| 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 | 55.5 | Low | 87 | Confident | 117 Ų | 117 | 72.3 Ų | 72.3 | 58% | 0.576 | 33% | 0.334 | S | S | * | . | 0 | 139.5 | 0 | -71.2 | 156.4 | 68.9 | 0 | 0 | 109.2 | L3 D205 | M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.14Å; M1-D205 WeakPolarHBondContact CB-OD1 3.44Å; M1-D205 VanDerWaalsContact CG-OD1 3.3Å; M1-D205 WeakPolarHBondContact CG-OD1 3.41Å; M1-D205 PolarHBondContact N-OD1 3.36Å | |||
| 2 | W | 70.9 | Confident | 87.9 | Confident | 167 Ų | 167 | 67.3 Ų | 67.3 | 63% | 0.633 | 32% | 0.315 | S | S | * | . | trans | -74.7 | -12.3 | -173.8 | -76.9 | 84.3 | 0 | 0 | 0 | 115.3 | W4 A5 L6 R202 | W2-W4 VanDerWaalsContact C-N 3.34Å; W2-W4 PolarHBondContact O-N 2.65Å; W2-A5 WeakPolarHBondContact O-CB 3.45Å; W2-A5 PolarHBondContact O-N 3.27Å; W2-L6 PolarHBondContact O-N 2.99Å; W2-R202 HydrophobicContact CD2-CG 3.75Å; W2-R202 HydrophobicContact CE3-CG 3.84Å; W2-R202 HydrophobicContact CG-CG 4.27Å; W2-R202 VanDerWaalsContact CH2-CD 3.46Å; W2-R202 HydrophobicContact CH2-CG 4.45Å; W2-R202 HydrophobicContact CZ2-CG 4.35Å; W2-R202 VanDerWaalsContact CZ2-NH1 3.28Å; W2-R202 HydrophobicContact CZ3-CG 4.19Å | ||
| 3 | L | 79.3 | Confident | 88.7 | Confident | 118 Ų | 118 | 68.7 Ų | 68.7 | 62% | 0.618 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -57.3 | -43.7 | -170.4 | -174 | 63 | 0 | 0 | 0 | 113.1 | M1 A5 L6 | M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.14Å; L3-A5 VanDerWaalsContact C-N 3.3Å; L3-A5 PolarHBondContact O-N 3.49Å; L3-L6 WeakPolarHBondContact O-CB 3.34Å; L3-L6 PolarHBondContact O-N 3.42Å |
| 4 | W | 85.4 | Confident | 89.4 | Confident | 77 Ų | 77 | 68.4 Ų | 68.4 | 29% | 0.292 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -71.6 | -23.6 | 179.7 | -61.9 | 112.8 | 0 | 0 | 0 | 113.4 | W2 L6 P8 I71 F201 F206 | W2-W4 VanDerWaalsContact C-N 3.34Å; W2-W4 PolarHBondContact O-N 2.65Å; W4-L6 VanDerWaalsContact C-N 3.29Å; W4-P8 VanDerWaalsContact O-CD 3.23Å; W4-P8 WeakPolarHBondContact O-CD 3.33Å; W4-I71 HydrophobicContact CD2-CD1 4.35Å; W4-I71 HydrophobicContact CE3-CD1 3.43Å; W4-I71 VanDerWaalsContact CE3-CD1 3.43Å; W4-I71 HydrophobicContact CE3-CG1 4.46Å; W4-I71 HydrophobicContact CZ3-CD1 3.69Å; W4-F201 HydrophobicContact CB-CB 4.28Å; W4-F201 WeakPolarHBondContact O-CD2 3.3Å; W4-F206 HydrophobicContact CZ2-CD2 4.22Å; W4-F206 AromaticContact NE1-CD2 3.97Å |
| 5 | A | 88.1 | Confident | 90 | Very high | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.008 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.7 | -27.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | W2 L3 L7 P8 I9 G198 R202 | W2-A5 WeakPolarHBondContact O-CB 3.45Å; W2-A5 PolarHBondContact O-N 3.27Å; L3-A5 VanDerWaalsContact C-N 3.3Å; L3-A5 PolarHBondContact O-N 3.49Å; A5-L7 VanDerWaalsContact C-N 3.33Å; A5-P8 WeakPolarHBondContact O-CD 3.14Å; A5-P8 WeakPolarHBondContact O-CG 3.31Å; A5-I9 VanDerWaalsContact O-CD1 3.31Å; A5-I9 WeakPolarHBondContact O-CD1 3.46Å; A5-I9 WeakPolarHBondContact O-CG1 3.23Å; A5-G198 WeakPolarHBondContact CB-O 3.37Å; A5-G198 WeakPolarHBondContact O-CA 3.5Å; A5-R202 HydrophobicContact CB-CB 4.15Å |
| 6 | L | 92.6 | Very high | 90.6 | Very high | 97 Ų | 97 | 62.4 Ų | 62.4 | 51% | 0.508 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -71.1 | -29.2 | 179.6 | -62.5 | 177.6 | 0 | 0 | 0 | 112.4 | W2 L3 W4 I9 F10 | W2-L6 PolarHBondContact O-N 2.99Å; L3-L6 WeakPolarHBondContact O-CB 3.34Å; L3-L6 PolarHBondContact O-N 3.42Å; W4-L6 VanDerWaalsContact C-N 3.29Å; L6-I9 PolarHBondContact O-N 3.43Å; L6-F10 VanDerWaalsContact O-CB 3.23Å; L6-F10 WeakPolarHBondContact O-CB 3.44Å; L6-F10 PolarHBondContact O-N 3.27Å |
| 7 | L | 94.9 | Very high | 91.1 | Very high | 33 Ų | 33 | 63.6 Ų | 63.6 | 17% | 0.173 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.7 | -57.4 | -177.8 | -179 | 77.2 | 0 | 0 | 0 | 113.5 | A5 I9 F10 L11 L64 W67 V68 I71 | A5-L7 VanDerWaalsContact C-N 3.33Å; L7-I9 VanDerWaalsContact C-N 3.3Å; L7-I9 PolarHBondContact O-N 2.9Å; L7-F10 PolarHBondContact O-N 3.39Å; L7-L11 PolarHBondContact O-N 3.03Å; L7-L64 HydrophobicContact CD1-CD2 3.55Å; L7-W67 HydrophobicContact CD2-CB 3.79Å; L7-V68 HydrophobicContact CD2-CG2 3.83Å; L7-V68 HydrophobicContact CG-CG2 4.05Å; L7-I71 HydrophobicContact CD2-CD1 3.65Å |
| 8 | P | 96.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.4 | -30 | 177.6 | 24.6 | -34.6 | 0 | 0 | 0 | 113.4 | W4 A5 A12 V68 F194 F197 F201 | W4-P8 VanDerWaalsContact O-CD 3.23Å; W4-P8 WeakPolarHBondContact O-CD 3.33Å; A5-P8 WeakPolarHBondContact O-CD 3.14Å; A5-P8 WeakPolarHBondContact O-CG 3.31Å; P8-A12 WeakPolarHBondContact O-CB 3.49Å; P8-A12 PolarHBondContact O-N 3.27Å; P8-V68 HydrophobicContact CB-CG2 3.99Å; P8-F194 VanDerWaalsContact CB-O 3.24Å; P8-F194 WeakPolarHBondContact CB-O 3.12Å; P8-F197 HydrophobicContact CB-CB 3.86Å; P8-F197 HydrophobicContact CG-CB 3.99Å; P8-F201 HydrophobicContact CG-CD2 3.93Å; P8-F201 HydrophobicContact CG-CE2 4.34Å |
| 9 | I | 97 | Very high | 91.8 | Very high | 74 Ų | 74 | 57.9 Ų | 57.9 | 38% | 0.379 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.9 | -45.3 | 175.5 | -63.8 | 171.3 | 0 | 0 | 0 | 109.8 | A5 L6 L7 A12 V13 | A5-I9 VanDerWaalsContact O-CD1 3.31Å; A5-I9 WeakPolarHBondContact O-CD1 3.46Å; A5-I9 WeakPolarHBondContact O-CG1 3.23Å; L6-I9 PolarHBondContact O-N 3.43Å; L7-I9 VanDerWaalsContact C-N 3.3Å; L7-I9 PolarHBondContact O-N 2.9Å; I9-A12 PolarHBondContact O-N 3.06Å; I9-V13 HydrophobicContact CG2-CG2 4.34Å; I9-V13 WeakPolarHBondContact O-CG2 3.29Å; I9-V13 PolarHBondContact O-N 3.05Å |
| 10 | F | 97.9 | Very high | 92.2 | Very high | 109 Ų | 109 | 60.7 Ų | 60.7 | 48% | 0.478 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 176.7 | -179.6 | -106.5 | 0 | 0 | 0 | 111 | L6 L7 A12 V13 F14 L64 | L6-F10 VanDerWaalsContact O-CB 3.23Å; L6-F10 WeakPolarHBondContact O-CB 3.44Å; L6-F10 PolarHBondContact O-N 3.27Å; L7-F10 PolarHBondContact O-N 3.39Å; F10-A12 VanDerWaalsContact C-N 3.33Å; F10-A12 PolarHBondContact O-N 3.2Å; F10-V13 PolarHBondContact O-N 3.43Å; F10-F14 HydrophobicContact CE1-CB 4.29Å; F10-F14 HydrophobicContact CE1-CG 4.39Å; F10-F14 HydrophobicContact CE2-CB 4.24Å; F10-F14 HydrophobicContact CE2-CD2 4.44Å; F10-F14 HydrophobicContact CZ-CB 4.11Å; F10-F14 AromaticContact CZ-CD2 3.95Å; F10-F14 HydrophobicContact CZ-CD2 3.95Å; F10-F14 HydrophobicContact CZ-CG 4.15Å; F10-F14 WeakPolarHBondContact O-CB 3.42Å; F10-F14 PolarHBondContact O-N 3.3Å; F10-L64 HydrophobicContact CD1-CD1 3.64Å; F10-L64 HydrophobicContact CD1-CD2 4.25Å; F10-L64 HydrophobicContact CE1-CD1 3.79Å |
| 11 | L | 98.4 | Very high | 92.5 | Very high | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -52 | -50.8 | 172.4 | 168.2 | 60.1 | 0 | 0 | 0 | 111.8 | L7 G15 C61 L64 A65 V68 F194 | L7-L11 PolarHBondContact O-N 3.03Å; L11-G15 PolarHBondContact O-N 3.4Å; L11-C61 HydrophobicContact CD1-CB 3.73Å; L11-C61 WeakPolarHBondContact CD1-O 3.23Å; L11-L64 HydrophobicContact CB-CB 4.07Å; L11-L64 HydrophobicContact CB-CD1 4.23Å; L11-L64 HydrophobicContact CD1-CB 4Å; L11-L64 HydrophobicContact CD1-CD1 4.39Å; L11-L64 HydrophobicContact CD2-CB 4.48Å; L11-L64 HydrophobicContact CG-CB 4.4Å; L11-A65 HydrophobicContact CD2-CB 3.96Å; L11-V68 HydrophobicContact CD2-CG2 4.37Å; L11-F194 HydrophobicContact CD2-CB 3.93Å; L11-F194 HydrophobicContact CD2-CD1 3.66Å; L11-F194 HydrophobicContact CD2-CD2 4.09Å; L11-F194 HydrophobicContact CD2-CE1 4.17Å; L11-F194 HydrophobicContact CD2-CG 3.63Å; L11-F194 HydrophobicContact CG-CB 4.46Å; L11-F194 HydrophobicContact CG-CG 4.49Å |
| 12 | A | 98.4 | Very high | 94.5 | Very high | 13 Ų | 13 | 55.7 Ų | 55.7 | 11% | 0.107 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.5 | -50.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | P8 I9 F10 T16 F191 | P8-A12 WeakPolarHBondContact O-CB 3.49Å; P8-A12 PolarHBondContact O-N 3.27Å; I9-A12 PolarHBondContact O-N 3.06Å; F10-A12 VanDerWaalsContact C-N 3.33Å; F10-A12 PolarHBondContact O-N 3.2Å; A12-T16 VanDerWaalsContact O-CB 3.31Å; A12-T16 WeakPolarHBondContact O-CB 3.33Å; A12-T16 PolarHBondContact O-N 2.96Å; A12-T16 PolarHBondContact O-OG1 3.48Å; A12-T16 VanDerWaalsContact O-OG1 3.04Å; A12-F191 HydrophobicContact CB-CB 4.14Å; A12-F191 WeakPolarHBondContact CB-O 3.46Å |
| 13 | V | 98.4 | Very high | 95.8 | Very high | 85 Ų | 85 | 49.4 Ų | 49.4 | 52% | 0.515 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67.7 | -48 | -177.5 | 174.5 | 0 | 0 | 0 | 0 | 111.4 | I9 F10 G15 T16 V17 | I9-V13 HydrophobicContact CG2-CG2 4.34Å; I9-V13 WeakPolarHBondContact O-CG2 3.29Å; I9-V13 PolarHBondContact O-N 3.05Å; F10-V13 PolarHBondContact O-N 3.43Å; V13-G15 PolarHBondContact O-N 3.32Å; V13-T16 PolarHBondContact O-N 3.15Å; V13-V17 HydrophobicContact CG1-CG2 4.24Å; V13-V17 WeakPolarHBondContact O-CB 3.42Å; V13-V17 VanDerWaalsContact O-CG2 3.29Å; V13-V17 WeakPolarHBondContact O-CG2 3.5Å; V13-V17 PolarHBondContact O-N 2.76Å |
| 14 | F | 98.6 | Very high | 96.7 | Very high | 65 Ų | 65 | 45.6 Ų | 45.6 | 29% | 0.285 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61 | -45.8 | 179.8 | 177.6 | -94.6 | 0 | 0 | 0 | 111.3 | F10 G18 I57 V60 | F10-F14 HydrophobicContact CE1-CB 4.29Å; F10-F14 HydrophobicContact CE1-CG 4.39Å; F10-F14 HydrophobicContact CE2-CB 4.24Å; F10-F14 HydrophobicContact CE2-CD2 4.44Å; F10-F14 HydrophobicContact CZ-CB 4.11Å; F10-F14 AromaticContact CZ-CD2 3.95Å; F10-F14 HydrophobicContact CZ-CD2 3.95Å; F10-F14 HydrophobicContact CZ-CG 4.15Å; F10-F14 WeakPolarHBondContact O-CB 3.42Å; F10-F14 PolarHBondContact O-N 3.3Å; F14-G18 WeakPolarHBondContact O-CA 3.32Å; F14-G18 PolarHBondContact O-N 2.87Å; F14-I57 HydrophobicContact CE1-CB 4.38Å; F14-I57 HydrophobicContact CE1-CG1 4.37Å; F14-I57 HydrophobicContact CE1-CG2 4.17Å; F14-I57 HydrophobicContact CZ-CG1 4.37Å; F14-V60 HydrophobicContact CD1-CG1 3.93Å; F14-V60 HydrophobicContact CE1-CB 3.72Å; F14-V60 HydrophobicContact CE1-CG1 3.51Å; F14-V60 HydrophobicContact CE1-CG2 4.45Å; F14-V60 HydrophobicContact CZ-CB 4.23Å; F14-V60 HydrophobicContact CZ-CG1 4.02Å; F14-V60 HydrophobicContact CZ-CG2 4.49Å |
| 15 | G | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.9 | -47.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L11 V13 G18 I19 F191 | L11-G15 PolarHBondContact O-N 3.4Å; V13-G15 PolarHBondContact O-N 3.32Å; G15-G18 PolarHBondContact O-N 2.73Å; G15-I19 WeakPolarHBondContact O-CG1 3.49Å; G15-I19 PolarHBondContact O-N 2.77Å; G15-F191 VanDerWaalsContact CA-CZ 3.4Å |
| 16 | T | 98.7 | Very high | 97.8 | Very high | 41 Ų | 41 | 44 Ų | 44 | 25% | 0.252 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.2 | -55.1 | 176.4 | -68.8 | 0 | 0 | 0 | 0 | 111.3 | A12 V13 G18 I19 W20 M188 F191 | A12-T16 VanDerWaalsContact O-CB 3.31Å; A12-T16 WeakPolarHBondContact O-CB 3.33Å; A12-T16 PolarHBondContact O-N 2.96Å; A12-T16 PolarHBondContact O-OG1 3.48Å; A12-T16 VanDerWaalsContact O-OG1 3.04Å; V13-T16 PolarHBondContact O-N 3.15Å; T16-G18 VanDerWaalsContact C-N 3.33Å; T16-G18 PolarHBondContact O-N 2.6Å; T16-I19 PolarHBondContact O-N 3.34Å; T16-W20 PolarHBondContact O-N 2.96Å; T16-M188 HydrophobicContact CG2-SD 3.77Å; T16-F191 VanDerWaalsContact OG1-CD2 3.24Å; T16-F191 WeakPolarHBondContact OG1-CD2 3.45Å |
| 17 | V | 98.6 | Very high | 98.1 | Very high | 82 Ų | 82 | 41.5 Ų | 41.5 | 50% | 0.497 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.8 | -44.9 | -178.6 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | V13 I19 W20 V21 | V13-V17 HydrophobicContact CG1-CG2 4.24Å; V13-V17 WeakPolarHBondContact O-CB 3.42Å; V13-V17 VanDerWaalsContact O-CG2 3.29Å; V13-V17 WeakPolarHBondContact O-CG2 3.5Å; V13-V17 PolarHBondContact O-N 2.76Å; V17-I19 PolarHBondContact O-N 3.34Å; V17-W20 PolarHBondContact O-N 3.06Å; V17-V21 HydrophobicContact CG1-CG2 4.2Å; V17-V21 VanDerWaalsContact O-CG2 3.3Å; V17-V21 WeakPolarHBondContact O-CG2 3.46Å; V17-V21 PolarHBondContact O-N 2.85Å |
| 18 | G | 98.4 | Very high | 98.2 | Very high | 9 Ų | 9 | 44.5 Ų | 44.5 | 9% | 0.093 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -57.7 | -47.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F14 G15 T16 W20 V21 V22 I57 | F14-G18 WeakPolarHBondContact O-CA 3.32Å; F14-G18 PolarHBondContact O-N 2.87Å; G15-G18 PolarHBondContact O-N 2.73Å; T16-G18 VanDerWaalsContact C-N 3.33Å; T16-G18 PolarHBondContact O-N 2.6Å; G18-W20 PolarHBondContact O-N 3.21Å; G18-V21 WeakPolarHBondContact O-CB 3.37Å; G18-V21 PolarHBondContact O-N 3.24Å; G18-V22 WeakPolarHBondContact O-CG2 3.27Å; G18-V22 PolarHBondContact O-N 3.31Å; G18-I57 VanDerWaalsContact C-CD1 3.41Å; G18-I57 VanDerWaalsContact CA-CD1 3.44Å; G18-I57 VanDerWaalsContact O-CD1 3.32Å; G18-I57 WeakPolarHBondContact O-CD1 3.48Å |
| 19 | I | 98.3 | Very high | 98.2 | Very high | 11 Ų | 11 | 48.2 Ų | 48.2 | 6% | 0.056 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.9 | -41 | -179.8 | -68.7 | -178.6 | 0 | 0 | 0 | 111.4 | G15 T16 V17 V21 V22 F23 I41 W184 V187 M188 F191 | G15-I19 WeakPolarHBondContact O-CG1 3.49Å; G15-I19 PolarHBondContact O-N 2.77Å; T16-I19 PolarHBondContact O-N 3.34Å; V17-I19 PolarHBondContact O-N 3.34Å; I19-V21 VanDerWaalsContact C-N 3.34Å; I19-V21 PolarHBondContact O-N 3.15Å; I19-V22 PolarHBondContact O-N 3.49Å; I19-F23 PolarHBondContact O-N 3.31Å; I19-I41 HydrophobicContact CG2-CD1 4.04Å; I19-I41 HydrophobicContact CG2-CG1 4.06Å; I19-I41 HydrophobicContact CG2-CG2 3.91Å; I19-W184 HydrophobicContact CG2-CE3 4.38Å; I19-W184 HydrophobicContact CG2-CH2 3.7Å; I19-W184 HydrophobicContact CG2-CZ2 4.49Å; I19-W184 HydrophobicContact CG2-CZ3 3.65Å; I19-V187 HydrophobicContact CD1-CG1 3.58Å; I19-M188 HydrophobicContact CG2-CE 4.32Å; I19-F191 HydrophobicContact CD1-CE2 3.78Å; I19-F191 HydrophobicContact CD1-CZ 3.92Å |
| 20 | W | 98.6 | Very high | 98.2 | Very high | 113 Ų | 113 | 53 Ų | 53 | 43% | 0.428 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.6 | -34.7 | 175.7 | -77.3 | 110.5 | 0 | 0 | 0 | 112.8 | T16 V17 G18 F23 G24 W184 | T16-W20 PolarHBondContact O-N 2.96Å; V17-W20 PolarHBondContact O-N 3.06Å; G18-W20 PolarHBondContact O-N 3.21Å; W20-F23 AromaticContact CE3-CD1 3.94Å; W20-F23 HydrophobicContact CE3-CD1 3.94Å; W20-F23 HydrophobicContact CE3-CG 4.49Å; W20-F23 HydrophobicContact CZ3-CD1 4.07Å; W20-F23 HydrophobicContact CZ3-CE1 4.25Å; W20-F23 PolarHBondContact O-N 3.42Å; W20-G24 PolarHBondContact O-N 3.41Å; W20-W184 HydrophobicContact CD2-CE3 4.43Å; W20-W184 HydrophobicContact CD2-CH2 4.32Å; W20-W184 AromaticContact CD2-CZ3 3.6Å; W20-W184 HydrophobicContact CD2-CZ3 3.6Å; W20-W184 AromaticContact CE2-CZ3 3.64Å; W20-W184 HydrophobicContact CE3-CH2 4.05Å; W20-W184 AromaticContact CE3-CZ3 3.67Å; W20-W184 HydrophobicContact CE3-CZ3 3.67Å; W20-W184 HydrophobicContact CG-CZ3 4.26Å; W20-W184 AromaticContact CH2-CE3 3.91Å; W20-W184 HydrophobicContact CH2-CE3 3.91Å; W20-W184 AromaticContact CH2-CZ3 3.86Å; W20-W184 HydrophobicContact CH2-CZ3 3.86Å; W20-W184 AromaticContact CZ2-CE3 3.78Å; W20-W184 HydrophobicContact CZ2-CE3 3.78Å; W20-W184 AromaticContact CZ2-CZ3 3.78Å; W20-W184 HydrophobicContact CZ2-CZ3 3.78Å; W20-W184 HydrophobicContact CZ3-CE3 4.28Å; W20-W184 HydrophobicContact CZ3-CH2 4.23Å; W20-W184 AromaticContact CZ3-CZ3 3.8Å; W20-W184 HydrophobicContact CZ3-CZ3 3.8Å |
| 21 | V | 98.5 | Very high | 98.1 | Very high | 71 Ų | 71 | 49.9 Ų | 49.9 | 43% | 0.43 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.8 | -45.8 | 172.1 | 166.5 | 0 | 0 | 0 | 0 | 110.8 | V17 G18 I19 F23 G24 I25 | V17-V21 HydrophobicContact CG1-CG2 4.2Å; V17-V21 VanDerWaalsContact O-CG2 3.3Å; V17-V21 WeakPolarHBondContact O-CG2 3.46Å; V17-V21 PolarHBondContact O-N 2.85Å; G18-V21 WeakPolarHBondContact O-CB 3.37Å; G18-V21 PolarHBondContact O-N 3.24Å; I19-V21 VanDerWaalsContact C-N 3.34Å; I19-V21 PolarHBondContact O-N 3.15Å; V21-F23 VanDerWaalsContact C-N 3.29Å; V21-F23 PolarHBondContact O-N 2.84Å; V21-G24 PolarHBondContact O-N 3.28Å; V21-G24 VanDerWaalsContact O-N 3.17Å; V21-I25 HydrophobicContact CG1-CD1 3.79Å; V21-I25 HydrophobicContact CG1-CG1 4.39Å; V21-I25 VanDerWaalsContact O-CG1 3.32Å; V21-I25 WeakPolarHBondContact O-CG1 2.93Å; V21-I25 PolarHBondContact O-N 3.16Å |
| 22 | V | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.2 | -44.2 | 175.9 | 169.3 | 0 | 0 | 0 | 0 | 110.9 | G18 I19 I25 A26 C44 Q50 I53 F54 I57 | G18-V22 WeakPolarHBondContact O-CG2 3.27Å; G18-V22 PolarHBondContact O-N 3.31Å; I19-V22 PolarHBondContact O-N 3.49Å; V22-I25 PolarHBondContact O-N 3.36Å; V22-A26 WeakPolarHBondContact O-CB 3.34Å; V22-A26 PolarHBondContact O-N 2.9Å; V22-C44 HydrophobicContact CG1-CB 4.02Å; V22-Q50 HydrophobicContact CG1-CB 4.3Å; V22-I53 HydrophobicContact CG2-CB 4.34Å; V22-I53 HydrophobicContact CG2-CG2 3.82Å; V22-F54 HydrophobicContact CG1-CB 4.31Å; V22-F54 HydrophobicContact CG1-CD2 4.47Å; V22-F54 HydrophobicContact CG2-CB 4.16Å; V22-I57 HydrophobicContact CG2-CD1 3.71Å |
| 23 | F | 98.6 | Very high | 97.7 | Very high | 36 Ų | 36 | 54.9 Ų | 54.9 | 16% | 0.158 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.9 | -46.7 | 174.1 | 168 | -96.9 | 0 | 0 | 0 | 113 | I19 W20 V21 I25 A26 V27 I34 F38 P39 W184 | I19-F23 PolarHBondContact O-N 3.31Å; W20-F23 AromaticContact CE3-CD1 3.94Å; W20-F23 HydrophobicContact CE3-CD1 3.94Å; W20-F23 HydrophobicContact CE3-CG 4.49Å; W20-F23 HydrophobicContact CZ3-CD1 4.07Å; W20-F23 HydrophobicContact CZ3-CE1 4.25Å; W20-F23 PolarHBondContact O-N 3.42Å; V21-F23 VanDerWaalsContact C-N 3.29Å; V21-F23 PolarHBondContact O-N 2.84Å; F23-I25 VanDerWaalsContact C-N 3.31Å; F23-I25 PolarHBondContact O-N 3.22Å; F23-A26 WeakPolarHBondContact O-CB 3.48Å; F23-A26 PolarHBondContact O-N 3.35Å; F23-A26 VanDerWaalsContact O-N 3.08Å; F23-V27 HydrophobicContact CD1-CG2 4.46Å; F23-V27 HydrophobicContact CD2-CG2 4.2Å; F23-V27 HydrophobicContact CE1-CG2 4.05Å; F23-V27 HydrophobicContact CE2-CG2 3.76Å; F23-V27 HydrophobicContact CZ-CG2 3.68Å; F23-V27 WeakPolarHBondContact O-CG2 3.29Å; F23-V27 PolarHBondContact O-N 2.99Å; F23-I34 HydrophobicContact CE2-CG2 4.26Å; F23-I34 HydrophobicContact CZ-CG2 4.37Å; F23-F38 HydrophobicContact CE2-CE2 4.19Å; F23-F38 HydrophobicContact CZ-CE2 4.34Å; F23-P39 HydrophobicContact CD2-CG 4.24Å; F23-P39 HydrophobicContact CE2-CG 3.99Å; F23-W184 HydrophobicContact CB-CH2 3.5Å; F23-W184 VanDerWaalsContact CB-CH2 3.5Å; F23-W184 HydrophobicContact CB-CZ2 3.86Å; F23-W184 HydrophobicContact CD2-CH2 4.27Å; F23-W184 AromaticContact CD2-CZ2 3.93Å; F23-W184 HydrophobicContact CD2-CZ2 3.93Å; F23-W184 AromaticContact CG-CH2 3.95Å; F23-W184 HydrophobicContact CG-CH2 3.95Å; F23-W184 HydrophobicContact CG-CZ2 4.08Å |
| 24 | G | 98.2 | Very high | 97.5 | Very high | 37 Ų | 37 | 55 Ų | 55 | 38% | 0.381 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.4 | -42.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | W20 V21 V27 S28 | W20-G24 PolarHBondContact O-N 3.41Å; V21-G24 PolarHBondContact O-N 3.28Å; V21-G24 VanDerWaalsContact O-N 3.17Å; G24-V27 PolarHBondContact O-N 3.34Å; G24-S28 WeakPolarHBondContact O-CB 3.36Å; G24-S28 PolarHBondContact O-N 3.44Å |
| 25 | I | 98.3 | Very high | 97.1 | Very high | 44 Ų | 44 | 58.1 Ų | 58.1 | 23% | 0.226 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.3 | -40.3 | 174.8 | -60.3 | 167.1 | 0 | 0 | 0 | 110.6 | V21 V22 F23 V27 S28 N29 Q50 I53 | V21-I25 HydrophobicContact CG1-CD1 3.79Å; V21-I25 HydrophobicContact CG1-CG1 4.39Å; V21-I25 VanDerWaalsContact O-CG1 3.32Å; V21-I25 WeakPolarHBondContact O-CG1 2.93Å; V21-I25 PolarHBondContact O-N 3.16Å; V22-I25 PolarHBondContact O-N 3.36Å; F23-I25 VanDerWaalsContact C-N 3.31Å; F23-I25 PolarHBondContact O-N 3.22Å; I25-V27 VanDerWaalsContact C-N 3.33Å; I25-V27 PolarHBondContact O-N 3.31Å; I25-S28 PolarHBondContact O-N 3.26Å; I25-N29 WeakPolarHBondContact CG2-ND2 3.4Å; I25-N29 WeakPolarHBondContact O-CB 3.36Å; I25-N29 PolarHBondContact O-N 3.49Å; I25-Q50 HydrophobicContact CB-CG 4.07Å; I25-Q50 HydrophobicContact CG2-CG 3.65Å; I25-I53 HydrophobicContact CD1-CD1 3.74Å |
| 26 | A | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.3 | -43.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V22 F23 E30 T31 V32 C44 Q50 | V22-A26 WeakPolarHBondContact O-CB 3.34Å; V22-A26 PolarHBondContact O-N 2.9Å; F23-A26 WeakPolarHBondContact O-CB 3.48Å; F23-A26 PolarHBondContact O-N 3.35Å; F23-A26 VanDerWaalsContact O-N 3.08Å; A26-E30 PolarHBondContact O-N 2.99Å; A26-T31 WeakPolarHBondContact CA-OG1 3.49Å; A26-T31 PolarHBondContact O-N 3.27Å; A26-T31 PolarHBondContact O-OG1 3.15Å; A26-V32 HydrophobicContact CB-CG1 4.26Å; A26-V32 HydrophobicContact CB-CG2 3.83Å; A26-C44 HydrophobicContact CB-CB 3.85Å; A26-Q50 HydrophobicContact CB-CG 4.41Å |
