.22Å; V94-L97 PolarHBondContact O-N 3.29Å; V94-L98 HydrophobicContact CG1-CD1 4.23Å; V94-L98 HydrophobicContact CG1-CG 4.38Å; V94-L98 VanDerWaalsContact O-CG 3.28Å; V94-L98 WeakPolarHBondContact O-CG 3.46Å; V94-L98 PolarHBondContact O-N 2.69Å; V94-F143 HydrophobicContact CG2-CE1 4.03Å; V94-F143 HydrophobicContact CG2-CZ 4.14Å |
| 95 | H | 97.3 | Very high | 95.5 | Very high | 92 Ų | 92 | 48.2 Ų | 48.2 | 43% | 0.426 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.4 | -43.7 | 176.2 | -63.3 | 81.7 | 0 | 0 | 0 | 111 | F84 Y92 F93 L98 M99 | F84-H95 HydrophobicContact CB-CB 4.27Å; F84-H95 HydrophobicContact CD1-CB 4.07Å; F84-H95 HydrophobicContact CD2-CB 3.83Å; F84-H95 HydrophobicContact CE1-CB 4.37Å; F84-H95 HydrophobicContact CE2-CB 4.14Å; F84-H95 HydrophobicContact CG-CB 3.8Å; F84-H95 HydrophobicContact CZ-CB 4.4Å; Y92-H95 HydrophobicContact CD1-CB 4.37Å; Y92-H95 WeakPolarHBondContact O-CB 3.25Å; Y92-H95 PolarHBondContact O-N 2.84Å; F93-H95 VanDerWaalsContact C-N 3.33Å; F93-H95 PolarHBondContact O-N 3.14Å; H95-L98 PolarHBondContact O-N 3.08Å; H95-M99 WeakPolarHBondContact O-CG 3.45Å; H95-M99 PolarHBondContact O-N 2.96Å |
| 96 | G | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.4 | -49.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | Y92 F93 L98 M99 F100 | Y92-G96 PolarHBondContact O-N 3.2Å; F93-G96 PolarHBondContact O-N 3.29Å; G96-L98 VanDerWaalsContact C-N 3.32Å; G96-L98 PolarHBondContact O-N 3.22Å; G96-M99 PolarHBondContact O-N 2.94Å; G96-F100 WeakPolarHBondContact O-CD2 3.36Å; G96-F100 PolarHBondContact O-N 3.46Å |
| 97 | L | 96.3 | Very high | 95.9 | Very high | 22 Ų | 22 | 47.7 Ų | 47.7 | 12% | 0.115 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -55.9 | -44.4 | 177.5 | -169.6 | 74.6 | 0 | 0 | 0 | 112 | F93 V94 F100 A101 L146 Y150 | F93-L97 WeakPolarHBondContact O-CB 3.3Å; F93-L97 PolarHBondContact O-N 2.93Å; V94-L97 WeakPolarHBondContact O-CB 3.22Å; V94-L97 PolarHBondContact O-N 3.29Å; L97-F100 PolarHBondContact O-N 3.34Å; L97-A101 WeakPolarHBondContact O-CB 3.34Å; L97-A101 PolarHBondContact O-N 3.17Å; L97-L146 HydrophobicContact CD2-CB 4.31Å; L97-Y150 HydrophobicContact CD1-CD1 4.06Å; L97-Y150 HydrophobicContact CD1-CD2 3.34Å; L97-Y150 HydrophobicContact CD1-CE1 4.17Å; L97-Y150 HydrophobicContact CD1-CE2 3.46Å; L97-Y150 VanDerWaalsContact CD1-CE2 3.46Å; L97-Y150 HydrophobicContact CD1-CG 3.63Å; L97-Y150 HydrophobicContact CG-CD2 3.66Å; L97-Y150 HydrophobicContact CG-CE2 3.98Å; L97-Y150 HydrophobicContact CG-CG 4.25Å; L97-Y150 WeakPolarHBondContact O-CE2 3.3Å |
| 98 | L | 97.4 | Very high | 95.9 | Very high | 88 Ų | 88 | 45.8 Ų | 45.8 | 46% | 0.461 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.6 | -41.1 | 178.2 | -69.6 | 174 | 0 | 0 | 0 | 112.3 | V94 H95 G96 F100 A101 I102 | V94-L98 HydrophobicContact CG1-CD1 4.23Å; V94-L98 HydrophobicContact CG1-CG 4.38Å; V94-L98 VanDerWaalsContact O-CG 3.28Å; V94-L98 WeakPolarHBondContact O-CG 3.46Å; V94-L98 PolarHBondContact O-N 2.69Å; H95-L98 PolarHBondContact O-N 3.08Å; G96-L98 VanDerWaalsContact C-N 3.32Å; G96-L98 PolarHBondContact O-N 3.22Å; L98-F100 VanDerWaalsContact C-N 3.34Å; L98-F100 PolarHBondContact O-N 2.96Å; L98-A101 WeakPolarHBondContact O-CB 3.38Å; L98-A101 PolarHBondContact O-N 3.03Å; L98-I102 WeakPolarHBondContact O-CG1 3.48Å; L98-I102 PolarHBondContact O-N 2.99Å |
| 99 | M | 98.3 | Very high | 96.1 | Very high | 36 Ų | 36 | 44.8 Ų | 44.8 | 18% | 0.177 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.3 | -39.6 | 175.9 | -65.1 | -57.3 | 103.7 | 0 | 0 | 111.7 | F77 L80 F84 H95 G96 I102 T103 | F77-M99 HydrophobicContact CD1-SD 3.63Å; F77-M99 HydrophobicContact CE1-SD 4.04Å; F77-M99 WeakPolarHBondContact O-CB 3.38Å; L80-M99 HydrophobicContact CB-CG 4.07Å; L80-M99 HydrophobicContact CB-SD 4.27Å; L80-M99 HydrophobicContact CD1-SD 4.35Å; F84-M99 HydrophobicContact CD2-CG 3.67Å; F84-M99 HydrophobicContact CE2-CG 3.65Å; F84-M99 HydrophobicContact CE2-SD 4.25Å; H95-M99 WeakPolarHBondContact O-CG 3.45Å; H95-M99 PolarHBondContact O-N 2.96Å; G96-M99 PolarHBondContact O-N 2.94Å; M99-I102 HydrophobicContact CE-CD1 3.98Å; M99-I102 PolarHBondContact O-N 3.01Å; M99-T103 PolarHBondContact O-N 3.28Å; M99-T103 PolarHBondContact O-OG1 3.32Å |
| 100 | F | 98.1 | Very high | 96.3 | Very high | 6 Ų | 6 | 39 Ų | 39 | 3% | 0.026 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.6 | -35 | 172.9 | -74.7 | -65.5 | 0 | 0 | 0 | 112.7 | L85 G96 L97 L98 I102 T103 H104 Y150 F186 Y213 | L85-F100 HydrophobicContact CD1-CD2 4.4Å; L85-F100 HydrophobicContact CD1-CE2 3.57Å; L85-F100 HydrophobicContact CD1-CZ 4.34Å; L85-F100 HydrophobicContact CG-CE2 4.13Å; G96-F100 WeakPolarHBondContact O-CD2 3.36Å; G96-F100 PolarHBondContact O-N 3.46Å; L97-F100 PolarHBondContact O-N 3.34Å; L98-F100 VanDerWaalsContact C-N 3.34Å; L98-F100 PolarHBondContact O-N 2.96Å; F100-I102 VanDerWaalsContact C-N 3.32Å; F100-I102 PolarHBondContact O-N 3.31Å; F100-T103 WeakPolarHBondContact O-CA 3.44Å; F100-T103 VanDerWaalsContact O-CB 3.24Å; F100-T103 WeakPolarHBondContact O-CB 3.02Å; F100-T103 PolarHBondContact O-N 3.34Å; F100-T103 VanDerWaalsContact O-N 3.12Å; F100-H104 PolarHBondContact O-CD2 3.31Å; F100-H104 VanDerWaalsContact O-CG 3.29Å; F100-H104 PolarHBondContact O-N 3.08Å; F100-Y150 HydrophobicContact CB-CE2 3.91Å; F100-Y150 VanDerWaalsContact CB-OH 3.22Å; F100-Y150 WeakPolarHBondContact CB-OH 3.3Å; F100-F186 HydrophobicContact CD1-CE1 4.12Å; F100-F186 AromaticContact CD1-CZ 3.75Å; F100-F186 HydrophobicContact CD1-CZ 3.75Å; F100-F186 HydrophobicContact CE1-CE1 4.39Å; F100-F186 AromaticContact CE1-CZ 3.94Å; F100-F186 HydrophobicContact CE1-CZ 3.94Å; F100-Y213 AromaticContact CE1-CE2 3.88Å; F100-Y213 HydrophobicContact CE1-CE2 3.88Å; F100-Y213 HydrophobicContact CZ-CE2 4.48Å |
| 101 | A | 98.2 | Very high | 96.4 | Very high | 14 Ų | 14 | 35.3 Ų | 35.3 | 12% | 0.116 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.3 | -43.2 | 173.5 | 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 3.17Å; L98-A101 WeakPolarHBondContact O-CB 3.38Å; L98-A101 PolarHBondContact O-N 3.03Å; A101-T103 VanDerWaalsContact C-N 3.32Å; A101-T103 PolarHBondContact O-N 3.24Å; A101-H104 PolarHBondContact O-N 2.82Å; A101-I105 WeakPolarHBondContact O-CG1 3.28Å; A101-I105 PolarHBondContact O-N 3.43Å; A101-I105 VanDerWaalsContact O-N 3.09Å; A101-Y150 HydrophobicContact CB-CD2 4.16Å; A101-Y150 HydrophobicContact CB-CE2 4.32Å; A101-L153 HydrophobicContact CB-CD1 3.8Å |
| 102 | I | 98.6 | Very high | 96.4 | Very high | 58 Ų | 58 | 34 Ų | 34 | 30% | 0.297 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62 | -42 | 173.5 | -64.2 | 166.8 | 0 | 0 | 0 | 110.6 | F77 L98 M99 F100 H104 I105 L106 | F77-I102 HydrophobicContact CB-CG2 4.34Å; F77-I102 HydrophobicContact CD1-CB 4.2Å; F77-I102 HydrophobicContact CD1-CD1 4.06Å; F77-I102 HydrophobicContact CD1-CG2 3.87Å; F77-I102 HydrophobicContact CD2-CG2 3.58Å; F77-I102 HydrophobicContact CE1-CD1 3.89Å; F77-I102 HydrophobicContact CE1-CG2 4.03Å; F77-I102 HydrophobicContact CE2-CG2 3.76Å; F77-I102 HydrophobicContact CG-CB 4.2Å; F77-I102 HydrophobicContact CG-CG2 3.65Å; F77-I102 HydrophobicContact CZ-CG2 3.98Å; L98-I102 WeakPolarHBondContact O-CG1 3.48Å; L98-I102 PolarHBondContact O-N 2.99Å; M99-I102 HydrophobicContact CE-CD1 3.98Å; M99-I102 PolarHBondContact O-N 3.01Å; F100-I102 VanDerWaalsContact C-N 3.32Å; F100-I102 PolarHBondContact O-N 3.31Å; I102-H104 VanDerWaalsContact C-N 3.35Å; I102-H104 PolarHBondContact O-N 3.5Å; I102-I105 PolarHBondContact O-N 3.41Å; I102-L106 HydrophobicContact CG2-CD1 3.87Å; I102-L106 HydrophobicContact CG2-CG 4.35Å; I102-L106 WeakPolarHBondContact O-CG 3.4Å; I102-L106 PolarHBondContact O-N 3Å |
| 103 | T | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55.5 | -49.4 | 175.1 | -57.8 | 0 | 0 | 0 | 0 | 111.2 | G74 F77 S78 M99 F100 A101 I105 L106 Y107 F186 | G74-T103 WeakPolarHBondContact O-CG2 3.35Å; G74-T103 PolarHBondContact O-OG1 3.38Å; F77-T103 WeakPolarHBondContact CB-OG1 3.34Å; S78-T103 PolarHBondContact N-OG1 2.84Å; S78-T103 VanDerWaalsContact N-OG1 3.15Å; M99-T103 PolarHBondContact O-N 3.28Å; M99-T103 PolarHBondContact O-OG1 3.32Å; F100-T103 WeakPolarHBondContact O-CA 3.44Å; F100-T103 VanDerWaalsContact O-CB 3.24Å; F100-T103 WeakPolarHBondContact O-CB 3.02Å; F100-T103 PolarHBondContact O-N 3.34Å; F100-T103 VanDerWaalsContact O-N 3.12Å; A101-T103 VanDerWaalsContact C-N 3.32Å; A101-T103 PolarHBondContact O-N 3.24Å; T103-I105 VanDerWaalsContact C-N 3.34Å; T103-I105 PolarHBondContact O-N 3.34Å; T103-L106 PolarHBondContact O-N 3.02Å; T103-L106 VanDerWaalsContact O-N 3.17Å; T103-Y107 HydrophobicContact CG2-CD2 3.85Å; T103-Y107 HydrophobicContact CG2-CE1 4.22Å; T103-Y107 HydrophobicContact CG2-CE2 3.48Å; T103-Y107 VanDerWaalsContact CG2-CE2 3.48Å; T103-Y107 HydrophobicContact CG2-CG 4.39Å; T103-Y107 PolarHBondContact O-N 2.82Å; T103-F186 HydrophobicContact CG2-CE2 4.41Å |
| 104 | H | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.5 | -39.2 | -179.7 | -65.1 | -36.2 | 0 | 0 | 0 | 112.4 | F100 A101 I102 S108 Y150 M157 F186 D190 | F100-H104 PolarHBondContact O-CD2 3.31Å; F100-H104 VanDerWaalsContact O-CG 3.29Å; F100-H104 PolarHBondContact O-N 3.08Å; A101-H104 PolarHBondContact O-N 2.82Å; I102-H104 VanDerWaalsContact C-N 3.35Å; I102-H104 PolarHBondContact O-N 3.5Å; H104-S108 VanDerWaalsContact O-CB 3.28Å; H104-S108 WeakPolarHBondContact O-CB 3.38Å; H104-S108 PolarHBondContact O-N 3.23Å; H104-S108 PolarHBondContact O-OG 3.5Å; H104-Y150 AromaticContact CD2-CE2 3.96Å; H104-Y150 AromaticContact CD2-CZ 3.77Å; H104-Y150 AromaticContact NE2-CZ 3.54Å; H104-Y150 PolarHBondContact NE2-OH 3.07Å; H104-Y150 VanDerWaalsContact NE2-OH 3.13Å; H104-M157 HydrophobicContact CB-SD 4.37Å; H104-M157 PolarHBondContact ND1-SD 2.92Å; H104-M157 VanDerWaalsContact ND1-SD 3.45Å; H104-F186 AromaticContact CE1-CD1 3.59Å; H104-F186 AromaticContact CE1-CE1 3.44Å; H104-F186 VanDerWaalsContact CE1-CE1 3.44Å; H104-F186 WeakPolarHBondContact CE1-CE1 3.22Å; H104-F186 AromaticContact CE1-CZ 3.75Å; H104-D190 IonicContact CE1-OD2 2.73Å; H104-D190 IonicContact NE2-OD2 3.1Å; H104-D190 PolarHBondContact NE2-OD2 3.39Å; H104-D190 VanDerWaalsContact NE2-OD2 3.08Å |
| 105 | I | 98.4 | Very high | 95.2 | Very high | 88 Ų | 88 | 41.6 Ų | 41.6 | 45% | 0.451 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.2 | -45.6 | 174.5 | -67.9 | 164 | 0 | 0 | 0 | 110.8 | A101 I102 T103 S108 S109 L153 | A101-I105 WeakPolarHBondContact O-CG1 3.28Å; A101-I105 PolarHBondContact O-N 3.43Å; A101-I105 VanDerWaalsContact O-N 3.09Å; I102-I105 PolarHBondContact O-N 3.41Å; T103-I105 VanDerWaalsContact C-N 3.34Å; T103-I105 PolarHBondContact O-N 3.34Å; I105-S108 PolarHBondContact O-N 3.01Å; I105-S109 VanDerWaalsContact O-CB 3.28Å; I105-S109 WeakPolarHBondContact O-CB 3.48Å; I105-S109 PolarHBondContact O-N 3.4Å; I105-L153 HydrophobicContact CD1-CD1 4.36Å; I105-L153 HydrophobicContact CD1-CD2 4.23Å; I105-L153 HydrophobicContact CG1-CD2 3.9Å |
| 106 | L | 98 | Very high | 94.8 | Very high | 37 Ų | 37 | 42.9 Ų | 42.9 | 19% | 0.194 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.6 | -44.5 | 180 | -71.8 | 169.7 | 0 | 0 | 0 | 111.6 | A73 F77 I102 T103 S109 A110 | A73-L106 HydrophobicContact CB-CD1 3.83Å; A73-L106 HydrophobicContact CB-CD2 4.44Å; F77-L106 HydrophobicContact CD2-CD1 3.58Å; F77-L106 HydrophobicContact CE2-CD1 4.03Å; I102-L106 HydrophobicContact CG2-CD1 3.87Å; I102-L106 HydrophobicContact CG2-CG 4.35Å; I102-L106 WeakPolarHBondContact O-CG 3.4Å; I102-L106 PolarHBondContact O-N 3Å; T103-L106 PolarHBondContact O-N 3.02Å; T103-L106 VanDerWaalsContact O-N 3.17Å; L106-S109 CarbonylContact O-C 3.6Å; L106-S109 WeakPolarHBondContact O-CB 3.4Å; L106-S109 PolarHBondContact O-N 3.03Å; L106-A110 WeakPolarHBondContact O-CB 3.43Å; L106-A110 PolarHBondContact O-N 3.32Å |
| 107 | Y | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.9 | -44.7 | 176.1 | -70.8 | -5.8 | 0 | 0 | 0 | 112.1 | I71 L75 T103 S109 A110 F111 M157 F186 Q217 I220 | I71-Y107 HydrophobicContact CB-CE1 4.4Å; I71-Y107 HydrophobicContact CG1-CD1 4.29Å; I71-Y107 HydrophobicContact CG1-CE1 4.49Å; I71-Y107 HydrophobicContact CG2-CE1 4.2Å; I71-Y107 WeakPolarHBondContact O-CE1 3.43Å; L75-Y107 VanDerWaalsContact CD2-OH 3.28Å; L75-Y107 WeakPolarHBondContact CD2-OH 3.42Å; L75-Y107 WeakPolarHBondContact CG-OH 3.32Å; L75-Y107 PolarHBondContact N-OH 3.48Å; T103-Y107 HydrophobicContact CG2-CD2 3.85Å; T103-Y107 HydrophobicContact CG2-CE1 4.22Å; T103-Y107 HydrophobicContact CG2-CE2 3.48Å; T103-Y107 VanDerWaalsContact CG2-CE2 3.48Å; T103-Y107 HydrophobicContact CG2-CG 4.39Å; T103-Y107 PolarHBondContact O-N 2.82Å; Y107-S109 VanDerWaalsContact C-N 3.25Å; Y107-S109 PolarHBondContact O-N 2.92Å; Y107-A110 WeakPolarHBondContact O-CA 3.48Å; Y107-A110 WeakPolarHBondContact O-CB 3.33Å; Y107-A110 PolarHBondContact O-N 2.89Å; Y107-F111 VanDerWaalsContact O-CD2 3.31Å; Y107-F111 WeakPolarHBondContact O-CD2 3.36Å; Y107-F111 VanDerWaalsContact O-CG 3.22Å; Y107-F111 WeakPolarHBondContact O-CG 3.36Å; Y107-F111 PolarHBondContact O-N 2.7Å; Y107-M157 VanDerWaalsContact CB-SD 3.59Å; Y107-M157 HydrophobicContact CD2-SD 3.76Å; Y107-M157 HydrophobicContact CG-SD 4.2Å; Y107-F186 HydrophobicContact CE2-CD2 4.4Å; Y107-F186 HydrophobicContact CE2-CE2 4.04Å; Y107-Q217 PolarHBondContact OH-OE1 2.87Å; Y107-I220 HydrophobicContact CD1-CG2 4.23Å; Y107-I220 HydrophobicContact CD2-CD1 3.7Å; Y107-I220 HydrophobicContact CD2-CG2 4.14Å; Y107-I220 HydrophobicContact CE1-CG2 4.1Å; Y107-I220 HydrophobicContact CE2-CD1 3.68Å; Y107-I220 HydrophobicContact CE2-CG2 3.99Å; Y107-I220 HydrophobicContact CG-CG2 4.25Å |
