| 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 | 32.6 | Very low | 67.8 | Low | 228 Ų | 228 | 112.4 Ų | 112.4 | 100% | 1.123 | 53% | 0.53 | S | S | * | . | 0 | 113.8 | 0 | -104.4 | 161.2 | 78 | 0 | 0 | 108.8 | W3 | M1-W3 PolarHBondContact O-N 3.08Å; M1-W3 VanDerWaalsContact O-N 3.13Å | |||
| 2 | W | 36.3 | Very low | 70 | Confident | 254 Ų | 254 | 106.2 Ų | 106.2 | 96% | 0.962 | 51% | 0.506 | S | S | * | . | trans | -72.5 | 101.8 | 175.6 | -81.5 | 68.1 | 0 | 0 | 0 | 109.1 | C4 | W2-C4 VanDerWaalsContact C-N 3.29Å; W2-C4 PolarHBondContact O-N 3.19Å | ||
| 3 | W | 43.1 | Very low | 71.9 | Confident | 226 Ų | 226 | 104.2 Ų | 104.2 | 86% | 0.856 | 50% | 0.499 | S | S | * | . | trans | -73 | 83.4 | 170.8 | -110.4 | -36.9 | 0 | 0 | 0 | 109 | M1 R5 | M1-W3 PolarHBondContact O-N 3.08Å; M1-W3 VanDerWaalsContact O-N 3.13Å; W3-R5 PolarHBondContact O-N 3.2Å; W3-R5 VanDerWaalsContact O-N 3.12Å | ||
| 4 | C | 48.7 | Very low | 73.6 | Confident | 92 Ų | 92 | 97.9 Ų | 97.9 | 62% | 0.622 | 47% | 0.469 | S | S | * | . | trans | -67.1 | 110.8 | 169.2 | -77.8 | 0 | 0 | 0 | 0 | 108.5 | W2 P6 | W2-C4 VanDerWaalsContact C-N 3.29Å; W2-C4 PolarHBondContact O-N 3.19Å; C4-P6 WeakPolarHBondContact O-CD 3.16Å | ||
| 5 | R | 72.2 | Confident | 75.2 | Confident | 120 Ų | 120 | 91.7 Ų | 91.7 | 45% | 0.453 | 44% | 0.441 | S | S | . | . | trans | -85.8 | 98.8 | 171.9 | -64.2 | -175.1 | -178 | 178.6 | 6.9 | 107.8 | W3 L7 V8 R214 | W3-R5 PolarHBondContact O-N 3.2Å; W3-R5 VanDerWaalsContact O-N 3.12Å; R5-L7 VanDerWaalsContact C-N 3.25Å; R5-L7 PolarHBondContact O-N 3.36Å; R5-L7 VanDerWaalsContact O-N 3.15Å; R5-V8 HydrophobicContact CB-CB 4.27Å; R5-V8 HydrophobicContact CB-CG2 3.63Å; R5-V8 WeakPolarHBondContact O-CB 3.37Å; R5-V8 PolarHBondContact O-N 3.23Å; R5-R214 PolarHBondContact NH1-O 2.89Å | ||
| 6 | P | 74.1 | Confident | 76.5 | Confident | 105 Ų | 105 | 91.3 Ų | 91.3 | 68% | 0.682 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -59.4 | -34.6 | -167.3 | 21.8 | -33.3 | 0 | 0 | 0 | 113.2 | C4 V8 L9 | C4-P6 WeakPolarHBondContact O-CD 3.16Å; P6-V8 VanDerWaalsContact C-N 3.3Å; P6-V8 PolarHBondContact O-N 3.19Å; P6-L9 PolarHBondContact O-N 3.05Å |
| 7 | L | 80.1 | Confident | 77.8 | Confident | 54 Ų | 54 | 94.9 Ų | 94.9 | 28% | 0.283 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -71.6 | -20 | -179.1 | -65.6 | 168.8 | 0 | 0 | 0 | 114.2 | R5 L9 L10 L84 F218 | R5-L7 VanDerWaalsContact C-N 3.25Å; R5-L7 PolarHBondContact O-N 3.36Å; R5-L7 VanDerWaalsContact O-N 3.15Å; L7-L9 VanDerWaalsContact C-N 3.31Å; L7-L10 WeakPolarHBondContact O-CB 3.44Å; L7-L10 PolarHBondContact O-N 3.04Å; L7-L84 HydrophobicContact CD2-CD1 4.09Å; L7-F218 HydrophobicContact CD1-CB 3.54Å; L7-F218 HydrophobicContact CD1-CD2 4.17Å; L7-F218 HydrophobicContact CD1-CG 4.19Å |
| 8 | V | 85.2 | Confident | 78.9 | Confident | 28 Ų | 28 | 90 Ų | 90 | 17% | 0.17 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -71.2 | -32.5 | 175.3 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | R5 P6 L10 A210 F213 R214 | R5-V8 HydrophobicContact CB-CB 4.27Å; R5-V8 HydrophobicContact CB-CG2 3.63Å; R5-V8 WeakPolarHBondContact O-CB 3.37Å; R5-V8 PolarHBondContact O-N 3.23Å; P6-V8 VanDerWaalsContact C-N 3.3Å; P6-V8 PolarHBondContact O-N 3.19Å; V8-L10 VanDerWaalsContact C-N 3.31Å; V8-A210 HydrophobicContact CG1-CB 4.37Å; V8-A210 WeakPolarHBondContact CG1-O 3.48Å; V8-A210 WeakPolarHBondContact O-CB 3.46Å; V8-F213 HydrophobicContact CG2-CB 4.09Å; V8-R214 HydrophobicContact CG1-CB 4.46Å |