| 27 | V | 98.1 | Very high | 96.5 | Very high | 46 Ų | 46 | 62.7 Ų | 62.7 | 28% | 0.279 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.7 | -47.7 | 175.2 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | F23 G24 I25 N29 E30 V32 I34 | F23-V27 HydrophobicContact CD1-CG2 4.46Å; F23-V27 HydrophobicContact CD2-CG2 4.2Å; F23-V27 HydrophobicContact CE1-CG2 4.05Å; F23-V27 HydrophobicContact CE2-CG2 3.76Å; F23-V27 HydrophobicContact CZ-CG2 3.68Å; F23-V27 WeakPolarHBondContact O-CG2 3.29Å; F23-V27 PolarHBondContact O-N 2.99Å; G24-V27 PolarHBondContact O-N 3.34Å; I25-V27 VanDerWaalsContact C-N 3.33Å; I25-V27 PolarHBondContact O-N 3.31Å; V27-N29 PolarHBondContact O-N 3.42Å; V27-E30 PolarHBondContact O-N 2.93Å; V27-V32 HydrophobicContact CG2-CG2 3.9Å; V27-I34 HydrophobicContact CG1-CD1 4.01Å; V27-I34 HydrophobicContact CG2-CG2 3.83Å |
| 28 | S | 97.5 | Very high | 96.5 | Very high | 95 Ų | 95 | 61.6 Ų | 61.6 | 66% | 0.664 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -61.7 | -31.6 | -179.5 | -174.6 | 0 | 0 | 0 | 0 | 113.1 | G24 I25 E30 | G24-S28 WeakPolarHBondContact O-CB 3.36Å; G24-S28 PolarHBondContact O-N 3.44Å; I25-S28 PolarHBondContact O-N 3.26Å; S28-E30 VanDerWaalsContact C-N 3.34Å |
| 29 | N | 97.5 | Very high | 96.4 | Very high | 78 Ų | 78 | 61.3 Ų | 61.3 | 42% | 0.417 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 6.8 | 178.2 | -68.3 | -10.4 | 0 | 0 | 0 | 112.9 | I25 V27 T31 Q50 | I25-N29 WeakPolarHBondContact CG2-ND2 3.4Å; I25-N29 WeakPolarHBondContact O-CB 3.36Å; I25-N29 PolarHBondContact O-N 3.49Å; V27-N29 PolarHBondContact O-N 3.42Å; N29-T31 HydrophobicContact CB-CG2 4.05Å; N29-T31 PolarHBondContact O-N 3.01Å; N29-Q50 PolarHBondContact ND2-NE2 2.89Å; N29-Q50 VanDerWaalsContact ND2-NE2 3.13Å |
| 30 | E | 96.4 | Very high | 96.4 | Very high | 175 Ų | 175 | 61.8 Ų | 61.8 | 82% | 0.818 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 20.2 | -179.9 | -56.8 | -177.9 | -177.6 | 0 | 0 | 114.6 | A26 V27 S28 V32 | A26-E30 PolarHBondContact O-N 2.99Å; V27-E30 PolarHBondContact O-N 2.93Å; S28-E30 VanDerWaalsContact C-N 3.34Å; E30-V32 VanDerWaalsContact C-N 3.25Å; E30-V32 PolarHBondContact O-N 3.08Å |
| 31 | T | 95.9 | Very high | 96.4 | Very high | 44 Ų | 44 | 56.7 Ų | 56.7 | 27% | 0.27 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -75.4 | -16 | 178 | 54.4 | 0 | 0 | 0 | 0 | 113.1 | A26 N29 Y47 Q50 | A26-T31 WeakPolarHBondContact CA-OG1 3.49Å; A26-T31 PolarHBondContact O-N 3.27Å; A26-T31 PolarHBondContact O-OG1 3.15Å; N29-T31 HydrophobicContact CB-CG2 4.05Å; N29-T31 PolarHBondContact O-N 3.01Å; T31-Y47 HydrophobicContact CG2-CD2 3.98Å; T31-Y47 HydrophobicContact CG2-CG 4.31Å; T31-Q50 PolarHBondContact OG1-NE2 3.27Å |
| 32 | V | 95.9 | Very high | 96.2 | Very high | 16 Ų | 16 | 53.8 Ų | 53.8 | 10% | 0.097 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -129 | 133.4 | 171.1 | -64.9 | 0 | 0 | 0 | 0 | 109.6 | A26 V27 E30 I34 P39 E43 | A26-V32 HydrophobicContact CB-CG1 4.26Å; A26-V32 HydrophobicContact CB-CG2 3.83Å; V27-V32 HydrophobicContact CG2-CG2 3.9Å; E30-V32 VanDerWaalsContact C-N 3.25Å; E30-V32 PolarHBondContact O-N 3.08Å; V32-I34 HydrophobicContact CG2-CG2 4.45Å; V32-P39 HydrophobicContact CB-CB 4.01Å; V32-P39 HydrophobicContact CB-CG 4.01Å; V32-P39 HydrophobicContact CG1-CB 3.86Å; V32-P39 HydrophobicContact CG1-CG 4.21Å; V32-P39 HydrophobicContact CG2-CG 4.07Å; V32-E43 HydrophobicContact CG1-CB 4.45Å |
| 33 | N | 92.7 | Very high | 96.1 | Very high | 104 Ų | 104 | 56 Ų | 56 | 56% | 0.556 | 32% | 0.32 | S | S | * | . | trans | -97.2 | 94.9 | 178.6 | -177.4 | -2.5 | 0 | 0 | 0 | 111.4 | T35 G36 R37 | N33-T35 VanDerWaalsContact C-N 3.27Å; N33-T35 PolarHBondContact O-N 3.14Å; N33-T35 WeakPolarHBondContact OD1-CB 3.4Å; N33-T35 PolarHBondContact OD1-N 3.03Å; N33-T35 PolarHBondContact OD1-OG1 2.96Å; N33-G36 PolarHBondContact O-N 3.16Å; N33-G36 PolarHBondContact OD1-N 2.89Å; N33-R37 PolarHBondContact O-N 3.21Å; N33-R37 VanDerWaalsContact O-O 3.07Å | ||
| 34 | I | 93.3 | Very high | 96.1 | Very high | 88 Ų | 88 | 54.3 Ų | 54.3 | 45% | 0.451 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -16.3 | 179.8 | 61.1 | 171.3 | 0 | 0 | 0 | 114.2 | F23 V27 V32 R37 | F23-I34 HydrophobicContact CE2-CG2 4.26Å; F23-I34 HydrophobicContact CZ-CG2 4.37Å; V27-I34 HydrophobicContact CG1-CD1 4.01Å; V27-I34 HydrophobicContact CG2-CG2 3.83Å; V32-I34 HydrophobicContact CG2-CG2 4.45Å; I34-R37 WeakPolarHBondContact CA-O 3.05Å |
| 35 | T | 91.1 | Very high | 96 | Very high | 129 Ų | 129 | 52.6 Ų | 52.6 | 79% | 0.791 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -29.3 | 175.7 | 68.3 | 0 | 0 | 0 | 0 | 112 | N33 | N33-T35 VanDerWaalsContact C-N 3.27Å; N33-T35 PolarHBondContact O-N 3.14Å; N33-T35 WeakPolarHBondContact OD1-CB 3.4Å; N33-T35 PolarHBondContact OD1-N 3.03Å; N33-T35 PolarHBondContact OD1-OG1 2.96Å |
| 36 | G | 90.4 | Very high | 95.9 | Very high | 62 Ų | 62 | 51.3 Ų | 51.3 | 64% | 0.639 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -40.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | N33 | N33-G36 PolarHBondContact O-N 3.16Å; N33-G36 PolarHBondContact OD1-N 2.89Å |
| 37 | R | 94 | Very high | 95.8 | Very high | 76 Ų | 76 | 57.9 Ų | 57.9 | 29% | 0.287 | 32% | 0.315 | S | S | . | . | trans | -162.7 | 154.3 | -176 | 53.2 | -177.1 | -91.2 | -161.3 | -7.3 | 112.3 | N33 I34 E43 S177 | N33-R37 PolarHBondContact O-N 3.21Å; N33-R37 VanDerWaalsContact O-O 3.07Å; I34-R37 WeakPolarHBondContact CA-O 3.05Å; R37-E43 IonicContact CZ-OE1 3.47Å; R37-E43 IonicContact CZ-OE2 2.75Å; R37-E43 IonicContact NH1-OE1 2.59Å; R37-E43 IonicContact NH2-OE1 2.59Å; R37-E43 PolarHBondContact NH2-OE1 3.39Å; R37-E43 IonicContact NH2-OE2 3.88Å; R37-E43 PolarHBondContact NH2-OE2 2.91Å; R37-S177 WeakPolarHBondContact CA-OG 3.36Å; R37-S177 WeakPolarHBondContact CB-OG 3.49Å | ||
| 38 | F | 97.3 | Very high | 95.8 | Very high | 58 Ų | 58 | 61.3 Ų | 61.3 | 25% | 0.254 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -78 | 125.7 | 169.9 | -168.3 | -110 | 0 | 0 | 0 | 109.7 | F23 S177 A180 I181 W184 | F23-F38 HydrophobicContact CE2-CE2 4.19Å; F23-F38 HydrophobicContact CZ-CE2 4.34Å; F38-S177 PolarHBondContact N-OG 3.22Å; F38-S177 VanDerWaalsContact N-OG 3.14Å; F38-A180 HydrophobicContact CD1-CB 3.98Å; F38-I181 HydrophobicContact CD1-CG1 3.63Å; F38-I181 HydrophobicContact CE1-CG1 4.05Å; F38-I181 HydrophobicContact CG-CG1 4.29Å; F38-W184 HydrophobicContact CE1-CB 4.46Å; F38-W184 AromaticContact CE1-CD1 3.38Å; F38-W184 HydrophobicContact CE1-CD2 4.31Å; F38-W184 AromaticContact CE1-CG 3.82Å; F38-W184 HydrophobicContact CE1-CG 3.82Å; F38-W184 AromaticContact CE1-NE1 3.56Å; F38-W184 HydrophobicContact CZ-CD2 4.25Å; F38-W184 HydrophobicContact CZ-CG 4.21Å; F38-W184 AromaticContact CZ-NE1 3.88Å |
| 39 | P | 97.6 | Very high | 95.7 | Very high | 4 Ų | 4 | 59.9 Ų | 59.9 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -82.5 | 151.1 | -173.7 | 32.8 | -35.8 | 0 | 0 | 0 | 112.9 | F23 V32 E43 W184 | F23-P39 HydrophobicContact CD2-CG 4.24Å; F23-P39 HydrophobicContact CE2-CG 3.99Å; V32-P39 HydrophobicContact CB-CB 4.01Å; V32-P39 HydrophobicContact CB-CG 4.01Å; V32-P39 HydrophobicContact CG1-CB 3.86Å; V32-P39 HydrophobicContact CG1-CG 4.21Å; V32-P39 HydrophobicContact CG2-CG 4.07Å; P39-E43 WeakPolarHBondContact CA-OE2 3.3Å; P39-E43 HydrophobicContact CB-CB 4.19Å; P39-W184 PolarHBondContact O-NE1 3.42Å |
| 40 | Y | 97.7 | Very high | 95.7 | Very high | 20 Ų | 20 | 56.2 Ų | 56.2 | 8% | 0.078 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 156.6 | 166.8 | -67.3 | -91.2 | 0 | 0 | 0 | 110.5 | S42 E43 C44 H171 K176 A179 A180 E183 | Y40-S42 PolarHBondContact O-N 3.26Å; Y40-E43 HydrophobicContact CD2-CG 4.44Å; Y40-E43 WeakPolarHBondContact CD2-OE2 2.78Å; Y40-E43 PolarHBondContact N-OE2 2.97Å; Y40-E43 WeakPolarHBondContact O-CB 3.34Å; Y40-E43 PolarHBondContact O-N 2.85Å; Y40-E43 VanDerWaalsContact O-N 3.11Å; Y40-C44 PolarHBondContact O-N 2.79Å; Y40-C44 PolarHBondContact O-SG 3.27Å; Y40-H171 AromaticContact CZ-ND1 3.81Å; Y40-H171 PolarHBondContact OH-ND1 3.47Å; Y40-K176 HydrophobicContact CE2-CB 4.28Å; Y40-A179 HydrophobicContact CE1-CB 4Å; Y40-A179 WeakPolarHBondContact OH-CB 3.38Å; Y40-A180 HydrophobicContact CD1-CB 3.93Å; Y40-A180 HydrophobicContact CD2-CB 4.2Å; Y40-A180 HydrophobicContact CE1-CB 4.16Å; Y40-A180 HydrophobicContact CE2-CB 4.4Å; Y40-A180 HydrophobicContact CG-CB 3.96Å; Y40-E183 VanDerWaalsContact CA-OE2 3.3Å; Y40-E183 WeakPolarHBondContact CA-OE2 3.44Å; Y40-E183 VanDerWaalsContact CB-OE2 3.25Å; Y40-E183 WeakPolarHBondContact CB-OE2 3.19Å; Y40-E183 HydrophobicContact CD1-CB 4.34Å; Y40-E183 WeakPolarHBondContact CD1-OE2 3.32Å |
| 41 | I | 97.9 | Very high | 95.8 | Very high | 7 Ų | 7 | 48.1 Ų | 48.1 | 4% | 0.036 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.5 | -44.1 | 175 | -68.3 | 170.9 | 0 | 0 | 0 | 109.9 | I19 E43 C44 G45 F54 E183 W184 V187 | I19-I41 HydrophobicContact CG2-CD1 4.04Å; I19-I41 HydrophobicContact CG2-CG1 4.06Å; I19-I41 HydrophobicContact CG2-CG2 3.91Å; I41-E43 VanDerWaalsContact C-N 3.27Å; I41-E43 PolarHBondContact O-N 3.49Å; I41-C44 WeakPolarHBondContact O-CB 3.21Å; I41-C44 PolarHBondContact O-N 3.39Å; I41-C44 VanDerWaalsContact O-N 3.12Å; I41-G45 PolarHBondContact O-N 3.04Å; I41-F54 HydrophobicContact CG2-CD2 4.44Å; I41-F54 HydrophobicContact CG2-CE2 3.52Å; I41-F54 HydrophobicContact CG2-CZ 3.92Å; I41-E183 HydrophobicContact CD1-CG 4.4Å; I41-E183 PolarHBondContact N-OE2 3.43Å; I41-W184 HydrophobicContact CD1-CD2 4.05Å; I41-W184 HydrophobicContact CD1-CE3 4.37Å; I41-W184 HydrophobicContact CD1-CG 4.18Å; I41-W184 HydrophobicContact CG1-CD2 3.63Å; I41-W184 HydrophobicContact CG1-CE3 4.22Å; I41-W184 HydrophobicContact CG1-CG 3.93Å; I41-W184 HydrophobicContact CG1-CH2 4.3Å; I41-W184 HydrophobicContact CG1-CZ2 3.77Å; I41-V187 HydrophobicContact CD1-CB 3.9Å; I41-V187 HydrophobicContact CD1-CG1 4.18Å; I41-V187 HydrophobicContact CD1-CG2 3.75Å |
| 42 | S | 95.5 | Very high | 95.9 | Very high | 10 Ų | 10 | 49.6 Ų | 49.6 | 7% | 0.07 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.9 | -27.3 | 179 | 57.2 | 0 | 0 | 0 | 0 | 113.5 | Y40 T46 Q108 H115 | Y40-S42 PolarHBondContact O-N 3.26Å; S42-T46 PolarHBondContact O-N 2.84Å; S42-T46 PolarHBondContact O-OG1 2.89Å; S42-Q108 PolarHBondContact OG-NE2 3.33Å; S42-Q108 VanDerWaalsContact OG-NE2 3.09Å; S42-H115 VanDerWaalsContact CB-CE1 3.47Å; S42-H115 WeakPolarHBondContact CB-CE1 3.24Å; S42-H115 WeakPolarHBondContact CB-NE2 3.37Å |
| 43 | E | 96.8 | Very high | 96 | Very high | 46 Ų | 46 | 51.6 Ų | 51.6 | 22% | 0.215 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.3 | -41.2 | 172.6 | -70.3 | -177 | 132.4 | 0 | 0 | 110.8 | V32 R37 P39 Y40 I41 G45 T46 | V32-E43 HydrophobicContact CG1-CB 4.45Å; R37-E43 IonicContact CZ-OE1 3.47Å; R37-E43 IonicContact CZ-OE2 2.75Å; R37-E43 IonicContact NH1-OE1 2.59Å; R37-E43 IonicContact NH2-OE1 2.59Å; R37-E43 PolarHBondContact NH2-OE1 3.39Å; R37-E43 IonicContact NH2-OE2 3.88Å; R37-E43 PolarHBondContact NH2-OE2 2.91Å; P39-E43 WeakPolarHBondContact CA-OE2 3.3Å; P39-E43 HydrophobicContact CB-CB 4.19Å; Y40-E43 HydrophobicContact CD2-CG 4.44Å; Y40-E43 WeakPolarHBondContact CD2-OE2 2.78Å; Y40-E43 PolarHBondContact N-OE2 2.97Å; Y40-E43 WeakPolarHBondContact O-CB 3.34Å; Y40-E43 PolarHBondContact O-N 2.85Å; Y40-E43 VanDerWaalsContact O-N 3.11Å; I41-E43 VanDerWaalsContact C-N 3.27Å; I41-E43 PolarHBondContact O-N 3.49Å; E43-G45 VanDerWaalsContact C-N 3.25Å; E43-G45 PolarHBondContact O-N 2.96Å; E43-T46 VanDerWaalsContact O-CB 3.31Å; E43-T46 WeakPolarHBondContact O-CB 3.27Å; E43-T46 PolarHBondContact O-N 2.99Å; E43-T46 PolarHBondContact O-OG1 2.81Å |
| 44 | C | 97.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.007 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.8 | -34.6 | 177.2 | -55.4 | 0 | 0 | 0 | 0 | 112 | V22 A26 Y40 I41 T46 Q50 | V22-C44 HydrophobicContact CG1-CB 4.02Å; A26-C44 HydrophobicContact CB-CB 3.85Å; Y40-C44 PolarHBondContact O-N 2.79Å; Y40-C44 PolarHBondContact O-SG 3.27Å; I41-C44 WeakPolarHBondContact O-CB 3.21Å; I41-C44 PolarHBondContact O-N 3.39Å; I41-C44 VanDerWaalsContact O-N 3.12Å; C44-T46 VanDerWaalsContact C-N 3.34Å; C44-T46 PolarHBondContact O-N 2.59Å; C44-Q50 VanDerWaalsContact O-CB 3.23Å; C44-Q50 WeakPolarHBondContact O-CB 3.4Å |
| 45 | G | 96.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 17.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | I41 E43 S51 | I41-G45 PolarHBondContact O-N 3.04Å; E43-G45 VanDerWaalsContact C-N 3.25Å; E43-G45 PolarHBondContact O-N 2.96Å; G45-S51 WeakPolarHBondContact O-CA 3.49Å; G45-S51 WeakPolarHBondContact O-CB 3.29Å |
| 46 | T | 96 | Very high | 96.9 | Very high | 17 Ų | 17 | 43.2 Ų | 43.2 | 10% | 0.104 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -83 | -43.6 | -172.4 | -72.5 | 0 | 0 | 0 | 0 | 114.1 | S42 E43 C44 S109 | S42-T46 PolarHBondContact O-N 2.84Å; S42-T46 PolarHBondContact O-OG1 2.89Å; E43-T46 VanDerWaalsContact O-CB 3.31Å; E43-T46 WeakPolarHBondContact O-CB 3.27Å; E43-T46 PolarHBondContact O-N 2.99Å; E43-T46 PolarHBondContact O-OG1 2.81Å; C44-T46 VanDerWaalsContact C-N 3.34Å; C44-T46 PolarHBondContact O-N 2.59Å; T46-S109 VanDerWaalsContact CG2-OG 3.23Å; T46-S109 WeakPolarHBondContact CG2-OG 3.42Å |
| 47 | Y | 95.9 | Very high | 97.3 | Very high | 139 Ų | 139 | 40.8 Ų | 40.8 | 55% | 0.545 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -100.5 | 163.2 | -172.9 | -61.3 | -77.3 | 0 | 0 | 0 | 112.4 | T31 Q50 S51 | T31-Y47 HydrophobicContact CG2-CD2 3.98Å; T31-Y47 HydrophobicContact CG2-CG 4.31Å; Y47-Q50 CarbonylContact O-C 3.54Å; Y47-Q50 WeakPolarHBondContact O-CA 3.5Å; Y47-Q50 WeakPolarHBondContact O-CB 3.28Å; Y47-Q50 PolarHBondContact O-N 2.83Å; Y47-Q50 PolarHBondContact O-OE1 2.87Å; Y47-S51 PolarHBondContact O-N 3.41Å |
| 48 | N | 96.6 | Very high | 97.5 | Very high | 117 Ų | 117 | 37.5 Ų | 37.5 | 63% | 0.626 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | 141 | 173.9 | -71.7 | -16.8 | 0 | 0 | 0 | 110.8 | Q50 S51 | N48-Q50 PolarHBondContact O-OE1 2.89Å; N48-S51 PolarHBondContact OD1-OG 3.19Å |
| 49 | P | 96.6 | Very high | 97.5 | Very high | 66 Ų | 66 | 36.9 Ų | 36.9 | 43% | 0.429 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -86.9 | -4.3 | 5.8 | 35.1 | -37.1 | 0 | 0 | 0 | 115.4 | S51 C52 I53 | P49-S51 VanDerWaalsContact C-N 3.28Å; P49-S51 PolarHBondContact O-N 2.96Å; P49-C52 PolarHBondContact O-N 3.16Å; P49-I53 WeakPolarHBondContact O-CG1 3.4Å; P49-I53 PolarHBondContact O-N 3.38Å |
| 50 | Q | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.9 | -38 | -173.5 | -58.7 | 89.6 | -27.5 | 0 | 0 | 112.8 | V22 I25 A26 N29 T31 C44 Y47 N48 I53 F54 | V22-Q50 HydrophobicContact CG1-CB 4.3Å; I25-Q50 HydrophobicContact CB-CG 4.07Å; I25-Q50 HydrophobicContact CG2-CG 3.65Å; A26-Q50 HydrophobicContact CB-CG 4.41Å; N29-Q50 PolarHBondContact ND2-NE2 2.89Å; N29-Q50 VanDerWaalsContact ND2-NE2 3.13Å; T31-Q50 PolarHBondContact OG1-NE2 3.27Å; C44-Q50 VanDerWaalsContact O-CB 3.23Å; C44-Q50 WeakPolarHBondContact O-CB 3.4Å; Y47-Q50 CarbonylContact O-C 3.54Å; Y47-Q50 WeakPolarHBondContact O-CA 3.5Å; Y47-Q50 WeakPolarHBondContact O-CB 3.28Å; Y47-Q50 PolarHBondContact O-N 2.83Å; Y47-Q50 PolarHBondContact O-OE1 2.87Å; N48-Q50 PolarHBondContact O-OE1 2.89Å; Q50-I53 PolarHBondContact O-N 3.43Å; Q50-F54 VanDerWaalsContact O-CB 3.28Å; Q50-F54 WeakPolarHBondContact O-CB 3.35Å; Q50-F54 PolarHBondContact O-N 2.83Å |
| 51 | S | 97.7 | Very high | 97.7 | Very high | 5 Ų | 5 | 37.9 Ų | 37.9 | 4% | 0.035 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.7 | -40.2 | -178.6 | 89.4 | 0 | 0 | 0 | 0 | 112.5 | G45 Y47 N48 P49 F54 A55 Q107 | G45-S51 WeakPolarHBondContact O-CA 3.49Å; G45-S51 WeakPolarHBondContact O-CB 3.29Å; Y47-S51 PolarHBondContact O-N 3.41Å; N48-S51 PolarHBondContact OD1-OG 3.19Å; P49-S51 VanDerWaalsContact C-N 3.28Å; P49-S51 PolarHBondContact O-N 2.96Å; S51-F54 PolarHBondContact O-N 3.44Å; S51-A55 WeakPolarHBondContact O-CB 3.48Å; S51-A55 PolarHBondContact O-N 3.42Å; S51-Q107 PolarHBondContact OG-NE2 3.47Å |
| 52 | C | 98.1 | Very high | 97.7 | Very high | 75 Ų | 75 | 38 Ų | 38 | 51% | 0.507 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.5 | -41.6 | 175 | -58.1 | 0 | 0 | 0 | 0 | 111.5 | P49 Q56 | P49-C52 PolarHBondContact O-N 3.16Å; C52-Q56 WeakPolarHBondContact O-CB 3.48Å; C52-Q56 PolarHBondContact O-N 3.47Å |
| 53 | I | 98.4 | Very high | 97.8 | Very high | 59 Ų | 59 | 41.5 Ų | 41.5 | 30% | 0.303 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.9 | -45.5 | 178 | -62.7 | 168.6 | 0 | 0 | 0 | 110 | V22 I25 P49 Q50 Q56 I57 | V22-I53 HydrophobicContact CG2-CB 4.34Å; V22-I53 HydrophobicContact CG2-CG2 3.82Å; I25-I53 HydrophobicContact CD1-CD1 3.74Å; P49-I53 WeakPolarHBondContact O-CG1 3.4Å; P49-I53 PolarHBondContact O-N 3.38Å; Q50-I53 PolarHBondContact O-N 3.43Å; I53-Q56 PolarHBondContact O-N 2.99Å; I53-I57 HydrophobicContact CG2-CD1 3.72Å; I53-I57 HydrophobicContact CG2-CG1 4.49Å; I53-I57 WeakPolarHBondContact O-CD1 3.39Å; I53-I57 VanDerWaalsContact O-CG1 3.29Å; I53-I57 WeakPolarHBondContact O-CG1 3.4Å; I53-I57 PolarHBondContact O-N 3.28Å |
| 54 | F | 98.3 | Very high | 97.9 | Very high | 12 Ų | 12 | 40.5 Ų | 40.5 | 5% | 0.053 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.1 | -47.2 | 176.9 | -176.5 | -112.5 | 0 | 0 | 0 | 111.7 | V22 I41 Q50 S51 Q56 I57 C58 I103 | V22-F54 HydrophobicContact CG1-CB 4.31Å; V22-F54 HydrophobicContact CG1-CD2 4.47Å; V22-F54 HydrophobicContact CG2-CB 4.16Å; I41-F54 HydrophobicContact CG2-CD2 4.44Å; I41-F54 HydrophobicContact CG2-CE2 3.52Å; I41-F54 HydrophobicContact CG2-CZ 3.92Å; Q50-F54 VanDerWaalsContact O-CB 3.28Å; Q50-F54 WeakPolarHBondContact O-CB 3.35Å; Q50-F54 PolarHBondContact O-N 2.83Å; S51-F54 PolarHBondContact O-N 3.44Å; F54-Q56 VanDerWaalsContact C-N 3.32Å; F54-Q56 PolarHBondContact O-N 3.18Å; F54-I57 PolarHBondContact O-N 3.27Å; F54-C58 VanDerWaalsContact CZ-SG 3.58Å; F54-C58 WeakPolarHBondContact O-CB 3.33Å; F54-C58 PolarHBondContact O-N 3.45Å; F54-C58 PolarHBondContact O-SG 2.87Å; F54-I103 WeakPolarHBondContact CE1-O 3.26Å |
| 55 | A | 98.4 | Very high | 98 | Very high | 14 Ų | 14 | 40.5 Ų | 40.5 | 12% | 0.116 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.2 | -46.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S51 C58 N59 G104 | S51-A55 WeakPolarHBondContact O-CB 3.48Å; S51-A55 PolarHBondContact O-N 3.42Å; A55-C58 PolarHBondContact O-N 3.11Å; A55-N59 WeakPolarHBondContact O-CB 3.42Å; A55-N59 VanDerWaalsContact O-CG 3.27Å; A55-N59 PolarHBondContact O-N 3.33Å; A55-N59 PolarHBondContact O-ND2 3.12Å; A55-G104 VanDerWaalsContact CA-O 3.25Å; A55-G104 WeakPolarHBondContact CA-O 3.34Å; A55-G104 WeakPolarHBondContact CB-O 3.34Å |
| 56 | Q | 98.6 | Very high | 98 | Very high | 118 Ų | 118 | 43.6 Ų | 43.6 | 55% | 0.551 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -62.7 | -44.6 | 179.1 | -172.7 | 61.5 | 26.3 | 0 | 0 | 111.7 | C52 I53 F54 N59 V60 | C52-Q56 WeakPolarHBondContact O-CB 3.48Å; C52-Q56 PolarHBondContact O-N 3.47Å; I53-Q56 PolarHBondContact O-N 2.99Å; F54-Q56 VanDerWaalsContact C-N 3.32Å; F54-Q56 PolarHBondContact O-N 3.18Å; Q56-N59 PolarHBondContact O-N 2.98Å; Q56-V60 WeakPolarHBondContact O-CB 3.35Å; Q56-V60 VanDerWaalsContact O-CG2 3.29Å; Q56-V60 WeakPolarHBondContact O-CG2 3.5Å; Q56-V60 PolarHBondContact O-N 3.41Å |
| 57 | I | 98.6 | Very high | 98.1 | Very high | 11 Ų | 11 | 49.3 Ų | 49.3 | 6% | 0.056 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61 | -50.6 | 177.1 | -67.7 | 155.9 | 0 | 0 | 0 | 110.2 | F14 G18 V22 I53 F54 N59 V60 C61 | F14-I57 HydrophobicContact CE1-CB 4.38Å; F14-I57 HydrophobicContact CE1-CG1 4.37Å; F14-I57 HydrophobicContact CE1-CG2 4.17Å; F14-I57 HydrophobicContact CZ-CG1 4.37Å; G18-I57 VanDerWaalsContact C-CD1 3.41Å; G18-I57 VanDerWaalsContact CA-CD1 3.44Å; G18-I57 VanDerWaalsContact O-CD1 3.32Å; G18-I57 WeakPolarHBondContact O-CD1 3.48Å; V22-I57 HydrophobicContact CG2-CD1 3.71Å; I53-I57 HydrophobicContact CG2-CD1 3.72Å; I53-I57 HydrophobicContact CG2-CG1 4.49Å; I53-I57 WeakPolarHBondContact O-CD1 3.39Å; I53-I57 VanDerWaalsContact O-CG1 3.29Å; I53-I57 WeakPolarHBondContact O-CG1 3.4Å; I53-I57 PolarHBondContact O-N 3.28Å; F54-I57 PolarHBondContact O-N 3.27Å; I57-N59 PolarHBondContact O-N 2.99Å; I57-V60 PolarHBondContact O-N 3.28Å; I57-C61 WeakPolarHBondContact O-CB 3.24Å; I57-C61 PolarHBondContact O-N 3.48Å; I57-C61 PolarHBondContact O-SG 2.86Å |
| 58 | C | 98.6 | Very high | 98.2 | Very high | 8 Ų | 8 | 42.7 Ų | 42.7 | 5% | 0.054 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.9 | -45.9 | 179.3 | -76.1 | 0 | 0 | 0 | 0 | 112.1 | F54 A55 C61 A62 I100 | F54-C58 VanDerWaalsContact CZ-SG 3.58Å; F54-C58 WeakPolarHBondContact O-CB 3.33Å; F54-C58 PolarHBondContact O-N 3.45Å; F54-C58 PolarHBondContact O-SG 2.87Å; A55-C58 PolarHBondContact O-N 3.11Å; C58-C61 PolarHBondContact O-N 3.06Å; C58-A62 WeakPolarHBondContact O-CB 3.42Å; C58-A62 PolarHBondContact O-N 2.94Å; C58-I100 HydrophobicContact CB-CG2 4.2Å; C58-I100 VanDerWaalsContact O-CG2 3.27Å; C58-I100 WeakPolarHBondContact O-CG2 3.41Å |