| 108 | S | 96.4 | Very high | 94.3 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.7 | -42.9 | 173 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | H104 I105 A110 F111 G112 M157 | H104-S108 VanDerWaalsContact O-CB 3.28Å; H104-S108 WeakPolarHBondContact O-CB 3.38Å; H104-S108 PolarHBondContact O-N 3.23Å; H104-S108 PolarHBondContact O-OG 3.5Å; I105-S108 PolarHBondContact O-N 3.01Å; S108-A110 VanDerWaalsContact C-N 3.32Å; S108-F111 PolarHBondContact O-N 3.28Å; S108-G112 PolarHBondContact O-N 2.9Å; S108-M157 WeakPolarHBondContact OG-CA 3.07Å; S108-M157 VanDerWaalsContact OG-CB 3.24Å; S108-M157 WeakPolarHBondContact OG-CB 3.36Å; S108-M157 PolarHBondContact OG-N 3.42Å |
| 109 | S | 94.9 | Very high | 94.1 | Very high | 40 Ų | 40 | 55 Ų | 55 | 28% | 0.28 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -69.8 | -29 | 177.5 | -169.9 | 0 | 0 | 0 | 0 | 112.7 | K70 I105 L106 Y107 | K70-S109 WeakPolarHBondContact CE-OG 3.48Å; K70-S109 PolarHBondContact NZ-O 2.65Å; K70-S109 PolarHBondContact NZ-OG 2.59Å; I105-S109 VanDerWaalsContact O-CB 3.28Å; I105-S109 WeakPolarHBondContact O-CB 3.48Å; I105-S109 PolarHBondContact O-N 3.4Å; L106-S109 CarbonylContact O-C 3.6Å; L106-S109 WeakPolarHBondContact O-CB 3.4Å; L106-S109 PolarHBondContact O-N 3.03Å; Y107-S109 VanDerWaalsContact C-N 3.25Å; Y107-S109 PolarHBondContact O-N 2.92Å |
| 110 | A | 93.1 | Very high | 93.9 | Very high | 10 Ų | 10 | 53.8 Ų | 53.8 | 8% | 0.083 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -73.7 | -37.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S67 K70 I71 L106 Y107 S108 G112 | S67-A110 PolarHBondContact OG-O 2.9Å; K70-A110 HydrophobicContact CB-CB 3.8Å; K70-A110 HydrophobicContact CD-CB 4.33Å; I71-A110 HydrophobicContact CD1-CB 4.08Å; I71-A110 HydrophobicContact CG1-CB 3.64Å; L106-A110 WeakPolarHBondContact O-CB 3.43Å; L106-A110 PolarHBondContact O-N 3.32Å; Y107-A110 WeakPolarHBondContact O-CA 3.48Å; Y107-A110 WeakPolarHBondContact O-CB 3.33Å; Y107-A110 PolarHBondContact O-N 2.89Å; S108-A110 VanDerWaalsContact C-N 3.32Å; A110-G112 PolarHBondContact O-N 3Å |
| 111 | F | 92.5 | Very high | 93.7 | Very high | 29 Ų | 29 | 53.8 Ų | 53.8 | 13% | 0.127 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -70.7 | -14.5 | 174.8 | -56.4 | -27.7 | 0 | 0 | 0 | 112.9 | Y107 S108 M157 R160 A161 A179 A183 I220 | Y107-F111 VanDerWaalsContact O-CD2 3.31Å; Y107-F111 WeakPolarHBondContact O-CD2 3.36Å; Y107-F111 VanDerWaalsContact O-CG 3.22Å; Y107-F111 WeakPolarHBondContact O-CG 3.36Å; Y107-F111 PolarHBondContact O-N 2.7Å; S108-F111 PolarHBondContact O-N 3.28Å; F111-M157 HydrophobicContact CD2-CG 4.21Å; F111-M157 HydrophobicContact CE2-CG 3.72Å; F111-M157 HydrophobicContact CE2-SD 4.44Å; F111-R160 HydrophobicContact CB-CB 4.1Å; F111-R160 HydrophobicContact CD2-CB 4.5Å; F111-A161 HydrophobicContact CD2-CB 3.77Å; F111-A161 HydrophobicContact CE2-CB 3.84Å; F111-A161 HydrophobicContact CG-CB 4.45Å; F111-A179 HydrophobicContact CD1-CB 4.04Å; F111-A179 HydrophobicContact CE1-CB 3.67Å; F111-A179 HydrophobicContact CZ-CB 4.19Å; F111-A183 HydrophobicContact CE2-CB 4.4Å; F111-I220 HydrophobicContact CE1-CG2 4.36Å; F111-I220 HydrophobicContact CZ-CD1 4.49Å; F111-I220 HydrophobicContact CZ-CG1 4.24Å; F111-I220 HydrophobicContact CZ-CG2 4.21Å |
| 112 | G | 90.2 | Very high | 93.6 | Very high | 24 Ų | 24 | 58.7 Ų | 58.7 | 25% | 0.247 | 30% | 0.301 | C | S | . | . | trans | 79.9 | 164.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S108 A110 R160 | S108-G112 PolarHBondContact O-N 2.9Å; A110-G112 PolarHBondContact O-N 3Å; G112-R160 PolarHBondContact O-NE 3.36Å; G112-R160 PolarHBondContact O-NH2 2.65Å | ||
| 113 | M | 88.3 | Confident | 93.5 | Very high | 101 Ų | 101 | 60.3 Ų | 60.3 | 50% | 0.498 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -97.4 | -6.7 | -174.8 | -61.6 | -58.9 | 164.7 | 0 | 0 | 114.2 | F156 R160 | M113-F156 HydrophobicContact CE-CE1 4.01Å; M113-F156 HydrophobicContact CE-CZ 4.06Å; M113-F156 HydrophobicContact SD-CE1 4.32Å; M113-F156 HydrophobicContact SD-CZ 3.82Å; M113-R160 PolarHBondContact O-NH2 3.36Å |
| 114 | K | 85.3 | Confident | 93.4 | Very high | 184 Ų | 184 | 60.9 Ų | 60.9 | 80% | 0.8 | 32% | 0.316 | S | S | * | . | trans | -122.6 | 143.4 | 176.9 | -67.1 | -176.2 | 179.6 | -178.7 | 0 | 109.9 | ||||
| 115 | P | 87.3 | Confident | 93.4 | Very high | 42 Ų | 42 | 65.1 Ų | 65.1 | 27% | 0.273 | 34% | 0.342 | S | S | . | . | S | Bend | cis | -72.6 | 163.6 | -4.6 | 36.1 | -41 | 0 | 0 | 0 | 112.2 | R160 A163 Q166 | P115-R160 PolarHBondContact O-NH1 2.99Å; P115-R160 PolarHBondContact O-NH2 3.33Å; P115-A163 WeakPolarHBondContact CG-O 3.32Å; P115-Q166 HydrophobicContact CG-CG 3.82Å |
| 116 | I | 88.5 | Confident | 93.4 | Very high | 119 Ų | 119 | 63.8 Ų | 63.8 | 61% | 0.61 | 35% | 0.345 | S | S | * | . | trans | -93.6 | 109.1 | 169.6 | -62.3 | 173.8 | 0 | 0 | 0 | 107.2 | V118 W159 | I116-V118 HydrophobicContact CG2-CG2 4.08Å; I116-W159 HydrophobicContact CG2-CZ2 4.06Å | ||
| 117 | N | 91 | Very high | 93.3 | Very high | 61 Ų | 61 | 65.3 Ų | 65.3 | 33% | 0.326 | 36% | 0.356 | S | S | . | . | trans | -101.9 | 92.7 | 175.2 | -174.6 | -22 | 0 | 0 | 0 | 109.2 | R119 A120 G121 W159 A163 | N117-R119 VanDerWaalsContact C-N 3.29Å; N117-R119 PolarHBondContact O-N 3.45Å; N117-R119 PolarHBondContact OD1-N 2.87Å; N117-A120 HydrophobicContact CB-CB 4.03Å; N117-A120 PolarHBondContact O-N 3.44Å; N117-A120 PolarHBondContact OD1-N 2.88Å; N117-G121 PolarHBondContact O-N 2.9Å; N117-W159 PolarHBondContact O-NE1 3.29Å; N117-A163 HydrophobicContact CB-CB 3.79Å | ||
| 118 | V | 92.4 | Very high | 93.3 | Very high | 92 Ų | 92 | 65.9 Ų | 65.9 | 56% | 0.558 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.4 | -38 | -176.2 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | I116 G121 L122 | I116-V118 HydrophobicContact CG2-CG2 4.08Å; V118-G121 PolarHBondContact O-N 3.28Å; V118-G121 VanDerWaalsContact O-N 3.16Å; V118-L122 HydrophobicContact CG1-CD1 4.19Å; V118-L122 HydrophobicContact CG1-CG 4.29Å; V118-L122 WeakPolarHBondContact O-CG 3.41Å; V118-L122 PolarHBondContact O-N 3.21Å |
| 119 | R | 93.2 | Very high | 93.4 | Very high | 211 Ų | 211 | 68 Ų | 68 | 80% | 0.796 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -62 | -48.7 | 178.9 | -65.3 | -177.3 | -174.2 | 169.5 | 1.5 | 111.4 | N117 G121 L122 V123 | N117-R119 VanDerWaalsContact C-N 3.29Å; N117-R119 PolarHBondContact O-N 3.45Å; N117-R119 PolarHBondContact OD1-N 2.87Å; R119-G121 VanDerWaalsContact C-N 3.26Å; R119-G121 PolarHBondContact O-N 2.89Å; R119-L122 PolarHBondContact O-N 3.02Å; R119-V123 WeakPolarHBondContact O-CG2 3.47Å; R119-V123 PolarHBondContact O-N 3.44Å |
| 120 | A | 92.4 | Very high | 93.5 | Very high | 11 Ų | 11 | 71 Ų | 71 | 9% | 0.091 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61 | -37.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | N117 V123 I124 I162 | N117-A120 HydrophobicContact CB-CB 4.03Å; N117-A120 PolarHBondContact O-N 3.44Å; N117-A120 PolarHBondContact OD1-N 2.88Å; A120-V123 PolarHBondContact O-N 2.97Å; A120-I124 WeakPolarHBondContact O-CB 3.37Å; A120-I124 WeakPolarHBondContact O-CG1 3.36Å; A120-I124 PolarHBondContact O-N 3.01Å; A120-I162 HydrophobicContact CB-CB 4.43Å; A120-I162 HydrophobicContact CB-CG2 3.68Å |
| 121 | G | 94.4 | Very high | 93.7 | Very high | 6 Ų | 6 | 71.9 Ų | 71.9 | 6% | 0.062 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.3 | -46 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | N117 V118 R119 V123 I124 T125 W159 | N117-G121 PolarHBondContact O-N 2.9Å; V118-G121 PolarHBondContact O-N 3.28Å; V118-G121 VanDerWaalsContact O-N 3.16Å; R119-G121 VanDerWaalsContact C-N 3.26Å; R119-G121 PolarHBondContact O-N 2.89Å; G121-V123 PolarHBondContact O-N 3.21Å; G121-I124 PolarHBondContact O-N 3.47Å; G121-T125 VanDerWaalsContact O-CB 3.28Å; G121-T125 WeakPolarHBondContact O-CB 3.25Å; G121-T125 PolarHBondContact O-N 3.28Å; G121-T125 PolarHBondContact O-OG1 2.76Å; G121-W159 VanDerWaalsContact CA-NE1 3.28Å; G121-W159 VanDerWaalsContact N-NE1 3.18Å |
| 122 | L | 96.6 | Very high | 94 | Very high | 117 Ų | 117 | 72.8 Ų | 72.8 | 61% | 0.613 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -61.3 | -44.7 | 176.3 | -71.3 | 173.5 | 0 | 0 | 0 | 111.9 | V118 R119 T125 A126 | V118-L122 HydrophobicContact CG1-CD1 4.19Å; V118-L122 HydrophobicContact CG1-CG 4.29Å; V118-L122 WeakPolarHBondContact O-CG 3.41Å; V118-L122 PolarHBondContact O-N 3.21Å; R119-L122 PolarHBondContact O-N 3.02Å; L122-T125 PolarHBondContact O-N 3.41Å; L122-A126 VanDerWaalsContact O-CB 3.3Å; L122-A126 WeakPolarHBondContact O-CB 3.17Å; L122-A126 PolarHBondContact O-N 3.42Å |
| 123 | V | 96.6 | Very high | 94.3 | Very high | 92 Ų | 92 | 77 Ų | 77 | 56% | 0.558 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -61.3 | -49.2 | 177.5 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | R119 A120 G121 T125 A126 V127 | R119-V123 WeakPolarHBondContact O-CG2 3.47Å; R119-V123 PolarHBondContact O-N 3.44Å; A120-V123 PolarHBondContact O-N 2.97Å; G121-V123 PolarHBondContact O-N 3.21Å; V123-T125 PolarHBondContact O-N 3.13Å; V123-A126 PolarHBondContact O-N 3.09Å; V123-V127 WeakPolarHBondContact O-CG2 3.37Å; V123-V127 PolarHBondContact O-N 3.19Å |
| 124 | I | 96.7 | Very high | 94.8 | Very high | 11 Ų | 11 | 77.7 Ų | 77.7 | 6% | 0.056 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -67.6 | -38.3 | -178.6 | -69 | -69.6 | 0 | 0 | 0 | 111.9 | A120 G121 V127 S128 G155 W159 I162 M184 | A120-I124 WeakPolarHBondContact O-CB 3.37Å; A120-I124 WeakPolarHBondContact O-CG1 3.36Å; A120-I124 PolarHBondContact O-N 3.01Å; G121-I124 PolarHBondContact O-N 3.47Å; I124-V127 PolarHBondContact O-N 3.33Å; I124-S128 VanDerWaalsContact O-CB 3.25Å; I124-S128 WeakPolarHBondContact O-CB 3.04Å; I124-S128 PolarHBondContact O-N 2.84Å; I124-S128 PolarHBondContact O-OG 3.25Å; I124-G155 WeakPolarHBondContact CG2-O 3.18Å; I124-W159 HydrophobicContact CB-CB 4.24Å; I124-W159 HydrophobicContact CG1-CB 4.48Å; I124-W159 HydrophobicContact CG2-CB 4.15Å; I124-I162 HydrophobicContact CD1-CD1 3.51Å; I124-I162 HydrophobicContact CG1-CD1 3.76Å; I124-M184 HydrophobicContact CD1-CE 4.2Å; I124-M184 HydrophobicContact CD1-SD 4.41Å |
| 125 | T | 97.2 | Very high | 95.3 | Very high | 89 Ų | 89 | 69.1 Ų | 69.1 | 55% | 0.546 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 173.1 | -63.4 | 0 | 0 | 0 | 0 | 111.1 | G121 L122 V123 S128 A129 | G121-T125 VanDerWaalsContact O-CB 3.28Å; G121-T125 WeakPolarHBondContact O-CB 3.25Å; G121-T125 PolarHBondContact O-N 3.28Å; G121-T125 PolarHBondContact O-OG1 2.76Å; L122-T125 PolarHBondContact O-N 3.41Å; V123-T125 PolarHBondContact O-N 3.13Å; T125-S128 PolarHBondContact O-N 3.49Å; T125-A129 VanDerWaalsContact O-CB 3.23Å; T125-A129 WeakPolarHBondContact O-CB 3.25Å; T125-A129 PolarHBondContact O-N 3.24Å |
| 126 | A | 97.8 | Very high | 95.8 | Very high | 61 Ų | 61 | 73.2 Ų | 73.2 | 50% | 0.504 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L122 V123 A129 L130 | L122-A126 VanDerWaalsContact O-CB 3.3Å; L122-A126 WeakPolarHBondContact O-CB 3.17Å; L122-A126 PolarHBondContact O-N 3.42Å; V123-A126 PolarHBondContact O-N 3.09Å; A126-A129 PolarHBondContact O-N 3.43Å; A126-L130 WeakPolarHBondContact O-CB 3.4Å; A126-L130 PolarHBondContact O-N 3.4Å |
| 127 | V | 97.7 | Very high | 96.2 | Very high | 69 Ų | 69 | 72.3 Ų | 72.3 | 42% | 0.418 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 175 | 171.9 | 0 | 0 | 0 | 0 | 111 | V123 I124 A129 L130 C131 | V123-V127 WeakPolarHBondContact O-CG2 3.37Å; V123-V127 PolarHBondContact O-N 3.19Å; I124-V127 PolarHBondContact O-N 3.33Å; V127-A129 PolarHBondContact O-N 3.13Å; V127-L130 PolarHBondContact O-N 3.27Å; V127-C131 PolarHBondContact O-N 3.01Å; V127-C131 PolarHBondContact O-SG 2.87Å |
| 128 | S | 97.3 | Very high | 96.5 | Very high | 12 Ų | 12 | 75.1 Ų | 75.1 | 8% | 0.084 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 179.4 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | I124 T125 C131 Y132 I151 | I124-S128 VanDerWaalsContact O-CB 3.25Å; I124-S128 WeakPolarHBondContact O-CB 3.04Å; I124-S128 PolarHBondContact O-N 2.84Å; I124-S128 PolarHBondContact O-OG 3.25Å; T125-S128 PolarHBondContact O-N 3.49Å; S128-C131 PolarHBondContact O-N 3.46Å; S128-Y132 PolarHBondContact O-N 3.4Å; S128-I151 WeakPolarHBondContact O-CG2 3.32Å |
| 129 | A | 97.7 | Very high | 96.7 | Very high | 46 Ų | 46 | 71.5 Ų | 71.5 | 38% | 0.38 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.3 | -43.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | T125 A126 V127 Y132 L133 | T125-A129 VanDerWaalsContact O-CB 3.23Å; T125-A129 WeakPolarHBondContact O-CB 3.25Å; T125-A129 PolarHBondContact O-N 3.24Å; A126-A129 PolarHBondContact O-N 3.43Å; V127-A129 PolarHBondContact O-N 3.13Å; A129-Y132 PolarHBondContact O-N 3.46Å; A129-L133 WeakPolarHBondContact O-CB 3.3Å; A129-L133 VanDerWaalsContact O-CG 3.28Å; A129-L133 WeakPolarHBondContact O-CG 3.22Å; A129-L133 PolarHBondContact O-N 2.94Å |
| 130 | L | 97.8 | Very high | 96.7 | Very high | 104 Ų | 104 | 65.8 Ų | 65.8 | 55% | 0.545 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.4 | -47.4 | 174.7 | 179.5 | 62.4 | 0 | 0 | 0 | 111.2 | A126 V127 Y132 L133 L134 | A126-L130 WeakPolarHBondContact O-CB 3.4Å; A126-L130 PolarHBondContact O-N 3.4Å; V127-L130 PolarHBondContact O-N 3.27Å; L130-Y132 VanDerWaalsContact C-N 3.33Å; L130-Y132 PolarHBondContact O-N 2.83Å; L130-L133 PolarHBondContact O-N 3.16Å; L130-L134 HydrophobicContact CG-CD1 4.44Å; L130-L134 WeakPolarHBondContact O-CG 3.11Å; L130-L134 PolarHBondContact O-N 3.38Å |
| 131 | C | 97.4 | Very high | 96.8 | Very high | 28 Ų | 28 | 67.7 Ų | 67.7 | 19% | 0.189 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -57.8 | -44.9 | 175.3 | -69 | 0 | 0 | 0 | 0 | 111.9 | V127 S128 L134 L135 L191 | V127-C131 PolarHBondContact O-N 3.01Å; V127-C131 PolarHBondContact O-SG 2.87Å; S128-C131 PolarHBondContact O-N 3.46Å; C131-L134 PolarHBondContact O-N 3.16Å; C131-L135 WeakPolarHBondContact O-CG 3.43Å; C131-L135 PolarHBondContact O-N 3.37Å; C131-L135 VanDerWaalsContact O-N 3.13Å; C131-L191 HydrophobicContact CB-CD1 4.19Å |