| 9 | L | 87.5 | Confident | 79.9 | Confident | 86 Ų | 86 | 86.3 Ų | 86.3 | 45% | 0.45 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -81.2 | -12.5 | 179.6 | -60.4 | 178 | 0 | 0 | 0 | 112.6 | P6 L7 P12 I13 | P6-L9 PolarHBondContact O-N 3.05Å; L7-L9 VanDerWaalsContact C-N 3.31Å; L9-P12 WeakPolarHBondContact O-CD 3.19Å; L9-P12 VanDerWaalsContact O-CG 3.29Å; L9-P12 WeakPolarHBondContact O-CG 3.31Å; L9-I13 HydrophobicContact CB-CD1 3.63Å; L9-I13 HydrophobicContact CB-CG1 4.22Å; L9-I13 VanDerWaalsContact O-CB 3.24Å; L9-I13 WeakPolarHBondContact O-CB 3.26Å; L9-I13 WeakPolarHBondContact O-CG1 3.16Å; L9-I13 PolarHBondContact O-N 3.29Å |
| 10 | L | 91.6 | Very high | 80.8 | Confident | 43 Ų | 43 | 84.8 Ų | 84.8 | 23% | 0.225 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -57.6 | -51.8 | -176.7 | 177.7 | 69.9 | 0 | 0 | 0 | 112.8 | L7 V8 L14 V80 V81 L84 | L7-L10 WeakPolarHBondContact O-CB 3.44Å; L7-L10 PolarHBondContact O-N 3.04Å; V8-L10 VanDerWaalsContact C-N 3.31Å; L10-L14 WeakPolarHBondContact O-CB 3.05Å; L10-L14 PolarHBondContact O-N 2.94Å; L10-V80 HydrophobicContact CD2-CG1 3.93Å; L10-V81 HydrophobicContact CD2-CG2 3.73Å; L10-V81 HydrophobicContact CG-CG2 3.85Å; L10-L84 HydrophobicContact CD2-CD1 3.92Å |
| 11 | P | 94.6 | Very high | 81.6 | Confident | 0 Ų | 0 | 81.2 Ų | 81.2 | 0% | 0 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 179 | -20.2 | 30.9 | 0 | 0 | 0 | 115.7 | S15 V81 I206 F209 F213 | P11-S15 WeakPolarHBondContact O-CB 3.18Å; P11-S15 PolarHBondContact O-N 3Å; P11-S15 PolarHBondContact O-OG 3.12Å; P11-V81 HydrophobicContact CB-CG2 4.46Å; P11-V81 HydrophobicContact CG-CG1 4.09Å; P11-V81 HydrophobicContact CG-CG2 4.01Å; P11-I206 HydrophobicContact CB-CG2 4.16Å; P11-I206 VanDerWaalsContact CB-O 3.28Å; P11-I206 WeakPolarHBondContact CB-O 3.44Å; P11-F209 HydrophobicContact CB-CB 4.37Å; P11-F209 HydrophobicContact CG-CB 4.05Å; P11-F213 HydrophobicContact CG-CD2 3.89Å; P11-F213 HydrophobicContact CG-CE2 3.72Å |
| 12 | P | 94.6 | Very high | 84.7 | Confident | 38 Ų | 38 | 70.6 Ų | 70.6 | 25% | 0.247 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -74.6 | -34.8 | 178.6 | 25.5 | -34 | 0 | 0 | 0 | 112.7 | L9 S15 T16 A210 | L9-P12 WeakPolarHBondContact O-CD 3.19Å; L9-P12 VanDerWaalsContact O-CG 3.29Å; L9-P12 WeakPolarHBondContact O-CG 3.31Å; P12-S15 PolarHBondContact O-N 3.13Å; P12-T16 WeakPolarHBondContact O-CB 3.21Å; P12-T16 VanDerWaalsContact O-CG2 3.3Å; P12-T16 WeakPolarHBondContact O-CG2 3.39Å; P12-T16 PolarHBondContact O-N 3.25Å; P12-T16 PolarHBondContact O-OG1 3.06Å; P12-A210 HydrophobicContact CG-CB 4.15Å |
| 13 | I | 94.7 | Very high | 87.5 | Confident | 81 Ų | 81 | 63.1 Ų | 63.1 | 42% | 0.415 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.6 | -53.4 | 172.2 | -71.5 | 172.8 | 0 | 0 | 0 | 109 | L9 S15 T16 F17 | L9-I13 HydrophobicContact CB-CD1 3.63Å; L9-I13 HydrophobicContact CB-CG1 4.22Å; L9-I13 VanDerWaalsContact O-CB 3.24Å; L9-I13 WeakPolarHBondContact O-CB 3.26Å; L9-I13 WeakPolarHBondContact O-CG1 3.16Å; L9-I13 PolarHBondContact O-N 3.29Å; I13-S15 VanDerWaalsContact C-N 3.27Å; I13-S15 PolarHBondContact O-N 2.59Å; I13-T16 PolarHBondContact O-N 3.05Å; I13-T16 PolarHBondContact O-OG1 3.28Å; I13-F17 HydrophobicContact CG2-CD2 3.61Å; I13-F17 HydrophobicContact CG2-CE2 3.74Å; I13-F17 WeakPolarHBondContact O-CB 3.42Å; I13-F17 VanDerWaalsContact O-CD2 3.26Å; I13-F17 WeakPolarHBondContact O-CD2 3.19Å; I13-F17 PolarHBondContact O-N 3.31Å |