| 59 | N | 98.8 | Very high | 98.2 | Very high | 45 Ų | 45 | 37.3 Ų | 37.3 | 24% | 0.241 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66 | -40.6 | 180 | -72.7 | -37.2 | 0 | 0 | 0 | 112.2 | A55 Q56 I57 A62 V63 S101 N105 | A55-N59 WeakPolarHBondContact O-CB 3.42Å; A55-N59 VanDerWaalsContact O-CG 3.27Å; A55-N59 PolarHBondContact O-N 3.33Å; A55-N59 PolarHBondContact O-ND2 3.12Å; Q56-N59 PolarHBondContact O-N 2.98Å; I57-N59 PolarHBondContact O-N 2.99Å; N59-A62 PolarHBondContact O-N 2.91Å; N59-V63 WeakPolarHBondContact O-CG2 3.45Å; N59-V63 PolarHBondContact O-N 3.38Å; N59-V63 VanDerWaalsContact O-N 3.12Å; N59-S101 PolarHBondContact OD1-OG 3.02Å; N59-N105 PolarHBondContact ND2-ND2 2.99Å; N59-N105 PolarHBondContact ND2-OD1 2.86Å; N59-N105 VanDerWaalsContact ND2-OD1 3.13Å; N59-N105 PolarHBondContact OD1-ND2 3.42Å |
| 60 | V | 98.8 | Very high | 98.2 | Very high | 38 Ų | 38 | 36.4 Ų | 36.4 | 23% | 0.23 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63 | -46.9 | 173.4 | 170.4 | 0 | 0 | 0 | 0 | 110.4 | F14 Q56 I57 A62 V63 L64 | F14-V60 HydrophobicContact CD1-CG1 3.93Å; F14-V60 HydrophobicContact CE1-CB 3.72Å; F14-V60 HydrophobicContact CE1-CG1 3.51Å; F14-V60 HydrophobicContact CE1-CG2 4.45Å; F14-V60 HydrophobicContact CZ-CB 4.23Å; F14-V60 HydrophobicContact CZ-CG1 4.02Å; F14-V60 HydrophobicContact CZ-CG2 4.49Å; Q56-V60 WeakPolarHBondContact O-CB 3.35Å; Q56-V60 VanDerWaalsContact O-CG2 3.29Å; Q56-V60 WeakPolarHBondContact O-CG2 3.5Å; Q56-V60 PolarHBondContact O-N 3.41Å; I57-V60 PolarHBondContact O-N 3.28Å; V60-A62 VanDerWaalsContact C-N 3.31Å; V60-A62 PolarHBondContact O-N 3.39Å; V60-V63 PolarHBondContact O-N 3.43Å; V60-L64 HydrophobicContact CG1-CD1 3.76Å; V60-L64 HydrophobicContact CG1-CG 4.3Å; V60-L64 VanDerWaalsContact O-CG 3.27Å; V60-L64 WeakPolarHBondContact O-CG 3.47Å; V60-L64 PolarHBondContact O-N 3.14Å |
| 61 | C | 98.8 | Very high | 98 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.1 | -40 | 175.6 | -74.1 | 0 | 0 | 0 | 0 | 112.4 | L11 I57 C58 L64 A65 I100 | L11-C61 HydrophobicContact CD1-CB 3.73Å; L11-C61 WeakPolarHBondContact CD1-O 3.23Å; I57-C61 WeakPolarHBondContact O-CB 3.24Å; I57-C61 PolarHBondContact O-N 3.48Å; I57-C61 PolarHBondContact O-SG 2.86Å; C58-C61 PolarHBondContact O-N 3.06Å; C61-L64 PolarHBondContact O-N 3.33Å; C61-A65 WeakPolarHBondContact O-CB 3.39Å; C61-A65 PolarHBondContact O-N 3.47Å; C61-I100 HydrophobicContact CB-CG2 4.44Å |
| 62 | A | 98.8 | Very high | 97.8 | Very high | 9 Ų | 9 | 36.5 Ų | 36.5 | 7% | 0.074 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.2 | -44.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | C58 N59 V60 L66 I100 | C58-A62 WeakPolarHBondContact O-CB 3.42Å; C58-A62 PolarHBondContact O-N 2.94Å; N59-A62 PolarHBondContact O-N 2.91Å; V60-A62 VanDerWaalsContact C-N 3.31Å; V60-A62 PolarHBondContact O-N 3.39Å; A62-L66 WeakPolarHBondContact O-CB 3.3Å; A62-L66 PolarHBondContact O-N 3.25Å; A62-I100 HydrophobicContact CB-CB 4.11Å; A62-I100 HydrophobicContact CB-CG2 4.01Å |
| 63 | V | 98.6 | Very high | 97.7 | Very high | 85 Ų | 85 | 34.8 Ų | 34.8 | 52% | 0.515 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -66.6 | -44.8 | 177.6 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | N59 V60 L66 W67 | N59-V63 WeakPolarHBondContact O-CG2 3.45Å; N59-V63 PolarHBondContact O-N 3.38Å; N59-V63 VanDerWaalsContact O-N 3.12Å; V60-V63 PolarHBondContact O-N 3.43Å; V63-L66 WeakPolarHBondContact O-CB 3.31Å; V63-L66 PolarHBondContact O-N 3.04Å; V63-W67 PolarHBondContact O-N 3.03Å; V63-W67 VanDerWaalsContact O-N 3.11Å |
| 64 | L | 98.4 | Very high | 97.3 | Very high | 24 Ų | 24 | 34.8 Ų | 34.8 | 13% | 0.126 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.6 | -43.8 | 178.1 | -67.1 | 171.8 | 0 | 0 | 0 | 111.4 | L7 F10 L11 V60 C61 L66 W67 V68 | L7-L64 HydrophobicContact CD1-CD2 3.55Å; F10-L64 HydrophobicContact CD1-CD1 3.64Å; F10-L64 HydrophobicContact CD1-CD2 4.25Å; F10-L64 HydrophobicContact CE1-CD1 3.79Å; L11-L64 HydrophobicContact CB-CB 4.07Å; L11-L64 HydrophobicContact CB-CD1 4.23Å; L11-L64 HydrophobicContact CD1-CB 4Å; L11-L64 HydrophobicContact CD1-CD1 4.39Å; L11-L64 HydrophobicContact CD2-CB 4.48Å; L11-L64 HydrophobicContact CG-CB 4.4Å; V60-L64 HydrophobicContact CG1-CD1 3.76Å; V60-L64 HydrophobicContact CG1-CG 4.3Å; V60-L64 VanDerWaalsContact O-CG 3.27Å; V60-L64 WeakPolarHBondContact O-CG 3.47Å; V60-L64 PolarHBondContact O-N 3.14Å; C61-L64 PolarHBondContact O-N 3.33Å; L64-L66 VanDerWaalsContact C-N 3.33Å; L64-L66 PolarHBondContact O-N 3.35Å; L64-W67 PolarHBondContact O-N 2.97Å; L64-V68 WeakPolarHBondContact O-CG2 3.42Å; L64-V68 PolarHBondContact O-N 3.26Å |
| 65 | A | 98.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.9 | -41.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | L11 C61 W67 V68 V69 F194 | L11-A65 HydrophobicContact CD2-CB 3.96Å; C61-A65 WeakPolarHBondContact O-CB 3.39Å; C61-A65 PolarHBondContact O-N 3.47Å; A65-W67 VanDerWaalsContact C-N 3.33Å; A65-W67 PolarHBondContact O-N 3.3Å; A65-V68 PolarHBondContact O-N 2.9Å; A65-V69 VanDerWaalsContact O-CG2 3.26Å; A65-V69 WeakPolarHBondContact O-CG2 3.25Å; A65-V69 PolarHBondContact O-N 2.9Å; A65-F194 HydrophobicContact CB-CE1 4.01Å; A65-F194 HydrophobicContact CB-CE2 4.49Å; A65-F194 HydrophobicContact CB-CZ 3.82Å |
| 66 | L | 98.4 | Very high | 96.5 | Very high | 67 Ų | 67 | 33.9 Ų | 33.9 | 35% | 0.351 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -57.6 | -46.2 | 175.5 | -173.6 | 155.3 | 0 | 0 | 0 | 111.1 | A62 V63 L64 V69 V70 F94 C97 | A62-L66 WeakPolarHBondContact O-CB 3.3Å; A62-L66 PolarHBondContact O-N 3.25Å; V63-L66 WeakPolarHBondContact O-CB 3.31Å; V63-L66 PolarHBondContact O-N 3.04Å; L64-L66 VanDerWaalsContact C-N 3.33Å; L64-L66 PolarHBondContact O-N 3.35Å; L66-V69 PolarHBondContact O-N 3.24Å; L66-V70 HydrophobicContact CD2-CG2 4.17Å; L66-V70 WeakPolarHBondContact O-CG2 3.49Å; L66-V70 PolarHBondContact O-N 2.97Å; L66-F94 HydrophobicContact CD2-CE1 4.28Å; L66-F94 HydrophobicContact CG-CD1 4.17Å; L66-F94 HydrophobicContact CG-CE1 3.92Å; L66-C97 HydrophobicContact CB-CB 4.49Å; L66-C97 PolarHBondContact N-SG 3.07Å; L66-C97 VanDerWaalsContact N-SG 3.45Å |
| 67 | W | 97.4 | Very high | 96 | Very high | 137 Ų | 137 | 33.4 Ų | 33.4 | 52% | 0.519 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -63.5 | -42.2 | 175.7 | -82.8 | 110 | 0 | 0 | 0 | 112.8 | L7 V63 L64 A65 V69 V70 I71 | L7-W67 HydrophobicContact CD2-CB 3.79Å; V63-W67 PolarHBondContact O-N 3.03Å; V63-W67 VanDerWaalsContact O-N 3.11Å; L64-W67 PolarHBondContact O-N 2.97Å; A65-W67 VanDerWaalsContact C-N 3.33Å; A65-W67 PolarHBondContact O-N 3.3Å; W67-V69 VanDerWaalsContact C-N 3.3Å; W67-V69 PolarHBondContact O-N 3.19Å; W67-V70 PolarHBondContact O-N 3.5Å; W67-I71 WeakPolarHBondContact O-CD1 3.22Å; W67-I71 VanDerWaalsContact O-CG1 3.27Å; W67-I71 WeakPolarHBondContact O-CG1 3.32Å; W67-I71 PolarHBondContact O-N 3.49Å |
| 68 | V | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.6 | -43.8 | 174.6 | 171 | 0 | 0 | 0 | 0 | 110.9 | L7 P8 L11 L64 A65 I71 R72 F194 F197 F201 | L7-V68 HydrophobicContact CD2-CG2 3.83Å; L7-V68 HydrophobicContact CG-CG2 4.05Å; P8-V68 HydrophobicContact CB-CG2 3.99Å; L11-V68 HydrophobicContact CD2-CG2 4.37Å; L64-V68 WeakPolarHBondContact O-CG2 3.42Å; L64-V68 PolarHBondContact O-N 3.26Å; A65-V68 PolarHBondContact O-N 2.9Å; V68-I71 PolarHBondContact O-N 3.43Å; V68-R72 VanDerWaalsContact O-CB 3.28Å; V68-R72 WeakPolarHBondContact O-CB 3.29Å; V68-R72 PolarHBondContact O-N 3.3Å; V68-F194 HydrophobicContact CG1-CD1 4.05Å; V68-F194 HydrophobicContact CG1-CE1 4.35Å; V68-F197 HydrophobicContact CG1-CB 4.21Å; V68-F197 HydrophobicContact CG1-CD2 3.58Å; V68-F197 HydrophobicContact CG1-CE2 4.11Å; V68-F197 HydrophobicContact CG1-CG 3.93Å; V68-F201 HydrophobicContact CB-CE2 4.38Å; V68-F201 HydrophobicContact CG1-CE2 3.93Å; V68-F201 HydrophobicContact CG1-CZ 4.02Å; V68-F201 HydrophobicContact CG2-CE2 4.37Å |
| 69 | V | 97.9 | Very high | 94.7 | Very high | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.9 | -44.9 | 177.4 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | A65 L66 W67 R72 F73 I90 F94 Y129 | A65-V69 VanDerWaalsContact O-CG2 3.26Å; A65-V69 WeakPolarHBondContact O-CG2 3.25Å; A65-V69 PolarHBondContact O-N 2.9Å; L66-V69 PolarHBondContact O-N 3.24Å; W67-V69 VanDerWaalsContact C-N 3.3Å; W67-V69 PolarHBondContact O-N 3.19Å; V69-R72 PolarHBondContact O-N 3.19Å; V69-F73 WeakPolarHBondContact O-CB 3.35Å; V69-F73 PolarHBondContact O-N 3.39Å; V69-I90 HydrophobicContact CG1-CB 4.28Å; V69-I90 HydrophobicContact CG1-CG1 3.94Å; V69-F94 HydrophobicContact CG1-CD1 4.08Å; V69-F94 HydrophobicContact CG1-CE1 4.08Å; V69-Y129 HydrophobicContact CG1-CE2 4.17Å; V69-Y129 HydrophobicContact CG2-CE1 4.34Å; V69-Y129 HydrophobicContact CG2-CE2 3.96Å |
| 70 | V | 96.4 | Very high | 93.9 | Very high | 47 Ų | 47 | 42.5 Ų | 42.5 | 29% | 0.285 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63 | -48.5 | 178 | 170.9 | 0 | 0 | 0 | 0 | 111.5 | L66 W67 R72 F73 Q74 I90 F94 | L66-V70 HydrophobicContact CD2-CG2 4.17Å; L66-V70 WeakPolarHBondContact O-CG2 3.49Å; L66-V70 PolarHBondContact O-N 2.97Å; W67-V70 PolarHBondContact O-N 3.5Å; V70-R72 VanDerWaalsContact C-N 3.3Å; V70-R72 PolarHBondContact O-N 2.96Å; V70-F73 WeakPolarHBondContact O-CB 3.36Å; V70-F73 PolarHBondContact O-N 3.05Å; V70-Q74 PolarHBondContact O-N 3.49Å; V70-I90 HydrophobicContact CG2-CD1 4.45Å; V70-F94 HydrophobicContact CG2-CE1 3.73Å; V70-F94 HydrophobicContact CG2-CZ 3.7Å |
| 71 | I | 93.8 | Very high | 93 | Very high | 6 Ų | 6 | 43.2 Ų | 43.2 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.2 | -43.6 | 179.1 | -67.4 | 163.7 | 0 | 0 | 0 | 109.8 | W4 L7 W67 V68 F73 Q74 Q75 F201 I204 | W4-I71 HydrophobicContact CD2-CD1 4.35Å; W4-I71 HydrophobicContact CE3-CD1 3.43Å; W4-I71 VanDerWaalsContact CE3-CD1 3.43Å; W4-I71 HydrophobicContact CE3-CG1 4.46Å; W4-I71 HydrophobicContact CZ3-CD1 3.69Å; L7-I71 HydrophobicContact CD2-CD1 3.65Å; W67-I71 WeakPolarHBondContact O-CD1 3.22Å; W67-I71 VanDerWaalsContact O-CG1 3.27Å; W67-I71 WeakPolarHBondContact O-CG1 3.32Å; W67-I71 PolarHBondContact O-N 3.49Å; V68-I71 PolarHBondContact O-N 3.43Å; I71-F73 PolarHBondContact O-N 2.98Å; I71-Q74 PolarHBondContact O-N 3.42Å; I71-Q75 WeakPolarHBondContact O-CB 3.33Å; I71-Q75 PolarHBondContact O-N 3.49Å; I71-F201 HydrophobicContact CB-CE2 4.02Å; I71-F201 HydrophobicContact CB-CZ 4.03Å; I71-F201 HydrophobicContact CG2-CD1 4.23Å; I71-F201 HydrophobicContact CG2-CD2 4Å; I71-F201 HydrophobicContact CG2-CE1 3.97Å; I71-F201 HydrophobicContact CG2-CE2 3.73Å; I71-F201 HydrophobicContact CG2-CG 4.25Å; I71-F201 HydrophobicContact CG2-CZ 3.71Å; I71-I204 HydrophobicContact CG2-CD1 3.5Å |
| 72 | R | 93.8 | Very high | 92 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.008 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.2 | -42.9 | 178 | -178.7 | 54.1 | 175.6 | -170.6 | -6.6 | 112.1 | V68 V69 V70 Q74 Q75 V76 F197 E200 F201 | V68-R72 VanDerWaalsContact O-CB 3.28Å; V68-R72 WeakPolarHBondContact O-CB 3.29Å; V68-R72 PolarHBondContact O-N 3.3Å; V69-R72 PolarHBondContact O-N 3.19Å; V70-R72 VanDerWaalsContact C-N 3.3Å; V70-R72 PolarHBondContact O-N 2.96Å; R72-Q74 VanDerWaalsContact C-N 3.33Å; R72-Q74 PolarHBondContact O-N 3.41Å; R72-Q75 PolarHBondContact O-N 2.9Å; R72-V76 WeakPolarHBondContact O-CG2 3.15Å; R72-V76 PolarHBondContact O-N 3.06Å; R72-F197 HydrophobicContact CB-CE1 4.17Å; R72-F197 HydrophobicContact CG-CD1 4.28Å; R72-F197 HydrophobicContact CG-CE1 3.59Å; R72-F197 HydrophobicContact CG-CZ 4.22Å; R72-E200 IonicContact CZ-OE1 3.16Å; R72-E200 IonicContact CZ-OE2 3.19Å; R72-E200 IonicContact NH1-OE1 3.73Å; R72-E200 PolarHBondContact NH1-OE1 2.94Å; R72-E200 IonicContact NH1-OE2 2.96Å; R72-E200 PolarHBondContact NH1-OE2 3.49Å; R72-E200 IonicContact NH2-OE1 2.83Å; R72-E200 PolarHBondContact NH2-OE1 3.49Å; R72-E200 VanDerWaalsContact NH2-OE1 3.16Å; R72-E200 IonicContact NH2-OE2 3.92Å; R72-F201 HydrophobicContact CB-CE1 4.25Å; R72-F201 HydrophobicContact CB-CZ 4.03Å |
| 73 | F | 94.2 | Very high | 91.4 | Very high | 39 Ų | 39 | 48.6 Ų | 48.6 | 17% | 0.171 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.8 | -48 | 176 | 173.8 | -100.5 | 0 | 0 | 0 | 111.2 | V69 V70 I71 V76 R77 N86 I87 I90 | V69-F73 WeakPolarHBondContact O-CB 3.35Å; V69-F73 PolarHBondContact O-N 3.39Å; V70-F73 WeakPolarHBondContact O-CB 3.36Å; V70-F73 PolarHBondContact O-N 3.05Å; I71-F73 PolarHBondContact O-N 2.98Å; F73-V76 PolarHBondContact O-N 2.97Å; F73-R77 VanDerWaalsContact CE1-CD 3.44Å; F73-R77 HydrophobicContact CE1-CG 4.36Å; F73-R77 HydrophobicContact CZ-CG 4.36Å; F73-R77 WeakPolarHBondContact O-CG 3.38Å; F73-R77 PolarHBondContact O-N 3.45Å; F73-R77 VanDerWaalsContact O-N 3.15Å; F73-N86 HydrophobicContact CD2-CB 4.39Å; F73-N86 VanDerWaalsContact CD2-CG 3.46Å; F73-N86 WeakPolarHBondContact CD2-ND2 3.32Å; F73-N86 WeakPolarHBondContact CD2-O 3.45Å; F73-N86 WeakPolarHBondContact CD2-OD1 3.45Å; F73-N86 HydrophobicContact CE2-CB 4.36Å; F73-N86 PolarHBondContact O-ND2 3.06Å; F73-I87 HydrophobicContact CE2-CG1 4.21Å; F73-I90 HydrophobicContact CB-CB 4.12Å; F73-I90 HydrophobicContact CB-CD1 3.73Å; F73-I90 HydrophobicContact CB-CG1 4.42Å; F73-I90 HydrophobicContact CD1-CD1 3.86Å; F73-I90 HydrophobicContact CD2-CB 3.74Å; F73-I90 HydrophobicContact CD2-CD1 4.18Å; F73-I90 HydrophobicContact CD2-CG2 3.51Å; F73-I90 HydrophobicContact CE2-CB 4.4Å; F73-I90 HydrophobicContact CE2-CG2 3.67Å; F73-I90 HydrophobicContact CG-CB 4.03Å; F73-I90 HydrophobicContact CG-CD1 3.65Å; F73-I90 HydrophobicContact CG-CG1 4.44Å; F73-I90 HydrophobicContact CG-CG2 4.14Å; F73-I90 HydrophobicContact CZ-CG2 4.38Å |
| 74 | Q | 91.5 | Very high | 91.2 | Very high | 58 Ų | 58 | 53.6 Ų | 53.6 | 27% | 0.271 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.6 | -45.5 | 177.7 | -172.4 | 58.4 | 51.3 | 0 | 0 | 111.5 | V70 I71 R72 V76 R77 D78 F206 | V70-Q74 PolarHBondContact O-N 3.49Å; I71-Q74 PolarHBondContact O-N 3.42Å; R72-Q74 VanDerWaalsContact C-N 3.33Å; R72-Q74 PolarHBondContact O-N 3.41Å; Q74-V76 VanDerWaalsContact C-N 3.3Å; Q74-V76 PolarHBondContact O-N 3.4Å; Q74-R77 WeakPolarHBondContact O-CA 3.49Å; Q74-R77 WeakPolarHBondContact O-CB 3.39Å; Q74-R77 PolarHBondContact O-N 2.88Å; Q74-D78 PolarHBondContact NE2-OD1 2.96Å; Q74-D78 VanDerWaalsContact O-CG 3.26Å; Q74-D78 PolarHBondContact O-N 3.28Å; Q74-F206 HydrophobicContact CG-CZ 4.15Å |
| 75 | Q | 89.3 | Confident | 91 | Very high | 7 Ų | 7 | 54.2 Ų | 54.2 | 3% | 0.033 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55 | -44.3 | 177.3 | -174 | -174.4 | 28.7 | 0 | 0 | 112.1 | I71 R72 R77 D78 Y79 E200 I204 | I71-Q75 WeakPolarHBondContact O-CB 3.33Å; I71-Q75 PolarHBondContact O-N 3.49Å; R72-Q75 PolarHBondContact O-N 2.9Å; Q75-R77 VanDerWaalsContact C-N 3.33Å; Q75-R77 PolarHBondContact O-N 2.91Å; Q75-D78 PolarHBondContact O-N 3.43Å; Q75-Y79 HydrophobicContact CG-CD2 4.34Å; Q75-Y79 HydrophobicContact CG-CE2 3.66Å; Q75-Y79 PolarHBondContact NE2-OH 3.35Å; Q75-Y79 VanDerWaalsContact NE2-OH 3.15Å; Q75-Y79 WeakPolarHBondContact O-CD2 3.22Å; Q75-Y79 PolarHBondContact O-N 2.93Å; Q75-Y79 VanDerWaalsContact O-N 3.16Å; Q75-E200 PolarHBondContact NE2-O 2.59Å; Q75-I204 HydrophobicContact CB-CD1 4.18Å; Q75-I204 HydrophobicContact CG-CD1 4.13Å |
| 76 | V | 89.4 | Confident | 90.8 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.6 | -35.6 | 177.8 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | R72 F73 Q74 Y79 Q81 N86 L136 | R72-V76 WeakPolarHBondContact O-CG2 3.15Å; R72-V76 PolarHBondContact O-N 3.06Å; F73-V76 PolarHBondContact O-N 2.97Å; Q74-V76 VanDerWaalsContact C-N 3.3Å; Q74-V76 PolarHBondContact O-N 3.4Å; V76-Y79 PolarHBondContact O-N 3.25Å; V76-Q81 HydrophobicContact CG1-CB 3.85Å; V76-Q81 WeakPolarHBondContact O-CB 3.29Å; V76-Q81 PolarHBondContact O-N 3.13Å; V76-N86 HydrophobicContact CG1-CB 4Å; V76-N86 VanDerWaalsContact CG1-CG 3.48Å; V76-N86 WeakPolarHBondContact CG1-ND2 3.36Å; V76-L136 HydrophobicContact CG1-CD2 4.09Å; V76-L136 HydrophobicContact CG2-CD1 4.5Å |
| 77 | R | 89.1 | Confident | 90.7 | Very high | 109 Ų | 109 | 55.8 Ų | 55.8 | 41% | 0.411 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.1 | -40.3 | 173.7 | -68.1 | -176.2 | 68 | -168.2 | 1.1 | 112.1 | F73 Q74 Q75 Y79 G80 N82 N86 | F73-R77 VanDerWaalsContact CE1-CD 3.44Å; F73-R77 HydrophobicContact CE1-CG 4.36Å; F73-R77 HydrophobicContact CZ-CG 4.36Å; F73-R77 WeakPolarHBondContact O-CG 3.38Å; F73-R77 PolarHBondContact O-N 3.45Å; F73-R77 VanDerWaalsContact O-N 3.15Å; Q74-R77 WeakPolarHBondContact O-CA 3.49Å; Q74-R77 WeakPolarHBondContact O-CB 3.39Å; Q74-R77 PolarHBondContact O-N 2.88Å; Q75-R77 VanDerWaalsContact C-N 3.33Å; Q75-R77 PolarHBondContact O-N 2.91Å; R77-Y79 PolarHBondContact O-N 3.31Å; R77-G80 WeakPolarHBondContact O-CA 3.21Å; R77-G80 PolarHBondContact O-N 3.45Å; R77-N82 WeakPolarHBondContact CG-OD1 3.2Å; R77-N82 PolarHBondContact NE-OD1 3.02Å; R77-N82 VanDerWaalsContact NE-OD1 3.08Å; R77-N86 WeakPolarHBondContact CG-ND2 3.38Å |
| 78 | D | 86.3 | Confident | 90.7 | Very high | 107 Ų | 107 | 51.3 Ų | 51.3 | 57% | 0.572 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -65.9 | -28.2 | 179.6 | -63.4 | -20 | 0 | 0 | 0 | 111.7 | Q74 Q75 G80 | Q74-D78 PolarHBondContact NE2-OD1 2.96Å; Q74-D78 VanDerWaalsContact O-CG 3.26Å; Q74-D78 PolarHBondContact O-N 3.28Å; Q75-D78 PolarHBondContact O-N 3.43Å; D78-G80 PolarHBondContact O-N 2.84Å; D78-G80 VanDerWaalsContact O-N 3.15Å |
| 79 | Y | 84.1 | Confident | 90.7 | Very high | 91 Ų | 91 | 51.3 Ų | 51.3 | 36% | 0.357 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 11.5 | 168.1 | -62.6 | -37.4 | 0 | 0 | 0 | 114.5 | Q75 V76 R77 Q81 A140 P142 | Q75-Y79 HydrophobicContact CG-CD2 4.34Å; Q75-Y79 HydrophobicContact CG-CE2 3.66Å; Q75-Y79 PolarHBondContact NE2-OH 3.35Å; Q75-Y79 VanDerWaalsContact NE2-OH 3.15Å; Q75-Y79 WeakPolarHBondContact O-CD2 3.22Å; Q75-Y79 PolarHBondContact O-N 2.93Å; Q75-Y79 VanDerWaalsContact O-N 3.16Å; V76-Y79 PolarHBondContact O-N 3.25Å; R77-Y79 PolarHBondContact O-N 3.31Å; Y79-Q81 VanDerWaalsContact C-N 3.26Å; Y79-Q81 PolarHBondContact O-N 2.87Å; Y79-A140 HydrophobicContact CD2-CB 4.47Å; Y79-P142 HydrophobicContact CD2-CB 3.98Å; Y79-P142 HydrophobicContact CD2-CG 4.49Å; Y79-P142 HydrophobicContact CE1-CB 4.39Å; Y79-P142 HydrophobicContact CE2-CB 3.56Å; Y79-P142 HydrophobicContact CE2-CG 4.22Å |
| 80 | G | 81.5 | Confident | 90.7 | Very high | 56 Ų | 56 | 52.5 Ų | 52.5 | 58% | 0.577 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | 6.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | R77 D78 N82 | R77-G80 WeakPolarHBondContact O-CA 3.21Å; R77-G80 PolarHBondContact O-N 3.45Å; D78-G80 PolarHBondContact O-N 2.84Å; D78-G80 VanDerWaalsContact O-N 3.15Å; G80-N82 PolarHBondContact O-N 2.8Å |
| 81 | Q | 78.9 | Confident | 90.8 | Very high | 53 Ų | 53 | 53.8 Ų | 53.8 | 25% | 0.248 | 28% | 0.281 | C | S | . | . | trans | -95.1 | 67.4 | -176.8 | -64.4 | -66.6 | -37.3 | 0 | 0 | 112 | V76 Y79 S83 A140 | V76-Q81 HydrophobicContact CG1-CB 3.85Å; V76-Q81 WeakPolarHBondContact O-CB 3.29Å; V76-Q81 PolarHBondContact O-N 3.13Å; Y79-Q81 VanDerWaalsContact C-N 3.26Å; Y79-Q81 PolarHBondContact O-N 2.87Å; Q81-S83 PolarHBondContact O-N 3.25Å; Q81-A140 HydrophobicContact CG-CB 4.05Å | ||
| 82 | N | 78.5 | Confident | 91.1 | Very high | 113 Ų | 113 | 55.6 Ų | 55.6 | 60% | 0.604 | 29% | 0.291 | S | S | * | . | trans | -76.3 | 60 | 172.9 | -68.5 | -51.6 | 0 | 0 | 0 | 111.8 | R77 G80 | R77-N82 WeakPolarHBondContact CG-OD1 3.2Å; R77-N82 PolarHBondContact NE-OD1 3.02Å; R77-N82 VanDerWaalsContact NE-OD1 3.08Å; G80-N82 PolarHBondContact O-N 2.8Å | ||
| 83 | S | 86.4 | Confident | 91.3 | Very high | 16 Ų | 16 | 55.6 Ų | 55.6 | 11% | 0.112 | 29% | 0.291 | C | S | . | . | trans | -93.8 | 151.7 | -175.7 | 72.7 | 0 | 0 | 0 | 0 | 112.9 | Q81 V85 N86 I87 | Q81-S83 PolarHBondContact O-N 3.25Å; S83-V85 PolarHBondContact O-N 3.25Å; S83-V85 VanDerWaalsContact O-N 3.11Å; S83-N86 WeakPolarHBondContact O-CB 3.25Å; S83-N86 PolarHBondContact O-N 3.01Å; S83-N86 PolarHBondContact OG-N 3.48Å; S83-I87 PolarHBondContact O-N 3.39Å | ||
| 84 | K | 93.6 | Very high | 91.5 | Very high | 190 Ų | 190 | 57.6 Ų | 57.6 | 83% | 0.826 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -53.9 | -29.3 | 170.6 | -67.2 | -176.6 | -179.8 | 179.3 | 0 | 112.4 | I87 A88 | K84-I87 PolarHBondContact O-N 3.06Å; K84-A88 WeakPolarHBondContact O-CB 3.36Å; K84-A88 PolarHBondContact O-N 3.41Å |