| 132 | Y | 98 | Very high | 96.8 | Very high | 49 Ų | 49 | 71.9 Ų | 71.9 | 19% | 0.192 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 177.2 | 177.2 | -104.6 | 0 | 0 | 0 | 112.3 | S128 A129 L130 L134 L135 Y136 L139 T144 A148 I151 | S128-Y132 PolarHBondContact O-N 3.4Å; A129-Y132 PolarHBondContact O-N 3.46Å; L130-Y132 VanDerWaalsContact C-N 3.33Å; L130-Y132 PolarHBondContact O-N 2.83Å; Y132-L134 VanDerWaalsContact C-N 3.27Å; Y132-L134 PolarHBondContact O-N 3.15Å; Y132-L135 PolarHBondContact O-N 3.01Å; Y132-L135 VanDerWaalsContact O-N 3.1Å; Y132-Y136 HydrophobicContact CE1-CD2 4.05Å; Y132-Y136 AromaticContact CZ-CD2 3.84Å; Y132-Y136 WeakPolarHBondContact O-CB 3.28Å; Y132-Y136 PolarHBondContact O-N 3.25Å; Y132-Y136 WeakPolarHBondContact OH-CD2 3.36Å; Y132-L139 HydrophobicContact CD2-CD1 4.45Å; Y132-L139 HydrophobicContact CE2-CD1 3.91Å; Y132-T144 WeakPolarHBondContact OH-CG2 3.16Å; Y132-T144 PolarHBondContact OH-O 3.01Å; Y132-A148 HydrophobicContact CD2-CB 4.06Å; Y132-A148 HydrophobicContact CE2-CB 3.51Å; Y132-I151 HydrophobicContact CD2-CD1 4.11Å |
| 133 | L | 97.6 | Very high | 96.8 | Very high | 112 Ų | 112 | 69.3 Ų | 69.3 | 59% | 0.586 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -61.7 | -34.5 | 177.8 | -72.6 | 172.9 | 0 | 0 | 0 | 112.4 | A129 L130 P137 | A129-L133 WeakPolarHBondContact O-CB 3.3Å; A129-L133 VanDerWaalsContact O-CG 3.28Å; A129-L133 WeakPolarHBondContact O-CG 3.22Å; A129-L133 PolarHBondContact O-N 2.94Å; L130-L133 PolarHBondContact O-N 3.16Å; L133-P137 WeakPolarHBondContact O-CD 3.31Å |
| 134 | L | 97 | Very high | 96.8 | Very high | 115 Ų | 115 | 65.9 Ų | 65.9 | 60% | 0.602 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -70 | -34.6 | 174.3 | -68.2 | 173.9 | 0 | 0 | 0 | 112.6 | L130 C131 Y132 | L130-L134 HydrophobicContact CG-CD1 4.44Å; L130-L134 WeakPolarHBondContact O-CG 3.11Å; L130-L134 PolarHBondContact O-N 3.38Å; C131-L134 PolarHBondContact O-N 3.16Å; Y132-L134 VanDerWaalsContact C-N 3.27Å; Y132-L134 PolarHBondContact O-N 3.15Å |
| 135 | L | 97 | Very high | 96.7 | Very high | 4 Ų | 4 | 73.9 Ų | 73.9 | 2% | 0.021 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -78.4 | -33.3 | 177.5 | -67.4 | 170.3 | 0 | 0 | 0 | 112.3 | C131 Y132 P137 Y138 L139 V147 I151 A194 V195 C199 | C131-L135 WeakPolarHBondContact O-CG 3.43Å; C131-L135 PolarHBondContact O-N 3.37Å; C131-L135 VanDerWaalsContact O-N 3.13Å; Y132-L135 PolarHBondContact O-N 3.01Å; Y132-L135 VanDerWaalsContact O-N 3.1Å; L135-P137 VanDerWaalsContact C-CD 3.41Å; L135-Y138 WeakPolarHBondContact O-CB 3.47Å; L135-Y138 PolarHBondContact O-N 2.9Å; L135-L139 HydrophobicContact CB-CD1 4.33Å; L135-L139 PolarHBondContact O-N 3.11Å; L135-V147 HydrophobicContact CD1-CG1 4.16Å; L135-I151 HydrophobicContact CD1-CD1 3.73Å; L135-A194 HydrophobicContact CD1-CB 3.94Å; L135-A194 HydrophobicContact CD2-CB 4.18Å; L135-V195 HydrophobicContact CD2-CG2 4.05Å; L135-C199 WeakPolarHBondContact CD2-SG 3.31Å |
| 136 | Y | 97.5 | Very high | 96.7 | Very high | 129 Ų | 129 | 72.6 Ų | 72.6 | 51% | 0.506 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -48.9 | -44.3 | -170.2 | 178.8 | -102.7 | 0 | 0 | 0 | 115.4 | Y132 Y138 L139 T144 | Y132-Y136 HydrophobicContact CE1-CD2 4.05Å; Y132-Y136 AromaticContact CZ-CD2 3.84Å; Y132-Y136 WeakPolarHBondContact O-CB 3.28Å; Y132-Y136 PolarHBondContact O-N 3.25Å; Y132-Y136 WeakPolarHBondContact OH-CD2 3.36Å; Y136-Y138 PolarHBondContact O-N 2.96Å; Y136-Y138 VanDerWaalsContact O-N 3.08Å; Y136-L139 PolarHBondContact O-N 3.22Å; Y136-L139 VanDerWaalsContact O-N 3.13Å; Y136-T144 HydrophobicContact CD2-CG2 4Å; Y136-T144 HydrophobicContact CE2-CG2 3.67Å |
| 137 | P | 97.4 | Very high | 96.7 | Very high | 100 Ų | 100 | 70 Ų | 70 | 65% | 0.649 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -61 | -20.7 | 179.1 | -23.1 | 34.6 | 0 | 0 | 0 | 114.3 | L133 L135 | L133-P137 WeakPolarHBondContact O-CD 3.31Å; L135-P137 VanDerWaalsContact C-CD 3.41Å |
| 138 | Y | 96.7 | Very high | 96.7 | Very high | 119 Ų | 119 | 68.3 Ų | 68.3 | 47% | 0.467 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -100.9 | -5.6 | -177 | -55.1 | -87 | 0 | 0 | 0 | 113 | L135 Y136 F198 C199 | L135-Y138 WeakPolarHBondContact O-CB 3.47Å; L135-Y138 PolarHBondContact O-N 2.9Å; Y136-Y138 PolarHBondContact O-N 2.96Å; Y136-Y138 VanDerWaalsContact O-N 3.08Å; Y138-F198 WeakPolarHBondContact CB-O 3.36Å; Y138-C199 HydrophobicContact CD1-CB 4.24Å; Y138-C199 HydrophobicContact CD2-CB 4.09Å; Y138-C199 WeakPolarHBondContact CD2-SG 3.48Å; Y138-C199 HydrophobicContact CE1-CB 4.4Å; Y138-C199 HydrophobicContact CE2-CB 4.24Å; Y138-C199 HydrophobicContact CG-CB 4.08Å |
| 139 | L | 96 | Very high | 96.7 | Very high | 17 Ų | 17 | 72.1 Ų | 72.1 | 9% | 0.089 | 40% | 0.395 | C | S | . | . | trans | -91.6 | 135 | -179.3 | -60.9 | 177.5 | 0 | 0 | 0 | 110.4 | Y132 L135 Y136 V147 F198 | Y132-L139 HydrophobicContact CD2-CD1 4.45Å; Y132-L139 HydrophobicContact CE2-CD1 3.91Å; L135-L139 HydrophobicContact CB-CD1 4.33Å; L135-L139 PolarHBondContact O-N 3.11Å; Y136-L139 PolarHBondContact O-N 3.22Å; Y136-L139 VanDerWaalsContact O-N 3.13Å; L139-V147 HydrophobicContact CD1-CB 3.87Å; L139-V147 HydrophobicContact CD1-CG1 3.93Å; L139-V147 HydrophobicContact CD1-CG2 4.36Å; L139-V147 HydrophobicContact CD2-CB 4.38Å; L139-V147 HydrophobicContact CD2-CG2 3.97Å; L139-F198 HydrophobicContact CD2-CB 4.07Å; L139-F198 HydrophobicContact CD2-CD1 3.79Å; L139-F198 HydrophobicContact CD2-CD2 3.95Å; L139-F198 HydrophobicContact CD2-CE1 4.2Å; L139-F198 HydrophobicContact CD2-CE2 4.35Å; L139-F198 HydrophobicContact CD2-CG 3.66Å; L139-F198 HydrophobicContact CD2-CZ 4.46Å | ||
| 140 | S | 94.3 | Very high | 96.7 | Very high | 90 Ų | 90 | 71 Ų | 71 | 63% | 0.629 | 38% | 0.381 | S | S | * | . | trans | -131.4 | 144.5 | 177.7 | 62.4 | 0 | 0 | 0 | 0 | 112 | F143 | S140-F143 PolarHBondContact O-N 3.05Š| ||
| 141 | G | 95.2 | Very high | 96.7 | Very high | 51 Ų | 51 | 67.1 Ų | 67.1 | 53% | 0.526 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | -138.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | F143 T144 | G141-F143 PolarHBondContact O-N 3.3Å; G141-F143 VanDerWaalsContact O-N 3.15Å; G141-T144 PolarHBondContact O-N 3.15Å; G141-T144 PolarHBondContact O-OG1 3.06Å |
| 142 | P | 94.3 | Very high | 96.8 | Very high | 94 Ų | 94 | 68.7 Ų | 68.7 | 61% | 0.61 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -59.6 | -26.1 | -177.9 | -25.1 | 34.8 | 0 | 0 | 0 | 114.4 | T144 Y145 L146 | P142-T144 VanDerWaalsContact C-N 3.26Å; P142-T144 PolarHBondContact O-N 3.16Å; P142-Y145 PolarHBondContact O-N 3.35Å; P142-L146 HydrophobicContact CB-CD1 4.39Å; P142-L146 WeakPolarHBondContact O-CG 3.46Å; P142-L146 PolarHBondContact O-N 3.3Å |
| 143 | F | 95.2 | Very high | 96.8 | Very high | 63 Ų | 63 | 68.5 Ų | 68.5 | 28% | 0.276 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.7 | -27 | -178 | -74.4 | -66.5 | 0 | 0 | 0 | 113.3 | F93 V94 S140 G141 Y145 L146 V147 F198 | F93-F143 AromaticContact CD1-CE1 3.8Å; F93-F143 HydrophobicContact CD1-CE1 3.8Å; F93-F143 HydrophobicContact CD1-CZ 4.28Å; F93-F143 AromaticContact CE1-CE1 3.89Å; F93-F143 HydrophobicContact CE1-CE1 3.89Å; V94-F143 HydrophobicContact CG2-CE1 4.03Å; V94-F143 HydrophobicContact CG2-CZ 4.14Å; S140-F143 PolarHBondContact O-N 3.05Å; G141-F143 PolarHBondContact O-N 3.3Å; G141-F143 VanDerWaalsContact O-N 3.15Å; F143-Y145 VanDerWaalsContact C-N 3.3Å; F143-Y145 PolarHBondContact O-N 3.38Å; F143-L146 HydrophobicContact CD1-CD1 4.47Å; F143-L146 PolarHBondContact O-N 3.37Å; F143-V147 VanDerWaalsContact O-CB 3.26Å; F143-V147 WeakPolarHBondContact O-CB 3.47Å; F143-V147 VanDerWaalsContact O-CG2 3.25Å; F143-V147 WeakPolarHBondContact O-CG2 3.46Å; F143-V147 PolarHBondContact O-N 3.44Å; F143-F198 HydrophobicContact CB-CE1 4.11Å; F143-F198 HydrophobicContact CB-CZ 4.43Å; F143-F198 AromaticContact CD1-CE1 3.89Å; F143-F198 HydrophobicContact CD1-CE1 3.89Å; F143-F198 AromaticContact CD1-CZ 3.71Å; F143-F198 HydrophobicContact CD1-CZ 3.71Å; F143-F198 HydrophobicContact CD2-CE1 4.26Å; F143-F198 HydrophobicContact CE1-CE1 4.39Å; F143-F198 HydrophobicContact CE1-CZ 4.16Å; F143-F198 AromaticContact CG-CE1 3.82Å; F143-F198 HydrophobicContact CG-CE1 3.82Å; F143-F198 HydrophobicContact CG-CZ 4.1Å |
| 144 | T | 96.4 | Very high | 96.8 | Very high | 21 Ų | 21 | 63.7 Ų | 63.7 | 13% | 0.129 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -57 | -45.4 | 174.7 | -53.1 | 0 | 0 | 0 | 0 | 111.1 | Y132 Y136 G141 P142 A148 | Y132-T144 WeakPolarHBondContact OH-CG2 3.16Å; Y132-T144 PolarHBondContact OH-O 3.01Å; Y136-T144 HydrophobicContact CD2-CG2 4Å; Y136-T144 HydrophobicContact CE2-CG2 3.67Å; G141-T144 PolarHBondContact O-N 3.15Å; G141-T144 PolarHBondContact O-OG1 3.06Å; P142-T144 VanDerWaalsContact C-N 3.26Å; P142-T144 PolarHBondContact O-N 3.16Å; T144-A148 WeakPolarHBondContact O-CB 3.44Å; T144-A148 PolarHBondContact O-N 2.96Å |
| 145 | Y | 96.3 | Very high | 96.8 | Very high | 178 Ų | 178 | 58.4 Ų | 58.4 | 70% | 0.698 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -80.8 | -42.1 | 179.9 | -56.3 | -77.7 | 0 | 0 | 0 | 112.4 | P142 F143 V147 A148 V149 | P142-Y145 PolarHBondContact O-N 3.35Å; F143-Y145 VanDerWaalsContact C-N 3.3Å; F143-Y145 PolarHBondContact O-N 3.38Å; Y145-V147 PolarHBondContact O-N 3.03Å; Y145-A148 PolarHBondContact O-N 2.76Å; Y145-V149 WeakPolarHBondContact O-CG2 3.39Å; Y145-V149 PolarHBondContact O-N 3.48Å |
| 146 | L | 96.2 | Very high | 96.9 | Very high | 62 Ų | 62 | 61.7 Ų | 61.7 | 33% | 0.325 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.5 | -43.9 | -178.8 | -72.4 | 173.3 | 0 | 0 | 0 | 111.9 | L97 P142 F143 Y150 | L97-L146 HydrophobicContact CD2-CB 4.31Å; P142-L146 HydrophobicContact CB-CD1 4.39Å; P142-L146 WeakPolarHBondContact O-CG 3.46Å; P142-L146 PolarHBondContact O-N 3.3Å; F143-L146 HydrophobicContact CD1-CD1 4.47Å; F143-L146 PolarHBondContact O-N 3.37Å; L146-Y150 VanDerWaalsContact O-CB 3.3Å; L146-Y150 WeakPolarHBondContact O-CB 3.36Å; L146-Y150 PolarHBondContact O-N 2.79Å |
| 147 | V | 97.1 | Very high | 96.9 | Very high | 8 Ų | 8 | 55.5 Ų | 55.5 | 5% | 0.048 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.8 | -38.4 | 178.3 | 174.1 | 0 | 0 | 0 | 0 | 111 | L135 L139 F143 Y145 Y150 I151 F198 | L135-V147 HydrophobicContact CD1-CG1 4.16Å; L139-V147 HydrophobicContact CD1-CB 3.87Å; L139-V147 HydrophobicContact CD1-CG1 3.93Å; L139-V147 HydrophobicContact CD1-CG2 4.36Å; L139-V147 HydrophobicContact CD2-CB 4.38Å; L139-V147 HydrophobicContact CD2-CG2 3.97Å; F143-V147 VanDerWaalsContact O-CB 3.26Å; F143-V147 WeakPolarHBondContact O-CB 3.47Å; F143-V147 VanDerWaalsContact O-CG2 3.25Å; F143-V147 WeakPolarHBondContact O-CG2 3.46Å; F143-V147 PolarHBondContact O-N 3.44Å; Y145-V147 PolarHBondContact O-N 3.03Å; V147-Y150 PolarHBondContact O-N 3.11Å; V147-I151 HydrophobicContact CG1-CD1 3.66Å; V147-I151 HydrophobicContact CG1-CG1 4.21Å; V147-I151 WeakPolarHBondContact O-CB 3.49Å; V147-I151 VanDerWaalsContact O-CG1 3.31Å; V147-I151 WeakPolarHBondContact O-CG1 3.42Å; V147-I151 PolarHBondContact O-N 3.32Å; V147-F198 HydrophobicContact CG2-CE2 3.82Å; V147-F198 HydrophobicContact CG2-CZ 4.04Å |
| 148 | A | 97.5 | Very high | 96.9 | Very high | 33 Ų | 33 | 50.8 Ų | 50.8 | 27% | 0.273 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.1 | -49.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | Y132 T144 Y145 Y150 I151 A152 | Y132-A148 HydrophobicContact CD2-CB 4.06Å; Y132-A148 HydrophobicContact CE2-CB 3.51Å; T144-A148 WeakPolarHBondContact O-CB 3.44Å; T144-A148 PolarHBondContact O-N 2.96Å; Y145-A148 PolarHBondContact O-N 2.76Å; A148-Y150 VanDerWaalsContact C-N 3.34Å; A148-Y150 PolarHBondContact O-N 3.11Å; A148-I151 PolarHBondContact O-N 3.02Å; A148-A152 PolarHBondContact O-N 2.94Å |
| 149 | V | 98 | Very high | 96.9 | Very high | 91 Ų | 91 | 47.8 Ų | 47.8 | 55% | 0.552 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -62.3 | -43.8 | 177.4 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | Y145 A152 L153 | Y145-V149 WeakPolarHBondContact O-CG2 3.39Å; Y145-V149 PolarHBondContact O-N 3.48Å; V149-A152 WeakPolarHBondContact O-CB 3.38Å; V149-A152 PolarHBondContact O-N 2.96Å; V149-L153 HydrophobicContact CG1-CD1 4.28Å; V149-L153 WeakPolarHBondContact O-CG 3.33Å; V149-L153 PolarHBondContact O-N 3.33Å |
| 150 | Y | 98 | Very high | 96.9 | Very high | 23 Ų | 23 | 47.1 Ų | 47.1 | 9% | 0.09 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.8 | -46.1 | 179.2 | -171.7 | -91.6 | 0 | 0 | 0 | 112.6 | L97 F100 A101 H104 L146 V147 A148 A152 L153 I154 D190 | L97-Y150 HydrophobicContact CD1-CD1 4.06Å; L97-Y150 HydrophobicContact CD1-CD2 3.34Å; L97-Y150 HydrophobicContact CD1-CE1 4.17Å; L97-Y150 HydrophobicContact CD1-CE2 3.46Å; L97-Y150 VanDerWaalsContact CD1-CE2 3.46Å; L97-Y150 HydrophobicContact CD1-CG 3.63Å; L97-Y150 HydrophobicContact CG-CD2 3.66Å; L97-Y150 HydrophobicContact CG-CE2 3.98Å; L97-Y150 HydrophobicContact CG-CG 4.25Å; L97-Y150 WeakPolarHBondContact O-CE2 3.3Å; F100-Y150 HydrophobicContact CB-CE2 3.91Å; F100-Y150 VanDerWaalsContact CB-OH 3.22Å; F100-Y150 WeakPolarHBondContact CB-OH 3.3Å; A101-Y150 HydrophobicContact CB-CD2 4.16Å; A101-Y150 HydrophobicContact CB-CE2 4.32Å; H104-Y150 AromaticContact CD2-CE2 3.96Å; H104-Y150 AromaticContact CD2-CZ 3.77Å; H104-Y150 AromaticContact NE2-CZ 3.54Å; H104-Y150 PolarHBondContact NE2-OH 3.07Å; H104-Y150 VanDerWaalsContact NE2-OH 3.13Å; L146-Y150 VanDerWaalsContact O-CB 3.3Å; L146-Y150 WeakPolarHBondContact O-CB 3.36Å; L146-Y150 PolarHBondContact O-N 2.79Å; V147-Y150 PolarHBondContact O-N 3.11Å; A148-Y150 VanDerWaalsContact C-N 3.34Å; A148-Y150 PolarHBondContact O-N 3.11Å; Y150-A152 VanDerWaalsContact C-N 3.29Å; Y150-A152 PolarHBondContact O-N 3.16Å; Y150-L153 PolarHBondContact O-N 2.97Å; Y150-L153 VanDerWaalsContact O-N 3.13Å; Y150-I154 PolarHBondContact O-N 2.86Å; Y150-D190 HydrophobicContact CE1-CB 4.24Å; Y150-D190 PolarHBondContact OH-OD2 3.32Å |