| 14 | L | 95.6 | Very high | 90.1 | Very high | 15 Ų | 15 | 55.8 Ų | 55.8 | 8% | 0.079 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -47.2 | -53.7 | 174 | 168.9 | 60 | 0 | 0 | 0 | 111.3 | L10 T16 F17 T18 T74 A77 A78 V81 I206 | L10-L14 WeakPolarHBondContact O-CB 3.05Å; L10-L14 PolarHBondContact O-N 2.94Å; L14-T16 PolarHBondContact O-N 3.15Å; L14-F17 PolarHBondContact O-N 3.35Å; L14-T18 WeakPolarHBondContact O-CB 3.24Å; L14-T18 PolarHBondContact O-N 2.92Å; L14-T18 PolarHBondContact O-OG1 3.31Å; L14-T74 HydrophobicContact CD1-CG2 3.9Å; L14-A77 HydrophobicContact CD1-CB 3.57Å; L14-A77 HydrophobicContact CD2-CB 4.12Å; L14-A77 HydrophobicContact CG-CB 4.31Å; L14-A78 HydrophobicContact CD2-CB 4.09Å; L14-V81 HydrophobicContact CD2-CG2 4.34Å; L14-I206 HydrophobicContact CD2-CG2 4.06Å |
| 15 | S | 97.2 | Very high | 92.4 | Very high | 6 Ų | 6 | 51.4 Ų | 51.4 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.1 | -41 | -174.2 | -59.1 | 0 | 0 | 0 | 0 | 113.4 | P11 P12 I13 A19 L203 S207 | P11-S15 WeakPolarHBondContact O-CB 3.18Å; P11-S15 PolarHBondContact O-N 3Å; P11-S15 PolarHBondContact O-OG 3.12Å; P12-S15 PolarHBondContact O-N 3.13Å; I13-S15 VanDerWaalsContact C-N 3.27Å; I13-S15 PolarHBondContact O-N 2.59Å; S15-A19 VanDerWaalsContact O-CB 3.28Å; S15-A19 WeakPolarHBondContact O-CB 3.36Å; S15-A19 PolarHBondContact O-N 3.36Å; S15-L203 WeakPolarHBondContact CB-O 3.29Å; S15-L203 PolarHBondContact OG-O 2.77Å; S15-S207 WeakPolarHBondContact CB-OG 3.31Å; S15-S207 PolarHBondContact OG-OG 2.87Å |
| 16 | T | 96.8 | Very high | 93.5 | Very high | 85 Ų | 85 | 46.4 Ų | 46.4 | 52% | 0.521 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -69.8 | -44.1 | 178.8 | 49.8 | 0 | 0 | 0 | 0 | 111.7 | P12 I13 L14 A19 A20 | P12-T16 WeakPolarHBondContact O-CB 3.21Å; P12-T16 VanDerWaalsContact O-CG2 3.3Å; P12-T16 WeakPolarHBondContact O-CG2 3.39Å; P12-T16 PolarHBondContact O-N 3.25Å; P12-T16 PolarHBondContact O-OG1 3.06Å; I13-T16 PolarHBondContact O-N 3.05Å; I13-T16 PolarHBondContact O-OG1 3.28Å; L14-T16 PolarHBondContact O-N 3.15Å; T16-A19 PolarHBondContact O-N 3.19Å; T16-A20 VanDerWaalsContact O-CB 3.28Å; T16-A20 WeakPolarHBondContact O-CB 3.35Å; T16-A20 PolarHBondContact O-N 3.08Å |
| 17 | F | 97.1 | Very high | 94.5 | Very high | 153 Ų | 153 | 47.2 Ų | 47.2 | 67% | 0.671 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -65.3 | -43.3 | 176.7 | -85.3 | -94.8 | 0 | 0 | 0 | 111.9 | I13 L14 A20 G21 | I13-F17 HydrophobicContact CG2-CD2 3.61Å; I13-F17 HydrophobicContact CG2-CE2 3.74Å; I13-F17 WeakPolarHBondContact O-CB 3.42Å; I13-F17 VanDerWaalsContact O-CD2 3.26Å; I13-F17 WeakPolarHBondContact O-CD2 3.19Å; I13-F17 PolarHBondContact O-N 3.31Å; L14-F17 PolarHBondContact O-N 3.35Å; F17-A20 PolarHBondContact O-N 3.06Å; F17-G21 PolarHBondContact O-N 3.2Å |
| 18 | T | 98 | Very high | 95.2 | Very high | 6 Ų | 6 | 46.3 Ų | 46.3 | 4% | 0.037 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.7 | -48 | 175 | -55.2 | 0 | 0 | 0 | 0 | 111.1 | L14 A20 G21 L22 I70 T74 L203 | L14-T18 WeakPolarHBondContact O-CB 3.24Å; L14-T18 PolarHBondContact O-N 2.92Å; L14-T18 PolarHBondContact O-OG1 3.31Å; T18-A20 PolarHBondContact O-N 3.13Å; T18-G21 PolarHBondContact O-N 3.06Å; T18-L22 HydrophobicContact CG2-CD1 4.11Å; T18-L22 HydrophobicContact CG2-CG 4.37Å; T18-L22 VanDerWaalsContact O-CG 3.3Å; T18-L22 WeakPolarHBondContact O-CG 3.47Å; T18-L22 PolarHBondContact O-N 3.1Å; T18-I70 HydrophobicContact CG2-CG2 4.3Å; T18-T74 HydrophobicContact CG2-CG2 3.77Å; T18-T74 VanDerWaalsContact CG2-OG1 3.3Å; T18-T74 WeakPolarHBondContact CG2-OG1 3.33Å; T18-T74 VanDerWaalsContact OG1-CG2 3.32Å; T18-T74 WeakPolarHBondContact OG1-CG2 3.35Å; T18-T74 PolarHBondContact OG1-OG1 3.05Å; T18-L203 HydrophobicContact CG2-CD1 4.03Å; T18-L203 HydrophobicContact CG2-CD2 3.88Å |