| 85 | V | 94.1 | Very high | 91.9 | Very high | 36 Ų | 36 | 57.9 Ų | 57.9 | 22% | 0.218 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -73.4 | -33.9 | 178.2 | 177.6 | 0 | 0 | 0 | 0 | 112.3 | S83 I87 A88 S89 L132 W135 L136 | S83-V85 PolarHBondContact O-N 3.25Å; S83-V85 VanDerWaalsContact O-N 3.11Å; V85-I87 VanDerWaalsContact C-N 3.3Å; V85-I87 PolarHBondContact O-N 2.9Å; V85-A88 PolarHBondContact O-N 3.31Å; V85-S89 WeakPolarHBondContact O-CB 3.49Å; V85-S89 PolarHBondContact O-N 2.8Å; V85-L132 HydrophobicContact CG1-CB 4.3Å; V85-L132 HydrophobicContact CG1-CD1 4.22Å; V85-L132 HydrophobicContact CG1-CD2 3.82Å; V85-L132 HydrophobicContact CG1-CG 4.34Å; V85-W135 HydrophobicContact CB-CE3 3.84Å; V85-W135 HydrophobicContact CB-CH2 3.74Å; V85-W135 HydrophobicContact CB-CZ3 3.19Å; V85-W135 HydrophobicContact CG1-CD2 4.3Å; V85-W135 HydrophobicContact CG1-CE3 3.31Å; V85-W135 HydrophobicContact CG1-CH2 4.14Å; V85-W135 HydrophobicContact CG1-CZ3 3.26Å; V85-W135 HydrophobicContact CG2-CE3 4.13Å; V85-W135 HydrophobicContact CG2-CH2 3.38Å; V85-W135 HydrophobicContact CG2-CZ2 4.22Å; V85-W135 HydrophobicContact CG2-CZ3 3.4Å; V85-L136 HydrophobicContact CG1-CD2 4.23Å; V85-L136 HydrophobicContact CG1-CG 4.3Å |
| 86 | N | 94.9 | Very high | 92.3 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.011 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 172.1 | -166.7 | 27.5 | 0 | 0 | 0 | 110.7 | F73 V76 R77 S83 S89 I90 L136 | F73-N86 HydrophobicContact CD2-CB 4.39Å; F73-N86 VanDerWaalsContact CD2-CG 3.46Å; F73-N86 WeakPolarHBondContact CD2-ND2 3.32Å; F73-N86 WeakPolarHBondContact CD2-O 3.45Å; F73-N86 WeakPolarHBondContact CD2-OD1 3.45Å; F73-N86 HydrophobicContact CE2-CB 4.36Å; F73-N86 PolarHBondContact O-ND2 3.06Å; V76-N86 HydrophobicContact CG1-CB 4Å; V76-N86 VanDerWaalsContact CG1-CG 3.48Å; V76-N86 WeakPolarHBondContact CG1-ND2 3.36Å; R77-N86 WeakPolarHBondContact CG-ND2 3.38Å; S83-N86 WeakPolarHBondContact O-CB 3.25Å; S83-N86 PolarHBondContact O-N 3.01Å; S83-N86 PolarHBondContact OG-N 3.48Å; N86-S89 PolarHBondContact O-N 2.9Å; N86-I90 PolarHBondContact O-N 3.29Å; N86-I90 VanDerWaalsContact O-N 3.09Å; N86-L136 HydrophobicContact CB-CD1 4.49Å; N86-L136 HydrophobicContact CB-CD2 4.46Å |
| 87 | I | 96.5 | Very high | 92.8 | Very high | 99 Ų | 99 | 58.4 Ų | 58.4 | 51% | 0.508 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.1 | -48.2 | 173.5 | -60.2 | 174.3 | 0 | 0 | 0 | 111 | F73 S83 K84 V85 S89 I90 V91 | F73-I87 HydrophobicContact CE2-CG1 4.21Å; S83-I87 PolarHBondContact O-N 3.39Å; K84-I87 PolarHBondContact O-N 3.06Å; V85-I87 VanDerWaalsContact C-N 3.3Å; V85-I87 PolarHBondContact O-N 2.9Å; I87-S89 PolarHBondContact O-N 3.13Å; I87-I90 WeakPolarHBondContact O-CG2 3.27Å; I87-I90 PolarHBondContact O-N 2.96Å; I87-V91 WeakPolarHBondContact O-CG2 3.36Å; I87-V91 PolarHBondContact O-N 2.86Å; I87-V91 VanDerWaalsContact O-N 3.16Å |
| 88 | A | 97.7 | Very high | 93.2 | Very high | 43 Ų | 43 | 57 Ų | 57 | 36% | 0.355 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58 | -40.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | K84 V85 V91 L92 L132 | K84-A88 WeakPolarHBondContact O-CB 3.36Å; K84-A88 PolarHBondContact O-N 3.41Å; V85-A88 PolarHBondContact O-N 3.31Å; A88-V91 PolarHBondContact O-N 3.34Å; A88-L92 WeakPolarHBondContact O-CG 3.32Å; A88-L92 PolarHBondContact O-N 3.3Å; A88-L132 HydrophobicContact CB-CD1 4.08Å |
| 89 | S | 97.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.007 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.4 | -47.8 | 179.4 | -168.5 | 0 | 0 | 0 | 0 | 112.5 | V85 N86 I87 V91 L92 G93 Y129 Q133 | V85-S89 WeakPolarHBondContact O-CB 3.49Å; V85-S89 PolarHBondContact O-N 2.8Å; N86-S89 PolarHBondContact O-N 2.9Å; I87-S89 PolarHBondContact O-N 3.13Å; S89-V91 VanDerWaalsContact C-N 3.29Å; S89-V91 PolarHBondContact O-N 2.98Å; S89-L92 PolarHBondContact O-N 3.35Å; S89-G93 PolarHBondContact O-N 3.47Å; S89-Y129 WeakPolarHBondContact O-CD2 3.26Å; S89-Y129 WeakPolarHBondContact OG-CD2 3.31Å; S89-Y129 VanDerWaalsContact OG-CE2 3.22Å; S89-Y129 WeakPolarHBondContact OG-CE2 3.48Å; S89-Q133 PolarHBondContact OG-NE2 2.94Å |
| 90 | I | 98 | Very high | 94.5 | Very high | 27 Ų | 27 | 49 Ų | 49 | 14% | 0.138 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.7 | -38 | 176.7 | -177.4 | 159.2 | 0 | 0 | 0 | 112.2 | V69 V70 F73 N86 I87 G93 F94 | V69-I90 HydrophobicContact CG1-CB 4.28Å; V69-I90 HydrophobicContact CG1-CG1 3.94Å; V70-I90 HydrophobicContact CG2-CD1 4.45Å; F73-I90 HydrophobicContact CB-CB 4.12Å; F73-I90 HydrophobicContact CB-CD1 3.73Å; F73-I90 HydrophobicContact CB-CG1 4.42Å; F73-I90 HydrophobicContact CD1-CD1 3.86Å; F73-I90 HydrophobicContact CD2-CB 3.74Å; F73-I90 HydrophobicContact CD2-CD1 4.18Å; F73-I90 HydrophobicContact CD2-CG2 3.51Å; F73-I90 HydrophobicContact CE2-CB 4.4Å; F73-I90 HydrophobicContact CE2-CG2 3.67Å; F73-I90 HydrophobicContact CG-CB 4.03Å; F73-I90 HydrophobicContact CG-CD1 3.65Å; F73-I90 HydrophobicContact CG-CG1 4.44Å; F73-I90 HydrophobicContact CG-CG2 4.14Å; F73-I90 HydrophobicContact CZ-CG2 4.38Å; N86-I90 PolarHBondContact O-N 3.29Å; N86-I90 VanDerWaalsContact O-N 3.09Å; I87-I90 WeakPolarHBondContact O-CG2 3.27Å; I87-I90 PolarHBondContact O-N 2.96Å; I90-G93 PolarHBondContact O-N 3.09Å; I90-F94 HydrophobicContact CD1-CE1 4.15Å; I90-F94 HydrophobicContact CD1-CE2 4.37Å; I90-F94 HydrophobicContact CD1-CZ 3.81Å; I90-F94 HydrophobicContact CG1-CD1 4.21Å; I90-F94 HydrophobicContact CG1-CE1 3.81Å; I90-F94 HydrophobicContact CG1-CE2 4.14Å; I90-F94 HydrophobicContact CG1-CZ 3.78Å; I90-F94 WeakPolarHBondContact O-CG 3.47Å; I90-F94 PolarHBondContact O-N 2.84Å |
| 91 | V | 98.6 | Very high | 95.3 | Very high | 74 Ų | 74 | 48.2 Ų | 48.2 | 45% | 0.448 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.5 | -49.5 | 176.2 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | I87 A88 S89 G93 F94 I95 | I87-V91 WeakPolarHBondContact O-CG2 3.36Å; I87-V91 PolarHBondContact O-N 2.86Å; I87-V91 VanDerWaalsContact O-N 3.16Å; A88-V91 PolarHBondContact O-N 3.34Å; S89-V91 VanDerWaalsContact C-N 3.29Å; S89-V91 PolarHBondContact O-N 2.98Å; V91-G93 VanDerWaalsContact C-N 3.31Å; V91-G93 PolarHBondContact O-N 3.36Å; V91-F94 PolarHBondContact O-N 3.36Å; V91-I95 HydrophobicContact CG1-CD1 3.84Å; V91-I95 VanDerWaalsContact O-CG1 3.32Å; V91-I95 WeakPolarHBondContact O-CG1 3.47Å; V91-I95 PolarHBondContact O-N 3.49Å |
| 92 | L | 98.7 | Very high | 96.3 | Very high | 45 Ų | 45 | 47.3 Ų | 47.3 | 24% | 0.236 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.9 | -39.9 | 176.7 | -64.6 | 176.4 | 0 | 0 | 0 | 111.6 | A88 S89 F94 I95 S96 V125 A128 L132 | A88-L92 WeakPolarHBondContact O-CG 3.32Å; A88-L92 PolarHBondContact O-N 3.3Å; S89-L92 PolarHBondContact O-N 3.35Å; L92-F94 PolarHBondContact O-N 2.87Å; L92-I95 PolarHBondContact O-N 3.35Å; L92-S96 WeakPolarHBondContact O-CB 3.09Å; L92-S96 PolarHBondContact O-N 3.4Å; L92-V125 HydrophobicContact CB-CG1 3.98Å; L92-V125 HydrophobicContact CD2-CG1 3.77Å; L92-V125 HydrophobicContact CG-CG1 4.44Å; L92-V125 WeakPolarHBondContact O-CG1 3.37Å; L92-A128 HydrophobicContact CD1-CB 4.04Å; L92-L132 HydrophobicContact CD1-CD1 3.66Å; L92-L132 HydrophobicContact CD1-CG 4.41Å |
| 93 | G | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.6 | -43.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S89 I90 V91 S96 C97 | S89-G93 PolarHBondContact O-N 3.47Å; I90-G93 PolarHBondContact O-N 3.09Å; V91-G93 VanDerWaalsContact C-N 3.31Å; V91-G93 PolarHBondContact O-N 3.36Å; G93-S96 PolarHBondContact O-N 3.31Å; G93-C97 PolarHBondContact O-N 3.32Å; G93-C97 PolarHBondContact O-SG 3.13Å |
| 94 | F | 98.8 | Very high | 97.7 | Very high | 81 Ų | 81 | 42.3 Ų | 42.3 | 36% | 0.355 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.8 | -44.4 | 176.4 | -74.8 | 3.6 | 0 | 0 | 0 | 112.4 | L66 V69 V70 I90 V91 L92 S96 C97 V98 | L66-F94 HydrophobicContact CD2-CE1 4.28Å; L66-F94 HydrophobicContact CG-CD1 4.17Å; L66-F94 HydrophobicContact CG-CE1 3.92Å; V69-F94 HydrophobicContact CG1-CD1 4.08Å; V69-F94 HydrophobicContact CG1-CE1 4.08Å; V70-F94 HydrophobicContact CG2-CE1 3.73Å; V70-F94 HydrophobicContact CG2-CZ 3.7Å; I90-F94 HydrophobicContact CD1-CE1 4.15Å; I90-F94 HydrophobicContact CD1-CE2 4.37Å; I90-F94 HydrophobicContact CD1-CZ 3.81Å; I90-F94 HydrophobicContact CG1-CD1 4.21Å; I90-F94 HydrophobicContact CG1-CE1 3.81Å; I90-F94 HydrophobicContact CG1-CE2 4.14Å; I90-F94 HydrophobicContact CG1-CZ 3.78Å; I90-F94 WeakPolarHBondContact O-CG 3.47Å; I90-F94 PolarHBondContact O-N 2.84Å; V91-F94 PolarHBondContact O-N 3.36Å; L92-F94 PolarHBondContact O-N 2.87Å; F94-S96 VanDerWaalsContact C-N 3.27Å; F94-S96 PolarHBondContact O-N 3.33Å; F94-C97 PolarHBondContact O-N 3.11Å; F94-V98 PolarHBondContact O-N 3.23Å |
| 95 | I | 98.8 | Very high | 97.9 | Very high | 65 Ų | 65 | 36.4 Ų | 36.4 | 33% | 0.333 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.7 | -41.6 | 175.6 | -67.4 | 168.1 | 0 | 0 | 0 | 110.5 | V91 L92 V98 G99 L121 V125 | V91-I95 HydrophobicContact CG1-CD1 3.84Å; V91-I95 VanDerWaalsContact O-CG1 3.32Å; V91-I95 WeakPolarHBondContact O-CG1 3.47Å; V91-I95 PolarHBondContact O-N 3.49Å; L92-I95 PolarHBondContact O-N 3.35Å; I95-V98 WeakPolarHBondContact O-CB 3.47Å; I95-V98 PolarHBondContact O-N 2.88Å; I95-G99 PolarHBondContact O-N 2.97Å; I95-L121 HydrophobicContact CG2-CB 4.47Å; I95-L121 HydrophobicContact CG2-CD1 4.45Å; I95-L121 HydrophobicContact CG2-CD2 3.68Å; I95-L121 HydrophobicContact CG2-CG 4.4Å; I95-V125 HydrophobicContact CB-CG1 4.04Å; I95-V125 HydrophobicContact CG2-CB 4.39Å; I95-V125 HydrophobicContact CG2-CG1 3.83Å; I95-V125 HydrophobicContact CG2-CG2 4.36Å |
| 96 | S | 98.8 | Very high | 98 | Very high | 9 Ų | 9 | 38.2 Ų | 38.2 | 6% | 0.063 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.4 | -40.1 | 176.5 | -177.4 | 0 | 0 | 0 | 0 | 112.4 | L92 G93 F94 V98 G99 I100 L121 A122 G126 | L92-S96 WeakPolarHBondContact O-CB 3.09Å; L92-S96 PolarHBondContact O-N 3.4Å; G93-S96 PolarHBondContact O-N 3.31Å; F94-S96 VanDerWaalsContact C-N 3.27Å; F94-S96 PolarHBondContact O-N 3.33Å; S96-V98 VanDerWaalsContact C-N 3.31Å; S96-V98 PolarHBondContact O-N 3Å; S96-G99 CarbonylContact O-C 3.58Å; S96-G99 WeakPolarHBondContact O-CA 3.39Å; S96-G99 PolarHBondContact O-N 3.24Å; S96-I100 WeakPolarHBondContact O-CG1 3.29Å; S96-I100 PolarHBondContact O-N 3.38Å; S96-L121 WeakPolarHBondContact CA-O 3.47Å; S96-A122 PolarHBondContact OG-O 3.13Å; S96-G126 VanDerWaalsContact OG-CA 3.26Å; S96-G126 WeakPolarHBondContact OG-CA 3.23Å |
| 97 | C | 98.8 | Very high | 98.1 | Very high | 9 Ų | 9 | 40.3 Ų | 40.3 | 6% | 0.061 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62 | -37.8 | 175 | -64.9 | 0 | 0 | 0 | 0 | 112.3 | L66 G93 F94 G99 I100 S101 | L66-C97 HydrophobicContact CB-CB 4.49Å; L66-C97 PolarHBondContact N-SG 3.07Å; L66-C97 VanDerWaalsContact N-SG 3.45Å; G93-C97 PolarHBondContact O-N 3.32Å; G93-C97 PolarHBondContact O-SG 3.13Å; F94-C97 PolarHBondContact O-N 3.11Å; C97-G99 VanDerWaalsContact C-N 3.31Å; C97-I100 PolarHBondContact O-N 2.92Å; C97-S101 PolarHBondContact O-N 3.44Å; C97-S101 VanDerWaalsContact O-N 3.09Å |
| 98 | V | 98.8 | Very high | 97.9 | Very high | 80 Ų | 80 | 37.4 Ų | 37.4 | 49% | 0.485 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.9 | -43.6 | 170.3 | 174.1 | 0 | 0 | 0 | 0 | 110.3 | F94 I95 S96 I100 S101 L102 | F94-V98 PolarHBondContact O-N 3.23Å; I95-V98 WeakPolarHBondContact O-CB 3.47Å; I95-V98 PolarHBondContact O-N 2.88Å; S96-V98 VanDerWaalsContact C-N 3.31Å; S96-V98 PolarHBondContact O-N 3Å; V98-I100 PolarHBondContact O-N 3.24Å; V98-S101 PolarHBondContact O-N 3.47Å; V98-L102 HydrophobicContact CG1-CD1 4.21Å; V98-L102 HydrophobicContact CG1-CG 4.31Å; V98-L102 WeakPolarHBondContact O-CG 3.35Å; V98-L102 PolarHBondContact O-N 3.48Å |
| 99 | G | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -54.8 | -46.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | I95 S96 C97 S101 L102 I103 G118 | I95-G99 PolarHBondContact O-N 2.97Å; S96-G99 CarbonylContact O-C 3.58Å; S96-G99 WeakPolarHBondContact O-CA 3.39Å; S96-G99 PolarHBondContact O-N 3.24Å; C97-G99 VanDerWaalsContact C-N 3.31Å; G99-S101 VanDerWaalsContact C-N 3.33Å; G99-S101 PolarHBondContact O-N 2.92Å; G99-L102 PolarHBondContact O-N 3.16Å; G99-I103 PolarHBondContact O-N 2.89Å; G99-G118 WeakPolarHBondContact CA-O 3.35Å |
| 100 | I | 98.6 | Very high | 97.6 | Very high | 28 Ų | 28 | 44 Ų | 44 | 14% | 0.144 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.2 | -42.7 | 176.8 | -61.5 | 170 | 0 | 0 | 0 | 111 | C58 C61 A62 S96 C97 V98 I103 G104 A122 | C58-I100 HydrophobicContact CB-CG2 4.2Å; C58-I100 VanDerWaalsContact O-CG2 3.27Å; C58-I100 WeakPolarHBondContact O-CG2 3.41Å; C61-I100 HydrophobicContact CB-CG2 4.44Å; A62-I100 HydrophobicContact CB-CB 4.11Å; A62-I100 HydrophobicContact CB-CG2 4.01Å; S96-I100 WeakPolarHBondContact O-CG1 3.29Å; S96-I100 PolarHBondContact O-N 3.38Å; C97-I100 PolarHBondContact O-N 2.92Å; V98-I100 PolarHBondContact O-N 3.24Å; I100-I103 WeakPolarHBondContact O-CG1 3.34Å; I100-G104 PolarHBondContact O-N 3.37Å; I100-A122 HydrophobicContact CG1-CB 4.21Å |
| 101 | S | 98.6 | Very high | 97.5 | Very high | 41 Ų | 41 | 45.5 Ų | 45.5 | 29% | 0.287 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 175.5 | -175.8 | 0 | 0 | 0 | 0 | 111.4 | N59 C97 V98 G99 I103 G104 N105 | N59-S101 PolarHBondContact OD1-OG 3.02Å; C97-S101 PolarHBondContact O-N 3.44Å; C97-S101 VanDerWaalsContact O-N 3.09Å; V98-S101 PolarHBondContact O-N 3.47Å; G99-S101 VanDerWaalsContact C-N 3.33Å; G99-S101 PolarHBondContact O-N 2.92Å; S101-I103 PolarHBondContact O-N 3.17Å; S101-G104 PolarHBondContact O-N 2.95Å; S101-N105 PolarHBondContact O-N 3.19Å; S101-N105 PolarHBondContact O-ND2 3.27Å; S101-N105 PolarHBondContact OG-ND2 3.48Å |
| 102 | L | 98.6 | Very high | 97.3 | Very high | 34 Ų | 34 | 46.1 Ų | 46.1 | 18% | 0.178 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.9 | -48 | 179.7 | -69.8 | 177.8 | 0 | 0 | 0 | 112.5 | V98 G99 G104 N105 F106 I114 L117 L121 | V98-L102 HydrophobicContact CG1-CD1 4.21Å; V98-L102 HydrophobicContact CG1-CG 4.31Å; V98-L102 WeakPolarHBondContact O-CG 3.35Å; V98-L102 PolarHBondContact O-N 3.48Å; G99-L102 PolarHBondContact O-N 3.16Å; L102-G104 PolarHBondContact O-N 3.44Å; L102-N105 PolarHBondContact O-N 3.46Å; L102-F106 HydrophobicContact CB-CD2 4.49Å; L102-F106 HydrophobicContact CD2-CD2 3.84Å; L102-F106 HydrophobicContact CD2-CE2 3.64Å; L102-F106 WeakPolarHBondContact O-CD2 3.43Å; L102-F106 PolarHBondContact O-N 3Å; L102-I114 HydrophobicContact CD2-CG2 4.02Å; L102-L117 HydrophobicContact CD1-CD2 4.49Å; L102-L117 HydrophobicContact CD1-CG 4.46Å; L102-L121 HydrophobicContact CD1-CD1 4.25Å |
| 103 | I | 97.6 | Very high | 97.3 | Very high | 21 Ų | 21 | 46.6 Ų | 46.6 | 11% | 0.108 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.9 | -32.1 | 179.8 | 61.3 | 175.9 | 0 | 0 | 0 | 112.6 | F54 G99 I100 S101 A119 A122 | F54-I103 WeakPolarHBondContact CE1-O 3.26Å; G99-I103 PolarHBondContact O-N 2.89Å; I100-I103 WeakPolarHBondContact O-CG1 3.34Å; S101-I103 PolarHBondContact O-N 3.17Å; I103-A119 HydrophobicContact CG2-CB 4.14Å; I103-A122 HydrophobicContact CD1-CB 4.21Å |
| 104 | G | 97 | Very high | 97.2 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -71.7 | -36.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A55 I100 S101 L102 | A55-G104 VanDerWaalsContact CA-O 3.25Å; A55-G104 WeakPolarHBondContact CA-O 3.34Å; A55-G104 WeakPolarHBondContact CB-O 3.34Å; I100-G104 PolarHBondContact O-N 3.37Å; S101-G104 PolarHBondContact O-N 2.95Å; L102-G104 PolarHBondContact O-N 3.44Å |
| 105 | N | 98.1 | Very high | 97.1 | Very high | 66 Ų | 66 | 46.2 Ų | 46.2 | 35% | 0.353 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -101 | -19.9 | -171.7 | -62 | -82.9 | 0 | 0 | 0 | 114 | N59 S101 L102 Q107 | N59-N105 PolarHBondContact ND2-ND2 2.99Å; N59-N105 PolarHBondContact ND2-OD1 2.86Å; N59-N105 VanDerWaalsContact ND2-OD1 3.13Å; N59-N105 PolarHBondContact OD1-ND2 3.42Å; S101-N105 PolarHBondContact O-N 3.19Å; S101-N105 PolarHBondContact O-ND2 3.27Å; S101-N105 PolarHBondContact OG-ND2 3.48Å; L102-N105 PolarHBondContact O-N 3.46Å; N105-Q107 PolarHBondContact O-OE1 3.13Å |
| 106 | F | 97.6 | Very high | 97.1 | Very high | 74 Ų | 74 | 47.9 Ų | 47.9 | 33% | 0.325 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -114 | 97.4 | 178.9 | -63.4 | -85.9 | 0 | 0 | 0 | 109.6 | L102 I114 H115 | L102-F106 HydrophobicContact CB-CD2 4.49Å; L102-F106 HydrophobicContact CD2-CD2 3.84Å; L102-F106 HydrophobicContact CD2-CE2 3.64Å; L102-F106 WeakPolarHBondContact O-CD2 3.43Å; L102-F106 PolarHBondContact O-N 3Å; F106-I114 HydrophobicContact CB-CB 4.16Å; F106-I114 HydrophobicContact CB-CG2 3.84Å; F106-I114 HydrophobicContact CD1-CB 4.22Å; F106-I114 HydrophobicContact CD1-CD1 3.99Å; F106-I114 HydrophobicContact CD1-CG2 3.91Å; F106-I114 HydrophobicContact CD2-CG2 3.51Å; F106-I114 HydrophobicContact CE1-CD1 3.9Å; F106-I114 HydrophobicContact CE1-CG2 4.35Å; F106-I114 HydrophobicContact CE2-CG2 4Å; F106-I114 HydrophobicContact CG-CB 4.07Å; F106-I114 HydrophobicContact CG-CG2 3.46Å; F106-I114 VanDerWaalsContact CG-CG2 3.46Å; F106-I114 HydrophobicContact CZ-CD1 4.45Å; F106-I114 HydrophobicContact CZ-CG2 4.39Å; F106-H115 WeakPolarHBondContact O-CB 3.32Å; F106-H115 PolarHBondContact O-ND1 2.75Å |
| 107 | Q | 95.4 | Very high | 97 | Very high | 46 Ų | 46 | 51.8 Ų | 51.8 | 22% | 0.215 | 30% | 0.297 | C | S | . | . | trans | -65.9 | 142.7 | 179.6 | -58.3 | 85.1 | -18.3 | 0 | 0 | 110.5 | S51 N105 S109 V110 V111 | S51-Q107 PolarHBondContact OG-NE2 3.47Å; N105-Q107 PolarHBondContact O-OE1 3.13Å; Q107-S109 PolarHBondContact O-N 2.85Å; Q107-V110 HydrophobicContact CB-CG2 4.21Å; Q107-V110 PolarHBondContact O-N 3.13Å; Q107-V110 VanDerWaalsContact O-N 3.14Å; Q107-V111 PolarHBondContact O-N 2.78Å | ||
| 108 | Q | 93.2 | Very high | 97 | Very high | 38 Ų | 38 | 51.3 Ų | 51.3 | 18% | 0.178 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -31.8 | 179.2 | 72.7 | 178.4 | -45.3 | 0 | 0 | 113.3 | S42 V110 M112 H115 | S42-Q108 PolarHBondContact OG-NE2 3.33Å; S42-Q108 VanDerWaalsContact OG-NE2 3.09Å; Q108-V110 VanDerWaalsContact C-N 3.33Å; Q108-M112 HydrophobicContact CB-CE 3.96Å; Q108-M112 HydrophobicContact CB-SD 4Å; Q108-M112 HydrophobicContact CG-CE 4.49Å; Q108-M112 WeakPolarHBondContact O-CA 3.39Å; Q108-M112 WeakPolarHBondContact O-CE 3.48Å; Q108-M112 PolarHBondContact O-N 2.86Å; Q108-H115 HydrophobicContact CB-CB 4.32Å |
| 109 | S | 92.8 | Very high | 97 | Very high | 76 Ų | 76 | 48.3 Ų | 48.3 | 53% | 0.531 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -18.8 | -177.9 | 59.5 | 0 | 0 | 0 | 0 | 113.5 | T46 Q107 | T46-S109 VanDerWaalsContact CG2-OG 3.23Å; T46-S109 WeakPolarHBondContact CG2-OG 3.42Å; Q107-S109 PolarHBondContact O-N 2.85Å |
| 110 | V | 95 | Very high | 97 | Very high | 106 Ų | 106 | 53.3 Ų | 53.3 | 64% | 0.642 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | -53.1 | -176.8 | -173.5 | 0 | 0 | 0 | 0 | 110.3 | Q107 Q108 | Q107-V110 HydrophobicContact CB-CG2 4.21Å; Q107-V110 PolarHBondContact O-N 3.13Å; Q107-V110 VanDerWaalsContact O-N 3.14Å; Q108-V110 VanDerWaalsContact C-N 3.33Å |
| 111 | V | 95.9 | Very high | 97 | Very high | 59 Ų | 59 | 53.3 Ų | 53.3 | 36% | 0.358 | 30% | 0.3 | S | S | . | . | trans | -136.5 | 72.8 | -177.9 | -164.1 | 0 | 0 | 0 | 0 | 110.7 | Q107 G113 I114 H115 | Q107-V111 PolarHBondContact O-N 2.78Å; V111-G113 VanDerWaalsContact C-N 3.25Å; V111-G113 PolarHBondContact O-N 2.97Å; V111-G113 VanDerWaalsContact O-N 3.14Å; V111-I114 HydrophobicContact CG1-CB 4.15Å; V111-I114 HydrophobicContact CG1-CD1 3.87Å; V111-I114 HydrophobicContact CG1-CG1 3.83Å; V111-I114 PolarHBondContact O-N 3.08Å; V111-H115 PolarHBondContact O-N 3.44Å; V111-H115 VanDerWaalsContact O-N 3.12Å | ||
| 112 | M | 95 | Very high | 96.9 | Very high | 88 Ų | 88 | 51.6 Ų | 51.6 | 43% | 0.433 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -48.9 | -42.3 | -177.5 | -176.5 | 63.4 | 77.5 | 0 | 0 | 113.6 | Q108 I114 H115 L116 | Q108-M112 HydrophobicContact CB-CE 3.96Å; Q108-M112 HydrophobicContact CB-SD 4Å; Q108-M112 HydrophobicContact CG-CE 4.49Å; Q108-M112 WeakPolarHBondContact O-CA 3.39Å; Q108-M112 WeakPolarHBondContact O-CE 3.48Å; Q108-M112 PolarHBondContact O-N 2.86Å; M112-I114 PolarHBondContact O-N 2.9Å; M112-H115 WeakPolarHBondContact O-CB 3.46Å; M112-H115 PolarHBondContact O-N 2.94Å; M112-L116 HydrophobicContact CG-CD1 3.9Å; M112-L116 HydrophobicContact CG-CG 4.18Å; M112-L116 WeakPolarHBondContact O-CG 3.32Å; M112-L116 PolarHBondContact O-N 3.46Å; M112-L116 HydrophobicContact SD-CD1 4.1Å; M112-L116 HydrophobicContact SD-CD2 4.27Å; M112-L116 HydrophobicContact SD-CG 3.92Å |