| 151 | I | 98.1 | Very high | 96.9 | Very high | 22 Ų | 22 | 43 Ų | 43 | 11% | 0.113 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.4 | -38.8 | 176.4 | -72.9 | 173.4 | 0 | 0 | 0 | 111 | S128 Y132 L135 V147 A148 I154 G155 | S128-I151 WeakPolarHBondContact O-CG2 3.32Å; Y132-I151 HydrophobicContact CD2-CD1 4.11Å; L135-I151 HydrophobicContact CD1-CD1 3.73Å; V147-I151 HydrophobicContact CG1-CD1 3.66Å; V147-I151 HydrophobicContact CG1-CG1 4.21Å; V147-I151 WeakPolarHBondContact O-CB 3.49Å; V147-I151 VanDerWaalsContact O-CG1 3.31Å; V147-I151 WeakPolarHBondContact O-CG1 3.42Å; V147-I151 PolarHBondContact O-N 3.32Å; A148-I151 PolarHBondContact O-N 3.02Å; I151-I154 WeakPolarHBondContact O-CG2 3.46Å; I151-G155 PolarHBondContact O-N 3.48Å |
| 152 | A | 98.3 | Very high | 96.8 | Very high | 61 Ų | 61 | 42.6 Ų | 42.6 | 50% | 0.504 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.7 | -40.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A148 V149 Y150 F156 | A148-A152 PolarHBondContact O-N 2.94Å; V149-A152 WeakPolarHBondContact O-CB 3.38Å; V149-A152 PolarHBondContact O-N 2.96Å; Y150-A152 VanDerWaalsContact C-N 3.29Å; Y150-A152 PolarHBondContact O-N 3.16Å; A152-F156 VanDerWaalsContact O-CB 3.26Å; A152-F156 WeakPolarHBondContact O-CB 3.35Å; A152-F156 PolarHBondContact O-N 3.23Å |
| 153 | L | 98.4 | Very high | 96.7 | Very high | 46 Ų | 46 | 38.1 Ų | 38.1 | 24% | 0.241 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.1 | -48.3 | 178.5 | -70.7 | 174.9 | 0 | 0 | 0 | 112.6 | A101 I105 V149 Y150 F156 M157 | A101-L153 HydrophobicContact CB-CD1 3.8Å; I105-L153 HydrophobicContact CD1-CD1 4.36Å; I105-L153 HydrophobicContact CD1-CD2 4.23Å; I105-L153 HydrophobicContact CG1-CD2 3.9Å; V149-L153 HydrophobicContact CG1-CD1 4.28Å; V149-L153 WeakPolarHBondContact O-CG 3.33Å; V149-L153 PolarHBondContact O-N 3.33Å; Y150-L153 PolarHBondContact O-N 2.97Å; Y150-L153 VanDerWaalsContact O-N 3.13Å; L153-F156 WeakPolarHBondContact O-CB 3.41Å; L153-F156 PolarHBondContact O-N 2.93Å; L153-M157 PolarHBondContact O-N 3.28Å |
| 154 | I | 98.1 | Very high | 96.2 | Very high | 10 Ų | 10 | 35.7 Ų | 35.7 | 5% | 0.051 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.5 | -35.6 | 178.7 | -162.3 | -179.9 | 0 | 0 | 0 | 111.6 | Y150 I151 M157 G158 F186 M187 D190 | Y150-I154 PolarHBondContact O-N 2.86Å; I151-I154 WeakPolarHBondContact O-CG2 3.46Å; I154-M157 HydrophobicContact CG1-CE 3.88Å; I154-M157 WeakPolarHBondContact O-CB 3.41Å; I154-M157 PolarHBondContact O-N 3.43Å; I154-G158 PolarHBondContact O-N 3.21Å; I154-F186 HydrophobicContact CD1-CD1 4.38Å; I154-M187 HydrophobicContact CD1-CB 4.32Å; I154-M187 HydrophobicContact CD1-CG 3.85Å; I154-M187 HydrophobicContact CG1-CG 3.76Å; I154-D190 HydrophobicContact CD1-CB 3.8Å; I154-D190 WeakPolarHBondContact CD1-OD2 3.35Å |
| 155 | G | 98 | Very high | 95.5 | Very high | 4 Ų | 4 | 35.3 Ų | 35.3 | 4% | 0.041 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62 | -43 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I124 I151 M157 G158 W159 | I124-G155 WeakPolarHBondContact CG2-O 3.18Å; I151-G155 PolarHBondContact O-N 3.48Å; G155-M157 VanDerWaalsContact C-N 3.33Å; G155-M157 PolarHBondContact O-N 3.31Å; G155-G158 PolarHBondContact O-N 2.91Å; G155-W159 PolarHBondContact O-N 2.9Å |
| 156 | F | 97.9 | Very high | 94.4 | Very high | 73 Ų | 73 | 29.2 Ų | 29.2 | 32% | 0.32 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -60.3 | -43.1 | 174.3 | -177.3 | -101.5 | 0 | 0 | 0 | 111.8 | M113 A152 L153 W159 R160 | M113-F156 HydrophobicContact CE-CE1 4.01Å; M113-F156 HydrophobicContact CE-CZ 4.06Å; M113-F156 HydrophobicContact SD-CE1 4.32Å; M113-F156 HydrophobicContact SD-CZ 3.82Å; A152-F156 VanDerWaalsContact O-CB 3.26Å; A152-F156 WeakPolarHBondContact O-CB 3.35Å; A152-F156 PolarHBondContact O-N 3.23Å; L153-F156 WeakPolarHBondContact O-CB 3.41Å; L153-F156 PolarHBondContact O-N 2.93Å; F156-W159 AromaticContact CD2-CE3 3.66Å; F156-W159 HydrophobicContact CD2-CE3 3.66Å; F156-W159 AromaticContact CD2-CZ3 3.93Å; F156-W159 HydrophobicContact CD2-CZ3 3.93Å; F156-W159 AromaticContact CE2-CE3 3.81Å; F156-W159 HydrophobicContact CE2-CE3 3.81Å; F156-W159 AromaticContact CE2-CZ3 3.73Å; F156-W159 HydrophobicContact CE2-CZ3 3.73Å; F156-W159 PolarHBondContact O-N 2.75Å; F156-R160 HydrophobicContact CD1-CG 4.16Å; F156-R160 HydrophobicContact CE1-CG 3.77Å; F156-R160 HydrophobicContact CE2-CG 4.28Å; F156-R160 HydrophobicContact CZ-CG 3.83Å; F156-R160 WeakPolarHBondContact O-CG 3.46Å; F156-R160 PolarHBondContact O-N 3.45Å |
| 157 | M | 98.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.9 | -49.1 | 173.3 | -176.9 | -171.9 | 69.7 | 0 | 0 | 112.1 | H104 Y107 S108 F111 L153 I154 G155 W159 R160 A161 A183 F186 | H104-M157 HydrophobicContact CB-SD 4.37Å; H104-M157 PolarHBondContact ND1-SD 2.92Å; H104-M157 VanDerWaalsContact ND1-SD 3.45Å; Y107-M157 VanDerWaalsContact CB-SD 3.59Å; Y107-M157 HydrophobicContact CD2-SD 3.76Å; Y107-M157 HydrophobicContact CG-SD 4.2Å; S108-M157 WeakPolarHBondContact OG-CA 3.07Å; S108-M157 VanDerWaalsContact OG-CB 3.24Å; S108-M157 WeakPolarHBondContact OG-CB 3.36Å; S108-M157 PolarHBondContact OG-N 3.42Å; F111-M157 HydrophobicContact CD2-CG 4.21Å; F111-M157 HydrophobicContact CE2-CG 3.72Å; F111-M157 HydrophobicContact CE2-SD 4.44Å; L153-M157 PolarHBondContact O-N 3.28Å; I154-M157 HydrophobicContact CG1-CE 3.88Å; I154-M157 WeakPolarHBondContact O-CB 3.41Å; I154-M157 PolarHBondContact O-N 3.43Å; G155-M157 VanDerWaalsContact C-N 3.33Å; G155-M157 PolarHBondContact O-N 3.31Å; M157-W159 VanDerWaalsContact C-N 3.32Å; M157-W159 PolarHBondContact O-N 3.08Å; M157-R160 PolarHBondContact O-N 3.13Å; M157-A161 PolarHBondContact O-N 2.81Å; M157-A183 HydrophobicContact CE-CB 4.18Å; M157-F186 HydrophobicContact CE-CB 4.1Å; M157-F186 HydrophobicContact CE-CG 4.35Å |
| 158 | G | 97.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.7 | -43.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | I154 G155 A161 I162 | I154-G158 PolarHBondContact O-N 3.21Å; G155-G158 PolarHBondContact O-N 2.91Å; G158-A161 PolarHBondContact O-N 2.74Å; G158-I162 WeakPolarHBondContact O-CG1 3.27Å; G158-I162 PolarHBondContact O-N 3.34Å |
| 159 | W | 96.7 | Very high | 88.9 | Confident | 56 Ų | 56 | 40.1 Ų | 40.1 | 21% | 0.212 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.8 | -47.4 | 174.6 | 171.9 | 35 | 0 | 0 | 0 | 111.9 | I116 N117 G121 I124 G155 F156 M157 A161 I162 A163 | I116-W159 HydrophobicContact CG2-CZ2 4.06Å; N117-W159 PolarHBondContact O-NE1 3.29Å; G121-W159 VanDerWaalsContact CA-NE1 3.28Å; G121-W159 VanDerWaalsContact N-NE1 3.18Å; I124-W159 HydrophobicContact CB-CB 4.24Å; I124-W159 HydrophobicContact CG1-CB 4.48Å; I124-W159 HydrophobicContact CG2-CB 4.15Å; G155-W159 PolarHBondContact O-N 2.9Å; F156-W159 AromaticContact CD2-CE3 3.66Å; F156-W159 HydrophobicContact CD2-CE3 3.66Å; F156-W159 AromaticContact CD2-CZ3 3.93Å; F156-W159 HydrophobicContact CD2-CZ3 3.93Å; F156-W159 AromaticContact CE2-CE3 3.81Å; F156-W159 HydrophobicContact CE2-CE3 3.81Å; F156-W159 AromaticContact CE2-CZ3 3.73Å; F156-W159 HydrophobicContact CE2-CZ3 3.73Å; F156-W159 PolarHBondContact O-N 2.75Å; M157-W159 VanDerWaalsContact C-N 3.32Å; M157-W159 PolarHBondContact O-N 3.08Å; W159-A161 VanDerWaalsContact C-N 3.31Å; W159-A161 PolarHBondContact O-N 3.42Å; W159-I162 PolarHBondContact O-N 3.31Å; W159-A163 VanDerWaalsContact O-CB 3.25Å; W159-A163 WeakPolarHBondContact O-CB 3.13Å; W159-A163 PolarHBondContact O-N 2.9Å |
| 160 | R | 95.4 | Very high | 87 | Confident | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.015 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.4 | -39.1 | -179.9 | -67.4 | -42.9 | -51.9 | 147.6 | 11.8 | 112.1 | F111 G112 M113 P115 F156 M157 A163 G164 | F111-R160 HydrophobicContact CB-CB 4.1Å; F111-R160 HydrophobicContact CD2-CB 4.5Å; G112-R160 PolarHBondContact O-NE 3.36Å; G112-R160 PolarHBondContact O-NH2 2.65Å; M113-R160 PolarHBondContact O-NH2 3.36Å; P115-R160 PolarHBondContact O-NH1 2.99Å; P115-R160 PolarHBondContact O-NH2 3.33Å; F156-R160 HydrophobicContact CD1-CG 4.16Å; F156-R160 HydrophobicContact CE1-CG 3.77Å; F156-R160 HydrophobicContact CE2-CG 4.28Å; F156-R160 HydrophobicContact CZ-CG 3.83Å; F156-R160 WeakPolarHBondContact O-CG 3.46Å; F156-R160 PolarHBondContact O-N 3.45Å; M157-R160 PolarHBondContact O-N 3.13Å; R160-A163 PolarHBondContact O-N 3.44Å; R160-G164 PolarHBondContact O-N 3.47Å; R160-G164 VanDerWaalsContact O-N 3.08Å |
| 161 | A | 94.3 | Very high | 85.2 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 3% | 0.025 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.7 | -47.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F111 M157 G158 W159 G164 L165 A183 | F111-A161 HydrophobicContact CD2-CB 3.77Å; F111-A161 HydrophobicContact CE2-CB 3.84Å; F111-A161 HydrophobicContact CG-CB 4.45Å; M157-A161 PolarHBondContact O-N 2.81Å; G158-A161 PolarHBondContact O-N 2.74Å; W159-A161 VanDerWaalsContact C-N 3.31Å; W159-A161 PolarHBondContact O-N 3.42Å; A161-G164 PolarHBondContact O-N 2.89Å; A161-L165 PolarHBondContact O-N 3.28Å; A161-A183 HydrophobicContact CB-CB 3.68Å |
| 162 | I | 93.5 | Very high | 83.6 | Confident | 42 Ų | 42 | 47.9 Ų | 47.9 | 22% | 0.215 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.1 | -40.4 | 178.4 | -66.9 | 164.4 | 0 | 0 | 0 | 111.5 | A120 I124 G158 W159 G164 L165 C180 M184 | A120-I162 HydrophobicContact CB-CB 4.43Å; A120-I162 HydrophobicContact CB-CG2 3.68Å; I124-I162 HydrophobicContact CD1-CD1 3.51Å; I124-I162 HydrophobicContact CG1-CD1 3.76Å; G158-I162 WeakPolarHBondContact O-CG1 3.27Å; G158-I162 PolarHBondContact O-N 3.34Å; W159-I162 PolarHBondContact O-N 3.31Å; I162-G164 PolarHBondContact O-N 2.89Å; I162-L165 WeakPolarHBondContact O-CB 3.29Å; I162-L165 PolarHBondContact O-N 3.17Å; I162-L165 VanDerWaalsContact O-N 3.11Å; I162-C180 VanDerWaalsContact CG1-SG 3.57Å; I162-M184 HydrophobicContact CD1-CE 3.68Å; I162-M184 HydrophobicContact CD1-SD 4.06Å; I162-M184 HydrophobicContact CG1-CE 4.18Å |
| 163 | A | 91.2 | Very high | 82.5 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61 | -36.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | P115 N117 W159 R160 L165 | P115-A163 WeakPolarHBondContact CG-O 3.32Å; N117-A163 HydrophobicContact CB-CB 3.79Å; W159-A163 VanDerWaalsContact O-CB 3.25Å; W159-A163 WeakPolarHBondContact O-CB 3.13Å; W159-A163 PolarHBondContact O-N 2.9Å; R160-A163 PolarHBondContact O-N 3.44Å; A163-L165 VanDerWaalsContact C-N 3.31Å; A163-L165 PolarHBondContact O-N 2.97Å |
| 164 | G | 85 | Confident | 81.6 | Confident | 12 Ų | 12 | 48.8 Ų | 48.8 | 12% | 0.124 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.7 | -28.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R160 A161 I162 Q166 K176 | R160-G164 PolarHBondContact O-N 3.47Å; R160-G164 VanDerWaalsContact O-N 3.08Å; A161-G164 PolarHBondContact O-N 2.89Å; I162-G164 PolarHBondContact O-N 2.89Å; G164-Q166 VanDerWaalsContact C-N 3.33Å; G164-Q166 PolarHBondContact O-N 2.94Å; G164-K176 WeakPolarHBondContact O-CD 3.42Å; G164-K176 WeakPolarHBondContact O-CE 3.34Å; G164-K176 PolarHBondContact O-NZ 2.93Å |
| 165 | L | 82.6 | Confident | 80.7 | Confident | 13 Ų | 13 | 48.9 Ų | 48.9 | 7% | 0.068 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.3 | -38.9 | -174.5 | -157.9 | 68.1 | 0 | 0 | 0 | 113.4 | A161 I162 A163 L167 W172 K176 L177 C180 | A161-L165 PolarHBondContact O-N 3.28Å; I162-L165 WeakPolarHBondContact O-CB 3.29Å; I162-L165 PolarHBondContact O-N 3.17Å; I162-L165 VanDerWaalsContact O-N 3.11Å; A163-L165 VanDerWaalsContact C-N 3.31Å; A163-L165 PolarHBondContact O-N 2.97Å; L165-L167 VanDerWaalsContact C-N 3.27Å; L165-L167 HydrophobicContact CD2-CD1 3.6Å; L165-L167 HydrophobicContact CD2-CD2 3.98Å; L165-L167 HydrophobicContact CD2-CG 3.63Å; L165-L167 HydrophobicContact CG-CD1 4.35Å; L165-L167 HydrophobicContact CG-CD2 4.05Å; L165-L167 HydrophobicContact CG-CG 3.81Å; L165-L167 PolarHBondContact O-N 3.34Å; L165-L167 VanDerWaalsContact O-N 3.17Å; L165-W172 VanDerWaalsContact CG-CD1 3.44Å; L165-W172 VanDerWaalsContact O-CD1 3.32Å; L165-K176 HydrophobicContact CD1-CB 3.99Å; L165-K176 VanDerWaalsContact CD1-O 3.27Å; L165-K176 WeakPolarHBondContact CD1-O 3.34Å; L165-L177 HydrophobicContact CD1-CB 4.33Å; L165-L177 HydrophobicContact CD1-CD1 4.36Å; L165-C180 HydrophobicContact CD1-CB 3.92Å; L165-C180 HydrophobicContact CD2-CB 4.35Å |
| 166 | Q | 72.5 | Confident | 80.1 | Confident | 49 Ų | 49 | 51.3 Ų | 51.3 | 23% | 0.229 | 26% | 0.261 | C | S | . | . | trans | 45.7 | 44.9 | 176.2 | -64.6 | -179.9 | -49.9 | 0 | 0 | 114.5 | P115 G164 T168 N169 | P115-Q166 HydrophobicContact CG-CG 3.82Å; G164-Q166 VanDerWaalsContact C-N 3.33Å; G164-Q166 PolarHBondContact O-N 2.94Å; Q166-T168 PolarHBondContact O-N 3.09Å; Q166-N169 PolarHBondContact O-N 3.41Å | ||
| 167 | L | 62.6 | Low | 79.7 | Confident | 111 Ų | 111 | 49.4 Ų | 49.4 | 58% | 0.581 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -53.7 | -28 | -177.4 | -72 | 168.9 | 0 | 0 | 0 | 114.4 | L165 W172 | L165-L167 VanDerWaalsContact C-N 3.27Å; L165-L167 HydrophobicContact CD2-CD1 3.6Å; L165-L167 HydrophobicContact CD2-CD2 3.98Å; L165-L167 HydrophobicContact CD2-CG 3.63Å; L165-L167 HydrophobicContact CG-CD1 4.35Å; L165-L167 HydrophobicContact CG-CD2 4.05Å; L165-L167 HydrophobicContact CG-CG 3.81Å; L165-L167 PolarHBondContact O-N 3.34Å; L165-L167 VanDerWaalsContact O-N 3.17Å; L167-W172 HydrophobicContact CD2-CB 4.34Å; L167-W172 HydrophobicContact CD2-CD2 4.19Å; L167-W172 HydrophobicContact CD2-CG 3.83Å |