| 19 | A | 98.1 | Very high | 95.6 | Very high | 19 Ų | 19 | 45.1 Ų | 45.1 | 16% | 0.157 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60 | -49 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | S15 T16 G21 L22 W23 M200 L203 | S15-A19 VanDerWaalsContact O-CB 3.28Å; S15-A19 WeakPolarHBondContact O-CB 3.36Å; S15-A19 PolarHBondContact O-N 3.36Å; T16-A19 PolarHBondContact O-N 3.19Å; A19-G21 PolarHBondContact O-N 3.25Å; A19-L22 PolarHBondContact O-N 3.17Å; A19-W23 PolarHBondContact O-N 2.94Å; A19-W23 VanDerWaalsContact O-N 3.08Å; A19-M200 HydrophobicContact CB-CE 4.33Å; A19-M200 HydrophobicContact CB-SD 4Å; A19-L203 HydrophobicContact CB-CD1 3.88Å |
| 20 | A | 97.8 | Very high | 95.8 | Very high | 56 Ų | 56 | 45.7 Ų | 45.7 | 46% | 0.463 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.8 | -45.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T16 F17 T18 L22 W23 V24 | T16-A20 VanDerWaalsContact O-CB 3.28Å; T16-A20 WeakPolarHBondContact O-CB 3.35Å; T16-A20 PolarHBondContact O-N 3.08Å; F17-A20 PolarHBondContact O-N 3.06Å; T18-A20 PolarHBondContact O-N 3.13Å; A20-L22 PolarHBondContact O-N 3.37Å; A20-W23 WeakPolarHBondContact O-CB 3.27Å; A20-W23 PolarHBondContact O-N 3.42Å; A20-V24 WeakPolarHBondContact O-CG2 3.39Å; A20-V24 PolarHBondContact O-N 3.2Å |
| 21 | G | 97.4 | Very high | 95.8 | Very high | 11 Ų | 11 | 51.3 Ų | 51.3 | 11% | 0.113 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.4 | -46 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F17 T18 A19 W23 V24 V25 I70 | F17-G21 PolarHBondContact O-N 3.2Å; T18-G21 PolarHBondContact O-N 3.06Å; A19-G21 PolarHBondContact O-N 3.25Å; G21-W23 VanDerWaalsContact C-N 3.3Å; G21-W23 PolarHBondContact O-N 3.25Å; G21-V24 WeakPolarHBondContact O-CB 3.38Å; G21-V24 PolarHBondContact O-N 3.23Å; G21-V24 VanDerWaalsContact O-N 3.12Å; G21-V25 WeakPolarHBondContact O-CG2 3.43Å; G21-V25 PolarHBondContact O-N 3.31Å; G21-I70 WeakPolarHBondContact O-CD1 3.46Å |
| 22 | L | 97.4 | Very high | 95.5 | Very high | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.2 | -36.2 | 177.6 | -68.5 | 177.4 | 0 | 0 | 0 | 112.3 | T18 A19 A20 V25 Y26 I54 F67 I70 L71 V199 | T18-L22 HydrophobicContact CG2-CD1 4.11Å; T18-L22 HydrophobicContact CG2-CG 4.37Å; T18-L22 VanDerWaalsContact O-CG 3.3Å; T18-L22 WeakPolarHBondContact O-CG 3.47Å; T18-L22 PolarHBondContact O-N 3.1Å; A19-L22 PolarHBondContact O-N 3.17Å; A20-L22 PolarHBondContact O-N 3.37Å; L22-V25 PolarHBondContact O-N 2.91Å; L22-Y26 PolarHBondContact O-N 2.95Å; L22-I54 HydrophobicContact CD2-CG2 4.06Å; L22-F67 HydrophobicContact CD2-CD2 3.93Å; L22-F67 HydrophobicContact CD2-CE2 3.8Å; L22-I70 HydrophobicContact CD2-CG2 4.49Å; L22-L71 HydrophobicContact CD2-CD2 4.33Å; L22-V199 HydrophobicContact CD1-CG1 3.62Å |
| 23 | W | 97.1 | Very high | 95.2 | Very high | 98 Ų | 98 | 54.1 Ų | 54.1 | 37% | 0.371 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.1 | -41.2 | 171.7 | -80.2 | 111.2 | 0 | 0 | 0 | 112.2 | A19 A20 G21 Y26 F27 L38 W196 | A19-W23 PolarHBondContact O-N 2.94Å; A19-W23 VanDerWaalsContact O-N 3.08Å; A20-W23 WeakPolarHBondContact O-CB 3.27Å; A20-W23 PolarHBondContact O-N 3.42Å; G21-W23 VanDerWaalsContact C-N 3.3Å; G21-W23 PolarHBondContact O-N 3.25Å; W23-Y26 AromaticContact CE3-CD1 3.81Å; W23-Y26 HydrophobicContact CE3-CD1 3.81Å; W23-Y26 HydrophobicContact CE3-CE1 4.43Å; W23-Y26 AromaticContact CZ3-CD1 3.93Å; W23-Y26 HydrophobicContact CZ3-CD1 3.93Å; W23-Y26 HydrophobicContact CZ3-CE1 4.12Å; W23-Y26 WeakPolarHBondContact O-CB 3.22Å; W23-Y26 PolarHBondContact O-N 2.91Å; W23-F27 HydrophobicContact CB-CE2 4.25Å; W23-F27 HydrophobicContact CE3-CE2 