| 113 | G | 97.8 | Very high | 96.9 | Very high | 54 Ų | 54 | 50.7 Ų | 50.7 | 56% | 0.557 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -60.2 | -45.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | V111 L117 | V111-G113 VanDerWaalsContact C-N 3.25Å; V111-G113 PolarHBondContact O-N 2.97Å; V111-G113 VanDerWaalsContact O-N 3.14Å; G113-L117 PolarHBondContact O-N 2.91Å |
| 114 | I | 97.8 | Very high | 96.9 | Very high | 61 Ų | 61 | 54 Ų | 54 | 31% | 0.313 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -72 | -36.5 | 177.7 | -60 | 179.5 | 0 | 0 | 0 | 110.3 | L102 F106 V111 M112 L116 L117 G118 | L102-I114 HydrophobicContact CD2-CG2 4.02Å; F106-I114 HydrophobicContact CB-CB 4.16Å; F106-I114 HydrophobicContact CB-CG2 3.84Å; F106-I114 HydrophobicContact CD1-CB 4.22Å; F106-I114 HydrophobicContact CD1-CD1 3.99Å; F106-I114 HydrophobicContact CD1-CG2 3.91Å; F106-I114 HydrophobicContact CD2-CG2 3.51Å; F106-I114 HydrophobicContact CE1-CD1 3.9Å; F106-I114 HydrophobicContact CE1-CG2 4.35Å; F106-I114 HydrophobicContact CE2-CG2 4Å; F106-I114 HydrophobicContact CG-CB 4.07Å; F106-I114 HydrophobicContact CG-CG2 3.46Å; F106-I114 VanDerWaalsContact CG-CG2 3.46Å; F106-I114 HydrophobicContact CZ-CD1 4.45Å; F106-I114 HydrophobicContact CZ-CG2 4.39Å; V111-I114 HydrophobicContact CG1-CB 4.15Å; V111-I114 HydrophobicContact CG1-CD1 3.87Å; V111-I114 HydrophobicContact CG1-CG1 3.83Å; V111-I114 PolarHBondContact O-N 3.08Å; M112-I114 PolarHBondContact O-N 2.9Å; I114-L116 PolarHBondContact O-N 2.94Å; I114-L117 PolarHBondContact O-N 3.37Å; I114-G118 PolarHBondContact O-N 3.04Å |
| 115 | H | 97.2 | Very high | 97 | Very high | 13 Ų | 13 | 54.8 Ų | 54.8 | 6% | 0.06 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.6 | -48.3 | 174.9 | -172.1 | 82.4 | 0 | 0 | 0 | 111.7 | S42 F106 Q108 V111 M112 G118 A119 | S42-H115 VanDerWaalsContact CB-CE1 3.47Å; S42-H115 WeakPolarHBondContact CB-CE1 3.24Å; S42-H115 WeakPolarHBondContact CB-NE2 3.37Å; F106-H115 WeakPolarHBondContact O-CB 3.32Å; F106-H115 PolarHBondContact O-ND1 2.75Å; Q108-H115 HydrophobicContact CB-CB 4.32Å; V111-H115 PolarHBondContact O-N 3.44Å; V111-H115 VanDerWaalsContact O-N 3.12Å; M112-H115 WeakPolarHBondContact O-CB 3.46Å; M112-H115 PolarHBondContact O-N 2.94Å; H115-G118 PolarHBondContact O-N 3.37Å; H115-A119 PolarHBondContact O-N 3.18Å |
| 116 | L | 96.9 | Very high | 97 | Very high | 101 Ų | 101 | 51.7 Ų | 51.7 | 53% | 0.529 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.2 | -38 | 178.4 | -69.5 | 177.9 | 0 | 0 | 0 | 112.4 | M112 I114 G118 A119 F120 | M112-L116 HydrophobicContact CG-CD1 3.9Å; M112-L116 HydrophobicContact CG-CG 4.18Å; M112-L116 WeakPolarHBondContact O-CG 3.32Å; M112-L116 PolarHBondContact O-N 3.46Å; M112-L116 HydrophobicContact SD-CD1 4.1Å; M112-L116 HydrophobicContact SD-CD2 4.27Å; M112-L116 HydrophobicContact SD-CG 3.92Å; I114-L116 PolarHBondContact O-N 2.94Å; L116-G118 VanDerWaalsContact C-N 3.34Å; L116-A119 PolarHBondContact O-N 3.47Å; L116-F120 WeakPolarHBondContact O-CB 3.32Å; L116-F120 PolarHBondContact O-N 3.37Å |
| 117 | L | 98.4 | Very high | 97.1 | Very high | 90 Ų | 90 | 48.9 Ų | 48.9 | 47% | 0.471 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.1 | -48.1 | 170.6 | 176.5 | 62.3 | 0 | 0 | 0 | 110.5 | L102 G113 I114 A119 F120 L121 | L102-L117 HydrophobicContact CD1-CD2 4.49Å; L102-L117 HydrophobicContact CD1-CG 4.46Å; G113-L117 PolarHBondContact O-N 2.91Å; I114-L117 PolarHBondContact O-N 3.37Å; L117-A119 VanDerWaalsContact C-N 3.35Å; L117-A119 PolarHBondContact O-N 2.95Å; L117-F120 PolarHBondContact O-N 3.47Å; L117-L121 HydrophobicContact CD1-CD1 4.22Å; L117-L121 HydrophobicContact CD1-CG 4.2Å; L117-L121 HydrophobicContact CG-CD1 4.25Å; L117-L121 VanDerWaalsContact O-CG 3.29Å; L117-L121 WeakPolarHBondContact O-CG 3.43Å; L117-L121 PolarHBondContact O-N 3.32Å |
| 118 | G | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -55.8 | -47.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G99 I114 H115 L116 F120 L121 A122 | G99-G118 WeakPolarHBondContact CA-O 3.35Å; I114-G118 PolarHBondContact O-N 3.04Å; H115-G118 PolarHBondContact O-N 3.37Å; L116-G118 VanDerWaalsContact C-N 3.34Å; G118-F120 PolarHBondContact O-N 3.29Å; G118-L121 PolarHBondContact O-N 3.2Å; G118-A122 VanDerWaalsContact O-CB 3.3Å; G118-A122 WeakPolarHBondContact O-CB 3.15Å; G118-A122 PolarHBondContact O-N 2.92Å |
| 119 | A | 97.8 | Very high | 97.5 | Very high | 17 Ų | 17 | 46.9 Ų | 46.9 | 14% | 0.14 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.6 | -41 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I103 H115 L116 L117 A122 F123 | I103-A119 HydrophobicContact CG2-CB 4.14Å; H115-A119 PolarHBondContact O-N 3.18Å; L116-A119 PolarHBondContact O-N 3.47Å; L117-A119 VanDerWaalsContact C-N 3.35Å; L117-A119 PolarHBondContact O-N 2.95Å; A119-A122 PolarHBondContact O-N 3.04Å; A119-F123 HydrophobicContact CB-CD2 4.42Å; A119-F123 HydrophobicContact CB-CE2 4.35Å; A119-F123 WeakPolarHBondContact O-CB 3.45Å; A119-F123 WeakPolarHBondContact O-CG 3.46Å; A119-F123 PolarHBondContact O-N 3.45Å |
| 120 | F | 98.3 | Very high | 97.8 | Very high | 105 Ų | 105 | 43.4 Ų | 43.4 | 46% | 0.461 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.9 | -49.4 | 174.5 | 174.2 | -98.2 | 0 | 0 | 0 | 111.8 | L116 L117 G118 F124 V125 | L116-F120 WeakPolarHBondContact O-CB 3.32Å; L116-F120 PolarHBondContact O-N 3.37Å; L117-F120 PolarHBondContact O-N 3.47Å; G118-F120 PolarHBondContact O-N 3.29Å; F120-F124 HydrophobicContact CD2-CB 4.02Å; F120-F124 AromaticContact CD2-CD2 3.68Å; F120-F124 HydrophobicContact CD2-CD2 3.68Å; F120-F124 HydrophobicContact CD2-CE2 4.29Å; F120-F124 AromaticContact CD2-CG 3.89Å; F120-F124 HydrophobicContact CD2-CG 3.89Å; F120-F124 HydrophobicContact CE2-CB 3.9Å; F120-F124 HydrophobicContact CE2-CD2 4.26Å; F120-F124 AromaticContact CE2-CG 3.99Å; F120-F124 HydrophobicContact CE2-CG 3.99Å; F120-F124 HydrophobicContact CG-CD2 4.43Å; F120-F124 HydrophobicContact CZ-CB 4.48Å; F120-F124 WeakPolarHBondContact O-CB 3.28Å; F120-F124 PolarHBondContact O-N 2.81Å; F120-V125 HydrophobicContact CE1-CG2 4.23Å; F120-V125 PolarHBondContact O-N 3.44Å |
| 121 | L | 98.7 | Very high | 97.9 | Very high | 27 Ų | 27 | 43 Ų | 43 | 14% | 0.141 | 23% | 0.233 | C | C | . | . | I | π-helix | trans | -66.4 | -41 | 178.8 | -61.4 | -179.1 | 0 | 0 | 0 | 111.8 | I95 S96 L102 L117 G118 V125 G126 | I95-L121 HydrophobicContact CG2-CB 4.47Å; I95-L121 HydrophobicContact CG2-CD1 4.45Å; I95-L121 HydrophobicContact CG2-CD2 3.68Å; I95-L121 HydrophobicContact CG2-CG 4.4Å; S96-L121 WeakPolarHBondContact CA-O 3.47Å; L102-L121 HydrophobicContact CD1-CD1 4.25Å; L117-L121 HydrophobicContact CD1-CD1 4.22Å; L117-L121 HydrophobicContact CD1-CG 4.2Å; L117-L121 HydrophobicContact CG-CD1 4.25Å; L117-L121 VanDerWaalsContact O-CG 3.29Å; L117-L121 WeakPolarHBondContact O-CG 3.43Å; L117-L121 PolarHBondContact O-N 3.32Å; G118-L121 PolarHBondContact O-N 3.2Å; L121-V125 HydrophobicContact CD2-CG2 4.07Å; L121-V125 VanDerWaalsContact O-CB 3.3Å; L121-V125 WeakPolarHBondContact O-CB 3.44Å; L121-G126 PolarHBondContact O-N 3.43Å |
| 122 | A | 98.4 | Very high | 98 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 4% | 0.041 | 23% | 0.226 | C | C | . | . | I | π-helix | trans | -65.1 | -50.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111 | S96 I100 I103 G118 A119 G126 | S96-A122 PolarHBondContact OG-O 3.13Å; I100-A122 HydrophobicContact CG1-CB 4.21Å; I103-A122 HydrophobicContact CD1-CB 4.21Å; G118-A122 VanDerWaalsContact O-CB 3.3Å; G118-A122 WeakPolarHBondContact O-CB 3.15Å; G118-A122 PolarHBondContact O-N 2.92Å; A119-A122 PolarHBondContact O-N 3.04Å; A122-G126 WeakPolarHBondContact O-CA 3.4Å; A122-G126 PolarHBondContact O-N 3.01Å |
| 123 | F | 98 | Very high | 98 | Very high | 16 Ų | 16 | 38 Ų | 38 | 7% | 0.07 | 21% | 0.206 | C | C | . | . | I | π-helix | trans | -86.8 | -54.8 | -170.6 | -59.1 | -22.8 | 0 | 0 | 0 | 113.5 | A119 L127 M167 E183 L186 V187 F190 | A119-F123 HydrophobicContact CB-CD2 4.42Å; A119-F123 HydrophobicContact CB-CE2 4.35Å; A119-F123 WeakPolarHBondContact O-CB 3.45Å; A119-F123 WeakPolarHBondContact O-CG 3.46Å; A119-F123 PolarHBondContact O-N 3.45Å; F123-L127 WeakPolarHBondContact O-CB 3.44Å; F123-L127 PolarHBondContact O-N 2.99Å; F123-M167 HydrophobicContact CD2-CE 4.49Å; F123-E183 HydrophobicContact CE2-CG 4.28Å; F123-E183 HydrophobicContact CZ-CG 4.26Å; F123-L186 HydrophobicContact CB-CD2 4.13Å; F123-L186 HydrophobicContact CD1-CD2 4.19Å; F123-L186 HydrophobicContact CD2-CD2 4.12Å; F123-L186 HydrophobicContact CG-CD2 3.9Å; F123-V187 HydrophobicContact CE1-CG2 3.8Å; F123-V187 HydrophobicContact CZ-CG2 4.03Å; F123-F190 HydrophobicContact CD1-CE2 4.43Å; F123-F190 WeakPolarHBondContact O-CZ 3.43Å |
| 124 | F | 98.2 | Very high | 97.9 | Very high | 90 Ų | 90 | 36 Ų | 36 | 40% | 0.395 | 18% | 0.182 | S | C | . | . | I | π-helix | trans | -76.3 | -46.7 | -173.5 | -67.3 | -100.8 | 0 | 0 | 0 | 111.4 | F120 L127 A128 V164 | F120-F124 HydrophobicContact CD2-CB 4.02Å; F120-F124 AromaticContact CD2-CD2 3.68Å; F120-F124 HydrophobicContact CD2-CD2 3.68Å; F120-F124 HydrophobicContact CD2-CE2 4.29Å; F120-F124 AromaticContact CD2-CG 3.89Å; F120-F124 HydrophobicContact CD2-CG 3.89Å; F120-F124 HydrophobicContact CE2-CB 3.9Å; F120-F124 HydrophobicContact CE2-CD2 4.26Å; F120-F124 AromaticContact CE2-CG 3.99Å; F120-F124 HydrophobicContact CE2-CG 3.99Å; F120-F124 HydrophobicContact CG-CD2 4.43Å; F120-F124 HydrophobicContact CZ-CB 4.48Å; F120-F124 WeakPolarHBondContact O-CB 3.28Å; F120-F124 PolarHBondContact O-N 2.81Å; F124-L127 PolarHBondContact O-N 3.47Å; F124-A128 PolarHBondContact O-N 3.16Å; F124-V164 HydrophobicContact CD1-CG1 3.99Å; F124-V164 HydrophobicContact CE1-CG1 3.31Å; F124-V164 HydrophobicContact CE2-CG1 4.02Å; F124-V164 HydrophobicContact CZ-CG1 3.33Å |
| 125 | V | 98.7 | Very high | 97.7 | Very high | 19 Ų | 19 | 38.2 Ų | 38.2 | 12% | 0.115 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -69.7 | -36 | 177.1 | 179.7 | 0 | 0 | 0 | 0 | 110.8 | L92 I95 F120 L121 A128 Y129 | L92-V125 HydrophobicContact CB-CG1 3.98Å; L92-V125 HydrophobicContact CD2-CG1 3.77Å; L92-V125 HydrophobicContact CG-CG1 4.44Å; L92-V125 WeakPolarHBondContact O-CG1 3.37Å; I95-V125 HydrophobicContact CB-CG1 4.04Å; I95-V125 HydrophobicContact CG2-CB 4.39Å; I95-V125 HydrophobicContact CG2-CG1 3.83Å; I95-V125 HydrophobicContact CG2-CG2 4.36Å; F120-V125 HydrophobicContact CE1-CG2 4.23Å; F120-V125 PolarHBondContact O-N 3.44Å; L121-V125 HydrophobicContact CD2-CG2 4.07Å; L121-V125 VanDerWaalsContact O-CB 3.3Å; L121-V125 WeakPolarHBondContact O-CB 3.44Å; V125-A128 PolarHBondContact O-N 3.3Å; V125-Y129 PolarHBondContact O-N 3.06Å |
| 126 | G | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.3 | -42.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S96 L121 A122 Y129 F130 | S96-G126 VanDerWaalsContact OG-CA 3.26Å; S96-G126 WeakPolarHBondContact OG-CA 3.23Å; L121-G126 PolarHBondContact O-N 3.43Å; A122-G126 WeakPolarHBondContact O-CA 3.4Å; A122-G126 PolarHBondContact O-N 3.01Å; G126-Y129 VanDerWaalsContact O-CB 3.31Å; G126-Y129 WeakPolarHBondContact O-CB 3.37Å; G126-Y129 PolarHBondContact O-N 3.23Å; G126-F130 WeakPolarHBondContact O-CD2 3.48Å; G126-F130 PolarHBondContact O-N 3.26Å |
| 127 | L | 98.6 | Very high | 97.1 | Very high | 14 Ų | 14 | 33.8 Ų | 33.8 | 7% | 0.073 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.6 | -40.8 | 175 | -178.6 | 55.2 | 0 | 0 | 0 | 111.9 | F123 F124 Y129 F130 W131 C160 V164 F190 | F123-L127 WeakPolarHBondContact O-CB 3.44Å; F123-L127 PolarHBondContact O-N 2.99Å; F124-L127 PolarHBondContact O-N 3.47Å; L127-Y129 VanDerWaalsContact C-N 3.32Å; L127-Y129 PolarHBondContact O-N 3.23Å; L127-F130 PolarHBondContact O-N 2.93Å; L127-W131 PolarHBondContact O-N 3.35Å; L127-C160 HydrophobicContact CD1-CB 3.6Å; L127-C160 HydrophobicContact CD2-CB 4.41Å; L127-V164 HydrophobicContact CD2-CG2 4.38Å; L127-F190 HydrophobicContact CB-CE1 4.43Å; L127-F190 HydrophobicContact CB-CZ 4.03Å; L127-F190 HydrophobicContact CD1-CE1 4.44Å |
| 128 | A | 98.6 | Very high | 96.6 | Very high | 39 Ų | 39 | 36 Ų | 36 | 32% | 0.322 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -60.7 | -41.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L92 F124 V125 F130 W131 L132 | L92-A128 HydrophobicContact CD1-CB 4.04Å; F124-A128 PolarHBondContact O-N 3.16Å; V125-A128 PolarHBondContact O-N 3.3Å; A128-F130 PolarHBondContact O-N 2.75Å; A128-W131 PolarHBondContact O-N 2.79Å; A128-L132 WeakPolarHBondContact O-CG 3.25Å; A128-L132 PolarHBondContact O-N 3.26Å |
| 129 | Y | 98.6 | Very high | 95.9 | Very high | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -54.8 | -50.1 | 171.2 | 165.6 | -97 | 0 | 0 | 0 | 111.4 | V69 S89 V125 G126 L127 W131 L132 Q133 F197 | V69-Y129 HydrophobicContact CG1-CE2 4.17Å; V69-Y129 HydrophobicContact CG2-CE1 4.34Å; V69-Y129 HydrophobicContact CG2-CE2 3.96Å; S89-Y129 WeakPolarHBondContact O-CD2 3.26Å; S89-Y129 WeakPolarHBondContact OG-CD2 3.31Å; S89-Y129 VanDerWaalsContact OG-CE2 3.22Å; S89-Y129 WeakPolarHBondContact OG-CE2 3.48Å; V125-Y129 PolarHBondContact O-N 3.06Å; G126-Y129 VanDerWaalsContact O-CB 3.31Å; G126-Y129 WeakPolarHBondContact O-CB 3.37Å; G126-Y129 PolarHBondContact O-N 3.23Å; L127-Y129 VanDerWaalsContact C-N 3.32Å; L127-Y129 PolarHBondContact O-N 3.23Å; Y129-W131 PolarHBondContact O-N 3.33Å; Y129-L132 WeakPolarHBondContact O-CB 3.33Å; Y129-L132 PolarHBondContact O-N 3.09Å; Y129-L132 VanDerWaalsContact O-N 3.16Å; Y129-Q133 HydrophobicContact CD1-CG 4.25Å; Y129-Q133 HydrophobicContact CD2-CG 4.34Å; Y129-Q133 HydrophobicContact CE1-CG 3.76Å; Y129-Q133 HydrophobicContact CE2-CG 3.89Å; Y129-Q133 WeakPolarHBondContact O-CG 3.48Å; Y129-Q133 PolarHBondContact O-N 3.44Å; Y129-F197 HydrophobicContact CE1-CE2 4.36Å; Y129-F197 HydrophobicContact CE1-CZ 4.32Å |
| 130 | F | 98.4 | Very high | 94.6 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 1% | 0.013 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65 | -37 | -179 | -74.6 | -61.7 | 0 | 0 | 0 | 113.6 | G126 L127 A128 L132 Q133 V134 F190 L193 F194 F197 | G126-F130 WeakPolarHBondContact O-CD2 3.48Å; G126-F130 PolarHBondContact O-N 3.26Å; L127-F130 PolarHBondContact O-N 2.93Å; A128-F130 PolarHBondContact O-N 2.75Å; F130-L132 VanDerWaalsContact C-N 3.34Å; F130-L132 PolarHBondContact O-N 2.88Å; F130-Q133 CarbonylContact O-C 3.57Å; F130-Q133 WeakPolarHBondContact O-CA 3.42Å; F130-Q133 WeakPolarHBondContact O-CB 3.16Å; F130-Q133 PolarHBondContact O-N 3.17Å; F130-V134 WeakPolarHBondContact O-CG2 3.37Å; F130-V134 PolarHBondContact O-N 3.19Å; F130-F190 HydrophobicContact CD2-CD1 4.3Å; F130-F190 HydrophobicContact CD2-CE1 4.21Å; F130-F190 HydrophobicContact CD2-CZ 4.42Å; F130-F190 HydrophobicContact CE2-CB 4.41Å; F130-F190 HydrophobicContact CE2-CD1 4.09Å; F130-F190 HydrophobicContact CE2-CD2 4.14Å; F130-F190 HydrophobicContact CE2-CE1 4.37Å; F130-F190 HydrophobicContact CE2-CE2 4.42Å; F130-F190 AromaticContact CE2-CG 3.96Å; F130-F190 HydrophobicContact CE2-CG 3.96Å; F130-L193 HydrophobicContact CB-CD1 4.25Å; F130-L193 HydrophobicContact CD1-CB 3.82Å; F130-L193 HydrophobicContact CD1-CD1 4.2Å; F130-L193 HydrophobicContact CD1-CG 4.42Å; F130-L193 HydrophobicContact CD2-CD1 3.89Å; F130-L193 HydrophobicContact CE1-CB 3.5Å; F130-L193 VanDerWaalsContact CE1-CB 3.5Å; F130-L193 HydrophobicContact CE2-CB 4.23Å; F130-L193 HydrophobicContact CE2-CD1 4.23Å; F130-L193 HydrophobicContact CG-CB 4.32Å; F130-L193 HydrophobicContact CG-CD1 3.87Å; F130-L193 HydrophobicContact CZ-CB 3.71Å; F130-F194 HydrophobicContact CE1-CD1 4.44Å; F130-F194 HydrophobicContact CE1-CE1 4.49Å; F130-F194 HydrophobicContact CE1-CG 4.46Å; F130-F194 HydrophobicContact CE2-CD2 4.44Å; F130-F194 HydrophobicContact CE2-CE2 4.08Å; F130-F194 HydrophobicContact CE2-CZ 4.44Å; F130-F194 HydrophobicContact CZ-CD1 4.19Å; F130-F194 AromaticContact CZ-CD2 3.63Å; F130-F194 HydrophobicContact CZ-CD2 3.63Å; F130-F194 HydrophobicContact CZ-CE1 4.11Å; F130-F194 AromaticContact CZ-CE2 3.53Å; F130-F194 HydrophobicContact CZ-CE2 3.53Å; F130-F194 AromaticContact CZ-CG 3.95Å; F130-F194 HydrophobicContact CZ-CG 3.95Å; F130-F194 AromaticContact CZ-CZ 3.78Å; F130-F194 HydrophobicContact CZ-CZ 3.78Å; F130-F197 HydrophobicContact CE1-CE2 4.1Å |
| 131 | W | 98.4 | Very high | 92.9 | Very high | 97 Ų | 97 | 44.2 Ų | 44.2 | 37% | 0.367 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.1 | -40 | 172.1 | -84.4 | 113.9 | 0 | 0 | 0 | 112.5 | L127 A128 Y129 Q133 V134 W135 C157 T161 | L127-W131 PolarHBondContact O-N 3.35Å; A128-W131 PolarHBondContact O-N 2.79Å; Y129-W131 PolarHBondContact O-N 3.33Å; W131-Q133 VanDerWaalsContact C-N 3.27Å; W131-Q133 PolarHBondContact O-N 3.32Å; W131-V134 HydrophobicContact CE3-CB 4.42Å; W131-V134 HydrophobicContact CE3-CG2 4.48Å; W131-V134 WeakPolarHBondContact O-CB 3.32Å; W131-V134 PolarHBondContact O-N 3Å; W131-W135 PolarHBondContact O-N 3.26Å; W131-C157 HydrophobicContact CD2-CB 3.88Å; W131-C157 HydrophobicContact CE3-CB 4.18Å; W131-C157 HydrophobicContact CG-CB 4.46Å; W131-C157 HydrophobicContact CH2-CB 4.04Å; W131-C157 HydrophobicContact CZ2-CB 3.71Å; W131-C157 HydrophobicContact CZ3-CB 4.26Å; W131-T161 PolarHBondContact NE1-OG1 3.48Å |
| 132 | L | 97 | Very high | 90.6 | Very high | 41 Ų | 41 | 44.2 Ų | 44.2 | 22% | 0.215 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.2 | -34.6 | 171.7 | -65.3 | -170.7 | 0 | 0 | 0 | 111.8 | V85 A88 L92 A128 Y129 F130 W135 L136 | V85-L132 HydrophobicContact CG1-CB 4.3Å; V85-L132 HydrophobicContact CG1-CD1 4.22Å; V85-L132 HydrophobicContact CG1-CD2 3.82Å; V85-L132 HydrophobicContact CG1-CG 4.34Å; A88-L132 HydrophobicContact CB-CD1 4.08Å; L92-L132 HydrophobicContact CD1-CD1 3.66Å; L92-L132 HydrophobicContact CD1-CG 4.41Å; A128-L132 WeakPolarHBondContact O-CG 3.25Å; A128-L132 PolarHBondContact O-N 3.26Å; Y129-L132 WeakPolarHBondContact O-CB 3.33Å; Y129-L132 PolarHBondContact O-N 3.09Å; Y129-L132 VanDerWaalsContact O-N 3.16Å; F130-L132 VanDerWaalsContact C-N 3.34Å; F130-L132 PolarHBondContact O-N 2.88Å; L132-W135 PolarHBondContact O-N 3.41Å; L132-L136 WeakPolarHBondContact O-CB 3.12Å; L132-L136 VanDerWaalsContact O-CG 3.25Å; L132-L136 WeakPolarHBondContact O-CG 3.14Å; L132-L136 PolarHBondContact O-N 2.87Å |
| 133 | Q | 95.9 | Very high | 88.5 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.009 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68 | -35.1 | 175.5 | -67.1 | -64.1 | -29.9 | 0 | 0 | 112.7 | S89 Y129 F130 W131 C137 F197 | S89-Q133 PolarHBondContact OG-NE2 2.94Å; Y129-Q133 HydrophobicContact CD1-CG 4.25Å; Y129-Q133 HydrophobicContact CD2-CG 4.34Å; Y129-Q133 HydrophobicContact CE1-CG 3.76Å; Y129-Q133 HydrophobicContact CE2-CG 3.89Å; Y129-Q133 WeakPolarHBondContact O-CG 3.48Å; Y129-Q133 PolarHBondContact O-N 3.44Å; F130-Q133 CarbonylContact O-C 3.57Å; F130-Q133 WeakPolarHBondContact O-CA 3.42Å; F130-Q133 WeakPolarHBondContact O-CB 3.16Å; F130-Q133 PolarHBondContact O-N 3.17Å; W131-Q133 VanDerWaalsContact C-N 3.27Å; W131-Q133 PolarHBondContact O-N 3.32Å; Q133-C137 WeakPolarHBondContact O-CB 3.42Å; Q133-C137 PolarHBondContact O-N 3.41Å; Q133-F197 HydrophobicContact CB-CZ 4.35Å; Q133-F197 HydrophobicContact CG-CZ 3.97Å |
| 134 | V | 95 | Very high | 86.5 | Confident | 10 Ų | 10 | 56.2 Ų | 56.2 | 6% | 0.061 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.7 | -50.7 | 169.3 | 174.7 | 0 | 0 | 0 | 0 | 110 | F130 W131 L136 C137 Y138 R153 A154 C157 | F130-V134 WeakPolarHBondContact O-CG2 3.37Å; F130-V134 PolarHBondContact O-N 3.19Å; W131-V134 HydrophobicContact CE3-CB 4.42Å; W131-V134 HydrophobicContact CE3-CG2 4.48Å; W131-V134 WeakPolarHBondContact O-CB 3.32Å; W131-V134 PolarHBondContact O-N 3Å; V134-L136 PolarHBondContact O-N 3.42Å; V134-C137 VanDerWaalsContact O-CB 3.29Å; V134-C137 WeakPolarHBondContact O-CB 3.32Å; V134-C137 PolarHBondContact O-N 2.94Å; V134-C137 VanDerWaalsContact O-N 3.13Å; V134-Y138 HydrophobicContact CG1-CD2 3.92Å; V134-Y138 HydrophobicContact CG1-CE2 3.69Å; V134-Y138 VanDerWaalsContact O-CD2 3.25Å; V134-Y138 WeakPolarHBondContact O-CD2 3.4Å; V134-Y138 PolarHBondContact O-N 3.25Å; V134-R153 HydrophobicContact CG2-CB 3.8Å; V134-A154 HydrophobicContact CG1-CB 3.99Å; V134-C157 HydrophobicContact CG2-CB 4.37Å |