| 168 | T | 56 | Low | 79.4 | Confident | 127 Ų | 127 | 50.2 Ų | 50.2 | 78% | 0.779 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -82.7 | -10.9 | -172.8 | 55.1 | 0 | 0 | 0 | 0 | 114.5 | Q166 | Q166-T168 PolarHBondContact O-N 3.09Š|
| 169 | N | 56.8 | Low | 79.2 | Confident | 94 Ų | 94 | 50.6 Ų | 50.6 | 50% | 0.503 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -112.9 | 14.2 | -169.2 | -65.2 | -2.1 | 0 | 0 | 0 | 113.1 | Q166 L171 | Q166-N169 PolarHBondContact O-N 3.41Å; N169-L171 HydrophobicContact CB-CB 4.46Å; N169-L171 HydrophobicContact CB-CD1 4.27Å; N169-L171 HydrophobicContact CB-CG 4.34Å; N169-L171 WeakPolarHBondContact O-CG 3.37Å; N169-L171 PolarHBondContact O-N 3.32Å |
| 170 | D | 58.7 | Low | 79.1 | Confident | 142 Ų | 142 | 48.6 Ų | 48.6 | 76% | 0.759 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 8.5 | -170.7 | -65.4 | -27.7 | 0 | 0 | 0 | 115.2 | M1 W172 | M1-D170 WeakPolarHBondContact CE-O 3.23Å; D170-W172 VanDerWaalsContact C-N 3.31Å |
| 171 | L | 60.6 | Low | 79.2 | Confident | 102 Ų | 102 | 52.3 Ų | 52.3 | 53% | 0.534 | 28% | 0.277 | S | S | . | . | trans | -94.4 | 17.4 | 179.7 | -67.7 | 175.3 | 0 | 0 | 0 | 112.9 | N169 K176 | N169-L171 HydrophobicContact CB-CB 4.46Å; N169-L171 HydrophobicContact CB-CD1 4.27Å; N169-L171 HydrophobicContact CB-CG 4.34Å; N169-L171 WeakPolarHBondContact O-CG 3.37Å; N169-L171 PolarHBondContact O-N 3.32Å; L171-K176 PolarHBondContact O-NZ 3.39Å | ||
| 172 | W | 64.4 | Low | 79.3 | Confident | 55 Ų | 55 | 52.2 Ų | 52.2 | 21% | 0.208 | 28% | 0.276 | C | S | . | . | trans | -76.8 | 137.4 | 177 | 178.3 | 69.9 | 0 | 0 | 0 | 110.7 | M1 L165 L167 D170 W174 L177 | M1-W172 WeakPolarHBondContact CE-O 3.45Å; L165-W172 VanDerWaalsContact CG-CD1 3.44Å; L165-W172 VanDerWaalsContact O-CD1 3.32Å; L167-W172 HydrophobicContact CD2-CB 4.34Å; L167-W172 HydrophobicContact CD2-CD2 4.19Å; L167-W172 HydrophobicContact CD2-CG 3.83Å; D170-W172 VanDerWaalsContact C-N 3.31Å; W172-W174 HydrophobicContact CH2-CD2 4.42Å; W172-W174 HydrophobicContact CH2-CH2 4.16Å; W172-W174 HydrophobicContact CH2-CZ2 4Å; W172-W174 HydrophobicContact CH2-CZ3 4.41Å; W172-W174 HydrophobicContact CZ3-CZ2 4.18Å; W172-L177 HydrophobicContact CH2-CB 4.36Å; W172-L177 HydrophobicContact CH2-CD2 3.71Å; W172-L177 HydrophobicContact CH2-CG 4.44Å; W172-L177 HydrophobicContact CZ2-CB 3.38Å; W172-L177 HydrophobicContact CZ2-CD1 3.67Å; W172-L177 HydrophobicContact CZ2-CD2 3.27Å; W172-L177 HydrophobicContact CZ2-CG 3.54Å | ||
| 173 | T | 75.4 | Confident | 79.5 | Confident | 42 Ų | 42 | 50.2 Ų | 50.2 | 26% | 0.258 | 27% | 0.265 | S | S | . | . | trans | -129.1 | 155.4 | 179 | 57.2 | 0 | 0 | 0 | 0 | 109.9 | T175 K176 L177 | T173-T175 VanDerWaalsContact C-N 3.25Å; T173-T175 WeakPolarHBondContact CB-OG1 3.41Å; T173-T175 PolarHBondContact O-N 3.39Å; T173-T175 PolarHBondContact OG1-OG1 3.41Å; T173-K176 PolarHBondContact O-N 3.43Å; T173-K176 WeakPolarHBondContact OG1-CD 3.17Å; T173-K176 VanDerWaalsContact OG1-CG 3.3Å; T173-K176 WeakPolarHBondContact OG1-CG 3.48Å; T173-K176 PolarHBondContact OG1-N 2.84Å; T173-L177 PolarHBondContact O-N 2.99Å | ||
| 174 | W | 78 | Confident | 79.8 | Confident | 84 Ų | 84 | 52.8 Ų | 52.8 | 32% | 0.318 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -56.3 | -39.4 | 175.2 | -74.8 | 99.4 | 0 | 0 | 0 | 112.4 | P4 W172 K176 L177 S178 E226 | P4-W174 HydrophobicContact CB-CD2 4.43Å; P4-W174 HydrophobicContact CB-CE3 4.47Å; P4-W174 HydrophobicContact CB-CH2 4.35Å; P4-W174 HydrophobicContact CB-CZ2 4.35Å; P4-W174 HydrophobicContact CB-CZ3 4.42Å; P4-W174 HydrophobicContact CG-CD2 3.61Å; P4-W174 HydrophobicContact CG-CE3 3.9Å; P4-W174 HydrophobicContact CG-CG 4.37Å; P4-W174 HydrophobicContact CG-CH2 3.34Å; P4-W174 HydrophobicContact CG-CZ2 3.03Å; P4-W174 HydrophobicContact CG-CZ3 3.77Å; W172-W174 HydrophobicContact CH2-CD2 4.42Å; W172-W174 HydrophobicContact CH2-CH2 4.16Å; W172-W174 HydrophobicContact CH2-CZ2 4Å; W172-W174 HydrophobicContact CH2-CZ3 4.41Å; W172-W174 HydrophobicContact CZ3-CZ2 4.18Å; W174-K176 PolarHBondContact O-N 3.32Å; W174-L177 HydrophobicContact CE3-CD2 3.86Å; W174-L177 HydrophobicContact CH2-CD2 4.38Å; W174-L177 HydrophobicContact CZ3-CD2 3.61Å; W174-L177 WeakPolarHBondContact O-CB 3.42Å; W174-L177 PolarHBondContact O-N 3.21Å; W174-S178 WeakPolarHBondContact O-CB 3.44Å; W174-S178 PolarHBondContact O-N 3.16Å; W174-S178 PolarHBondContact O-OG 3.15Å; W174-S178 VanDerWaalsContact O-OG 3.06Å; W174-E226 WeakPolarHBondContact CB-OE2 3.25Å |
| 175 | T | 79.8 | Confident | 80.5 | Confident | 13 Ų | 13 | 54.7 Ų | 54.7 | 8% | 0.08 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -52.3 | -49.4 | 169.3 | 46.2 | 0 | 0 | 0 | 0 | 114.3 | T173 L177 S178 A179 S223 E226 | T173-T175 VanDerWaalsContact C-N 3.25Å; T173-T175 WeakPolarHBondContact CB-OG1 3.41Å; T173-T175 PolarHBondContact O-N 3.39Å; T173-T175 PolarHBondContact OG1-OG1 3.41Å; T175-L177 VanDerWaalsContact C-N 3.32Å; T175-L177 PolarHBondContact O-N 2.84Å; T175-S178 PolarHBondContact O-N 3.38Å; T175-A179 PolarHBondContact O-N 3.02Å; T175-S223 WeakPolarHBondContact O-CB 3.36Å; T175-E226 HydrophobicContact CG2-CB 3.31Å; T175-E226 HydrophobicContact CG2-CG 3.57Å; T175-E226 WeakPolarHBondContact CG2-OE2 3.38Å; T175-E226 PolarHBondContact N-OE2 3.08Å |
| 176 | K | 86.2 | Confident | 81.2 | Confident | 54 Ų | 54 | 54 Ų | 54 | 24% | 0.235 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.2 | -36.4 | -179.4 | -70.8 | 168.3 | 167.7 | -169 | 0 | 111 | G164 L165 L171 T173 W174 A179 C180 | G164-K176 WeakPolarHBondContact O-CD 3.42Å; G164-K176 WeakPolarHBondContact O-CE 3.34Å; G164-K176 PolarHBondContact O-NZ 2.93Å; L165-K176 HydrophobicContact CD1-CB 3.99Å; L165-K176 VanDerWaalsContact CD1-O 3.27Å; L165-K176 WeakPolarHBondContact CD1-O 3.34Å; L171-K176 PolarHBondContact O-NZ 3.39Å; T173-K176 PolarHBondContact O-N 3.43Å; T173-K176 WeakPolarHBondContact OG1-CD 3.17Å; T173-K176 VanDerWaalsContact OG1-CG 3.3Å; T173-K176 WeakPolarHBondContact OG1-CG 3.48Å; T173-K176 PolarHBondContact OG1-N 2.84Å; W174-K176 PolarHBondContact O-N 3.32Å; K176-A179 PolarHBondContact O-N 3.28Å; K176-C180 WeakPolarHBondContact O-CB 3.1Å; K176-C180 PolarHBondContact O-N 2.91Å |
| 177 | L | 89.4 | Confident | 82.4 | Confident | 34 Ų | 34 | 53.2 Ų | 53.2 | 18% | 0.178 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.7 | -48.8 | 171.6 | -173.2 | 58.7 | 0 | 0 | 0 | 111.7 | L165 W172 T173 W174 T175 A179 C180 L181 | L165-L177 HydrophobicContact CD1-CB 4.33Å; L165-L177 HydrophobicContact CD1-CD1 4.36Å; W172-L177 HydrophobicContact CH2-CB 4.36Å; W172-L177 HydrophobicContact CH2-CD2 3.71Å; W172-L177 HydrophobicContact CH2-CG 4.44Å; W172-L177 HydrophobicContact CZ2-CB 3.38Å; W172-L177 HydrophobicContact CZ2-CD1 3.67Å; W172-L177 HydrophobicContact CZ2-CD2 3.27Å; W172-L177 HydrophobicContact CZ2-CG 3.54Å; T173-L177 PolarHBondContact O-N 2.99Å; W174-L177 HydrophobicContact CE3-CD2 3.86Å; W174-L177 HydrophobicContact CH2-CD2 4.38Å; W174-L177 HydrophobicContact CZ3-CD2 3.61Å; W174-L177 WeakPolarHBondContact O-CB 3.42Å; W174-L177 PolarHBondContact O-N 3.21Å; T175-L177 VanDerWaalsContact C-N 3.32Å; T175-L177 PolarHBondContact O-N 2.84Å; L177-A179 VanDerWaalsContact C-N 3.31Å; L177-A179 PolarHBondContact O-N 3.24Å; L177-C180 WeakPolarHBondContact O-CB 3.36Å; L177-C180 PolarHBondContact O-N 3Å; L177-C180 VanDerWaalsContact O-N 3.09Å; L177-L181 HydrophobicContact CD1-CD1 4.04Å; L177-L181 HydrophobicContact CD1-CD2 4.45Å; L177-L181 HydrophobicContact CD1-CG 3.91Å; L177-L181 HydrophobicContact CD2-CD1 4.08Å; L177-L181 HydrophobicContact CG-CD1 3.77Å; L177-L181 HydrophobicContact CG-CG 4.06Å; L177-L181 WeakPolarHBondContact O-CB 3.25Å; L177-L181 WeakPolarHBondContact O-CG 3.24Å; L177-L181 PolarHBondContact O-N 2.93Å |
| 178 | S | 91 | Very high | 84.1 | Confident | 17 Ų | 17 | 51.3 Ų | 51.3 | 12% | 0.119 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.5 | -43.3 | 179.2 | -62.3 | 0 | 0 | 0 | 0 | 110.8 | W174 T175 C180 G182 L219 | W174-S178 WeakPolarHBondContact O-CB 3.44Å; W174-S178 PolarHBondContact O-N 3.16Å; W174-S178 PolarHBondContact O-OG 3.15Å; W174-S178 VanDerWaalsContact O-OG 3.06Å; T175-S178 PolarHBondContact O-N 3.38Å; S178-C180 PolarHBondContact O-N 3.04Å; S178-G182 WeakPolarHBondContact O-CA 3.46Å; S178-G182 PolarHBondContact O-N 3.44Å; S178-L219 WeakPolarHBondContact CB-O 3.24Å; S178-L219 WeakPolarHBondContact O-CB 3.3Å |
| 179 | A | 93.3 | Very high | 86.1 | Confident | 8 Ų | 8 | 45.3 Ų | 45.3 | 7% | 0.066 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.7 | -45.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F111 T175 K176 L177 A183 | F111-A179 HydrophobicContact CD1-CB 4.04Å; F111-A179 HydrophobicContact CE1-CB 3.67Å; F111-A179 HydrophobicContact CZ-CB 4.19Å; T175-A179 PolarHBondContact O-N 3.02Å; K176-A179 PolarHBondContact O-N 3.28Å; L177-A179 VanDerWaalsContact C-N 3.31Å; L177-A179 PolarHBondContact O-N 3.24Å; A179-A183 WeakPolarHBondContact O-CB 3.49Å; A179-A183 PolarHBondContact O-N 3.5Å |
| 180 | C | 94.8 | Very high | 88.1 | Confident | 14 Ų | 14 | 41.4 Ų | 41.4 | 10% | 0.095 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.8 | -53.4 | 179.2 | -177.8 | 0 | 0 | 0 | 0 | 112.4 | I162 L165 K176 L177 S178 G182 A183 M184 | I162-C180 VanDerWaalsContact CG1-SG 3.57Å; L165-C180 HydrophobicContact CD1-CB 3.92Å; L165-C180 HydrophobicContact CD2-CB 4.35Å; K176-C180 WeakPolarHBondContact O-CB 3.1Å; K176-C180 PolarHBondContact O-N 2.91Å; L177-C180 WeakPolarHBondContact O-CB 3.36Å; L177-C180 PolarHBondContact O-N 3Å; L177-C180 VanDerWaalsContact O-N 3.09Å; S178-C180 PolarHBondContact O-N 3.04Å; C180-G182 VanDerWaalsContact C-N 3.27Å; C180-G182 PolarHBondContact O-N 3.26Å; C180-A183 PolarHBondContact O-N 2.82Å; C180-M184 WeakPolarHBondContact O-CG 3.37Å; C180-M184 PolarHBondContact O-N 3.44Å |
| 181 | L | 96.2 | Very high | 89.9 | Confident | 82 Ų | 82 | 37.9 Ų | 37.9 | 43% | 0.429 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.5 | -40.5 | 178.2 | -69.2 | 178.9 | 0 | 0 | 0 | 111 | L177 M184 L185 L219 | L177-L181 HydrophobicContact CD1-CD1 4.04Å; L177-L181 HydrophobicContact CD1-CD2 4.45Å; L177-L181 HydrophobicContact CD1-CG 3.91Å; L177-L181 HydrophobicContact CD2-CD1 4.08Å; L177-L181 HydrophobicContact CG-CD1 3.77Å; L177-L181 HydrophobicContact CG-CG 4.06Å; L177-L181 WeakPolarHBondContact O-CB 3.25Å; L177-L181 WeakPolarHBondContact O-CG 3.24Å; L177-L181 PolarHBondContact O-N 2.93Å; L181-M184 PolarHBondContact O-N 3.44Å; L181-L185 WeakPolarHBondContact O-CB 3.44Å; L181-L185 WeakPolarHBondContact O-CG 3.36Å; L181-L185 PolarHBondContact O-N 2.9Å; L181-L219 HydrophobicContact CB-CD1 3.9Å |
| 182 | G | 97.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.4 | -48.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | S178 C180 M184 L185 F186 A216 | S178-G182 WeakPolarHBondContact O-CA 3.46Å; S178-G182 PolarHBondContact O-N 3.44Å; C180-G182 VanDerWaalsContact C-N 3.27Å; C180-G182 PolarHBondContact O-N 3.26Å; G182-M184 PolarHBondContact O-N 2.88Å; G182-L185 PolarHBondContact O-N 3.2Å; G182-F186 PolarHBondContact O-N 2.84Å; G182-A216 WeakPolarHBondContact O-CB 3.31Å |
| 183 | A | 97.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.5 | -41.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F111 M157 A161 A179 C180 F186 M187 | F111-A183 HydrophobicContact CE2-CB 4.4Å; M157-A183 HydrophobicContact CE-CB 4.18Å; A161-A183 HydrophobicContact CB-CB 3.68Å; A179-A183 WeakPolarHBondContact O-CB 3.49Å; A179-A183 PolarHBondContact O-N 3.5Å; C180-A183 PolarHBondContact O-N 2.82Å; A183-F186 PolarHBondContact O-N 2.92Å; A183-M187 WeakPolarHBondContact O-CG 3.28Å; A183-M187 PolarHBondContact O-N 3.49Å |
| 184 | M | 97.8 | Very high | 94.2 | Very high | 55 Ų | 55 | 31.5 Ų | 31.5 | 27% | 0.271 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -65.4 | -43 | 177.6 | -65.5 | -56.4 | 101.2 | 0 | 0 | 112 | I124 I162 C180 L181 G182 F186 M187 V188 | I124-M184 HydrophobicContact CD1-CE 4.2Å; I124-M184 HydrophobicContact CD1-SD 4.41Å; I162-M184 HydrophobicContact CD1-CE 3.68Å; I162-M184 HydrophobicContact CD1-SD 4.06Å; I162-M184 HydrophobicContact CG1-CE 4.18Å; C180-M184 WeakPolarHBondContact O-CG 3.37Å; C180-M184 PolarHBondContact O-N 3.44Å; L181-M184 PolarHBondContact O-N 3.44Å; G182-M184 PolarHBondContact O-N 2.88Å; M184-F186 VanDerWaalsContact C-N 3.31Å; M184-F186 PolarHBondContact O-N 3.48Å; M184-M187 HydrophobicContact CE-SD 3.62Å; M184-M187 WeakPolarHBondContact O-CB 3.28Å; M184-M187 PolarHBondContact O-N 3.48Å; M184-M187 HydrophobicContact SD-SD 4.28Å; M184-V188 WeakPolarHBondContact O-CG2 3.49Å; M184-V188 PolarHBondContact O-N 2.96Å |
| 185 | L | 98.5 | Very high | 95.1 | Very high | 52 Ų | 52 | 28.8 Ų | 28.8 | 27% | 0.272 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -64.5 | -36.2 | 176 | -74.7 | 171.6 | 0 | 0 | 0 | 112.1 | L181 G182 V188 S189 T212 A215 A216 L219 | L181-L185 WeakPolarHBondContact O-CB 3.44Å; L181-L185 WeakPolarHBondContact O-CG 3.36Å; L181-L185 PolarHBondContact O-N 2.9Å; G182-L185 PolarHBondContact O-N 3.2Å; L185-V188 PolarHBondContact O-N 3.3Å; L185-S189 PolarHBondContact O-N 3.35Å; L185-T212 HydrophobicContact CD2-CG2 4.17Å; L185-A215 HydrophobicContact CD1-CB 3.87Å; L185-A216 HydrophobicContact CB-CB 3.81Å; L185-L219 HydrophobicContact CD1-CD1 3.75Å |