4.16Å; W23-F27 HydrophobicContact CE3-CZ 4.22Å; W23-F27 WeakPolarHBondContact O-CD2 3.44Å; W23-F27 PolarHBondContact O-N 3.38Å; W23-L38 HydrophobicContact CH2-CD1 3.73Å; W23-L38 HydrophobicContact CZ3-CD1 3.61Å; W23-W196 HydrophobicContact CD2-CH2 4.16Å; W23-W196 AromaticContact CD2-CZ3 3.86Å; W23-W196 HydrophobicContact CD2-CZ3 3.86Å; W23-W196 AromaticContact CE2-CZ3 3.74Å; W23-W196 HydrophobicContact CE3-CH2 4.16Å; W23-W196 HydrophobicContact CE3-CZ3 4.23Å; W23-W196 HydrophobicContact CG-CZ3 4.3Å; W23-W196 HydrophobicContact CH2-CZ3 4.39Å; W23-W196 HydrophobicContact CZ2-CE3 4.17Å; W23-W196 HydrophobicContact CZ2-CZ3 4.03Å; W23-W196 HydrophobicContact CZ3-CH2 4.47Å; W23-W196 HydrophobicContact CZ3-CZ3 4.48Å |
| 24 | V | 96.6 | Very high | 94.8 | Very high | 72 Ų | 72 | 54.1 Ų | 54.1 | 44% | 0.436 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.6 | -47.5 | 174.1 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | A20 G21 Y26 F27 I28 | A20-V24 WeakPolarHBondContact O-CG2 3.39Å; A20-V24 PolarHBondContact O-N 3.2Å; G21-V24 WeakPolarHBondContact O-CB 3.38Å; G21-V24 PolarHBondContact O-N 3.23Å; G21-V24 VanDerWaalsContact O-N 3.12Å; V24-Y26 VanDerWaalsContact C-N 3.29Å; V24-Y26 PolarHBondContact O-N 3.26Å; V24-F27 PolarHBondContact O-N 3.04Å; V24-F27 VanDerWaalsContact O-N 3.14Å; V24-I28 HydrophobicContact CG1-CD1 3.75Å; V24-I28 HydrophobicContact CG1-CG1 4.35Å; V24-I28 VanDerWaalsContact O-CG1 3.31Å; V24-I28 WeakPolarHBondContact O-CG1 3.41Å; V24-I28 PolarHBondContact O-N 2.94Å |
| 25 | V | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55.9 | -45.2 | 175.4 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | G21 L22 I28 A29 A63 F67 I70 | G21-V25 WeakPolarHBondContact O-CG2 3.43Å; G21-V25 PolarHBondContact O-N 3.31Å; L22-V25 PolarHBondContact O-N 2.91Å; V25-I28 PolarHBondContact O-N 3.37Å; V25-A29 WeakPolarHBondContact O-CB 3.3Å; V25-A29 PolarHBondContact O-N 3.45Å; V25-A63 HydrophobicContact CG1-CB 4.29Å; V25-F67 HydrophobicContact CG1-CB 3.97Å; V25-F67 HydrophobicContact CG1-CD2 4.18Å; V25-F67 HydrophobicContact CG1-CG 4.48Å; V25-F67 HydrophobicContact CG2-CB 4.16Å; V25-I70 HydrophobicContact CG2-CD1 3.69Å |
| 26 | Y | 95.6 | Very high | 94 | Very high | 14 Ų | 14 | 55 Ų | 55 | 6% | 0.055 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.7 | -48 | 175.6 | 166.6 | -105.7 | 0 | 0 | 0 | 112.4 | L22 W23 V24 I28 A29 R30 V35 P37 L38 P52 T57 W196 | L22-Y26 PolarHBondContact O-N 2.95Å; W23-Y26 AromaticContact CE3-CD1 3.81Å; W23-Y26 HydrophobicContact CE3-CD1 3.81Å; W23-Y26 HydrophobicContact CE3-CE1 4.43Å; W23-Y26 AromaticContact CZ3-CD1 3.93Å; W23-Y26 HydrophobicContact CZ3-CD1 3.93Å; W23-Y26 HydrophobicContact CZ3-CE1 4.12Å; W23-Y26 WeakPolarHBondContact O-CB 3.22Å; W23-Y26 PolarHBondContact O-N 2.91Å; V24-Y26 VanDerWaalsContact C-N 3.29Å; V24-Y26 PolarHBondContact O-N 3.26Å; Y26-I28 PolarHBondContact O-N 3.49Å; Y26-A29 PolarHBondContact O-N 3.49Å; Y26-R30 VanDerWaalsContact O-CB 3.25Å; Y26-R30 WeakPolarHBondContact O-CB 3.48Å; Y26-R30 PolarHBondContact O-N 3.27Å; Y26-V35 HydrophobicContact CD2-CG2 4.23Å; Y26-V35 HydrophobicContact CE2-CG2 4.13Å; Y26-P37 WeakPolarHBondContact OH-CA 3.28Å; Y26-L38 HydrophobicContact CD1-CD1 4.43Å; Y26-L38 HydrophobicContact CE1-CD1 3.92Å; Y26-L38 HydrophobicContact CE2-CD1 4.05Å; Y26-L38 HydrophobicContact CE2-CG 4.21Å; Y26-L38 PolarHBondContact OH-N 2.95Å; Y26-L38 VanDerWaalsContact OH-N 3.11Å; Y26-P52 HydrophobicContact CD2-CB 4.18Å; Y26-P52 HydrophobicContact CE2-CB 3.63Å; Y26-T57 HydrophobicContact CD2-CG2 3.99Å; Y26-W196 HydrophobicContact CD2-CZ2 4.23Å; Y26-W196 HydrophobicContact CG-CH2 4.34Å; Y26-W196 HydrophobicContact CG-CZ2 4.11Å |