| 135 | W | 93.4 | Very high | 84.7 | Confident | 109 Ų | 109 | 58.7 Ų | 58.7 | 41% | 0.413 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 179.7 | -178.6 | 80.7 | 0 | 0 | 0 | 112.5 | V85 W131 L132 C137 Y138 K139 | V85-W135 HydrophobicContact CB-CE3 3.84Å; V85-W135 HydrophobicContact CB-CH2 3.74Å; V85-W135 HydrophobicContact CB-CZ3 3.19Å; V85-W135 HydrophobicContact CG1-CD2 4.3Å; V85-W135 HydrophobicContact CG1-CE3 3.31Å; V85-W135 HydrophobicContact CG1-CH2 4.14Å; V85-W135 HydrophobicContact CG1-CZ3 3.26Å; V85-W135 HydrophobicContact CG2-CE3 4.13Å; V85-W135 HydrophobicContact CG2-CH2 3.38Å; V85-W135 HydrophobicContact CG2-CZ2 4.22Å; V85-W135 HydrophobicContact CG2-CZ3 3.4Å; W131-W135 PolarHBondContact O-N 3.26Å; L132-W135 PolarHBondContact O-N 3.41Å; W135-C137 VanDerWaalsContact C-N 3.28Å; W135-C137 PolarHBondContact O-N 3.33Å; W135-Y138 PolarHBondContact O-N 3.18Å; W135-K139 HydrophobicContact CE3-CD 4.32Å; W135-K139 HydrophobicContact CH2-CD 3.38Å; W135-K139 HydrophobicContact CZ2-CD 3.6Å; W135-K139 HydrophobicContact CZ3-CD 3.7Å; W135-K139 VanDerWaalsContact O-CB 3.32Å; W135-K139 WeakPolarHBondContact O-CB 3.4Å; W135-K139 PolarHBondContact O-N 3.39Å |
| 136 | L | 91.9 | Very high | 83.5 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.9 | -34.5 | 175.7 | -71.4 | 171.2 | 0 | 0 | 0 | 111.8 | V76 V85 N86 L132 V134 Y138 K139 A140 | V76-L136 HydrophobicContact CG1-CD2 4.09Å; V76-L136 HydrophobicContact CG2-CD1 4.5Å; V85-L136 HydrophobicContact CG1-CD2 4.23Å; V85-L136 HydrophobicContact CG1-CG 4.3Å; N86-L136 HydrophobicContact CB-CD1 4.49Å; N86-L136 HydrophobicContact CB-CD2 4.46Å; L132-L136 WeakPolarHBondContact O-CB 3.12Å; L132-L136 VanDerWaalsContact O-CG 3.25Å; L132-L136 WeakPolarHBondContact O-CG 3.14Å; L132-L136 PolarHBondContact O-N 2.87Å; V134-L136 PolarHBondContact O-N 3.42Å; L136-Y138 VanDerWaalsContact C-N 3.35Å; L136-Y138 PolarHBondContact O-N 3.45Å; L136-K139 PolarHBondContact O-N 3.34Å; L136-A140 WeakPolarHBondContact O-CB 3.45Å; L136-A140 PolarHBondContact O-N 3.37Å |
| 137 | C | 89.4 | Confident | 82.6 | Confident | 19 Ų | 19 | 65.5 Ų | 65.5 | 13% | 0.128 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.1 | -39.1 | 177.3 | -170.2 | 0 | 0 | 0 | 0 | 112.5 | Q133 V134 W135 | Q133-C137 WeakPolarHBondContact O-CB 3.42Å; Q133-C137 PolarHBondContact O-N 3.41Å; V134-C137 VanDerWaalsContact O-CB 3.29Å; V134-C137 WeakPolarHBondContact O-CB 3.32Å; V134-C137 PolarHBondContact O-N 2.94Å; V134-C137 VanDerWaalsContact O-N 3.13Å; W135-C137 VanDerWaalsContact C-N 3.28Å; W135-C137 PolarHBondContact O-N 3.33Å |
| 138 | Y | 87.3 | Confident | 82 | Confident | 137 Ų | 137 | 73.8 Ų | 73.8 | 54% | 0.537 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -83.5 | -27.1 | 177.8 | -71.8 | -67.8 | 0 | 0 | 0 | 113.4 | V134 W135 L136 A140 P151 | V134-Y138 HydrophobicContact CG1-CD2 3.92Å; V134-Y138 HydrophobicContact CG1-CE2 3.69Å; V134-Y138 VanDerWaalsContact O-CD2 3.25Å; V134-Y138 WeakPolarHBondContact O-CD2 3.4Å; V134-Y138 PolarHBondContact O-N 3.25Å; W135-Y138 PolarHBondContact O-N 3.18Å; L136-Y138 VanDerWaalsContact C-N 3.35Å; L136-Y138 PolarHBondContact O-N 3.45Å; Y138-A140 CarbonylContact C-O 3.56Å; Y138-P151 WeakPolarHBondContact OH-CA 3.25Å; Y138-P151 VanDerWaalsContact OH-N 3.12Å |
| 139 | K | 84.8 | Confident | 81.7 | Confident | 92 Ų | 92 | 72.8 Ų | 72.8 | 40% | 0.4 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -84.7 | -45.7 | -178.3 | -178.5 | 175.8 | -179.4 | 175.4 | 0 | 113.3 | W135 L136 | W135-K139 HydrophobicContact CE3-CD 4.32Å; W135-K139 HydrophobicContact CH2-CD 3.38Å; W135-K139 HydrophobicContact CZ2-CD 3.6Å; W135-K139 HydrophobicContact CZ3-CD 3.7Å; W135-K139 VanDerWaalsContact O-CB 3.32Å; W135-K139 WeakPolarHBondContact O-CB 3.4Å; W135-K139 PolarHBondContact O-N 3.39Å; L136-K139 PolarHBondContact O-N 3.34Å |
| 140 | A | 70.3 | Confident | 81.3 | Confident | 5 Ų | 5 | 72.8 Ų | 72.8 | 4% | 0.041 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -58.4 | 146 | 164.7 | 0 | 0 | 0 | 0 | 0 | 105.4 | Y79 Q81 L136 Y138 P142 | Y79-A140 HydrophobicContact CD2-CB 4.47Å; Q81-A140 HydrophobicContact CG-CB 4.05Å; L136-A140 WeakPolarHBondContact O-CB 3.45Å; L136-A140 PolarHBondContact O-N 3.37Å; Y138-A140 CarbonylContact C-O 3.56Å; A140-P142 HydrophobicContact CB-CG 4.03Å; A140-P142 WeakPolarHBondContact O-CD 3.32Å |
| 141 | H | 62.3 | Low | 81.1 | Confident | 198 Ų | 198 | 75.4 Ų | 75.4 | 92% | 0.917 | 34% | 0.344 | S | S | * | . | trans | -91.4 | 54.8 | 171.3 | -102.3 | -84 | 0 | 0 | 0 | 111.1 | ||||
| 142 | P | 51.1 | Low | 80.9 | Confident | 27 Ų | 27 | 74.3 Ų | 74.3 | 18% | 0.175 | 35% | 0.345 | C | S | . | . | trans | -97.8 | 122.6 | -175.1 | 42.9 | -35.1 | 0 | 0 | 0 | 110.4 | Y79 A140 | Y79-P142 HydrophobicContact CD2-CB 3.98Å; Y79-P142 HydrophobicContact CD2-CG 4.49Å; Y79-P142 HydrophobicContact CE1-CB 4.39Å; Y79-P142 HydrophobicContact CE2-CB 3.56Å; Y79-P142 HydrophobicContact CE2-CG 4.22Å; A140-P142 HydrophobicContact CB-CG 4.03Å; A140-P142 WeakPolarHBondContact O-CD 3.32Å | ||
| 143 | L | 54.4 | Low | 80.9 | Confident | 59 Ų | 59 | 72.4 Ų | 72.4 | 31% | 0.309 | 34% | 0.335 | S | S | . | . | trans | 74.7 | 90.1 | 159.1 | -57.2 | 124.2 | 0 | 0 | 0 | 116.6 | D145 R146 | L143-D145 PolarHBondContact O-N 2.71Å; L143-R146 HydrophobicContact CB-CB 4.16Å; L143-R146 HydrophobicContact CB-CG 4.4Å; L143-R146 PolarHBondContact O-N 2.9Å | ||
| 144 | K | 54.6 | Low | 80.9 | Confident | 213 Ų | 213 | 73.4 Ų | 73.4 | 93% | 0.926 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.2 | -27.1 | 160.4 | -139.7 | 175 | -177 | -177.6 | 0 | 112.8 | ||
| 145 | D | 61.4 | Low | 81 | Confident | 143 Ų | 143 | 76.5 Ų | 76.5 | 77% | 0.765 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -3.7 | -179.1 | -69.4 | -12.8 | 0 | 0 | 0 | 115.6 | L143 | L143-D145 PolarHBondContact O-N 2.71Š|
| 146 | R | 73.3 | Confident | 81.3 | Confident | 47 Ų | 47 | 73.5 Ų | 73.5 | 18% | 0.177 | 35% | 0.352 | C | S | . | . | trans | -139.2 | 41.1 | -170.4 | -64.3 | -175.4 | -179.1 | 164.1 | -4.9 | 115.2 | L143 W148 V149 S199 H203 | L143-R146 HydrophobicContact CB-CB 4.16Å; L143-R146 HydrophobicContact CB-CG 4.4Å; L143-R146 PolarHBondContact O-N 2.9Å; R146-W148 PolarHBondContact O-N 3.02Å; R146-V149 HydrophobicContact CB-CG2 4.25Å; R146-V149 PolarHBondContact O-N 3.03Å; R146-S199 PolarHBondContact NH1-O 3.43Å; R146-S199 PolarHBondContact NH2-O 3.04Å; R146-H203 PolarHBondContact NH2-CD2 3.29Å; R146-H203 VanDerWaalsContact NH2-CD2 3.27Å; R146-H203 PolarHBondContact NH2-NE2 3.06Å | ||
| 147 | H | 79.4 | Confident | 81.6 | Confident | 116 Ų | 116 | 73.5 Ų | 73.5 | 54% | 0.537 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -18.9 | 178.3 | 63.9 | -88.1 | 0 | 0 | 0 | 114.4 | P151 | H147-P151 WeakPolarHBondContact O-CD 3.41Å; H147-P151 WeakPolarHBondContact O-CG 3.39Å |
| 148 | W | 87.2 | Confident | 82 | Confident | 188 Ų | 188 | 75.2 Ų | 75.2 | 71% | 0.712 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -26.1 | 178.9 | -54.8 | 111 | 0 | 0 | 0 | 114.9 | R146 P151 L152 | R146-W148 PolarHBondContact O-N 3.02Å; W148-P151 WeakPolarHBondContact O-CD 3.36Å; W148-L152 WeakPolarHBondContact O-CB 3.22Å; W148-L152 PolarHBondContact O-N 3.35Å; W148-L152 VanDerWaalsContact O-N 3.14Å |
| 149 | V | 90.6 | Very high | 82.6 | Confident | 18 Ų | 18 | 72.1 Ų | 72.1 | 11% | 0.109 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -69.2 | -41.9 | -173 | 177 | 0 | 0 | 0 | 0 | 111.7 | R146 L152 R153 E200 | R146-V149 HydrophobicContact CB-CG2 4.25Å; R146-V149 PolarHBondContact O-N 3.03Å; V149-L152 PolarHBondContact O-N 3.35Å; V149-R153 HydrophobicContact CG1-CG 4.46Å; V149-R153 WeakPolarHBondContact O-CG 3.37Å; V149-R153 PolarHBondContact O-N 2.9Å; V149-E200 HydrophobicContact CG1-CG 4.46Å |
| 150 | G | 91.6 | Very high | 83.2 | Confident | 4 Ų | 4 | 67.7 Ų | 67.7 | 4% | 0.041 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.3 | -56.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L152 R153 A154 | G150-L152 VanDerWaalsContact C-N 3.33Å; G150-L152 PolarHBondContact O-N 3.39Å; G150-R153 PolarHBondContact O-N 3.22Å; G150-A154 PolarHBondContact O-N 3.27Å |
| 151 | P | 93.7 | Very high | 84.6 | Confident | 58 Ų | 58 | 69.6 Ų | 69.6 | 38% | 0.377 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -55 | -45.8 | 175.3 | -27.8 | 35.2 | 0 | 0 | 0 | 112.7 | Y138 H147 W148 R153 A154 T155 | Y138-P151 WeakPolarHBondContact OH-CA 3.25Å; Y138-P151 VanDerWaalsContact OH-N 3.12Å; H147-P151 WeakPolarHBondContact O-CD 3.41Å; H147-P151 WeakPolarHBondContact O-CG 3.39Å; W148-P151 WeakPolarHBondContact O-CD 3.36Å; P151-R153 VanDerWaalsContact C-N 3.34Å; P151-R153 PolarHBondContact O-N 3.02Å; P151-A154 PolarHBondContact O-N 2.93Å; P151-A154 VanDerWaalsContact O-N 3.14Å; P151-T155 PolarHBondContact O-N 3.47Å; P151-T155 PolarHBondContact O-OG1 3.47Å; P151-T155 VanDerWaalsContact O-OG1 3.06Å |
| 152 | L | 95.3 | Very high | 86.3 | Confident | 73 Ų | 73 | 64.3 Ų | 64.3 | 38% | 0.382 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.7 | -42.3 | -179.6 | -167.6 | 58.3 | 0 | 0 | 0 | 111.8 | W148 V149 G150 T155 F156 L196 | W148-L152 WeakPolarHBondContact O-CB 3.22Å; W148-L152 PolarHBondContact O-N 3.35Å; W148-L152 VanDerWaalsContact O-N 3.14Å; V149-L152 PolarHBondContact O-N 3.35Å; G150-L152 VanDerWaalsContact C-N 3.33Å; G150-L152 PolarHBondContact O-N 3.39Å; L152-T155 PolarHBondContact O-N 3.42Å; L152-F156 HydrophobicContact CD1-CD2 3.92Å; L152-F156 HydrophobicContact CD1-CE2 3.64Å; L152-F156 HydrophobicContact CG-CD2 4.08Å; L152-F156 HydrophobicContact CG-CE2 4.09Å; L152-F156 WeakPolarHBondContact O-CD2 3.43Å; L152-F156 PolarHBondContact O-N 2.91Å; L152-L196 HydrophobicContact CB-CD1 4.38Å; L152-L196 HydrophobicContact CD2-CD1 4.24Å; L152-L196 HydrophobicContact CD2-CD2 3.53Å; L152-L196 HydrophobicContact CG-CD1 4.06Å; L152-L196 HydrophobicContact CG-CD2 4.27Å |
| 153 | R | 95.3 | Very high | 88.5 | Confident | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.008 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 172.8 | -75.7 | -177.3 | 163.1 | 150.6 | 4.7 | 112.5 | V134 V149 G150 P151 T155 F156 C157 L193 L196 E200 | V134-R153 HydrophobicContact CG2-CB 3.8Å; V149-R153 HydrophobicContact CG1-CG 4.46Å; V149-R153 WeakPolarHBondContact O-CG 3.37Å; V149-R153 PolarHBondContact O-N 2.9Å; G150-R153 PolarHBondContact O-N 3.22Å; P151-R153 VanDerWaalsContact C-N 3.34Å; P151-R153 PolarHBondContact O-N 3.02Å; R153-T155 VanDerWaalsContact C-N 3.31Å; R153-T155 PolarHBondContact O-N 3.32Å; R153-F156 PolarHBondContact O-N 3.26Å; R153-C157 WeakPolarHBondContact O-CB 3.43Å; R153-C157 PolarHBondContact O-N 3.19Å; R153-C157 PolarHBondContact O-SG 2.92Å; R153-L193 HydrophobicContact CB-CD2 4.34Å; R153-L193 HydrophobicContact CG-CD2 4.3Å; R153-L196 HydrophobicContact CG-CD1 3.63Å; R153-E200 IonicContact CZ-OE1 3.09Å; R153-E200 IonicContact CZ-OE2 2.81Å; R153-E200 IonicContact NH1-OE1 3.36Å; R153-E200 PolarHBondContact NH1-OE1 2.87Å; R153-E200 IonicContact NH1-OE2 3.91Å; R153-E200 PolarHBondContact NH1-OE2 2.93Å; R153-E200 IonicContact NH2-OE2 3.61Å; R153-E200 PolarHBondContact NH2-OE2 2.88Å |
| 154 | A | 96.9 | Very high | 90.6 | Very high | 22 Ų | 22 | 61.8 Ų | 61.8 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63 | -39.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V134 G150 P151 S158 | V134-A154 HydrophobicContact CG1-CB 3.99Å; G150-A154 PolarHBondContact O-N 3.27Å; P151-A154 PolarHBondContact O-N 2.93Å; P151-A154 VanDerWaalsContact O-N 3.14Å; A154-S158 WeakPolarHBondContact O-CB 3.14Å; A154-S158 PolarHBondContact O-N 3.35Å; A154-S158 PolarHBondContact O-OG 3.49Å |
| 155 | T | 97.9 | Very high | 92.6 | Very high | 76 Ų | 76 | 56.2 Ų | 56.2 | 47% | 0.466 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.7 | -53.1 | 174.2 | -60.7 | 0 | 0 | 0 | 0 | 110.9 | P151 L152 R153 C157 S158 I159 | P151-T155 PolarHBondContact O-N 3.47Å; P151-T155 PolarHBondContact O-OG1 3.47Å; P151-T155 VanDerWaalsContact O-OG1 3.06Å; L152-T155 PolarHBondContact O-N 3.42Å; R153-T155 VanDerWaalsContact C-N 3.31Å; R153-T155 PolarHBondContact O-N 3.32Å; T155-C157 PolarHBondContact O-N 2.85Å; T155-S158 WeakPolarHBondContact O-CB 3.46Å; T155-S158 PolarHBondContact O-N 3.2Å; T155-I159 HydrophobicContact CG2-CD1 3.93Å; T155-I159 WeakPolarHBondContact O-CG1 3.2Å; T155-I159 PolarHBondContact O-N 3.38Å |
| 156 | F | 98.3 | Very high | 94.4 | Very high | 46 Ų | 46 | 51.8 Ų | 51.8 | 20% | 0.202 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.3 | -36.2 | 179.4 | -84.8 | -77.3 | 0 | 0 | 0 | 112.8 | L152 R153 I159 C160 V192 L193 | L152-F156 HydrophobicContact CD1-CD2 3.92Å; L152-F156 HydrophobicContact CD1-CE2 3.64Å; L152-F156 HydrophobicContact CG-CD2 4.08Å; L152-F156 HydrophobicContact CG-CE2 4.09Å; L152-F156 WeakPolarHBondContact O-CD2 3.43Å; L152-F156 PolarHBondContact O-N 2.91Å; R153-F156 PolarHBondContact O-N 3.26Å; F156-I159 PolarHBondContact O-N 2.9Å; F156-C160 WeakPolarHBondContact O-CB 3.37Å; F156-C160 PolarHBondContact O-N 3.04Å; F156-C160 PolarHBondContact O-SG 3.26Å; F156-V192 HydrophobicContact CD1-CB 4.5Å; F156-V192 HydrophobicContact CD1-CG1 4.4Å; F156-V192 HydrophobicContact CD2-CG1 3.97Å; F156-V192 HydrophobicContact CE1-CB 4.21Å; F156-V192 HydrophobicContact CE1-CG1 4.05Å; F156-V192 HydrophobicContact CE1-CG2 4.37Å; F156-V192 HydrophobicContact CE2-CG1 3.59Å; F156-V192 HydrophobicContact CG-CG1 4.37Å; F156-V192 HydrophobicContact CZ-CB 4.27Å; F156-V192 HydrophobicContact CZ-CG1 3.65Å; F156-V192 HydrophobicContact CZ-CG2 4.4Å; F156-L193 HydrophobicContact CB-CD1 4.24Å; F156-L193 HydrophobicContact CB-CD2 3.61Å; F156-L193 HydrophobicContact CB-CG 3.8Å |
| 157 | C | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 174 | -68 | 0 | 0 | 0 | 0 | 111.8 | W131 V134 R153 T155 C160 T161 | W131-C157 HydrophobicContact CD2-CB 3.88Å; W131-C157 HydrophobicContact CE3-CB 4.18Å; W131-C157 HydrophobicContact CG-CB 4.46Å; W131-C157 HydrophobicContact CH2-CB 4.04Å; W131-C157 HydrophobicContact CZ2-CB 3.71Å; W131-C157 HydrophobicContact CZ3-CB 4.26Å; V134-C157 HydrophobicContact CG2-CB 4.37Å; R153-C157 WeakPolarHBondContact O-CB 3.43Å; R153-C157 PolarHBondContact O-N 3.19Å; R153-C157 PolarHBondContact O-SG 2.92Å; T155-C157 PolarHBondContact O-N 2.85Å; C157-C160 PolarHBondContact O-N 3.28Å; C157-T161 PolarHBondContact O-N 2.93Å; C157-T161 PolarHBondContact O-OG1 3.31Å |
| 158 | S | 98.5 | Very high | 96.2 | Very high | 56 Ų | 56 | 47.2 Ų | 47.2 | 39% | 0.392 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 174.5 | -58.2 | 0 | 0 | 0 | 0 | 111.6 | A154 T155 C160 T161 V162 | A154-S158 WeakPolarHBondContact O-CB 3.14Å; A154-S158 PolarHBondContact O-N 3.35Å; A154-S158 PolarHBondContact O-OG 3.49Å; T155-S158 WeakPolarHBondContact O-CB 3.46Å; T155-S158 PolarHBondContact O-N 3.2Å; S158-C160 PolarHBondContact O-N 2.8Å; S158-T161 PolarHBondContact O-N 3.49Å; S158-V162 WeakPolarHBondContact O-CG2 3.01Å; S158-V162 PolarHBondContact O-N 2.99Å |
| 159 | I | 98.6 | Very high | 96.7 | Very high | 71 Ų | 71 | 42.7 Ų | 42.7 | 36% | 0.364 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -58 | -49.2 | 174.9 | -69.9 | 167.2 | 0 | 0 | 0 | 110.1 | T155 F156 T161 V162 L163 | T155-I159 HydrophobicContact CG2-CD1 3.93Å; T155-I159 WeakPolarHBondContact O-CG1 3.2Å; T155-I159 PolarHBondContact O-N 3.38Å; F156-I159 PolarHBondContact O-N 2.9Å; I159-T161 VanDerWaalsContact C-N 3.34Å; I159-T161 PolarHBondContact O-N 2.81Å; I159-V162 PolarHBondContact O-N 3.32Å; I159-L163 HydrophobicContact CG2-CD1 3.6Å; I159-L163 HydrophobicContact CG2-CG 4.11Å; I159-L163 WeakPolarHBondContact O-CB 3.46Å; I159-L163 VanDerWaalsContact O-CG 3.25Å; I159-L163 WeakPolarHBondContact O-CG 3.43Å; I159-L163 PolarHBondContact O-N 3.03Å |
| 160 | C | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.8 | -41.8 | 177.4 | -69.2 | 0 | 0 | 0 | 0 | 112.8 | L127 F156 C157 S158 L163 V164 L186 S189 F190 | L127-C160 HydrophobicContact CD1-CB 3.6Å; L127-C160 HydrophobicContact CD2-CB 4.41Å; F156-C160 WeakPolarHBondContact O-CB 3.37Å; F156-C160 PolarHBondContact O-N 3.04Å; F156-C160 PolarHBondContact O-SG 3.26Å; C157-C160 PolarHBondContact O-N 3.28Å; S158-C160 PolarHBondContact O-N 2.8Å; C160-L163 PolarHBondContact O-N 2.97Å; C160-V164 WeakPolarHBondContact O-CG2 3.4Å; C160-V164 PolarHBondContact O-N 3.07Å; C160-L186 HydrophobicContact CB-CD1 3.55Å; C160-S189 WeakPolarHBondContact SG-CB 3.4Å; C160-F190 HydrophobicContact CB-CE1 4.04Å |
| 161 | T | 98.6 | Very high | 97.2 | Very high | 44 Ų | 44 | 48.3 Ų | 48.3 | 27% | 0.27 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.7 | -47.4 | 175.5 | -67.4 | 0 | 0 | 0 | 0 | 111.3 | W131 C157 S158 I159 I165 | W131-T161 PolarHBondContact NE1-OG1 3.48Å; C157-T161 PolarHBondContact O-N 2.93Å; C157-T161 PolarHBondContact O-OG1 3.31Å; S158-T161 PolarHBondContact O-N 3.49Å; I159-T161 VanDerWaalsContact C-N 3.34Å; I159-T161 PolarHBondContact O-N 2.81Å; T161-I165 HydrophobicContact CG2-CD1 3.94Å; T161-I165 VanDerWaalsContact O-CG1 3.3Å; T161-I165 WeakPolarHBondContact O-CG1 3.3Å; T161-I165 PolarHBondContact O-N 3.21Å |
| 162 | V | 98.5 | Very high | 97.2 | Very high | 88 Ų | 88 | 51.9 Ų | 51.9 | 53% | 0.533 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.9 | -48.1 | 176.5 | 174.5 | 0 | 0 | 0 | 0 | 110.4 | S158 I159 V164 I165 T166 | S158-V162 WeakPolarHBondContact O-CG2 3.01Å; S158-V162 PolarHBondContact O-N 2.99Å; I159-V162 PolarHBondContact O-N 3.32Å; V162-V164 PolarHBondContact O-N 3.45Å; V162-I165 PolarHBondContact O-N 3.34Å; V162-T166 WeakPolarHBondContact O-CB 3.32Å; V162-T166 PolarHBondContact O-N 3.17Å; V162-T166 PolarHBondContact O-OG1 3.12Å |
| 163 | L | 98.5 | Very high | 97.2 | Very high | 28 Ų | 28 | 52.4 Ų | 52.4 | 15% | 0.147 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.4 | -43.3 | -179 | -70.9 | 172.2 | 0 | 0 | 0 | 112.7 | I159 C160 T166 M167 C182 A185 L186 | I159-L163 HydrophobicContact CG2-CD1 3.6Å; I159-L163 HydrophobicContact CG2-CG 4.11Å; I159-L163 WeakPolarHBondContact O-CB 3.46Å; I159-L163 VanDerWaalsContact O-CG 3.25Å; I159-L163 WeakPolarHBondContact O-CG 3.43Å; I159-L163 PolarHBondContact O-N 3.03Å; C160-L163 PolarHBondContact O-N 2.97Å; L163-T166 PolarHBondContact O-N 2.81Å; L163-M167 WeakPolarHBondContact O-CB 3.4Å; L163-M167 PolarHBondContact O-N 3.33Å; L163-C182 HydrophobicContact CD2-CB 4.28Å; L163-A185 HydrophobicContact CD1-CB 3.71Å; L163-A185 HydrophobicContact CD2-CB 4Å; L163-L186 HydrophobicContact CB-CB 4.33Å; L163-L186 HydrophobicContact CD1-CB 4.38Å |
| 164 | V | 97.3 | Very high | 97.2 | Very high | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.024 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 177.3 | 167.5 | 0 | 0 | 0 | 0 | 111.3 | F124 L127 C160 V162 A168 L186 | F124-V164 HydrophobicContact CD1-CG1 3.99Å; F124-V164 HydrophobicContact CE1-CG1 3.31Å; F124-V164 HydrophobicContact CE2-CG1 4.02Å; F124-V164 HydrophobicContact CZ-CG1 3.33Å; L127-V164 HydrophobicContact CD2-CG2 4.38Å; C160-V164 WeakPolarHBondContact O-CG2 3.4Å; C160-V164 PolarHBondContact O-N 3.07Å; V162-V164 PolarHBondContact O-N 3.45Å; V164-A168 PolarHBondContact O-N 2.89Å; V164-A168 VanDerWaalsContact O-N 3.11Å; V164-L186 HydrophobicContact CG2-CD1 3.71Å; V164-L186 HydrophobicContact CG2-CD2 3.35Å; V164-L186 HydrophobicContact CG2-CG 4.16Å |
| 165 | I | 97.4 | Very high | 97.1 | Very high | 96 Ų | 96 | 61.4 Ų | 61.4 | 49% | 0.492 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.1 | -48.5 | 178.7 | -66.9 | 168.1 | 0 | 0 | 0 | 110.1 | T161 V162 M167 A168 I169 | T161-I165 HydrophobicContact CG2-CD1 3.94Å; T161-I165 VanDerWaalsContact O-CG1 3.3Å; T161-I165 WeakPolarHBondContact O-CG1 3.3Å; T161-I165 PolarHBondContact O-N 3.21Å; V162-I165 PolarHBondContact O-N 3.34Å; I165-M167 PolarHBondContact O-N 3.25Å; I165-A168 PolarHBondContact O-N 3.38Å; I165-I169 HydrophobicContact CG2-CD1 3.83Å; I165-I169 WeakPolarHBondContact O-CG1 3.3Å; I165-I169 PolarHBondContact O-N 3.4Å |
| 166 | T | 97.9 | Very high | 97 | Very high | 50 Ų | 50 | 62.5 Ų | 62.5 | 31% | 0.307 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.5 | -43 | 178.4 | -60 | 0 | 0 | 0 | 0 | 111.3 | V162 L163 A168 I169 L170 | V162-T166 WeakPolarHBondContact O-CB 3.32Å; V162-T166 PolarHBondContact O-N 3.17Å; V162-T166 PolarHBondContact O-OG1 3.12Å; L163-T166 PolarHBondContact O-N 2.81Å; T166-A168 VanDerWaalsContact C-N 3.35Å; T166-A168 PolarHBondContact O-N 3.42Å; T166-I169 PolarHBondContact O-N 2.93Å; T166-L170 HydrophobicContact CG2-CD1 3.63Å; T166-L170 HydrophobicContact CG2-CG 4.02Å; T166-L170 WeakPolarHBondContact O-CB 3.48Å; T166-L170 VanDerWaalsContact O-CG 3.26Å; T166-L170 WeakPolarHBondContact O-CG 3.47Å; T166-L170 PolarHBondContact O-N 2.87Å |