| 186 | F | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.5 | -45.7 | 173.6 | -147.3 | -46.3 | 0 | 0 | 0 | 110.5 | F100 T103 H104 Y107 I154 M157 G182 A183 M184 V188 S189 D190 Y213 A216 Q217 I220 | F100-F186 HydrophobicContact CD1-CE1 4.12Å; F100-F186 AromaticContact CD1-CZ 3.75Å; F100-F186 HydrophobicContact CD1-CZ 3.75Å; F100-F186 HydrophobicContact CE1-CE1 4.39Å; F100-F186 AromaticContact CE1-CZ 3.94Å; F100-F186 HydrophobicContact CE1-CZ 3.94Å; T103-F186 HydrophobicContact CG2-CE2 4.41Å; H104-F186 AromaticContact CE1-CD1 3.59Å; H104-F186 AromaticContact CE1-CE1 3.44Å; H104-F186 VanDerWaalsContact CE1-CE1 3.44Å; H104-F186 WeakPolarHBondContact CE1-CE1 3.22Å; H104-F186 AromaticContact CE1-CZ 3.75Å; Y107-F186 HydrophobicContact CE2-CD2 4.4Å; Y107-F186 HydrophobicContact CE2-CE2 4.04Å; I154-F186 HydrophobicContact CD1-CD1 4.38Å; M157-F186 HydrophobicContact CE-CB 4.1Å; M157-F186 HydrophobicContact CE-CG 4.35Å; G182-F186 PolarHBondContact O-N 2.84Å; A183-F186 PolarHBondContact O-N 2.92Å; M184-F186 VanDerWaalsContact C-N 3.31Å; M184-F186 PolarHBondContact O-N 3.48Å; F186-V188 VanDerWaalsContact C-N 3.29Å; F186-V188 PolarHBondContact O-N 2.71Å; F186-S189 WeakPolarHBondContact O-CB 3.5Å; F186-S189 PolarHBondContact O-N 2.85Å; F186-S189 VanDerWaalsContact O-N 3.16Å; F186-D190 WeakPolarHBondContact CD1-OD2 3.49Å; F186-D190 WeakPolarHBondContact CE1-OD1 3.34Å; F186-D190 WeakPolarHBondContact CE1-OD2 3.25Å; F186-D190 PolarHBondContact O-N 2.84Å; F186-Y213 HydrophobicContact CE1-CD2 4.12Å; F186-Y213 HydrophobicContact CE1-CE2 4.15Å; F186-Y213 HydrophobicContact CE2-CD2 4.27Å; F186-Y213 AromaticContact CE2-CE2 3.95Å; F186-Y213 HydrophobicContact CE2-CE2 3.95Å; F186-Y213 AromaticContact CZ-CD2 3.96Å; F186-Y213 HydrophobicContact CZ-CD2 3.96Å; F186-Y213 AromaticContact CZ-CE2 3.6Å; F186-Y213 HydrophobicContact CZ-CE2 3.6Å; F186-A216 HydrophobicContact CB-CB 3.89Å; F186-A216 HydrophobicContact CD2-CB 4.24Å; F186-A216 HydrophobicContact CG-CB 4.32Å; F186-Q217 HydrophobicContact CE2-CG 4.48Å; F186-I220 HydrophobicContact CD2-CD1 4.16Å |
| 187 | M | 98.3 | Very high | 96.3 | Very high | 32 Ų | 32 | 31.6 Ų | 31.6 | 16% | 0.158 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58 | -40.6 | 175.7 | -70.2 | 174.3 | 72.6 | 0 | 0 | 112.6 | I154 A183 M184 L191 | I154-M187 HydrophobicContact CD1-CB 4.32Å; I154-M187 HydrophobicContact CD1-CG 3.85Å; I154-M187 HydrophobicContact CG1-CG 3.76Å; A183-M187 WeakPolarHBondContact O-CG 3.28Å; A183-M187 PolarHBondContact O-N 3.49Å; M184-M187 HydrophobicContact CE-SD 3.62Å; M184-M187 WeakPolarHBondContact O-CB 3.28Å; M184-M187 PolarHBondContact O-N 3.48Å; M184-M187 HydrophobicContact SD-SD 4.28Å; M187-L191 VanDerWaalsContact O-CB 3.25Å; M187-L191 WeakPolarHBondContact O-CB 3.44Å; M187-L191 PolarHBondContact O-N 2.91Å |
| 188 | V | 98.1 | Very high | 96.6 | Very high | 70 Ų | 70 | 31.9 Ų | 31.9 | 42% | 0.424 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -65.6 | -43.2 | 176 | 173.8 | 0 | 0 | 0 | 0 | 111.6 | M184 L185 F186 T192 T212 | M184-V188 WeakPolarHBondContact O-CG2 3.49Å; M184-V188 PolarHBondContact O-N 2.96Å; L185-V188 PolarHBondContact O-N 3.3Å; F186-V188 VanDerWaalsContact C-N 3.29Å; F186-V188 PolarHBondContact O-N 2.71Å; V188-T192 WeakPolarHBondContact O-CB 3.39Å; V188-T192 PolarHBondContact O-N 3.49Å; V188-T192 PolarHBondContact O-OG1 2.96Å; V188-T212 HydrophobicContact CG1-CG2 4.1Å |
| 189 | S | 98.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55.3 | -53.7 | 174.1 | 166.7 | 0 | 0 | 0 | 0 | 111.2 | L185 F186 L191 T192 I193 T212 | L185-S189 PolarHBondContact O-N 3.35Å; F186-S189 WeakPolarHBondContact O-CB 3.5Å; F186-S189 PolarHBondContact O-N 2.85Å; F186-S189 VanDerWaalsContact O-N 3.16Å; S189-L191 PolarHBondContact O-N 3.4Å; S189-T192 WeakPolarHBondContact O-CB 3.3Å; S189-T192 PolarHBondContact O-N 3.38Å; S189-T192 VanDerWaalsContact O-N 3.11Å; S189-I193 PolarHBondContact O-N 2.93Å; S189-T212 WeakPolarHBondContact CA-OG1 3.36Å; S189-T212 WeakPolarHBondContact CB-OG1 3.42Å |
| 190 | D | 97.5 | Very high | 96.8 | Very high | 12 Ų | 12 | 37.6 Ų | 37.6 | 6% | 0.064 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -71.7 | -33.7 | -173.6 | -70.9 | 1 | 0 | 0 | 0 | 112.2 | H104 Y150 I154 F186 T192 I193 A194 | H104-D190 IonicContact CE1-OD2 2.73Å; H104-D190 IonicContact NE2-OD2 3.1Å; H104-D190 PolarHBondContact NE2-OD2 3.39Å; H104-D190 VanDerWaalsContact NE2-OD2 3.08Å; Y150-D190 HydrophobicContact CE1-CB 4.24Å; Y150-D190 PolarHBondContact OH-OD2 3.32Å; I154-D190 HydrophobicContact CD1-CB 3.8Å; I154-D190 WeakPolarHBondContact CD1-OD2 3.35Å; F186-D190 WeakPolarHBondContact CD1-OD2 3.49Å; F186-D190 WeakPolarHBondContact CE1-OD1 3.34Å; F186-D190 WeakPolarHBondContact CE1-OD2 3.25Å; F186-D190 PolarHBondContact O-N 2.84Å; D190-T192 VanDerWaalsContact C-N 3.29Å; D190-T192 PolarHBondContact O-N 3.01Å; D190-I193 WeakPolarHBondContact O-CB 3.39Å; D190-I193 PolarHBondContact O-N 2.91Å; D190-A194 WeakPolarHBondContact O-CB 3.36Å; D190-A194 PolarHBondContact O-N 2.89Å |
| 191 | L | 97.2 | Very high | 96.8 | Very high | 69 Ų | 69 | 42.1 Ų | 42.1 | 36% | 0.361 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.7 | -41.5 | 170.5 | -178 | 60.8 | 0 | 0 | 0 | 110.8 | C131 M187 S189 I193 A194 V195 | C131-L191 HydrophobicContact CB-CD1 4.19Å; M187-L191 VanDerWaalsContact O-CB 3.25Å; M187-L191 WeakPolarHBondContact O-CB 3.44Å; M187-L191 PolarHBondContact O-N 2.91Å; S189-L191 PolarHBondContact O-N 3.4Å; L191-I193 VanDerWaalsContact C-N 3.34Å; L191-I193 PolarHBondContact O-N 3.24Å; L191-A194 PolarHBondContact O-N 3.49Å; L191-V195 HydrophobicContact CD1-CG2 4.16Å; L191-V195 HydrophobicContact CG-CG2 4.42Å; L191-V195 WeakPolarHBondContact O-CG2 3.33Å; L191-V195 PolarHBondContact O-N 3.27Å |
| 192 | T | 97.7 | Very high | 96.7 | Very high | 20 Ų | 20 | 39.6 Ų | 39.6 | 12% | 0.123 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.4 | -39.2 | 176.5 | -52.4 | 0 | 0 | 0 | 0 | 111.3 | V188 S189 D190 N196 V202 I208 I209 | V188-T192 WeakPolarHBondContact O-CB 3.39Å; V188-T192 PolarHBondContact O-N 3.49Å; V188-T192 PolarHBondContact O-OG1 2.96Å; S189-T192 WeakPolarHBondContact O-CB 3.3Å; S189-T192 PolarHBondContact O-N 3.38Å; S189-T192 VanDerWaalsContact O-N 3.11Å; D190-T192 VanDerWaalsContact C-N 3.29Å; D190-T192 PolarHBondContact O-N 3.01Å; T192-N196 WeakPolarHBondContact O-CB 3.25Å; T192-N196 PolarHBondContact O-N 3.29Å; T192-V202 HydrophobicContact CG2-CG1 4.3Å; T192-I208 HydrophobicContact CG2-CB 4.37Å; T192-I208 HydrophobicContact CG2-CG2 4.08Å; T192-I209 HydrophobicContact CG2-CD1 4.08Å; T192-I209 HydrophobicContact CG2-CG1 3.64Å |
| 193 | I | 96.4 | Very high | 96.4 | Very high | 30 Ų | 30 | 44.2 Ų | 44.2 | 15% | 0.154 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.5 | -50.1 | 171.9 | -67 | 170.3 | 0 | 0 | 0 | 110.3 | L85 F93 S189 D190 L191 N196 K197 I209 | L85-I193 HydrophobicContact CD1-CD1 4.37Å; F93-I193 HydrophobicContact CE2-CG2 4.29Å; S189-I193 PolarHBondContact O-N 2.93Å; D190-I193 WeakPolarHBondContact O-CB 3.39Å; D190-I193 PolarHBondContact O-N 2.91Å; L191-I193 VanDerWaalsContact C-N 3.34Å; L191-I193 PolarHBondContact O-N 3.24Å; I193-N196 PolarHBondContact O-N 2.85Å; I193-K197 VanDerWaalsContact O-CB 3.31Å; I193-K197 WeakPolarHBondContact O-CB 3.39Å; I193-K197 PolarHBondContact O-N 3.13Å; I193-I209 HydrophobicContact CB-CD1 4.48Å; I193-I209 HydrophobicContact CD1-CG2 3.89Å; I193-I209 HydrophobicContact CG1-CD1 3.63Å; I193-I209 HydrophobicContact CG1-CG1 3.88Å; I193-I209 HydrophobicContact CG1-CG2 3.79Å |
| 194 | A | 96.6 | Very high | 96.2 | Very high | 14 Ų | 14 | 51.7 Ų | 51.7 | 12% | 0.116 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.2 | -48.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112 | L135 D190 L191 N196 K197 F198 | L135-A194 HydrophobicContact CD1-CB 3.94Å; L135-A194 HydrophobicContact CD2-CB 4.18Å; D190-A194 WeakPolarHBondContact O-CB 3.36Å; D190-A194 PolarHBondContact O-N 2.89Å; L191-A194 PolarHBondContact O-N 3.49Å; A194-N196 PolarHBondContact O-N 2.97Å; A194-K197 PolarHBondContact O-N 3.19Å; A194-F198 HydrophobicContact CB-CD2 4.45Å; A194-F198 WeakPolarHBondContact O-CB 3.28Å; A194-F198 VanDerWaalsContact O-CD2 3.31Å; A194-F198 WeakPolarHBondContact O-CD2 3.15Å; A194-F198 PolarHBondContact O-N 3.47Å |
| 195 | V | 97.4 | Very high | 96 | Very high | 28 Ų | 28 | 50.1 Ų | 50.1 | 17% | 0.17 | 27% | 0.272 | C | S | . | . | I | π-helix | trans | -62.3 | -45.4 | 177.9 | 175 | 0 | 0 | 0 | 0 | 110.7 | L135 L191 K197 C199 F200 V202 | L135-V195 HydrophobicContact CD2-CG2 4.05Å; L191-V195 HydrophobicContact CD1-CG2 4.16Å; L191-V195 HydrophobicContact CG-CG2 4.42Å; L191-V195 WeakPolarHBondContact O-CG2 3.33Å; L191-V195 PolarHBondContact O-N 3.27Å; V195-K197 VanDerWaalsContact C-N 3.31Å; V195-K197 PolarHBondContact O-N 3Å; V195-C199 HydrophobicContact CG1-CB 4.2Å; V195-C199 WeakPolarHBondContact O-CB 3.47Å; V195-C199 PolarHBondContact O-N 2.87Å; V195-F200 HydrophobicContact CG1-CD2 4.26Å; V195-F200 HydrophobicContact CG1-CE1 4.05Å; V195-F200 HydrophobicContact CG1-CE2 3.75Å; V195-F200 HydrophobicContact CG1-CZ 3.63Å; V195-F200 PolarHBondContact O-N 3.37Å; V195-F200 VanDerWaalsContact O-N 3.09Å; V195-F200 VanDerWaalsContact O-O 3.11Å; V195-V202 HydrophobicContact CB-CG2 4.29Å; V195-V202 HydrophobicContact CG1-CG2 3.68Å |
| 196 | N | 96.3 | Very high | 95.8 | Very high | 55 Ų | 55 | 49.8 Ų | 49.8 | 29% | 0.294 | 27% | 0.267 | S | S | . | . | I | π-helix | trans | -65.3 | -32.1 | 179.7 | -174 | 86.7 | 0 | 0 | 0 | 113.2 | T192 I193 A194 F200 V202 S205 | T192-N196 WeakPolarHBondContact O-CB 3.25Å; T192-N196 PolarHBondContact O-N 3.29Å; I193-N196 PolarHBondContact O-N 2.85Å; A194-N196 PolarHBondContact O-N 2.97Å; N196-F200 WeakPolarHBondContact CA-O 3.42Å; N196-V202 HydrophobicContact CB-CB 4.27Å; N196-V202 HydrophobicContact CB-CG2 4.17Å; N196-V202 PolarHBondContact OD1-N 2.99Å; N196-S205 VanDerWaalsContact OD1-CB 3.29Å; N196-S205 WeakPolarHBondContact OD1-CB 3.47Å; N196-S205 PolarHBondContact OD1-OG 3.18Å |
| 197 | K | 93.9 | Very high | 95.6 | Very high | 70 Ų | 70 | 51.2 Ų | 51.2 | 30% | 0.304 | 28% | 0.279 | S | S | . | . | I | π-helix | trans | -85.2 | -39.9 | -178.3 | -171.7 | 63.4 | 174.9 | 174.9 | 0 | 113 | E89 F93 I193 A194 V195 | E89-K197 VanDerWaalsContact CD-NZ 3.28Å; E89-K197 IonicContact OE1-NZ 2.96Å; E89-K197 PolarHBondContact OE1-NZ 3.46Å; E89-K197 IonicContact OE2-NZ 3.8Å; E89-K197 PolarHBondContact OE2-NZ 3.31Å; E89-K197 VanDerWaalsContact OE2-NZ 3.1Å; F93-K197 HydrophobicContact CE2-CG 4.16Å; F93-K197 HydrophobicContact CZ-CG 4.27Å; I193-K197 VanDerWaalsContact O-CB 3.31Å; I193-K197 WeakPolarHBondContact O-CB 3.39Å; I193-K197 PolarHBondContact O-N 3.13Å; A194-K197 PolarHBondContact O-N 3.19Å; V195-K197 VanDerWaalsContact C-N 3.31Å; V195-K197 PolarHBondContact O-N 3Å |
| 198 | F | 95.6 | Very high | 95.6 | Very high | 41 Ų | 41 | 53 Ų | 53 | 18% | 0.18 | 29% | 0.289 | C | S | . | . | I | π-helix | trans | -105.4 | -36.1 | -170.7 | -62.7 | -68 | 0 | 0 | 0 | 114 | F93 Y138 L139 F143 V147 A194 | F93-F198 HydrophobicContact CE1-CE2 4.29Å; F93-F198 AromaticContact CE1-CZ 3.82Å; F93-F198 HydrophobicContact CE1-CZ 3.82Å; F93-F198 HydrophobicContact CZ-CE2 4.14Å; F93-F198 HydrophobicContact CZ-CZ 4.09Å; Y138-F198 WeakPolarHBondContact CB-O 3.36Å; L139-F198 HydrophobicContact CD2-CB 4.07Å; L139-F198 HydrophobicContact CD2-CD1 3.79Å; L139-F198 HydrophobicContact CD2-CD2 3.95Å; L139-F198 HydrophobicContact CD2-CE1 4.2Å; L139-F198 HydrophobicContact CD2-CE2 4.35Å; L139-F198 HydrophobicContact CD2-CG 3.66Å; L139-F198 HydrophobicContact CD2-CZ 4.46Å; F143-F198 HydrophobicContact CB-CE1 4.11Å; F143-F198 HydrophobicContact CB-CZ 4.43Å; F143-F198 AromaticContact CD1-CE1 3.89Å; F143-F198 HydrophobicContact CD1-CE1 3.89Å; F143-F198 AromaticContact CD1-CZ 3.71Å; F143-F198 HydrophobicContact CD1-CZ 3.71Å; F143-F198 HydrophobicContact CD2-CE1 4.26Å; F143-F198 HydrophobicContact CE1-CE1 4.39Å; F143-F198 HydrophobicContact CE1-CZ 4.16Å; F143-F198 AromaticContact CG-CE1 3.82Å; F143-F198 HydrophobicContact CG-CE1 3.82Å; F143-F198 HydrophobicContact CG-CZ 4.1Å; V147-F198 HydrophobicContact CG2-CE2 3.82Å; V147-F198 HydrophobicContact CG2-CZ 4.04Å; A194-F198 HydrophobicContact CB-CD2 4.45Å; A194-F198 WeakPolarHBondContact O-CB 3.28Å; A194-F198 VanDerWaalsContact O-CD2 3.31Å; A194-F198 WeakPolarHBondContact O-CD2 3.15Å; A194-F198 PolarHBondContact O-N 3.47Å |
| 199 | C | 95.4 | Very high | 95.5 | Very high | 26 Ų | 26 | 50.7 Ų | 50.7 | 18% | 0.176 | 27% | 0.274 | C | S | . | . | I | π-helix | trans | -96.4 | -66.6 | -171 | -58.7 | 0 | 0 | 0 | 0 | 112.4 | L135 Y138 V195 | L135-C199 WeakPolarHBondContact CD2-SG 3.31Å; Y138-C199 HydrophobicContact CD1-CB 4.24Å; Y138-C199 HydrophobicContact CD2-CB 4.09Å; Y138-C199 WeakPolarHBondContact CD2-SG 3.48Å; Y138-C199 HydrophobicContact CE1-CB 4.4Å; Y138-C199 HydrophobicContact CE2-CB 4.24Å; Y138-C199 HydrophobicContact CG-CB 4.08Å; V195-C199 HydrophobicContact CG1-CB 4.2Å; V195-C199 WeakPolarHBondContact O-CB 3.47Å; V195-C199 PolarHBondContact O-N 2.87Å |
| 200 | F | 93.9 | Very high | 95.5 | Very high | 118 Ų | 118 | 51 Ų | 51 | 52% | 0.518 | 28% | 0.275 | S | S | . | . | trans | -159.9 | 151.6 | -175.6 | 50.2 | -97.4 | 0 | 0 | 0 | 110.5 | V195 N196 V202 | V195-F200 HydrophobicContact CG1-CD2 4.26Å; V195-F200 HydrophobicContact CG1-CE1 4.05Å; V195-F200 HydrophobicContact CG1-CE2 3.75Å; V195-F200 HydrophobicContact CG1-CZ 3.63Å; V195-F200 PolarHBondContact O-N 3.37Å; V195-F200 VanDerWaalsContact O-N 3.09Å; V195-F200 VanDerWaalsContact O-O 3.11Å; N196-F200 WeakPolarHBondContact CA-O 3.42Å; F200-V202 HydrophobicContact CD2-CG2 4.33Å; F200-V202 HydrophobicContact CE2-CG2 4.16Å; F200-V202 PolarHBondContact O-N 3.49Å | ||
| 201 | P | 93.8 | Very high | 95.5 | Very high | 110 Ų | 110 | 52.7 Ų | 52.7 | 71% | 0.714 | 29% | 0.291 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 122.7 | 177.6 | 25.6 | -34.1 | 0 | 0 | 0 | 110.2 | ||