| 27 | F | 95.3 | Very high | 93.5 | Very high | 122 Ų | 122 | 52.7 Ų | 52.7 | 54% | 0.535 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.2 | -38.3 | 179.9 | -71.1 | -58.4 | 0 | 0 | 0 | 112.5 | W23 V24 R30 H31 | W23-F27 HydrophobicContact CB-CE2 4.25Å; W23-F27 HydrophobicContact CE3-CE2 4.16Å; W23-F27 HydrophobicContact CE3-CZ 4.22Å; W23-F27 WeakPolarHBondContact O-CD2 3.44Å; W23-F27 PolarHBondContact O-N 3.38Å; V24-F27 PolarHBondContact O-N 3.04Å; V24-F27 VanDerWaalsContact O-N 3.14Å; F27-R30 PolarHBondContact O-N 3.35Å; F27-H31 VanDerWaalsContact O-CB 3.27Å; F27-H31 WeakPolarHBondContact O-CB 3.36Å; F27-H31 PolarHBondContact O-N 3.18Å |
| 28 | I | 94.5 | Very high | 92.7 | Very high | 36 Ų | 36 | 46.9 Ų | 46.9 | 19% | 0.185 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.5 | -49.9 | 174.3 | -65.4 | 167.9 | 0 | 0 | 0 | 110.3 | V24 V25 Y26 R30 H31 N32 P62 A63 Y66 | V24-I28 HydrophobicContact CG1-CD1 3.75Å; V24-I28 HydrophobicContact CG1-CG1 4.35Å; V24-I28 VanDerWaalsContact O-CG1 3.31Å; V24-I28 WeakPolarHBondContact O-CG1 3.41Å; V24-I28 PolarHBondContact O-N 2.94Å; V25-I28 PolarHBondContact O-N 3.37Å; Y26-I28 PolarHBondContact O-N 3.49Å; I28-R30 VanDerWaalsContact C-N 3.25Å; I28-R30 PolarHBondContact O-N 3.34Å; I28-H31 PolarHBondContact O-N 3.36Å; I28-N32 PolarHBondContact O-N 2.9Å; I28-N32 PolarHBondContact O-OD1 3.31Å; I28-P62 HydrophobicContact CG2-CG 3.96Å; I28-A63 HydrophobicContact CB-CB 4.28Å; I28-A63 HydrophobicContact CG2-CB 3.87Å; I28-Y66 HydrophobicContact CD1-CD2 3.8Å; I28-Y66 HydrophobicContact CD1-CE2 3.99Å; I28-Y66 HydrophobicContact CD1-CG 4.23Å |
| 29 | A | 92.9 | Very high | 91.8 | Very high | 3 Ų | 3 | 52.7 Ų | 52.7 | 3% | 0.025 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.3 | -36.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V25 Y26 K34 V35 T57 A63 | V25-A29 WeakPolarHBondContact O-CB 3.3Å; V25-A29 PolarHBondContact O-N 3.45Å; Y26-A29 PolarHBondContact O-N 3.49Å; A29-K34 WeakPolarHBondContact O-CB 2.99Å; A29-K34 PolarHBondContact O-N 3.33Å; A29-V35 HydrophobicContact CB-CG1 4.26Å; A29-V35 HydrophobicContact CB-CG2 3.84Å; A29-T57 HydrophobicContact CB-CG2 4.25Å; A29-A63 HydrophobicContact CB-CB 4.17Å |
| 30 | R | 91.5 | Very high | 90.5 | Very high | 97 Ų | 97 | 53 Ų | 53 | 37% | 0.366 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -69.9 | -43.8 | 177.8 | 175.1 | 59 | -172.4 | 92.5 | -3.5 | 112.2 | Y26 F27 I28 N32 G33 V35 | Y26-R30 VanDerWaalsContact O-CB 3.25Å; Y26-R30 WeakPolarHBondContact O-CB 3.48Å; Y26-R30 PolarHBondContact O-N 3.27Å; F27-R30 PolarHBondContact O-N 3.35Å; I28-R30 VanDerWaalsContact C-N 3.25Å; I28-R30 PolarHBondContact O-N 3.34Å; R30-N32 PolarHBondContact O-N 3.29Å; R30-G33 PolarHBondContact O-N 3.22Å; R30-V35 HydrophobicContact CB-CG2 4.06Å; R30-V35 WeakPolarHBondContact CD-O 3.36Å |
| 31 | H | 92.1 | Very high | 89 | Confident | 161 Ų | 161 | 54.6 Ų | 54.6 | 75% | 0.745 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -61.3 | -37.7 | 177.8 | 179.2 | -89.4 | 0 | 0 | 0 | 111 | F27 I28 G33 | F27-H31 VanDerWaalsContact O-CB 3.27Å; F27-H31 WeakPolarHBondContact O-CB 3.36Å; F27-H31 PolarHBondContact O-N 3.18Å; I28-H31 PolarHBondContact O-N 3.36Å; H31-G33 PolarHBondContact O-N 3.03Å |
| 32 | N | 89.5 | Confident | 87.3 | Confident | 72 Ų | 72 | 59.4 Ų | 59.4 | 39% | 0.385 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 11.4 | 179.8 | -67.1 | 10.8 | 0 | 0 | 0 | 114 | I28 R30 K34 P62 | I28-N32 PolarHBondContact O-N 2.9Å; I28-N32 PolarHBondContact O-OD1 3.31Å; R30-N32 PolarHBondContact O-N 3.29Å; N32-K34 HydrophobicContact CB-CG 4.24Å; N32-K34 PolarHBondContact O-N 2.9Å; N32-P62 WeakPolarHBondContact ND2-CD 3.46Å |