| 167 | M | 96.6 | Very high | 96.9 | Very high | 27 Ų | 27 | 62.3 Ų | 62.3 | 13% | 0.133 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -55.6 | -48.8 | 174.7 | -179.7 | -174.1 | 71.5 | 0 | 0 | 111.4 | F123 L163 I165 I169 L170 H171 A179 C182 E183 | F123-M167 HydrophobicContact CD2-CE 4.49Å; L163-M167 WeakPolarHBondContact O-CB 3.4Å; L163-M167 PolarHBondContact O-N 3.33Å; I165-M167 PolarHBondContact O-N 3.25Å; M167-I169 PolarHBondContact O-N 3.37Å; M167-L170 PolarHBondContact O-N 3.02Å; M167-H171 VanDerWaalsContact O-CB 3.26Å; M167-H171 WeakPolarHBondContact O-CB 3.45Å; M167-H171 PolarHBondContact O-N 2.96Å; M167-A179 HydrophobicContact CG-CB 4.24Å; M167-C182 HydrophobicContact CB-CB 3.7Å; M167-C182 HydrophobicContact CG-CB 4.37Å; M167-E183 HydrophobicContact SD-CB 3.84Å; M167-E183 HydrophobicContact SD-CG 4.34Å |
| 168 | A | 94.8 | Very high | 96.9 | Very high | 40 Ų | 40 | 63.4 Ų | 63.4 | 33% | 0.331 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V164 I165 T166 N172 | V164-A168 PolarHBondContact O-N 2.89Å; V164-A168 VanDerWaalsContact O-N 3.11Å; I165-A168 PolarHBondContact O-N 3.38Å; T166-A168 VanDerWaalsContact C-N 3.35Å; T166-A168 PolarHBondContact O-N 3.42Å; A168-N172 WeakPolarHBondContact O-CB 3.36Å; A168-N172 VanDerWaalsContact O-CG 3.27Å; A168-N172 PolarHBondContact O-N 2.8Å; A168-N172 VanDerWaalsContact O-N 3.09Å; A168-N172 PolarHBondContact O-ND2 3.29Å |
| 169 | I | 97.6 | Very high | 96.9 | Very high | 94 Ų | 94 | 60.8 Ų | 60.8 | 48% | 0.482 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.6 | -50.7 | 176.6 | -66.4 | 167.5 | 0 | 0 | 0 | 110.6 | I165 T166 M167 H171 N172 T173 | I165-I169 HydrophobicContact CG2-CD1 3.83Å; I165-I169 WeakPolarHBondContact O-CG1 3.3Å; I165-I169 PolarHBondContact O-N 3.4Å; T166-I169 PolarHBondContact O-N 2.93Å; M167-I169 PolarHBondContact O-N 3.37Å; I169-H171 VanDerWaalsContact C-N 3.33Å; I169-H171 PolarHBondContact O-N 3.28Å; I169-N172 PolarHBondContact O-N 2.78Å; I169-T173 HydrophobicContact CG2-CG2 4.44Å; I169-T173 WeakPolarHBondContact O-CB 3.46Å; I169-T173 WeakPolarHBondContact O-CG2 3.28Å; I169-T173 PolarHBondContact O-N 3.49Å; I169-T173 PolarHBondContact O-OG1 3.2Å |
| 170 | L | 97.8 | Very high | 96.8 | Very high | 41 Ų | 41 | 57.4 Ų | 57.4 | 22% | 0.215 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.9 | -38 | -178.2 | -70.1 | 177.5 | 0 | 0 | 0 | 111.9 | T166 M167 T173 G174 Y175 G178 A179 | T166-L170 HydrophobicContact CG2-CD1 3.63Å; T166-L170 HydrophobicContact CG2-CG 4.02Å; T166-L170 WeakPolarHBondContact O-CB 3.48Å; T166-L170 VanDerWaalsContact O-CG 3.26Å; T166-L170 WeakPolarHBondContact O-CG 3.47Å; T166-L170 PolarHBondContact O-N 2.87Å; M167-L170 PolarHBondContact O-N 3.02Å; L170-T173 WeakPolarHBondContact CA-OG1 3.45Å; L170-T173 PolarHBondContact O-N 3.43Å; L170-T173 PolarHBondContact O-OG1 3.34Å; L170-G174 PolarHBondContact O-N 3Å; L170-Y175 HydrophobicContact CD2-CD2 4.33Å; L170-Y175 HydrophobicContact CD2-CG 4.25Å; L170-Y175 PolarHBondContact O-N 3.01Å; L170-G178 VanDerWaalsContact CD1-C 3.47Å; L170-A179 HydrophobicContact CB-CB 3.83Å |
| 171 | H | 94 | Very high | 96.8 | Very high | 99 Ų | 99 | 62 Ų | 62 | 46% | 0.458 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.2 | -49.4 | 175.4 | -174.4 | 89.1 | 0 | 0 | 0 | 111.1 | Y40 M167 I169 T173 G174 A179 | Y40-H171 AromaticContact CZ-ND1 3.81Å; Y40-H171 PolarHBondContact OH-ND1 3.47Å; M167-H171 VanDerWaalsContact O-CB 3.26Å; M167-H171 WeakPolarHBondContact O-CB 3.45Å; M167-H171 PolarHBondContact O-N 2.96Å; I169-H171 VanDerWaalsContact C-N 3.33Å; I169-H171 PolarHBondContact O-N 3.28Å; H171-T173 VanDerWaalsContact C-N 3.27Å; H171-T173 PolarHBondContact O-N 2.85Å; H171-G174 PolarHBondContact O-N 3.46Å; H171-A179 HydrophobicContact CB-CB 4.1Å |
| 172 | N | 94.4 | Very high | 96.8 | Very high | 133 Ų | 133 | 60.4 Ų | 60.4 | 71% | 0.711 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -70.4 | -22.5 | -178 | -70.4 | -23.3 | 0 | 0 | 0 | 113.6 | A168 I169 | A168-N172 WeakPolarHBondContact O-CB 3.36Å; A168-N172 VanDerWaalsContact O-CG 3.27Å; A168-N172 PolarHBondContact O-N 2.8Å; A168-N172 VanDerWaalsContact O-N 3.09Å; A168-N172 PolarHBondContact O-ND2 3.29Å; I169-N172 PolarHBondContact O-N 2.78Å |
| 173 | T | 96.2 | Very high | 96.8 | Very high | 83 Ų | 83 | 57 Ų | 57 | 51% | 0.509 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 2.3 | 177.1 | 51.4 | 0 | 0 | 0 | 0 | 113.2 | I169 L170 H171 Y175 | I169-T173 HydrophobicContact CG2-CG2 4.44Å; I169-T173 WeakPolarHBondContact O-CB 3.46Å; I169-T173 WeakPolarHBondContact O-CG2 3.28Å; I169-T173 PolarHBondContact O-N 3.49Å; I169-T173 PolarHBondContact O-OG1 3.2Å; L170-T173 WeakPolarHBondContact CA-OG1 3.45Å; L170-T173 PolarHBondContact O-N 3.43Å; L170-T173 PolarHBondContact O-OG1 3.34Å; H171-T173 VanDerWaalsContact C-N 3.27Å; H171-T173 PolarHBondContact O-N 2.85Å; T173-Y175 WeakPolarHBondContact OG1-CD2 3.15Å |
| 174 | G | 94.3 | Very high | 96.8 | Very high | 54 Ų | 54 | 56.1 Ų | 56.1 | 56% | 0.557 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.2 | -0.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L170 H171 K176 | L170-G174 PolarHBondContact O-N 3Å; H171-G174 PolarHBondContact O-N 3.46Å; G174-K176 PolarHBondContact O-N 2.94Å |
| 175 | Y | 96 | Very high | 96.9 | Very high | 159 Ų | 159 | 57.6 Ų | 57.6 | 62% | 0.624 | 32% | 0.322 | S | S | * | . | trans | -80.5 | 64.2 | 177.4 | -66.7 | -84.1 | 0 | 0 | 0 | 112 | L170 T173 S177 G178 A179 | L170-Y175 HydrophobicContact CD2-CD2 4.33Å; L170-Y175 HydrophobicContact CD2-CG 4.25Å; L170-Y175 PolarHBondContact O-N 3.01Å; T173-Y175 WeakPolarHBondContact OG1-CD2 3.15Å; Y175-S177 PolarHBondContact O-N 3.37Å; Y175-G178 PolarHBondContact O-N 3.14Å; Y175-G178 VanDerWaalsContact O-N 3.1Å; Y175-A179 PolarHBondContact O-N 3.01Å | ||
| 176 | K | 94.6 | Very high | 96.9 | Very high | 100 Ų | 100 | 53 Ų | 53 | 44% | 0.435 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57.6 | -42.3 | -171.3 | -66.1 | -174.1 | -179.6 | -177.8 | 0 | 114.2 | Y40 G174 G178 A179 A180 | Y40-K176 HydrophobicContact CE2-CB 4.28Å; G174-K176 PolarHBondContact O-N 2.94Å; K176-G178 VanDerWaalsContact C-N 3.32Å; K176-G178 PolarHBondContact O-N 3.28Å; K176-A179 PolarHBondContact O-N 3.28Å; K176-A180 WeakPolarHBondContact O-CB 3.44Å; K176-A180 PolarHBondContact O-N 3.06Å |
| 177 | S | 97 | Very high | 97 | Very high | 41 Ų | 41 | 51.3 Ų | 51.3 | 29% | 0.287 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.2 | -40.3 | 177.6 | -58.4 | 0 | 0 | 0 | 0 | 112 | R37 F38 Y175 A180 I181 | R37-S177 WeakPolarHBondContact CA-OG 3.36Å; R37-S177 WeakPolarHBondContact CB-OG 3.49Å; F38-S177 PolarHBondContact N-OG 3.22Å; F38-S177 VanDerWaalsContact N-OG 3.14Å; Y175-S177 PolarHBondContact O-N 3.37Å; S177-A180 PolarHBondContact O-N 3.49Å; S177-I181 VanDerWaalsContact O-CG1 3.28Å; S177-I181 WeakPolarHBondContact O-CG1 3.25Å; S177-I181 PolarHBondContact O-N 2.94Å |
| 178 | G | 97.8 | Very high | 97.1 | Very high | 24 Ų | 24 | 51.9 Ų | 51.9 | 25% | 0.247 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.1 | -42.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L170 Y175 K176 A180 I181 C182 | L170-G178 VanDerWaalsContact CD1-C 3.47Å; Y175-G178 PolarHBondContact O-N 3.14Å; Y175-G178 VanDerWaalsContact O-N 3.1Å; K176-G178 VanDerWaalsContact C-N 3.32Å; K176-G178 PolarHBondContact O-N 3.28Å; G178-A180 PolarHBondContact O-N 3.39Å; G178-I181 PolarHBondContact O-N 3.37Å; G178-C182 PolarHBondContact O-N 3.39Å; G178-C182 PolarHBondContact O-SG 3.23Å; G178-C182 VanDerWaalsContact O-SG 3.37Å |
| 179 | A | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y40 M167 L170 H171 Y175 K176 C182 E183 | Y40-A179 HydrophobicContact CE1-CB 4Å; Y40-A179 WeakPolarHBondContact OH-CB 3.38Å; M167-A179 HydrophobicContact CG-CB 4.24Å; L170-A179 HydrophobicContact CB-CB 3.83Å; H171-A179 HydrophobicContact CB-CB 4.1Å; Y175-A179 PolarHBondContact O-N 3.01Å; K176-A179 PolarHBondContact O-N 3.28Å; A179-C182 WeakPolarHBondContact O-CB 3.3Å; A179-C182 PolarHBondContact O-N 3.49Å; A179-E183 PolarHBondContact O-N 2.94Å |
| 180 | A | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61 | -46.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F38 Y40 K176 S177 G178 C182 E183 W184 | F38-A180 HydrophobicContact CD1-CB 3.98Å; Y40-A180 HydrophobicContact CD1-CB 3.93Å; Y40-A180 HydrophobicContact CD2-CB 4.2Å; Y40-A180 HydrophobicContact CE1-CB 4.16Å; Y40-A180 HydrophobicContact CE2-CB 4.4Å; Y40-A180 HydrophobicContact CG-CB 3.96Å; K176-A180 WeakPolarHBondContact O-CB 3.44Å; K176-A180 PolarHBondContact O-N 3.06Å; S177-A180 PolarHBondContact O-N 3.49Å; G178-A180 PolarHBondContact O-N 3.39Å; A180-C182 VanDerWaalsContact C-N 3.25Å; A180-C182 PolarHBondContact O-N 2.8Å; A180-E183 WeakPolarHBondContact O-CB 3.39Å; A180-E183 PolarHBondContact O-N 2.89Å; A180-W184 PolarHBondContact O-N 3.02Å |
| 181 | I | 98.4 | Very high | 97.3 | Very high | 96 Ų | 96 | 46 Ų | 46 | 49% | 0.492 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -56.9 | -41.6 | 175.4 | -68.3 | 163.8 | 0 | 0 | 0 | 111 | F38 S177 G178 W184 A185 | F38-I181 HydrophobicContact CD1-CG1 3.63Å; F38-I181 HydrophobicContact CE1-CG1 4.05Å; F38-I181 HydrophobicContact CG-CG1 4.29Å; S177-I181 VanDerWaalsContact O-CG1 3.28Å; S177-I181 WeakPolarHBondContact O-CG1 3.25Å; S177-I181 PolarHBondContact O-N 2.94Å; G178-I181 PolarHBondContact O-N 3.37Å; I181-W184 PolarHBondContact O-N 2.82Å; I181-A185 WeakPolarHBondContact O-CB 3.39Å; I181-A185 PolarHBondContact O-N 2.97Å |
| 182 | C | 98.5 | Very high | 97.5 | Very high | 12 Ų | 12 | 44.1 Ų | 44.1 | 8% | 0.081 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.3 | -41.4 | 175.2 | -67.4 | 0 | 0 | 0 | 0 | 112.7 | L163 M167 G178 A179 A180 A185 L186 | L163-C182 HydrophobicContact CD2-CB 4.28Å; M167-C182 HydrophobicContact CB-CB 3.7Å; M167-C182 HydrophobicContact CG-CB 4.37Å; G178-C182 PolarHBondContact O-N 3.39Å; G178-C182 PolarHBondContact O-SG 3.23Å; G178-C182 VanDerWaalsContact O-SG 3.37Å; A179-C182 WeakPolarHBondContact O-CB 3.3Å; A179-C182 PolarHBondContact O-N 3.49Å; A180-C182 VanDerWaalsContact C-N 3.25Å; A180-C182 PolarHBondContact O-N 2.8Å; C182-A185 PolarHBondContact O-N 2.75Å; C182-L186 VanDerWaalsContact O-CB 3.22Å; C182-L186 WeakPolarHBondContact O-CB 3.3Å; C182-L186 PolarHBondContact O-N 3.36Å |
| 183 | E | 98.2 | Very high | 97.7 | Very high | 15 Ų | 15 | 37.8 Ų | 37.8 | 7% | 0.07 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.6 | -49.7 | 174.6 | -175.1 | -166.9 | -142.5 | 0 | 0 | 111.1 | Y40 I41 F123 M167 A179 A180 A185 L186 V187 | Y40-E183 VanDerWaalsContact CA-OE2 3.3Å; Y40-E183 WeakPolarHBondContact CA-OE2 3.44Å; Y40-E183 VanDerWaalsContact CB-OE2 3.25Å; Y40-E183 WeakPolarHBondContact CB-OE2 3.19Å; Y40-E183 HydrophobicContact CD1-CB 4.34Å; Y40-E183 WeakPolarHBondContact CD1-OE2 3.32Å; I41-E183 HydrophobicContact CD1-CG 4.4Å; I41-E183 PolarHBondContact N-OE2 3.43Å; F123-E183 HydrophobicContact CE2-CG 4.28Å; F123-E183 HydrophobicContact CZ-CG 4.26Å; M167-E183 HydrophobicContact SD-CB 3.84Å; M167-E183 HydrophobicContact SD-CG 4.34Å; A179-E183 PolarHBondContact O-N 2.94Å; A180-E183 WeakPolarHBondContact O-CB 3.39Å; A180-E183 PolarHBondContact O-N 2.89Å; E183-A185 PolarHBondContact O-N 3.11Å; E183-L186 WeakPolarHBondContact O-CB 3.31Å; E183-L186 PolarHBondContact O-N 3.24Å; E183-V187 WeakPolarHBondContact O-CG2 3.37Å; E183-V187 PolarHBondContact O-N 3.11Å |
| 184 | W | 98.6 | Very high | 97.8 | Very high | 10 Ų | 10 | 34.6 Ų | 34.6 | 4% | 0.038 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.5 | -49.1 | 177.8 | -83.1 | 84.6 | 0 | 0 | 0 | 111.7 | I19 W20 F23 F38 P39 I41 A180 I181 L186 V187 M188 | I19-W184 HydrophobicContact CG2-CE3 4.38Å; I19-W184 HydrophobicContact CG2-CH2 3.7Å; I19-W184 HydrophobicContact CG2-CZ2 4.49Å; I19-W184 HydrophobicContact CG2-CZ3 3.65Å; W20-W184 HydrophobicContact CD2-CE3 4.43Å; W20-W184 HydrophobicContact CD2-CH2 4.32Å; W20-W184 AromaticContact CD2-CZ3 3.6Å; W20-W184 HydrophobicContact CD2-CZ3 3.6Å; W20-W184 AromaticContact CE2-CZ3 3.64Å; W20-W184 HydrophobicContact CE3-CH2 4.05Å; W20-W184 AromaticContact CE3-CZ3 3.67Å; W20-W184 HydrophobicContact CE3-CZ3 3.67Å; W20-W184 HydrophobicContact CG-CZ3 4.26Å; W20-W184 AromaticContact CH2-CE3 3.91Å; W20-W184 HydrophobicContact CH2-CE3 3.91Å; W20-W184 AromaticContact CH2-CZ3 3.86Å; W20-W184 HydrophobicContact CH2-CZ3 3.86Å; W20-W184 AromaticContact CZ2-CE3 3.78Å; W20-W184 HydrophobicContact CZ2-CE3 3.78Å; W20-W184 AromaticContact CZ2-CZ3 3.78Å; W20-W184 HydrophobicContact CZ2-CZ3 3.78Å; W20-W184 HydrophobicContact CZ3-CE3 4.28Å; W20-W184 HydrophobicContact CZ3-CH2 4.23Å; W20-W184 AromaticContact CZ3-CZ3 3.8Å; W20-W184 HydrophobicContact CZ3-CZ3 3.8Å; F23-W184 HydrophobicContact CB-CH2 3.5Å; F23-W184 VanDerWaalsContact CB-CH2 3.5Å; F23-W184 HydrophobicContact CB-CZ2 3.86Å; F23-W184 HydrophobicContact CD2-CH2 4.27Å; F23-W184 AromaticContact CD2-CZ2 3.93Å; F23-W184 HydrophobicContact CD2-CZ2 3.93Å; F23-W184 AromaticContact CG-CH2 3.95Å; F23-W184 HydrophobicContact CG-CH2 3.95Å; F23-W184 HydrophobicContact CG-CZ2 4.08Å; F38-W184 HydrophobicContact CE1-CB 4.46Å; F38-W184 AromaticContact CE1-CD1 3.38Å; F38-W184 HydrophobicContact CE1-CD2 4.31Å; F38-W184 AromaticContact CE1-CG 3.82Å; F38-W184 HydrophobicContact CE1-CG 3.82Å; F38-W184 AromaticContact CE1-NE1 3.56Å; F38-W184 HydrophobicContact CZ-CD2 4.25Å; F38-W184 HydrophobicContact CZ-CG 4.21Å; F38-W184 AromaticContact CZ-NE1 3.88Å; P39-W184 PolarHBondContact O-NE1 3.42Å; I41-W184 HydrophobicContact CD1-CD2 4.05Å; I41-W184 HydrophobicContact CD1-CE3 4.37Å; I41-W184 HydrophobicContact CD1-CG 4.18Å; I41-W184 HydrophobicContact CG1-CD2 3.63Å; I41-W184 HydrophobicContact CG1-CE3 4.22Å; I41-W184 HydrophobicContact CG1-CG 3.93Å; I41-W184 HydrophobicContact CG1-CH2 4.3Å; I41-W184 HydrophobicContact CG1-CZ2 3.77Å; A180-W184 PolarHBondContact O-N 3.02Å; I181-W184 PolarHBondContact O-N 2.82Å; W184-L186 VanDerWaalsContact C-N 3.3Å; W184-L186 PolarHBondContact O-N 3.21Å; W184-V187 PolarHBondContact O-N 3.19Å; W184-M188 HydrophobicContact CE3-CE 4.19Å; W184-M188 HydrophobicContact CZ3-CE 4.35Å; W184-M188 VanDerWaalsContact O-CG 3.29Å; W184-M188 WeakPolarHBondContact O-CG 3.47Å; W184-M188 PolarHBondContact O-N 3.3Å |
| 185 | A | 98.7 | Very high | 97.9 | Very high | 36 Ų | 36 | 33 Ų | 33 | 30% | 0.298 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.4 | -36.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L163 I181 C182 E183 S189 | L163-A185 HydrophobicContact CD1-CB 3.71Å; L163-A185 HydrophobicContact CD2-CB 4Å; I181-A185 WeakPolarHBondContact O-CB 3.39Å; I181-A185 PolarHBondContact O-N 2.97Å; C182-A185 PolarHBondContact O-N 2.75Å; E183-A185 PolarHBondContact O-N 3.11Å; A185-S189 WeakPolarHBondContact O-CB 3.23Å; A185-S189 PolarHBondContact O-N 3.49Å; A185-S189 PolarHBondContact O-OG 2.9Å |
| 186 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.2 | -49.2 | 177.1 | 174.4 | 66.4 | 0 | 0 | 0 | 111 | F123 C160 L163 V164 C182 E183 W184 M188 S189 F190 | F123-L186 HydrophobicContact CB-CD2 4.13Å; F123-L186 HydrophobicContact CD1-CD2 4.19Å; F123-L186 HydrophobicContact CD2-CD2 4.12Å; F123-L186 HydrophobicContact CG-CD2 3.9Å; C160-L186 HydrophobicContact CB-CD1 3.55Å; L163-L186 HydrophobicContact CB-CB 4.33Å; L163-L186 HydrophobicContact CD1-CB 4.38Å; V164-L186 HydrophobicContact CG2-CD1 3.71Å; V164-L186 HydrophobicContact CG2-CD2 3.35Å; V164-L186 HydrophobicContact CG2-CG 4.16Å; C182-L186 VanDerWaalsContact O-CB 3.22Å; C182-L186 WeakPolarHBondContact O-CB 3.3Å; C182-L186 PolarHBondContact O-N 3.36Å; E183-L186 WeakPolarHBondContact O-CB 3.31Å; E183-L186 PolarHBondContact O-N 3.24Å; W184-L186 VanDerWaalsContact C-N 3.3Å; W184-L186 PolarHBondContact O-N 3.21Å; L186-M188 PolarHBondContact O-N 3.09Å; L186-S189 WeakPolarHBondContact O-CB 3.44Å; L186-S189 PolarHBondContact O-N 3.19Å; L186-F190 HydrophobicContact CD1-CD1 4.14Å; L186-F190 HydrophobicContact CD1-CE1 3.67Å; L186-F190 HydrophobicContact CD1-CZ 4.19Å; L186-F190 HydrophobicContact CG-CE1 4.41Å; L186-F190 PolarHBondContact O-N 2.85Å |
| 187 | V | 98.6 | Very high | 97.8 | Very high | 14 Ų | 14 | 21.8 Ų | 21.8 | 9% | 0.085 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.7 | -41.7 | 179.6 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | I19 I41 F123 E183 W184 S189 F190 F191 | I19-V187 HydrophobicContact CD1-CG1 3.58Å; I41-V187 HydrophobicContact CD1-CB 3.9Å; I41-V187 HydrophobicContact CD1-CG1 4.18Å; I41-V187 HydrophobicContact CD1-CG2 3.75Å; F123-V187 HydrophobicContact CE1-CG2 3.8Å; F123-V187 HydrophobicContact CZ-CG2 4.03Å; E183-V187 WeakPolarHBondContact O-CG2 3.37Å; E183-V187 PolarHBondContact O-N 3.11Å; W184-V187 PolarHBondContact O-N 3.19Å; V187-S189 VanDerWaalsContact C-N 3.32Å; V187-S189 PolarHBondContact O-N 3.29Å; V187-F190 WeakPolarHBondContact O-CB 3.29Å; V187-F190 PolarHBondContact O-N 3.06Å; V187-F191 HydrophobicContact CG1-CD2 4.08Å; V187-F191 HydrophobicContact CG1-CE2 3.52Å; V187-F191 HydrophobicContact CG1-CZ 4.08Å; V187-F191 WeakPolarHBondContact O-CD2 3.5Å; V187-F191 PolarHBondContact O-N 3.34Å |
| 188 | M | 98.7 | Very high | 97.6 | Very high | 38 Ų | 38 | 20 Ų | 20 | 19% | 0.187 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63 | -39.5 | 174.5 | -64.8 | -54.3 | 132.4 | 0 | 0 | 112 | T16 I19 W184 L186 F190 F191 V192 | T16-M188 HydrophobicContact CG2-SD 3.77Å; I19-M188 HydrophobicContact CG2-CE 4.32Å; W184-M188 HydrophobicContact CE3-CE 4.19Å; W184-M188 HydrophobicContact CZ3-CE 4.35Å; W184-M188 VanDerWaalsContact O-CG 3.29Å; W184-M188 WeakPolarHBondContact O-CG 3.47Å; W184-M188 PolarHBondContact O-N 3.3Å; L186-M188 PolarHBondContact O-N 3.09Å; M188-F190 VanDerWaalsContact C-N 3.32Å; M188-F190 PolarHBondContact O-N 3.19Å; M188-F191 HydrophobicContact CE-CD2 4.44Å; M188-F191 HydrophobicContact CE-CE2 4.39Å; M188-F191 PolarHBondContact O-N 2.88Å; M188-F191 HydrophobicContact SD-CD2 4.26Å; M188-V192 WeakPolarHBondContact O-CG2 3.34Å; M188-V192 PolarHBondContact O-N 3.06Å |
| 189 | S | 98.7 | Very high | 97.1 | Very high | 11 Ų | 11 | 20.9 Ų | 20.9 | 8% | 0.077 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.6 | -36.1 | 175.3 | -61.1 | 0 | 0 | 0 | 0 | 112.2 | C160 A185 L186 V187 V192 L193 | C160-S189 WeakPolarHBondContact SG-CB 3.4Å; A185-S189 WeakPolarHBondContact O-CB 3.23Å; A185-S189 PolarHBondContact O-N 3.49Å; A185-S189 PolarHBondContact O-OG 2.9Å; L186-S189 WeakPolarHBondContact O-CB 3.44Å; L186-S189 PolarHBondContact O-N 3.19Å; V187-S189 VanDerWaalsContact C-N 3.32Å; V187-S189 PolarHBondContact O-N 3.29Å; S189-V192 PolarHBondContact O-N 3.12Å; S189-L193 WeakPolarHBondContact O-CG 3.45Å; S189-L193 PolarHBondContact O-N 3.14Å |
| 190 | F | 98.6 | Very high | 96.5 | Very high | 19 Ų | 19 | 21.3 Ų | 21.3 | 8% | 0.083 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.3 | -42.1 | 173.3 | -84.6 | 22 | 0 | 0 | 0 | 112.2 | F123 L127 F130 C160 L186 V187 M188 V192 L193 F194 | F123-F190 HydrophobicContact CD1-CE2 4.43Å; F123-F190 WeakPolarHBondContact O-CZ 3.43Å; L127-F190 HydrophobicContact CB-CE1 4.43Å; L127-F190 HydrophobicContact CB-CZ 4.03Å; L127-F190 HydrophobicContact CD1-CE1 4.44Å; F130-F190 HydrophobicContact CD2-CD1 4.3Å; F130-F190 HydrophobicContact CD2-CE1 4.21Å; F130-F190 HydrophobicContact CD2-CZ 4.42Å; F130-F190 HydrophobicContact CE2-CB 4.41Å; F130-F190 HydrophobicContact CE2-CD1 4.09Å; F130-F190 HydrophobicContact CE2-CD2 4.14Å; F130-F190 HydrophobicContact CE2-CE1 4.37Å; F130-F190 HydrophobicContact CE2-CE2 4.42Å; F130-F190 AromaticContact CE2-CG 3.96Å; F130-F190 HydrophobicContact CE2-CG 3.96Å; C160-F190 HydrophobicContact CB-CE1 4.04Å; L186-F190 HydrophobicContact CD1-CD1 4.14Å; L186-F190 HydrophobicContact CD1-CE1 3.67Å; L186-F190 HydrophobicContact CD1-CZ 4.19Å; L186-F190 HydrophobicContact CG-CE1 4.41Å; L186-F190 PolarHBondContact O-N 2.85Å; V187-F190 WeakPolarHBondContact O-CB 3.29Å; V187-F190 PolarHBondContact O-N 3.06Å; M188-F190 VanDerWaalsContact C-N 3.32Å; M188-F190 PolarHBondContact O-N 3.19Å; F190-V192 VanDerWaalsContact C-N 3.32Å; F190-V192 PolarHBondContact O-N 3.24Å; F190-L193 HydrophobicContact CD1-CD1 4.22Å; F190-L193 PolarHBondContact O-N 3.41Å; F190-F194 WeakPolarHBondContact O-CD2 3.36Å; F190-F194 PolarHBondContact O-N 3.34Å |
| 191 | F | 98.6 | Very high | 96.1 | Very high | 21 Ų | 21 | 21.3 Ų | 21.3 | 9% | 0.092 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.1 | -39 | 174.3 | -69 | -47.8 | 0 | 0 | 0 | 112.1 | A12 G15 T16 I19 V187 M188 F194 G195 | A12-F191 HydrophobicContact CB-CB 4.14Å; A12-F191 WeakPolarHBondContact CB-O 3.46Å; G15-F191 VanDerWaalsContact CA-CZ 3.4Å; T16-F191 VanDerWaalsContact OG1-CD2 3.24Å; T16-F191 WeakPolarHBondContact OG1-CD2 3.45Å; I19-F191 HydrophobicContact CD1-CE2 3.78Å; I19-F191 HydrophobicContact CD1-CZ 3.92Å; V187-F191 HydrophobicContact CG1-CD2 4.08Å; V187-F191 HydrophobicContact CG1-CE2 3.52Å; V187-F191 HydrophobicContact CG1-CZ 4.08Å; V187-F191 WeakPolarHBondContact O-CD2 3.5Å; V187-F191 PolarHBondContact O-N 3.34Å; M188-F191 HydrophobicContact CE-CD2 4.44Å; M188-F191 HydrophobicContact CE-CE2 4.39Å; M188-F191 PolarHBondContact O-N 2.88Å; M188-F191 HydrophobicContact SD-CD2 4.26Å; F191-F194 PolarHBondContact O-N 3.14Å; F191-G195 PolarHBondContact O-N 3.25Å |