| 202 | V | 94.1 | Very high | 95.5 | Very high | 29 Ų | 29 | 50.5 Ų | 50.5 | 18% | 0.176 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -89 | 124.9 | 178.2 | 173 | 0 | 0 | 0 | 0 | 108.7 | T192 V195 N196 F200 H204 S205 I208 | T192-V202 HydrophobicContact CG2-CG1 4.3Å; V195-V202 HydrophobicContact CB-CG2 4.29Å; V195-V202 HydrophobicContact CG1-CG2 3.68Å; N196-V202 HydrophobicContact CB-CB 4.27Å; N196-V202 HydrophobicContact CB-CG2 4.17Å; N196-V202 PolarHBondContact OD1-N 2.99Å; F200-V202 HydrophobicContact CD2-CG2 4.33Å; F200-V202 HydrophobicContact CE2-CG2 4.16Å; F200-V202 PolarHBondContact O-N 3.49Å; V202-H204 PolarHBondContact O-N 3.29Å; V202-S205 VanDerWaalsContact O-CB 3.27Å; V202-S205 WeakPolarHBondContact O-CB 3.22Å; V202-S205 PolarHBondContact O-N 3.35Å; V202-S205 VanDerWaalsContact O-N 3.11Å; V202-S205 PolarHBondContact O-OG 3.49Å; V202-I208 HydrophobicContact CG1-CD1 4.45Å |
| 203 | P | 92.6 | Very high | 95.6 | Very high | 96 Ų | 96 | 49.7 Ų | 49.7 | 62% | 0.623 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 131.4 | 176.2 | -24.6 | 33.9 | 0 | 0 | 0 | 111 | S205 | P203-S205 PolarHBondContact O-N 2.85Å; P203-S205 VanDerWaalsContact O-N 3.15Å |
| 204 | H | 92.1 | Very high | 95.7 | Very high | 158 Ų | 158 | 48.5 Ų | 48.5 | 73% | 0.731 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 24.3 | -179.3 | -46 | 87.8 | 0 | 0 | 0 | 114.4 | V202 R206 A207 I208 | V202-H204 PolarHBondContact O-N 3.29Å; H204-R206 VanDerWaalsContact C-N 3.28Å; H204-R206 PolarHBondContact O-N 2.89Å; H204-R206 VanDerWaalsContact O-N 3.17Å; H204-A207 WeakPolarHBondContact O-CB 3.45Å; H204-A207 PolarHBondContact O-N 3.43Å; H204-I208 PolarHBondContact O-N 3.43Å |
| 205 | S | 93.9 | Very high | 95.7 | Very high | 21 Ų | 21 | 49.4 Ų | 49.4 | 15% | 0.147 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -48.5 | -47 | -177.3 | 57.7 | 0 | 0 | 0 | 0 | 113.1 | N196 V202 P203 A207 I208 I209 | N196-S205 VanDerWaalsContact OD1-CB 3.29Å; N196-S205 WeakPolarHBondContact OD1-CB 3.47Å; N196-S205 PolarHBondContact OD1-OG 3.18Å; V202-S205 VanDerWaalsContact O-CB 3.27Å; V202-S205 WeakPolarHBondContact O-CB 3.22Å; V202-S205 PolarHBondContact O-N 3.35Å; V202-S205 VanDerWaalsContact O-N 3.11Å; V202-S205 PolarHBondContact O-OG 3.49Å; P203-S205 PolarHBondContact O-N 2.85Å; P203-S205 VanDerWaalsContact O-N 3.15Å; S205-A207 VanDerWaalsContact C-N 3.3Å; S205-A207 PolarHBondContact O-N 3.12Å; S205-I208 PolarHBondContact O-N 3.09Å; S205-I209 WeakPolarHBondContact O-CB 3.26Å; S205-I209 WeakPolarHBondContact O-CD1 3.34Å; S205-I209 WeakPolarHBondContact O-CG1 3.41Å; S205-I209 PolarHBondContact O-N 3.27Å |
| 206 | R | 94 | Very high | 95.8 | Very high | 45 Ų | 45 | 48 Ų | 48 | 17% | 0.17 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -54.8 | -43 | 177.5 | -176.7 | -177.2 | 176.4 | -179.1 | 6.2 | 112.8 | Y25 W29 L30 H204 M210 | Y25-R206 PolarHBondContact OH-NE 3.09Å; Y25-R206 PolarHBondContact OH-NH2 3.22Å; W29-R206 HydrophobicContact CH2-CB 4.11Å; W29-R206 HydrophobicContact CH2-CG 3.84Å; W29-R206 HydrophobicContact CZ2-CB 4.23Å; W29-R206 HydrophobicContact CZ2-CG 4.17Å; W29-R206 HydrophobicContact CZ3-CG 4.42Å; L30-R206 PolarHBondContact O-NH1 3.21Å; L30-R206 PolarHBondContact O-NH2 2.89Å; H204-R206 VanDerWaalsContact C-N 3.28Å; H204-R206 PolarHBondContact O-N 2.89Å; H204-R206 VanDerWaalsContact O-N 3.17Å; R206-M210 HydrophobicContact CG-CG 4.35Å; R206-M210 WeakPolarHBondContact O-CB 3.4Å; R206-M210 WeakPolarHBondContact O-CG 3.43Å; R206-M210 PolarHBondContact O-N 2.95Å |
| 207 | A | 95.1 | Very high | 95.9 | Very high | 31 Ų | 31 | 45.4 Ų | 45.4 | 26% | 0.256 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -67.8 | -45.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | W29 H204 S205 A211 | W29-A207 HydrophobicContact CH2-CB 3.8Å; H204-A207 WeakPolarHBondContact O-CB 3.45Å; H204-A207 PolarHBondContact O-N 3.43Å; S205-A207 VanDerWaalsContact C-N 3.3Å; S205-A207 PolarHBondContact O-N 3.12Å; A207-A211 WeakPolarHBondContact O-CB 3.41Å; A207-A211 PolarHBondContact O-N 3.28Å |
| 208 | I | 97.1 | Very high | 96 | Very high | 69 Ų | 69 | 43.5 Ų | 43.5 | 35% | 0.354 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61 | -50.8 | 179.4 | -62.5 | 167.3 | 0 | 0 | 0 | 110.3 | T192 V202 H204 S205 T212 | T192-I208 HydrophobicContact CG2-CB 4.37Å; T192-I208 HydrophobicContact CG2-CG2 4.08Å; V202-I208 HydrophobicContact CG1-CD1 4.45Å; H204-I208 PolarHBondContact O-N 3.43Å; S205-I208 PolarHBondContact O-N 3.09Å; I208-T212 WeakPolarHBondContact O-CB 3.36Å; I208-T212 WeakPolarHBondContact O-CG2 3.39Å; I208-T212 PolarHBondContact O-N 3.01Å; I208-T212 PolarHBondContact O-OG1 3.35Å |
| 209 | I | 97.5 | Very high | 96 | Very high | 22 Ų | 22 | 43 Ų | 43 | 11% | 0.113 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.7 | -56.6 | 179 | -68.3 | 161.2 | 0 | 0 | 0 | 109.6 | T192 I193 S205 A211 T212 Y213 | T192-I209 HydrophobicContact CG2-CD1 4.08Å; T192-I209 HydrophobicContact CG2-CG1 3.64Å; I193-I209 HydrophobicContact CB-CD1 4.48Å; I193-I209 HydrophobicContact CD1-CG2 3.89Å; I193-I209 HydrophobicContact CG1-CD1 3.63Å; I193-I209 HydrophobicContact CG1-CG1 3.88Å; I193-I209 HydrophobicContact CG1-CG2 3.79Å; S205-I209 WeakPolarHBondContact O-CB 3.26Å; S205-I209 WeakPolarHBondContact O-CD1 3.34Å; S205-I209 WeakPolarHBondContact O-CG1 3.41Å; S205-I209 PolarHBondContact O-N 3.27Å; I209-A211 PolarHBondContact O-N 3.06Å; I209-T212 PolarHBondContact O-N 3.03Å; I209-T212 PolarHBondContact O-OG1 3.36Å; I209-T212 VanDerWaalsContact O-OG1 3.08Å; I209-Y213 WeakPolarHBondContact O-CB 3.5Å; I209-Y213 PolarHBondContact O-N 3.26Å |
| 210 | M | 97.3 | Very high | 96 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 3% | 0.03 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.1 | -33.5 | -172.4 | -61.1 | -58.6 | -51.1 | 0 | 0 | 112.7 | Y25 F26 K43 R206 Y213 Y214 | Y25-M210 HydrophobicContact CE1-CB 3.81Å; Y25-M210 HydrophobicContact CE1-CE 4.09Å; Y25-M210 HydrophobicContact CE1-CG 3.6Å; Y25-M210 HydrophobicContact CE2-CE 4.19Å; Y25-M210 WeakPolarHBondContact OH-CG 3.36Å; F26-M210 HydrophobicContact CE1-CB 4.47Å; F26-M210 HydrophobicContact CZ-CB 3.86Å; K43-M210 HydrophobicContact CG-CE 3.91Å; R206-M210 HydrophobicContact CG-CG 4.35Å; R206-M210 WeakPolarHBondContact O-CB 3.4Å; R206-M210 WeakPolarHBondContact O-CG 3.43Å; R206-M210 PolarHBondContact O-N 2.95Å; M210-Y213 HydrophobicContact CE-CD1 4.1Å; M210-Y214 HydrophobicContact CB-CD2 4.45Å; M210-Y214 HydrophobicContact CB-CE2 4.29Å; M210-Y214 HydrophobicContact CE-CD1 4.33Å; M210-Y214 HydrophobicContact CE-CD2 4.22Å; M210-Y214 HydrophobicContact CE-CE1 3.55Å; M210-Y214 HydrophobicContact CE-CE2 3.43Å; M210-Y214 VanDerWaalsContact CE-CE2 3.43Å; M210-Y214 WeakPolarHBondContact CE-OH 3.46Å; M210-Y214 WeakPolarHBondContact O-CB 3.17Å; M210-Y214 VanDerWaalsContact O-CD2 3.22Å; M210-Y214 WeakPolarHBondContact O-CD2 3.44Å; M210-Y214 VanDerWaalsContact O-CG 3.31Å; M210-Y214 PolarHBondContact O-N 3.09Å |
| 211 | A | 97.3 | Very high | 96 | Very high | 49 Ų | 49 | 36.1 Ų | 36.1 | 41% | 0.405 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -67.7 | -48.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F26 A207 I209 A215 | F26-A211 HydrophobicContact CZ-CB 4.11Å; A207-A211 WeakPolarHBondContact O-CB 3.41Å; A207-A211 PolarHBondContact O-N 3.28Å; I209-A211 PolarHBondContact O-N 3.06Å; A211-A215 VanDerWaalsContact O-CB 3.25Å; A211-A215 WeakPolarHBondContact O-CB 3.36Å; A211-A215 PolarHBondContact O-N 3.39Å; A211-A215 VanDerWaalsContact O-N 3.14Å |
| 212 | T | 98.2 | Very high | 95.9 | Very high | 23 Ų | 23 | 32.1 Ų | 32.1 | 14% | 0.141 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.1 | -41.4 | 178.1 | 53.6 | 0 | 0 | 0 | 0 | 111.5 | L185 V188 S189 I208 I209 A216 | L185-T212 HydrophobicContact CD2-CG2 4.17Å; V188-T212 HydrophobicContact CG1-CG2 4.1Å; S189-T212 WeakPolarHBondContact CA-OG1 3.36Å; S189-T212 WeakPolarHBondContact CB-OG1 3.42Å; I208-T212 WeakPolarHBondContact O-CB 3.36Å; I208-T212 WeakPolarHBondContact O-CG2 3.39Å; I208-T212 PolarHBondContact O-N 3.01Å; I208-T212 PolarHBondContact O-OG1 3.35Å; I209-T212 PolarHBondContact O-N 3.03Å; I209-T212 PolarHBondContact O-OG1 3.36Å; I209-T212 VanDerWaalsContact O-OG1 3.08Å; T212-A216 VanDerWaalsContact O-CB 3.25Å; T212-A216 WeakPolarHBondContact O-CB 3.4Å; T212-A216 PolarHBondContact O-N 3.4Å |
| 213 | Y | 98.4 | Very high | 95.7 | Very high | 3 Ų | 3 | 31.3 Ų | 31.3 | 1% | 0.012 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.3 | -50.8 | 177.7 | 173.8 | -115.9 | 0 | 0 | 0 | 113.5 | I47 S78 D82 F100 F186 I209 M210 A215 A216 Q217 | I47-Y213 HydrophobicContact CD1-CE1 3.79Å; I47-Y213 HydrophobicContact CG1-CE1 4.11Å; S78-Y213 WeakPolarHBondContact CB-OH 3.42Å; S78-Y213 PolarHBondContact OG-OH 3.41Å; D82-Y213 WeakPolarHBondContact OD2-CE1 3.35Å; D82-Y213 VanDerWaalsContact OD2-CZ 3.24Å; D82-Y213 PolarHBondContact OD2-OH 3.28Å; F100-Y213 AromaticContact CE1-CE2 3.88Å; F100-Y213 HydrophobicContact CE1-CE2 3.88Å; F100-Y213 HydrophobicContact CZ-CE2 4.48Å; F186-Y213 HydrophobicContact CE1-CD2 4.12Å; F186-Y213 HydrophobicContact CE1-CE2 4.15Å; F186-Y213 HydrophobicContact CE2-CD2 4.27Å; F186-Y213 AromaticContact CE2-CE2 3.95Å; F186-Y213 HydrophobicContact CE2-CE2 3.95Å; F186-Y213 AromaticContact CZ-CD2 3.96Å; F186-Y213 HydrophobicContact CZ-CD2 3.96Å; F186-Y213 AromaticContact CZ-CE2 3.6Å; F186-Y213 HydrophobicContact CZ-CE2 3.6Å; I209-Y213 WeakPolarHBondContact O-CB 3.5Å; I209-Y213 PolarHBondContact O-N 3.26Å; M210-Y213 HydrophobicContact CE-CD1 4.1Å; Y213-A215 VanDerWaalsContact C-N 3.34Å; Y213-A215 PolarHBondContact O-N 2.85Å; Y213-A216 VanDerWaalsContact O-CB 3.32Å; Y213-A216 WeakPolarHBondContact O-CB 3.48Å; Y213-A216 PolarHBondContact O-N 2.81Å; Y213-A216 VanDerWaalsContact O-N 3.16Å; Y213-Q217 HydrophobicContact CD2-CG 4.01Å; Y213-Q217 HydrophobicContact CE1-CG 4.42Å; Y213-Q217 HydrophobicContact CE2-CG 3.59Å; Y213-Q217 VanDerWaalsContact O-CG 3.3Å; Y213-Q217 WeakPolarHBondContact O-CG 3.32Å; Y213-Q217 PolarHBondContact O-N 3.25Å; Y213-Q217 PolarHBondContact OH-NE2 3.49Å |
| 214 | Y | 98.4 | Very high | 95.4 | Very high | 4 Ų | 4 | 26.9 Ų | 26.9 | 2% | 0.016 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.5 | -38.6 | 180 | -69.7 | -32.8 | 0 | 0 | 0 | 111.7 | F18 T22 Y25 F26 K43 P46 I47 M210 A216 Q217 M218 | F18-Y214 WeakPolarHBondContact CZ-O 3.23Å; T22-Y214 HydrophobicContact CG2-CD2 3.84Å; T22-Y214 HydrophobicContact CG2-CE2 4.47Å; Y25-Y214 AromaticContact CD1-CE2 3.9Å; Y25-Y214 HydrophobicContact CD1-CE2 3.9Å; Y25-Y214 HydrophobicContact CE1-CE2 4.44Å; Y25-Y214 HydrophobicContact CG-CE2 4.01Å; F26-Y214 HydrophobicContact CE2-CD2 4.23Å; K43-Y214 PolarHBondContact O-OH 3.1Å; P46-Y214 HydrophobicContact CB-CD1 3.99Å; P46-Y214 HydrophobicContact CB-CE1 3.8Å; P46-Y214 HydrophobicContact CB-CE2 4.45Å; P46-Y214 HydrophobicContact CB-CG 4.39Å; P46-Y214 HydrophobicContact CG-CD1 4.42Å; P46-Y214 HydrophobicContact CG-CD2 4.5Å; P46-Y214 HydrophobicContact CG-CE1 3.85Å; P46-Y214 HydrophobicContact CG-CE2 3.93Å; I47-Y214 HydrophobicContact CD1-CD1 3.89Å; I47-Y214 HydrophobicContact CD1-CE1 4.08Å; I47-Y214 HydrophobicContact CG1-CE1 4.29Å; M210-Y214 HydrophobicContact CB-CD2 4.45Å; M210-Y214 HydrophobicContact CB-CE2 4.29Å; M210-Y214 HydrophobicContact CE-CD1 4.33Å; M210-Y214 HydrophobicContact CE-CD2 4.22Å; M210-Y214 HydrophobicContact CE-CE1 3.55Å; M210-Y214 HydrophobicContact CE-CE2 3.43Å; M210-Y214 VanDerWaalsContact CE-CE2 3.43Å; M210-Y214 WeakPolarHBondContact CE-OH 3.46Å; M210-Y214 WeakPolarHBondContact O-CB 3.17Å; M210-Y214 VanDerWaalsContact O-CD2 3.22Å; M210-Y214 WeakPolarHBondContact O-CD2 3.44Å; M210-Y214 VanDerWaalsContact O-CG 3.31Å; M210-Y214 PolarHBondContact O-N 3.09Å; Y214-A216 VanDerWaalsContact C-N 3.32Å; Y214-A216 PolarHBondContact O-N 2.91Å; Y214-Q217 PolarHBondContact O-N 3.41Å; Y214-M218 WeakPolarHBondContact O-CB 3.31Å; Y214-M218 PolarHBondContact O-N 3.13Å |
| 215 | A | 98.1 | Very high | 94.8 | Very high | 33 Ų | 33 | 19.5 Ų | 19.5 | 27% | 0.273 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -61.3 | -41.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L185 A211 Y213 M218 L219 | L185-A215 HydrophobicContact CD1-CB 3.87Å; A211-A215 VanDerWaalsContact O-CB 3.25Å; A211-A215 WeakPolarHBondContact O-CB 3.36Å; A211-A215 PolarHBondContact O-N 3.39Å; A211-A215 VanDerWaalsContact O-N 3.14Å; Y213-A215 VanDerWaalsContact C-N 3.34Å; Y213-A215 PolarHBondContact O-N 2.85Å; A215-M218 PolarHBondContact O-N 3.25Å; A215-L219 WeakPolarHBondContact O-CB 3.26Å; A215-L219 VanDerWaalsContact O-CG 3.27Å; A215-L219 WeakPolarHBondContact O-CG 3.4Å; A215-L219 PolarHBondContact O-N 2.94Å |
| 216 | A | 98.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -57.7 | -51.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | G182 L185 F186 T212 Y213 Y214 M218 L219 I220 | G182-A216 WeakPolarHBondContact O-CB 3.31Å; L185-A216 HydrophobicContact CB-CB 3.81Å; F186-A216 HydrophobicContact CB-CB 3.89Å; F186-A216 HydrophobicContact CD2-CB 4.24Å; F186-A216 HydrophobicContact CG-CB 4.32Å; T212-A216 VanDerWaalsContact O-CB 3.25Å; T212-A216 WeakPolarHBondContact O-CB 3.4Å; T212-A216 PolarHBondContact O-N 3.4Å; Y213-A216 VanDerWaalsContact O-CB 3.32Å; Y213-A216 WeakPolarHBondContact O-CB 3.48Å; Y213-A216 PolarHBondContact O-N 2.81Å; Y213-A216 VanDerWaalsContact O-N 3.16Å; Y214-A216 VanDerWaalsContact C-N 3.32Å; Y214-A216 PolarHBondContact O-N 2.91Å; A216-M218 PolarHBondContact O-N 3.02Å; A216-L219 PolarHBondContact O-N 3.1Å; A216-I220 VanDerWaalsContact O-CG1 3.28Å; A216-I220 WeakPolarHBondContact O-CG1 3.25Å; A216-I220 PolarHBondContact O-N 3.26Å |