| 33 | G | 86.6 | Confident | 85.2 | Confident | 25 Ų | 25 | 68.4 Ų | 68.4 | 26% | 0.258 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 28.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R30 H31 | R30-G33 PolarHBondContact O-N 3.22Å; H31-G33 PolarHBondContact O-N 3.03Å |
| 34 | K | 87.3 | Confident | 83.1 | Confident | 81 Ų | 81 | 72 Ų | 72 | 35% | 0.352 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -92.6 | -30.8 | 178.6 | -60.6 | -61.8 | -174.5 | 171.5 | 0 | 112.5 | A29 N32 Y50 F60 | A29-K34 WeakPolarHBondContact O-CB 2.99Å; A29-K34 PolarHBondContact O-N 3.33Å; N32-K34 HydrophobicContact CB-CG 4.24Å; N32-K34 PolarHBondContact O-N 2.9Å; K34-Y50 WeakPolarHBondContact O-CD2 3.48Å; K34-Y50 PolarHBondContact O-N 2.99Å; K34-F60 HydrophobicContact CB-CD2 4.21Å; K34-F60 HydrophobicContact CD-CB 4.41Å; K34-F60 HydrophobicContact CD-CD2 3.92Å; K34-F60 HydrophobicContact CD-CE2 4.43Å; K34-F60 HydrophobicContact CD-CG 4.17Å; K34-F60 HydrophobicContact CG-CB 4.4Å; K34-F60 HydrophobicContact CG-CD2 4.12Å; K34-F60 HydrophobicContact CG-CG 4.5Å |
| 35 | V | 88.3 | Confident | 80.8 | Confident | 1 Ų | 1 | 76.3 Ų | 76.3 | 1% | 0.006 | 37% | 0.373 | C | S | . | . | B | Isolated β-bridge | trans | -131.6 | 149.8 | -177.8 | -59.6 | 0 | 0 | 0 | 0 | 113 | Y26 A29 R30 Y50 P52 T57 | Y26-V35 HydrophobicContact CD2-CG2 4.23Å; Y26-V35 HydrophobicContact CE2-CG2 4.13Å; A29-V35 HydrophobicContact CB-CG1 4.26Å; A29-V35 HydrophobicContact CB-CG2 3.84Å; R30-V35 HydrophobicContact CB-CG2 4.06Å; R30-V35 WeakPolarHBondContact CD-O 3.36Å; V35-Y50 CarbonylContact C-O 3.59Å; V35-Y50 VanDerWaalsContact CA-O 3.25Å; V35-Y50 WeakPolarHBondContact CA-O 3.37Å; V35-P52 HydrophobicContact CB-CB 4.2Å; V35-P52 HydrophobicContact CG2-CB 4.41Å; V35-T57 HydrophobicContact CG1-CG2 4.07Å; V35-T57 HydrophobicContact CG2-CG2 4.24Å |
| 36 | L | 87.1 | Confident | 78.6 | Confident | 38 Ų | 38 | 84.7 Ų | 84.7 | 20% | 0.199 | 42% | 0.419 | C | S | . | . | trans | -72.3 | 159.6 | 176.1 | -72.3 | 164.3 | 0 | 0 | 0 | 112.7 | E49 Y50 P52 | L36-E49 HydrophobicContact CD2-CB 4.24Å; L36-E49 WeakPolarHBondContact CD2-OE2 3.37Å; L36-E49 HydrophobicContact CG-CB 4.06Å; L36-Y50 PolarHBondContact N-O 3.4Å; L36-P52 VanDerWaalsContact O-CB 3.24Å; L36-P52 WeakPolarHBondContact O-CB 3.23Å; L36-P52 VanDerWaalsContact O-CG 3.27Å; L36-P52 WeakPolarHBondContact O-CG 3.28Å | ||
| 37 | P | 86.2 | Confident | 76.8 | Confident | 37 Ų | 37 | 86.4 Ų | 86.4 | 24% | 0.24 | 44% | 0.44 | C | S | . | . | trans | -69.3 | 142.5 | 170.8 | 21.7 | -23.4 | 0 | 0 | 0 | 112.3 | Y26 T39 S40 | Y26-P37 WeakPolarHBondContact OH-CA 3.28Å; P37-T39 PolarHBondContact O-N 3.48Å; P37-T39 VanDerWaalsContact O-N 3.17Å; P37-S40 WeakPolarHBondContact O-CB 3.41Å; P37-S40 PolarHBondContact O-N 3.49Å; P37-S40 PolarHBondContact O-OG 2.92Å | ||
| 38 | L | 81.4 | Confident | 75.4 | Confident | 32 Ų | 32 | 85.6 Ų | 85.6 | 17% | 0.168 | 45% | 0.45 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -23.9 | 179.6 | -83.7 | 152.3 | 0 | 0 | 0 | 114 | W23 Y26 P52 V192 R193 | W23-L38 HydrophobicContact CH2-CD1 3.73Å; W23-L38 HydrophobicContact CZ3-CD1 3.61Å; Y26-L38 HydrophobicContact CD1-CD1 4.43Å; Y26-L38 HydrophobicContact CE1-CD1 3.92Å; Y26-L38 HydrophobicContact CE2-CD1 4.05Å; Y26-L38 HydrophobicContact CE2-CG 4.21Å; Y26-L38 PolarHBondContact OH-N 2.95Å; Y26-L38 VanDerWaalsContact OH-N 3.11Å; L38-P52 HydrophobicContact CD2-CG 4.23Å; L38-P52 HydrophobicContact CG-CB 4.45Å; L38-P52 HydrophobicContact CG-CG 4.13Å; L38-V192 HydrophobicContact CD2-CG1 3.96Å; L38-R193 PolarHBondContact O-NH2 3.32Å |