| 192 | V | 98.4 | Very high | 95.2 | Very high | 61 Ų | 61 | 20.9 Ų | 20.9 | 37% | 0.37 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -61.4 | -48.6 | 172.2 | 175.7 | 0 | 0 | 0 | 0 | 110.9 | F156 M188 S189 F190 F194 G195 L196 | F156-V192 HydrophobicContact CD1-CB 4.5Å; F156-V192 HydrophobicContact CD1-CG1 4.4Å; F156-V192 HydrophobicContact CD2-CG1 3.97Å; F156-V192 HydrophobicContact CE1-CB 4.21Å; F156-V192 HydrophobicContact CE1-CG1 4.05Å; F156-V192 HydrophobicContact CE1-CG2 4.37Å; F156-V192 HydrophobicContact CE2-CG1 3.59Å; F156-V192 HydrophobicContact CG-CG1 4.37Å; F156-V192 HydrophobicContact CZ-CB 4.27Å; F156-V192 HydrophobicContact CZ-CG1 3.65Å; F156-V192 HydrophobicContact CZ-CG2 4.4Å; M188-V192 WeakPolarHBondContact O-CG2 3.34Å; M188-V192 PolarHBondContact O-N 3.06Å; S189-V192 PolarHBondContact O-N 3.12Å; F190-V192 VanDerWaalsContact C-N 3.32Å; F190-V192 PolarHBondContact O-N 3.24Å; V192-F194 VanDerWaalsContact C-N 3.31Å; V192-F194 PolarHBondContact O-N 3.19Å; V192-G195 WeakPolarHBondContact O-CA 3.26Å; V192-G195 PolarHBondContact O-N 3.44Å; V192-G195 VanDerWaalsContact O-N 3.07Å; V192-L196 WeakPolarHBondContact O-CG 3.43Å; V192-L196 PolarHBondContact O-N 3.06Å |
| 193 | L | 98.1 | Very high | 94 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.2 | -40.9 | 178.4 | -75.9 | 167.8 | 0 | 0 | 0 | 112.5 | F130 R153 F156 S189 F190 L196 | F130-L193 HydrophobicContact CB-CD1 4.25Å; F130-L193 HydrophobicContact CD1-CB 3.82Å; F130-L193 HydrophobicContact CD1-CD1 4.2Å; F130-L193 HydrophobicContact CD1-CG 4.42Å; F130-L193 HydrophobicContact CD2-CD1 3.89Å; F130-L193 HydrophobicContact CE1-CB 3.5Å; F130-L193 VanDerWaalsContact CE1-CB 3.5Å; F130-L193 HydrophobicContact CE2-CB 4.23Å; F130-L193 HydrophobicContact CE2-CD1 4.23Å; F130-L193 HydrophobicContact CG-CB 4.32Å; F130-L193 HydrophobicContact CG-CD1 3.87Å; F130-L193 HydrophobicContact CZ-CB 3.71Å; R153-L193 HydrophobicContact CB-CD2 4.34Å; R153-L193 HydrophobicContact CG-CD2 4.3Å; F156-L193 HydrophobicContact CB-CD1 4.24Å; F156-L193 HydrophobicContact CB-CD2 3.61Å; F156-L193 HydrophobicContact CB-CG 3.8Å; S189-L193 WeakPolarHBondContact O-CG 3.45Å; S189-L193 PolarHBondContact O-N 3.14Å; F190-L193 HydrophobicContact CD1-CD1 4.22Å; F190-L193 PolarHBondContact O-N 3.41Å; L193-L196 HydrophobicContact CD2-CD1 4.5Å |
| 194 | F | 97.8 | Very high | 92.8 | Very high | 16 Ų | 16 | 25.6 Ų | 25.6 | 7% | 0.07 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.3 | -48.2 | 171.6 | -85.7 | -64 | 0 | 0 | 0 | 111.4 | P8 L11 A65 V68 F130 F190 F191 V192 L196 F197 | P8-F194 VanDerWaalsContact CB-O 3.24Å; P8-F194 WeakPolarHBondContact CB-O 3.12Å; L11-F194 HydrophobicContact CD2-CB 3.93Å; L11-F194 HydrophobicContact CD2-CD1 3.66Å; L11-F194 HydrophobicContact CD2-CD2 4.09Å; L11-F194 HydrophobicContact CD2-CE1 4.17Å; L11-F194 HydrophobicContact CD2-CG 3.63Å; L11-F194 HydrophobicContact CG-CB 4.46Å; L11-F194 HydrophobicContact CG-CG 4.49Å; A65-F194 HydrophobicContact CB-CE1 4.01Å; A65-F194 HydrophobicContact CB-CE2 4.49Å; A65-F194 HydrophobicContact CB-CZ 3.82Å; V68-F194 HydrophobicContact CG1-CD1 4.05Å; V68-F194 HydrophobicContact CG1-CE1 4.35Å; F130-F194 HydrophobicContact CE1-CD1 4.44Å; F130-F194 HydrophobicContact CE1-CE1 4.49Å; F130-F194 HydrophobicContact CE1-CG 4.46Å; F130-F194 HydrophobicContact CE2-CD2 4.44Å; F130-F194 HydrophobicContact CE2-CE2 4.08Å; F130-F194 HydrophobicContact CE2-CZ 4.44Å; F130-F194 HydrophobicContact CZ-CD1 4.19Å; F130-F194 AromaticContact CZ-CD2 3.63Å; F130-F194 HydrophobicContact CZ-CD2 3.63Å; F130-F194 HydrophobicContact CZ-CE1 4.11Å; F130-F194 AromaticContact CZ-CE2 3.53Å; F130-F194 HydrophobicContact CZ-CE2 3.53Å; F130-F194 AromaticContact CZ-CG 3.95Å; F130-F194 HydrophobicContact CZ-CG 3.95Å; F130-F194 AromaticContact CZ-CZ 3.78Å; F130-F194 HydrophobicContact CZ-CZ 3.78Å; F190-F194 WeakPolarHBondContact O-CD2 3.36Å; F190-F194 PolarHBondContact O-N 3.34Å; F191-F194 PolarHBondContact O-N 3.14Å; V192-F194 VanDerWaalsContact C-N 3.31Å; V192-F194 PolarHBondContact O-N 3.19Å; F194-L196 PolarHBondContact O-N 3.44Å; F194-L196 VanDerWaalsContact O-N 3.16Å; F194-F197 HydrophobicContact CD1-CD2 4.26Å; F194-F197 HydrophobicContact CD1-CE2 4.31Å; F194-F197 WeakPolarHBondContact O-CB 3.26Å; F194-F197 WeakPolarHBondContact O-CD2 3.35Å; F194-F197 PolarHBondContact O-N 2.63Å |
| 195 | G | 96.9 | Very high | 91.2 | Very high | 20 Ų | 20 | 29.5 Ų | 29.5 | 21% | 0.206 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56 | -32.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | F191 V192 F197 G198 | F191-G195 PolarHBondContact O-N 3.25Å; V192-G195 WeakPolarHBondContact O-CA 3.26Å; V192-G195 PolarHBondContact O-N 3.44Å; V192-G195 VanDerWaalsContact O-N 3.07Å; G195-F197 PolarHBondContact O-N 3.31Å; G195-G198 PolarHBondContact O-N 3.35Å |
| 196 | L | 95.1 | Very high | 89.4 | Confident | 24 Ų | 24 | 31.8 Ų | 31.8 | 13% | 0.126 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.1 | -28 | 175.7 | -68.3 | 176.8 | 0 | 0 | 0 | 113.5 | L152 R153 V192 L193 F194 G198 S199 | L152-L196 HydrophobicContact CB-CD1 4.38Å; L152-L196 HydrophobicContact CD2-CD1 4.24Å; L152-L196 HydrophobicContact CD2-CD2 3.53Å; L152-L196 HydrophobicContact CG-CD1 4.06Å; L152-L196 HydrophobicContact CG-CD2 4.27Å; R153-L196 HydrophobicContact CG-CD1 3.63Å; V192-L196 WeakPolarHBondContact O-CG 3.43Å; V192-L196 PolarHBondContact O-N 3.06Å; L193-L196 HydrophobicContact CD2-CD1 4.5Å; F194-L196 PolarHBondContact O-N 3.44Å; F194-L196 VanDerWaalsContact O-N 3.16Å; L196-G198 PolarHBondContact O-N 3.1Å; L196-S199 PolarHBondContact O-N 2.84Å; L196-S199 PolarHBondContact O-OG 3.02Å |
| 197 | F | 93.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.8 | -25.5 | 172 | -71.8 | -68.1 | 0 | 0 | 0 | 112.5 | P8 V68 R72 Y129 F130 Q133 F194 G195 S199 E200 F201 | P8-F197 HydrophobicContact CB-CB 3.86Å; P8-F197 HydrophobicContact CG-CB 3.99Å; V68-F197 HydrophobicContact CG1-CB 4.21Å; V68-F197 HydrophobicContact CG1-CD2 3.58Å; V68-F197 HydrophobicContact CG1-CE2 4.11Å; V68-F197 HydrophobicContact CG1-CG 3.93Å; R72-F197 HydrophobicContact CB-CE1 4.17Å; R72-F197 HydrophobicContact CG-CD1 4.28Å; R72-F197 HydrophobicContact CG-CE1 3.59Å; R72-F197 HydrophobicContact CG-CZ 4.22Å; Y129-F197 HydrophobicContact CE1-CE2 4.36Å; Y129-F197 HydrophobicContact CE1-CZ 4.32Å; F130-F197 HydrophobicContact CE1-CE2 4.1Å; Q133-F197 HydrophobicContact CB-CZ 4.35Å; Q133-F197 HydrophobicContact CG-CZ 3.97Å; F194-F197 HydrophobicContact CD1-CD2 4.26Å; F194-F197 HydrophobicContact CD1-CE2 4.31Å; F194-F197 WeakPolarHBondContact O-CB 3.26Å; F194-F197 WeakPolarHBondContact O-CD2 3.35Å; F194-F197 PolarHBondContact O-N 2.63Å; G195-F197 PolarHBondContact O-N 3.31Å; F197-S199 PolarHBondContact O-N 3.29Å; F197-E200 VanDerWaalsContact CD1-OE2 3.3Å; F197-E200 WeakPolarHBondContact CD1-OE2 3.44Å; F197-E200 PolarHBondContact O-N 3.25Å; F197-F201 HydrophobicContact CB-CD1 4.41Å; F197-F201 HydrophobicContact CB-CD2 4.34Å; F197-F201 HydrophobicContact CB-CE1 4.09Å; F197-F201 HydrophobicContact CB-CE2 4.02Å; F197-F201 HydrophobicContact CB-CZ 3.89Å; F197-F201 AromaticContact CD1-CE1 3.88Å; F197-F201 HydrophobicContact CD1-CE1 3.88Å; F197-F201 AromaticContact CD1-CZ 3.97Å; F197-F201 HydrophobicContact CD1-CZ 3.97Å; F197-F201 HydrophobicContact CG-CE1 4.33Å; F197-F201 HydrophobicContact CG-CZ 4.09Å; F197-F201 WeakPolarHBondContact O-CB 3.37Å; F197-F201 WeakPolarHBondContact O-CD1 3.42Å; F197-F201 VanDerWaalsContact O-CG 3.29Å; F197-F201 WeakPolarHBondContact O-CG 3.37Å; F197-F201 PolarHBondContact O-N 3.19Å |
| 198 | G | 91.8 | Very high | 84.8 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 4% | 0.041 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59 | -38.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A5 G195 L196 E200 | A5-G198 WeakPolarHBondContact CB-O 3.37Å; A5-G198 WeakPolarHBondContact O-CA 3.5Å; G195-G198 PolarHBondContact O-N 3.35Å; L196-G198 PolarHBondContact O-N 3.1Å; G198-E200 PolarHBondContact O-N 3.46Å |
| 199 | S | 87.9 | Confident | 82.2 | Confident | 42 Ų | 42 | 51.6 Ų | 51.6 | 29% | 0.294 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.4 | -48 | 174.2 | 73.3 | 0 | 0 | 0 | 0 | 110.6 | R146 L196 F197 | R146-S199 PolarHBondContact NH1-O 3.43Å; R146-S199 PolarHBondContact NH2-O 3.04Å; L196-S199 PolarHBondContact O-N 2.84Å; L196-S199 PolarHBondContact O-OG 3.02Å; F197-S199 PolarHBondContact O-N 3.29Å |
| 200 | E | 85.8 | Confident | 79.9 | Confident | 8 Ų | 8 | 56.2 Ų | 56.2 | 4% | 0.037 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -71.9 | -32.6 | -176.7 | -66.6 | -179.6 | 118.7 | 0 | 0 | 114.4 | R72 Q75 V149 R153 F197 G198 R202 | R72-E200 IonicContact CZ-OE1 3.16Å; R72-E200 IonicContact CZ-OE2 3.19Å; R72-E200 IonicContact NH1-OE1 3.73Å; R72-E200 PolarHBondContact NH1-OE1 2.94Å; R72-E200 IonicContact NH1-OE2 2.96Å; R72-E200 PolarHBondContact NH1-OE2 3.49Å; R72-E200 IonicContact NH2-OE1 2.83Å; R72-E200 PolarHBondContact NH2-OE1 3.49Å; R72-E200 VanDerWaalsContact NH2-OE1 3.16Å; R72-E200 IonicContact NH2-OE2 3.92Å; Q75-E200 PolarHBondContact NE2-O 2.59Å; V149-E200 HydrophobicContact CG1-CG 4.46Å; R153-E200 IonicContact CZ-OE1 3.09Å; R153-E200 IonicContact CZ-OE2 2.81Å; R153-E200 IonicContact NH1-OE1 3.36Å; R153-E200 PolarHBondContact NH1-OE1 2.87Å; R153-E200 IonicContact NH1-OE2 3.91Å; R153-E200 PolarHBondContact NH1-OE2 2.93Å; R153-E200 IonicContact NH2-OE2 3.61Å; R153-E200 PolarHBondContact NH2-OE2 2.88Å; F197-E200 VanDerWaalsContact CD1-OE2 3.3Å; F197-E200 WeakPolarHBondContact CD1-OE2 3.44Å; F197-E200 PolarHBondContact O-N 3.25Å; G198-E200 PolarHBondContact O-N 3.46Å; E200-R202 VanDerWaalsContact C-N 3.3Å; E200-R202 PolarHBondContact O-N 3.23Å |
| 201 | F | 87.7 | Confident | 77.9 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -79.3 | -10.7 | -174.8 | -70.1 | 1.4 | 0 | 0 | 0 | 113.6 | W4 P8 V68 I71 R72 F197 H203 I204 | W4-F201 HydrophobicContact CB-CB 4.28Å; W4-F201 WeakPolarHBondContact O-CD2 3.3Å; P8-F201 HydrophobicContact CG-CD2 3.93Å; P8-F201 HydrophobicContact CG-CE2 4.34Å; V68-F201 HydrophobicContact CB-CE2 4.38Å; V68-F201 HydrophobicContact CG1-CE2 3.93Å; V68-F201 HydrophobicContact CG1-CZ 4.02Å; V68-F201 HydrophobicContact CG2-CE2 4.37Å; I71-F201 HydrophobicContact CB-CE2 4.02Å; I71-F201 HydrophobicContact CB-CZ 4.03Å; I71-F201 HydrophobicContact CG2-CD1 4.23Å; I71-F201 HydrophobicContact CG2-CD2 4Å; I71-F201 HydrophobicContact CG2-CE1 3.97Å; I71-F201 HydrophobicContact CG2-CE2 3.73Å; I71-F201 HydrophobicContact CG2-CG 4.25Å; I71-F201 HydrophobicContact CG2-CZ 3.71Å; R72-F201 HydrophobicContact CB-CE1 4.25Å; R72-F201 HydrophobicContact CB-CZ 4.03Å; F197-F201 HydrophobicContact CB-CD1 4.41Å; F197-F201 HydrophobicContact CB-CD2 4.34Å; F197-F201 HydrophobicContact CB-CE1 4.09Å; F197-F201 HydrophobicContact CB-CE2 4.02Å; F197-F201 HydrophobicContact CB-CZ 3.89Å; F197-F201 AromaticContact CD1-CE1 3.88Å; F197-F201 HydrophobicContact CD1-CE1 3.88Å; F197-F201 AromaticContact CD1-CZ 3.97Å; F197-F201 HydrophobicContact CD1-CZ 3.97Å; F197-F201 HydrophobicContact CG-CE1 4.33Å; F197-F201 HydrophobicContact CG-CZ 4.09Å; F197-F201 WeakPolarHBondContact O-CB 3.37Å; F197-F201 WeakPolarHBondContact O-CD1 3.42Å; F197-F201 VanDerWaalsContact O-CG 3.29Å; F197-F201 WeakPolarHBondContact O-CG 3.37Å; F197-F201 PolarHBondContact O-N 3.19Å; F201-H203 PolarHBondContact O-N 3.46Å; F201-I204 HydrophobicContact CB-CD1 4.04Å; F201-I204 HydrophobicContact CD1-CD1 3.55Å; F201-I204 HydrophobicContact CE1-CD1 4.19Å; F201-I204 HydrophobicContact CG-CD1 3.88Å; F201-I204 PolarHBondContact O-N 2.69Å |
| 202 | R | 79.3 | Confident | 76 | Confident | 88 Ų | 88 | 68.1 Ų | 68.1 | 33% | 0.332 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -24.6 | -177.6 | -165.4 | 178.8 | 85.5 | 160 | 1.1 | 115.1 | W2 A5 E200 | W2-R202 HydrophobicContact CD2-CG 3.75Å; W2-R202 HydrophobicContact CE3-CG 3.84Å; W2-R202 HydrophobicContact CG-CG 4.27Å; W2-R202 VanDerWaalsContact CH2-CD 3.46Å; W2-R202 HydrophobicContact CH2-CG 4.45Å; W2-R202 HydrophobicContact CZ2-CG 4.35Å; W2-R202 VanDerWaalsContact CZ2-NH1 3.28Å; W2-R202 HydrophobicContact CZ3-CG 4.19Å; A5-R202 HydrophobicContact CB-CB 4.15Å; E200-R202 VanDerWaalsContact C-N 3.3Å; E200-R202 PolarHBondContact O-N 3.23Å |
| 203 | H | 73.3 | Confident | 73.9 | Confident | 105 Ų | 105 | 73.2 Ų | 73.2 | 49% | 0.486 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | 8.5 | -177.7 | -60.9 | -74.4 | 0 | 0 | 0 | 113.3 | R146 F201 D205 | R146-H203 PolarHBondContact NH2-CD2 3.29Å; R146-H203 VanDerWaalsContact NH2-CD2 3.27Å; R146-H203 PolarHBondContact NH2-NE2 3.06Å; F201-H203 PolarHBondContact O-N 3.46Å; H203-D205 PolarHBondContact O-N 3.29Å |
| 204 | I | 74.3 | Confident | 71.8 | Confident | 20 Ų | 20 | 81.2 Ų | 81.2 | 10% | 0.103 | 41% | 0.407 | C | S | . | . | trans | -78.9 | 112.1 | 174.6 | -61 | 177.8 | 0 | 0 | 0 | 108.1 | I71 Q75 F201 F206 | I71-I204 HydrophobicContact CG2-CD1 3.5Å; Q75-I204 HydrophobicContact CB-CD1 4.18Å; Q75-I204 HydrophobicContact CG-CD1 4.13Å; F201-I204 HydrophobicContact CB-CD1 4.04Å; F201-I204 HydrophobicContact CD1-CD1 3.55Å; F201-I204 HydrophobicContact CE1-CD1 4.19Å; F201-I204 HydrophobicContact CG-CD1 3.88Å; F201-I204 PolarHBondContact O-N 2.69Å; I204-F206 HydrophobicContact CG2-CD2 3.69Å; I204-F206 HydrophobicContact CG2-CE2 3.82Å | ||
| 205 | D | 65.3 | Low | 69.5 | Low | 92 Ų | 92 | 91.1 Ų | 91.1 | 49% | 0.492 | 44% | 0.444 | S | S | . | . | trans | -109.6 | 97.6 | 171.5 | -71.8 | -36.2 | 0 | 0 | 0 | 108.9 | M1 H203 H207 | M1-D205 WeakPolarHBondContact CB-OD1 3.44Å; M1-D205 VanDerWaalsContact CG-OD1 3.3Å; M1-D205 WeakPolarHBondContact CG-OD1 3.41Å; M1-D205 PolarHBondContact N-OD1 3.36Å; H203-D205 PolarHBondContact O-N 3.29Å; D205-H207 PolarHBondContact O-N 3.41Å; D205-H207 VanDerWaalsContact O-N 3.14Å | ||
| 206 | F | 59.9 | Low | 67.2 | Low | 85 Ų | 85 | 95.1 Ų | 95.1 | 37% | 0.373 | 46% | 0.46 | S | S | . | . | trans | -74.5 | 100.4 | 169.8 | -93.2 | -82.8 | 0 | 0 | 0 | 108.6 | W4 Q74 I204 | W4-F206 HydrophobicContact CZ2-CD2 4.22Å; W4-F206 AromaticContact NE1-CD2 3.97Å; Q74-F206 HydrophobicContact CG-CZ 4.15Å; I204-F206 HydrophobicContact CG2-CD2 3.69Å; I204-F206 HydrophobicContact CG2-CE2 3.82Å | ||
| 207 | H | 52.6 | Low | 64.9 | Low | 150 Ų | 150 | 103.3 Ų | 103.3 | 69% | 0.694 | 50% | 0.495 | S | S | * | . | trans | -107.6 | -8.9 | 172.3 | -91 | 60.4 | 0 | 0 | 0 | 114.6 | D205 | D205-H207 PolarHBondContact O-N 3.41Å; D205-H207 VanDerWaalsContact O-N 3.14Å | ||
| 208 | Q | 47.5 | Very low | 62.5 | Low | 153 Ų | 153 | 108.4 Ų | 108.4 | 72% | 0.715 | 53% | 0.525 | S | S | * | . | trans | -149.4 | 109.1 | 175.4 | -72.5 | -166.4 | -20.1 | 0 | 0 | 113.1 | T210 | Q208-T210 VanDerWaalsContact C-N 3.33Å; Q208-T210 PolarHBondContact O-N 2.97Å | ||
| 209 | L | 45.2 | Very low | 60.2 | Low | 165 Ų | 165 | 116.2 Ų | 116.2 | 86% | 0.864 | 56% | 0.561 | S | S | * | * | trans | -79.4 | 86.4 | 152.7 | -73.5 | 166.6 | 0 | 0 | 0 | 107.2 | V211 | L209-V211 PolarHBondContact O-N 3.3Š| ||
| 210 | T | 49.4 | Very low | 58.2 | Low | 108 Ų | 108 | 119.2 Ų | 119.2 | 66% | 0.663 | 58% | 0.582 | S | S | * | * | trans | -82.4 | 117.6 | 175.8 | 14.1 | 0 | 0 | 0 | 0 | 110 | Q208 Q212 | Q208-T210 VanDerWaalsContact C-N 3.33Å; Q208-T210 PolarHBondContact O-N 2.97Å; T210-Q212 PolarHBondContact O-N 3.36Å | ||
| 211 | V | 58.2 | Low | 56.2 | Low | 129 Ų | 129 | 124.4 Ų | 124.4 | 78% | 0.782 | 62% | 0.615 | S | S | * | * | trans | -60.6 | 123.7 | 169.9 | 177.2 | 0 | 0 | 0 | 0 | 108.6 | L209 K213 | L209-V211 PolarHBondContact O-N 3.3Å; V211-K213 PolarHBondContact O-N 3.43Å | ||
| 212 | Q | 57 | Low | 54 | Low | 160 Ų | 160 | 131.7 Ų | 131.7 | 75% | 0.748 | 65% | 0.653 | S | S | * | * | trans | -66 | 102.5 | 168.4 | -80.4 | -122.2 | -47.7 | 0 | 0 | 109.3 | T210 Q214 | T210-Q212 PolarHBondContact O-N 3.36Å; Q212-Q214 PolarHBondContact O-N 3.09Å | ||
| 213 | K | 55.5 | Low | 52.4 | Low | 169 Ų | 169 | 130.4 Ų | 130.4 | 74% | 0.735 | 67% | 0.668 | S | S | * | * | trans | -71.1 | 70.9 | 166.8 | -87.2 | -177.8 | 170.9 | -177.2 | 0 | 110.1 | V211 R215 L216 | V211-K213 PolarHBondContact O-N 3.43Å; K213-R215 VanDerWaalsContact C-N 3.27Å; K213-R215 PolarHBondContact O-N 3.21Å; K213-L216 HydrophobicContact CD-CD1 3.74Å; K213-L216 HydrophobicContact CG-CD1 4.26Å | ||
| 214 | Q | 54.1 | Low | 51.2 | Low | 168 Ų | 168 | 131.7 Ų | 131.7 | 79% | 0.785 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | 31.7 | 172.7 | -145.3 | 175.2 | 0.3 | 0 | 0 | 112.9 | Q212 | Q212-Q214 PolarHBondContact O-N 3.09Š|
| 215 | R | 48.4 | Very low | 49.6 | Very low | 224 Ų | 224 | 137.6 Ų | 137.6 | 85% | 0.845 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151 | 23.9 | 176.9 | -126.3 | -178.7 | -170.1 | -173.1 | 2.8 | 117.2 | K213 | K213-R215 VanDerWaalsContact C-N 3.27Å; K213-R215 PolarHBondContact O-N 3.21Å |
| 216 | L | 50.3 | Low | 48.4 | Very low | 104 Ų | 104 | 144.1 Ų | 144.1 | 55% | 0.545 | 74% | 0.737 | S | S | . | * | S | Bend | trans | -107.3 | -1.1 | 169.4 | -86.8 | 159.8 | 0 | 0 | 0 | 114 | K213 | K213-L216 HydrophobicContact CD-CD1 3.74Å; K213-L216 HydrophobicContact CG-CD1 4.26Å |
| 217 | K | 45.2 | Very low | 47.6 | Very low | 196 Ų | 196 | 148.5 Ų | 148.5 | 85% | 0.852 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -3.8 | 175 | -90.7 | -173.7 | 174.9 | -176.9 | 0 | 114.7 | ||
| 218 | T | 44.4 | Very low | 47.1 | Very low | 106 Ų | 106 | 148.1 Ų | 148.1 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -4.8 | -177.1 | -26.6 | 0 | 0 | 0 | 0 | 114.1 | ||
| 219 | Q | 43.8 | Very low | 46.7 | Very low | 169 Ų | 169 | 147.6 Ų | 147.6 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -108 | -14.2 | 179.5 | -103.9 | -178.1 | -9.2 | 0 | 0 | 114.9 | ||
| 220 | S | 45.3 | Very low | 46.7 | Very low | 105 Ų | 105 | 148.2 Ų | 148.2 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -84.8 | -12.7 | -177.1 | -175.5 | 0 | 0 | 0 | 0 | 114.3 | ||
| 221 | T | 43.3 | Very low | 46.5 | Very low | 117 Ų | 117 | 151.6 Ų | 151.6 | 72% | 0.718 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -98 | -7.9 | -173.3 | 6.1 | 0 | 0 | 0 | 0 | 114.6 | ||
| 222 | N | 42.4 | Very low | 46 | Very low | 152 Ų | 152 | 152.8 Ų | 152.8 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -104.7 | 8.1 | -179.3 | -70.2 | 1.2 | 0 | 0 | 0 | 113.8 | ||
| 223 | G | 46.1 | Very low | 45.4 | Very low | 62 Ų | 62 | 152.4 Ų | 152.4 | 64% | 0.639 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -109.1 | 8.1 | -166.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 224 | V | 47.7 | Very low | 44.8 | Very low | 131 Ų | 131 | 151.4 Ų | 151.4 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | -148.4 | 94.6 | 179.6 | -172.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 225 | V | 40.5 | Very low | 44.3 | Very low | 144 Ų | 144 | 150.5 Ų | 150.5 | 87% | 0.873 | 81% | 0.805 | S | S | * | * | trans | -141.2 | 101 | 146.4 | -178.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 226 | R | 38.8 | Very low | 44 | Very low | 230 Ų | 230 | 145.9 Ų | 145.9 | 87% | 0.868 | 80% | 0.802 | S | S | * | * | trans | 23.6 | 118.7 | 150.3 | -59.5 | -171.5 | -162.9 | -160.5 | 4.2 | 121.2 | ||||
| 227 | M | 44.8 | Very low | 43.6 | Very low | 176 Ų | 176 | 148.7 Ų | 148.7 | 87% | 0.867 | 82% | 0.819 | S | S | * | * | trans | -65.7 | 151.6 | 139.1 | -81.6 | 164.3 | 163.9 | 0 | 0 | 110.6 | ||||
| 228 | N | 41.5 | Very low | 43.5 | Very low | 142 Ų | 142 | 145.3 Ų | 145.3 | 76% | 0.759 | 82% | 0.817 | S | S | * | * | trans | 125.2 | 119.2 | 174.3 | -70.4 | 12.3 | 0 | 0 | 0 | 108.6 | ||||
| 229 | D | 39.2 | Very low | 43.4 | Very low | 143 Ų | 143 | 148.3 Ų | 148.3 | 77% | 0.765 | 83% | 0.83 | S | S | * | * | cis | -151.9 | 143.4 | 25.4 | -71.6 | -52.8 | 0 | 0 | 0 | 110.8 | ||||
| 230 | I | 44.8 | Very low | 43.4 | Very low | 177 Ų | 177 | 146.6 Ų | 146.6 | 91% | 0.908 | 83% | 0.833 | S | S | * | * | trans | -112.4 | 114.5 | 160.7 | -62.7 | 173.8 | 0 | 0 | 0 | 106.3 | ||||
| 231 | S | 46.3 | Very low | 43.2 | Very low | 180 Ų | 180 | 150.4 Ų | 150.4 | 100% | 1.259 | 84% | 0.842 | S | S | * | * | trans | -149.3 | 0 | 156.4 | 64.6 | 0 | 0 | 0 | 0 | 108.6 |
Retrieved 231 of 231 residues in 183.7 ms
(Link to these results)