| 217 | Q | 98.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64 | -40.6 | -177.1 | -67.3 | -75.7 | 24.1 | 0 | 0 | 112.3 | I47 L50 L75 S78 Y107 F186 Y213 Y214 I220 A221 | I47-Q217 HydrophobicContact CD1-CB 3.8Å; I47-Q217 HydrophobicContact CD1-CG 3.66Å; L50-Q217 HydrophobicContact CD1-CB 3.7Å; L75-Q217 HydrophobicContact CD2-CB 4.24Å; L75-Q217 VanDerWaalsContact CD2-OE1 3.24Å; S78-Q217 PolarHBondContact OG-NE2 3.43Å; Y107-Q217 PolarHBondContact OH-OE1 2.87Å; F186-Q217 HydrophobicContact CE2-CG 4.48Å; Y213-Q217 HydrophobicContact CD2-CG 4.01Å; Y213-Q217 HydrophobicContact CE1-CG 4.42Å; Y213-Q217 HydrophobicContact CE2-CG 3.59Å; Y213-Q217 VanDerWaalsContact O-CG 3.3Å; Y213-Q217 WeakPolarHBondContact O-CG 3.32Å; Y213-Q217 PolarHBondContact O-N 3.25Å; Y213-Q217 PolarHBondContact OH-NE2 3.49Å; Y214-Q217 PolarHBondContact O-N 3.41Å; Q217-I220 PolarHBondContact O-N 3.27Å; Q217-A221 WeakPolarHBondContact O-CB 3.47Å; Q217-A221 PolarHBondContact O-N 3.28Å |
| 218 | M | 96.9 | Very high | 89.3 | Confident | 30 Ų | 30 | 20.7 Ų | 20.7 | 15% | 0.148 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.8 | -47.2 | 175 | -178.1 | -167.6 | 68.9 | 0 | 0 | 111.6 | L15 F18 F19 L50 Y214 A215 A216 I220 A221 L222 | L15-M218 HydrophobicContact CD1-CG 4.24Å; L15-M218 HydrophobicContact CD1-SD 4.3Å; L15-M218 HydrophobicContact CD2-CG 4.34Å; F18-M218 HydrophobicContact CD1-CB 4.49Å; F18-M218 HydrophobicContact CD1-CG 4.26Å; F18-M218 HydrophobicContact CD1-SD 4.09Å; F18-M218 HydrophobicContact CE1-CB 3.78Å; F18-M218 HydrophobicContact CE1-CG 3.9Å; F18-M218 HydrophobicContact CE1-SD 3.65Å; F18-M218 HydrophobicContact CE2-CB 4.47Å; F18-M218 HydrophobicContact CZ-CB 3.76Å; F18-M218 HydrophobicContact CZ-CG 4.39Å; F19-M218 HydrophobicContact CE1-SD 3.97Å; F19-M218 HydrophobicContact CE2-SD 4.36Å; F19-M218 HydrophobicContact CZ-SD 3.55Å; F19-M218 VanDerWaalsContact CZ-SD 3.55Å; L50-M218 HydrophobicContact CD2-CB 4.45Å; Y214-M218 WeakPolarHBondContact O-CB 3.31Å; Y214-M218 PolarHBondContact O-N 3.13Å; A215-M218 PolarHBondContact O-N 3.25Å; A216-M218 PolarHBondContact O-N 3.02Å; M218-I220 VanDerWaalsContact C-N 3.35Å; M218-I220 PolarHBondContact O-N 3.43Å; M218-A221 PolarHBondContact O-N 3.31Å; M218-L222 HydrophobicContact CG-CD1 4.18Å; M218-L222 WeakPolarHBondContact O-CB 3.47Å; M218-L222 WeakPolarHBondContact O-CG 3.42Å; M218-L222 PolarHBondContact O-N 3.45Å |
| 219 | L | 95.8 | Very high | 87.1 | Confident | 29 Ų | 29 | 21.5 Ų | 21.5 | 15% | 0.152 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.8 | -38 | -179.8 | -71.6 | 169.4 | 0 | 0 | 0 | 112 | S178 L181 L185 A215 A216 L222 S223 | S178-L219 WeakPolarHBondContact CB-O 3.24Å; S178-L219 WeakPolarHBondContact O-CB 3.3Å; L181-L219 HydrophobicContact CB-CD1 3.9Å; L185-L219 HydrophobicContact CD1-CD1 3.75Å; A215-L219 WeakPolarHBondContact O-CB 3.26Å; A215-L219 VanDerWaalsContact O-CG 3.27Å; A215-L219 WeakPolarHBondContact O-CG 3.4Å; A215-L219 PolarHBondContact O-N 2.94Å; A216-L219 PolarHBondContact O-N 3.1Å; L219-L222 PolarHBondContact O-N 2.73Å; L219-S223 PolarHBondContact O-N 2.96Å |
| 220 | I | 95.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66 | -43.1 | 174 | -66.4 | 170.9 | 0 | 0 | 0 | 110.4 | I71 Y107 F111 F186 A216 Q217 M218 S223 | I71-I220 HydrophobicContact CD1-CG2 4.37Å; I71-I220 HydrophobicContact CG1-CG2 4.24Å; I71-I220 HydrophobicContact CG2-CG2 4.03Å; Y107-I220 HydrophobicContact CD1-CG2 4.23Å; Y107-I220 HydrophobicContact CD2-CD1 3.7Å; Y107-I220 HydrophobicContact CD2-CG2 4.14Å; Y107-I220 HydrophobicContact CE1-CG2 4.1Å; Y107-I220 HydrophobicContact CE2-CD1 3.68Å; Y107-I220 HydrophobicContact CE2-CG2 3.99Å; Y107-I220 HydrophobicContact CG-CG2 4.25Å; F111-I220 HydrophobicContact CE1-CG2 4.36Å; F111-I220 HydrophobicContact CZ-CD1 4.49Å; F111-I220 HydrophobicContact CZ-CG1 4.24Å; F111-I220 HydrophobicContact CZ-CG2 4.21Å; F186-I220 HydrophobicContact CD2-CD1 4.16Å; A216-I220 VanDerWaalsContact O-CG1 3.28Å; A216-I220 WeakPolarHBondContact O-CG1 3.25Å; A216-I220 PolarHBondContact O-N 3.26Å; Q217-I220 PolarHBondContact O-N 3.27Å; M218-I220 VanDerWaalsContact C-N 3.35Å; M218-I220 PolarHBondContact O-N 3.43Å; I220-S223 WeakPolarHBondContact O-CB 3.28Å; I220-S223 PolarHBondContact O-N 3.26Å; I220-S223 PolarHBondContact O-OG 3.35Å |
| 221 | A | 94.3 | Very high | 82.6 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.5 | -44.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L50 F53 L75 Q217 M218 S223 A224 | L50-A221 HydrophobicContact CB-CB 4.42Å; L50-A221 HydrophobicContact CD1-CB 4.47Å; L50-A221 HydrophobicContact CD2-CB 4.25Å; F53-A221 HydrophobicContact CD1-CB 4.44Å; L75-A221 HydrophobicContact CD1-CB 4.34Å; Q217-A221 WeakPolarHBondContact O-CB 3.47Å; Q217-A221 PolarHBondContact O-N 3.28Å; M218-A221 PolarHBondContact O-N 3.31Å; A221-S223 VanDerWaalsContact C-N 3.26Å; A221-S223 PolarHBondContact O-N 2.91Å; A221-A224 VanDerWaalsContact O-CB 3.3Å; A221-A224 WeakPolarHBondContact O-CB 3.44Å; A221-A224 PolarHBondContact O-N 3.19Å; A221-A224 VanDerWaalsContact O-N 3.12Å |
| 222 | L | 90.8 | Very high | 80.4 | Confident | 26 Ų | 26 | 27.9 Ų | 27.9 | 14% | 0.136 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60 | -35.9 | 175.4 | -81 | 170.9 | 0 | 0 | 0 | 112.3 | E11 L15 F53 M218 L219 A224 V225 | E11-L222 HydrophobicContact CB-CD2 4.03Å; E11-L222 HydrophobicContact CG-CD2 4.38Å; L15-L222 HydrophobicContact CD1-CD1 4.03Å; L15-L222 HydrophobicContact CD1-CD2 3.93Å; L15-L222 HydrophobicContact CD1-CG 4.16Å; F53-L222 HydrophobicContact CE1-CD2 4.46Å; F53-L222 HydrophobicContact CZ-CD2 3.97Å; M218-L222 HydrophobicContact CG-CD1 4.18Å; M218-L222 WeakPolarHBondContact O-CB 3.47Å; M218-L222 WeakPolarHBondContact O-CG 3.42Å; M218-L222 PolarHBondContact O-N 3.45Å; L219-L222 PolarHBondContact O-N 2.73Å; L222-A224 PolarHBondContact O-N 3.02Å; L222-A224 VanDerWaalsContact O-N 3.14Å; L222-V225 PolarHBondContact O-N 3.37Å |
| 223 | S | 89.8 | Confident | 77.9 | Confident | 12 Ų | 12 | 30.2 Ų | 30.2 | 8% | 0.084 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.7 | -23.6 | 177.7 | 79.7 | 0 | 0 | 0 | 0 | 114 | T175 L219 I220 A221 | T175-S223 WeakPolarHBondContact O-CB 3.36Å; L219-S223 PolarHBondContact O-N 2.96Å; I220-S223 WeakPolarHBondContact O-CB 3.28Å; I220-S223 PolarHBondContact O-N 3.26Å; I220-S223 PolarHBondContact O-OG 3.35Å; A221-S223 VanDerWaalsContact C-N 3.26Å; A221-S223 PolarHBondContact O-N 2.91Å |
| 224 | A | 86.9 | Confident | 75.4 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 3% | 0.025 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -77.5 | -38.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L54 F61 A68 I71 A221 L222 | L54-A224 HydrophobicContact CD2-CB 4.02Å; F61-A224 WeakPolarHBondContact CZ-O 3.36Å; A68-A224 HydrophobicContact CB-CB 4.11Å; I71-A224 HydrophobicContact CD1-CB 3.66Å; A221-A224 VanDerWaalsContact O-CB 3.3Å; A221-A224 WeakPolarHBondContact O-CB 3.44Å; A221-A224 PolarHBondContact O-N 3.19Å; A221-A224 VanDerWaalsContact O-N 3.12Å; L222-A224 PolarHBondContact O-N 3.02Å; L222-A224 VanDerWaalsContact O-N 3.14Å |
| 225 | V | 78.5 | Confident | 73 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.024 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -74.4 | -46.4 | -167.4 | 169.4 | 0 | 0 | 0 | 0 | 111.7 | F53 L54 H57 L222 C227 Q228 | F53-V225 HydrophobicContact CE1-CG2 3.58Å; F53-V225 HydrophobicContact CZ-CG2 3.76Å; L54-V225 HydrophobicContact CD2-CG2 3.72Å; H57-V225 WeakPolarHBondContact NE2-CG1 3.28Å; L222-V225 PolarHBondContact O-N 3.37Å; V225-C227 VanDerWaalsContact C-N 3.26Å; V225-C227 PolarHBondContact O-N 2.92Å; V225-Q228 WeakPolarHBondContact O-CB 3.45Å; V225-Q228 PolarHBondContact O-N 3.13Å; V225-Q228 VanDerWaalsContact O-N 3.13Å |
| 226 | E | 63.2 | Low | 70.5 | Confident | 19 Ų | 19 | 56.9 Ų | 56.9 | 9% | 0.089 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -4.2 | -170.3 | 171.7 | -178.4 | -88.8 | 0 | 0 | 113.1 | V7 W174 T175 Q228 D229 | V7-E226 WeakPolarHBondContact CB-OE1 3.47Å; V7-E226 WeakPolarHBondContact CG1-OE1 3.45Å; V7-E226 WeakPolarHBondContact CG2-OE1 3.44Å; W174-E226 WeakPolarHBondContact CB-OE2 3.25Å; T175-E226 HydrophobicContact CG2-CB 3.31Å; T175-E226 HydrophobicContact CG2-CG 3.57Å; T175-E226 WeakPolarHBondContact CG2-OE2 3.38Å; T175-E226 PolarHBondContact N-OE2 3.08Å; E226-Q228 PolarHBondContact O-N 3.31Å; E226-D229 PolarHBondContact O-N 3.06Å |
| 227 | C | 53.6 | Low | 67.9 | Low | 50 Ų | 50 | 64.6 Ų | 64.6 | 34% | 0.338 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.9 | -26.9 | 164.8 | -160.5 | 0 | 0 | 0 | 0 | 111.2 | V225 E231 | V225-C227 VanDerWaalsContact C-N 3.26Å; V225-C227 PolarHBondContact O-N 2.92Å; C227-E231 PolarHBondContact O-N 3.43Å; C227-E231 VanDerWaalsContact O-N 3.14Å |
| 228 | Q | 51.2 | Low | 66.3 | Low | 52 Ų | 52 | 67.8 Ų | 67.8 | 24% | 0.243 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.9 | -48.4 | 176.4 | -166.7 | 175.5 | 6 | 0 | 0 | 112.5 | F61 V225 E226 A230 E231 V232 | F61-Q228 HydrophobicContact CD2-CB 4.19Å; F61-Q228 HydrophobicContact CD2-CG 3.98Å; F61-Q228 HydrophobicContact CE2-CB 3.86Å; F61-Q228 HydrophobicContact CE2-CG 4.18Å; V225-Q228 WeakPolarHBondContact O-CB 3.45Å; V225-Q228 PolarHBondContact O-N 3.13Å; V225-Q228 VanDerWaalsContact O-N 3.13Å; E226-Q228 PolarHBondContact O-N 3.31Å; Q228-A230 VanDerWaalsContact C-N 3.3Å; Q228-A230 PolarHBondContact O-N 2.8Å; Q228-E231 PolarHBondContact O-N 3.26Å; Q228-V232 HydrophobicContact CG-CG2 4.33Å; Q228-V232 WeakPolarHBondContact O-CB 3.45Å; Q228-V232 VanDerWaalsContact O-CG2 3.22Å; Q228-V232 WeakPolarHBondContact O-CG2 3.41Å; Q228-V232 PolarHBondContact O-N 3.45Å |
| 229 | D | 51.7 | Low | 64.7 | Low | 86 Ų | 86 | 69.8 Ų | 69.8 | 46% | 0.46 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.6 | -35.6 | -175.9 | -68.6 | -27.9 | 0 | 0 | 0 | 111.7 | E226 S233 | E226-D229 PolarHBondContact O-N 3.06Å; D229-S233 VanDerWaalsContact O-CB 3.22Å; D229-S233 WeakPolarHBondContact O-CB 3.45Å; D229-S233 PolarHBondContact O-N 3.47Å |
| 230 | A | 49.7 | Very low | 63 | Low | 59 Ų | 59 | 72.1 Ų | 72.1 | 49% | 0.488 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69.3 | -43.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q228 R234 | Q228-A230 VanDerWaalsContact C-N 3.3Å; Q228-A230 PolarHBondContact O-N 2.8Å; A230-R234 WeakPolarHBondContact O-CB 3.43Å; A230-R234 PolarHBondContact O-N 3.28Å; A230-R234 VanDerWaalsContact O-N 3.08Å |
| 231 | E | 49.7 | Very low | 61.1 | Low | 93 Ų | 93 | 76.3 Ų | 76.3 | 44% | 0.435 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -71 | -38.1 | 177.6 | -77 | -169.5 | 158.6 | 0 | 0 | 112.7 | H65 C227 Q228 R234 K235 | H65-E231 IonicContact CE1-OE2 3.56Å; H65-E231 PolarHBondContact CE1-OE2 2.96Å; H65-E231 IonicContact ND1-OE2 3.54Å; H65-E231 PolarHBondContact ND1-OE2 3.28Å; H65-E231 VanDerWaalsContact ND1-OE2 3.11Å; C227-E231 PolarHBondContact O-N 3.43Å; C227-E231 VanDerWaalsContact O-N 3.14Å; Q228-E231 PolarHBondContact O-N 3.26Å; E231-R234 PolarHBondContact O-N 3.38Å; E231-K235 PolarHBondContact O-N 3.39Å |
| 232 | V | 51.7 | Low | 59 | Low | 59 Ų | 59 | 81.1 Ų | 81.1 | 36% | 0.358 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.4 | -41.3 | 175.3 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | Q228 R234 K235 R236 | Q228-V232 HydrophobicContact CG-CG2 4.33Å; Q228-V232 WeakPolarHBondContact O-CB 3.45Å; Q228-V232 VanDerWaalsContact O-CG2 3.22Å; Q228-V232 WeakPolarHBondContact O-CG2 3.41Å; Q228-V232 PolarHBondContact O-N 3.45Å; V232-R234 VanDerWaalsContact C-N 3.29Å; V232-R234 PolarHBondContact O-N 3.01Å; V232-K235 PolarHBondContact O-N 3.5Å; V232-R236 PolarHBondContact O-N 3.15Å |
| 233 | S | 44.4 | Very low | 56.9 | Low | 73 Ų | 73 | 84.7 Ų | 84.7 | 51% | 0.51 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.9 | -38.2 | 174.2 | -172.2 | 0 | 0 | 0 | 0 | 111.8 | D229 R236 T237 | D229-S233 VanDerWaalsContact O-CB 3.22Å; D229-S233 WeakPolarHBondContact O-CB 3.45Å; D229-S233 PolarHBondContact O-N 3.47Å; S233-R236 PolarHBondContact O-N 3.49Å; S233-T237 PolarHBondContact O-N 3.05Å; S233-T237 PolarHBondContact O-OG1 3.31Å |
| 234 | R | 47.1 | Very low | 54.5 | Low | 201 Ų | 201 | 89.9 Ų | 89.9 | 76% | 0.758 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -73.4 | -27.5 | 179.4 | -166.6 | 179.5 | -178.6 | -167.1 | 0.7 | 113.6 | A230 E231 V232 R236 T237 | A230-R234 WeakPolarHBondContact O-CB 3.43Å; A230-R234 PolarHBondContact O-N 3.28Å; A230-R234 VanDerWaalsContact O-N 3.08Å; E231-R234 PolarHBondContact O-N 3.38Å; V232-R234 VanDerWaalsContact C-N 3.29Å; V232-R234 PolarHBondContact O-N 3.01Å; R234-R236 VanDerWaalsContact C-N 3.29Å; R234-T237 PolarHBondContact O-OG1 3.25Å |
| 235 | K | 47.9 | Very low | 52.1 | Low | 182 Ų | 182 | 96.6 Ų | 96.6 | 79% | 0.791 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -77.2 | -14 | 173.2 | -75.9 | -176.6 | -179 | 178.8 | 0 | 113.4 | E231 V232 | E231-K235 PolarHBondContact O-N 3.39Å; V232-K235 PolarHBondContact O-N 3.5Å |
| 236 | R | 44.8 | Very low | 49.9 | Very low | 217 Ų | 217 | 104.3 Ų | 104.3 | 82% | 0.819 | 52% | 0.523 | S | S | * | . | trans | -97.5 | -10.3 | 179.6 | -74.4 | -175.9 | -178.8 | -173 | 1.6 | 114.1 | V232 S233 R234 | V232-R236 PolarHBondContact O-N 3.15Å; S233-R236 PolarHBondContact O-N 3.49Å; R234-R236 VanDerWaalsContact C-N 3.29Å | ||
| 237 | T | 43.3 | Very low | 48.6 | Very low | 161 Ų | 161 | 112.1 Ų | 112.1 | 99% | 0.988 | 56% | 0.562 | S | S | * | * | trans | -103.4 | 0 | 173.9 | 50.5 | 0 | 0 | 0 | 0 | 110.4 | S233 R234 | S233-T237 PolarHBondContact O-N 3.05Å; S233-T237 PolarHBondContact O-OG1 3.31Å; R234-T237 PolarHBondContact O-OG1 3.25Å |
Retrieved 237 of 237 residues in 297.8 ms
(Link to these results)