| 39 | T | 78.6 | Confident | 74.7 | Confident | 127 Ų | 127 | 87.7 Ų | 87.7 | 78% | 0.779 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -7.2 | 178.1 | 52.8 | 0 | 0 | 0 | 0 | 113.7 | P37 A41 | P37-T39 PolarHBondContact O-N 3.48Å; P37-T39 VanDerWaalsContact O-N 3.17Å; T39-A41 PolarHBondContact O-N 2.92Å |
| 40 | S | 71.4 | Confident | 74.3 | Confident | 26 Ų | 26 | 91.4 Ų | 91.4 | 18% | 0.182 | 47% | 0.473 | C | S | . | . | trans | -63.6 | 132 | -178.6 | 58.9 | 0 | 0 | 0 | 0 | 112 | P37 | P37-S40 WeakPolarHBondContact O-CB 3.41Å; P37-S40 PolarHBondContact O-N 3.49Å; P37-S40 PolarHBondContact O-OG 2.92Å | ||
| 41 | A | 65.9 | Low | 74.1 | Confident | 89 Ų | 89 | 87.9 Ų | 87.9 | 74% | 0.736 | 46% | 0.462 | S | S | * | . | trans | -70 | 128.3 | 162 | 0 | 0 | 0 | 0 | 0 | 107.5 | T39 R43 | T39-A41 PolarHBondContact O-N 2.92Å; A41-R43 PolarHBondContact O-N 3.48Å | ||
| 42 | Y | 61.8 | Low | 74 | Confident | 112 Ų | 112 | 80.2 Ų | 80.2 | 44% | 0.439 | 43% | 0.427 | S | S | . | . | trans | -47 | 111.5 | -175 | 174.6 | -104.1 | 0 | 0 | 0 | 111 | K44 H188 M189 | Y42-K44 HydrophobicContact CE1-CB 4.21Å; Y42-H188 HydrophobicContact CD2-CB 4.29Å; Y42-H188 HydrophobicContact CE2-CB 4.21Å; Y42-H188 AromaticContact CE2-CD2 3.92Å; Y42-M189 HydrophobicContact CD2-CE 4.45Å | ||
| 43 | R | 53.6 | Low | 74 | Confident | 194 Ų | 194 | 78 Ų | 78 | 73% | 0.732 | 41% | 0.413 | S | S | * | . | trans | -123.1 | 103.9 | 168.1 | -170.5 | 173.1 | -70.2 | 172.7 | -1.6 | 105.6 | A41 K45 | A41-R43 PolarHBondContact O-N 3.48Å; R43-K45 HydrophobicContact CG-CB 4.28Å; R43-K45 PolarHBondContact O-N 3.39Å | ||
| 44 | K | 51 | Low | 74.3 | Confident | 174 Ų | 174 | 77.3 Ų | 77.3 | 76% | 0.757 | 40% | 0.403 | S | S | * | . | trans | -63 | 77.8 | 161.9 | -167.5 | 178.8 | -175.9 | -179.8 | 0 | 106.5 | Y42 | Y42-K44 HydrophobicContact CE1-CB 4.21Š| ||
| 45 | K | 48.4 | Very low | 74.5 | Confident | 161 Ų | 161 | 74.1 Ų | 74.1 | 70% | 0.7 | 39% | 0.391 | S | S | * | . | trans | -82.3 | 147.6 | 171.9 | -147.8 | -178.4 | -179 | -170.7 | 0 | 106 | R43 G47 | R43-K45 HydrophobicContact CG-CB 4.28Å; R43-K45 PolarHBondContact O-N 3.39Å; K45-G47 PolarHBondContact O-N 3.18Å | ||
| 46 | N | 51.2 | Low | 74.6 | Confident | 177 Ų | 177 | 75.9 Ų | 75.9 | 95% | 0.947 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -66.9 | 46.2 | 171.9 | -65.6 | -11.9 | 0 | 0 | 0 | 111.7 | ||
| 47 | G | 57.7 | Low | 74.9 | Confident | 50 Ų | 50 | 74.2 Ų | 74.2 | 52% | 0.515 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -112 | 156.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K45 E49 | K45-G47 PolarHBondContact O-N 3.18Å; G47-E49 PolarHBondContact O-N 2.85Å |
| 48 | S | 65.6 | Low | 75.2 | Confident | 104 Ų | 104 | 72.6 Ų | 72.6 | 73% | 0.727 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -73.5 | 5.9 | 179.1 | 47.4 | 0 | 0 | 0 | 0 | 114.9 | ||
| 49 | E | 80.4 | Confident | 75.8 | Confident | 80 Ų | 80 | 71.5 Ų | 71.5 | 37% | 0.374 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -95.5 | 131.9 | -172.2 | -59.8 | -177 | 148.4 | 0 | 0 | 111.9 | L36 G47 | L36-E49 HydrophobicContact CD2-CB 4.24Å; L36-E49 WeakPolarHBondContact CD2-OE2 3.37Å; L36-E49 HydrophobicContact CG-CB 4.06Å; G47-E49 PolarHBondContact O-N 2.85Å |
| 50 | Y | 85.8 | Confident | 76.5 | Confident | 82 Ų | 82 | 67.8 Ų | 67.8 | 32% | 0.322 | 35% | 0.348 | S | S | . | . | B | Isolated β-bridge | trans | -88.9 | 153.8 | -179.5 | -64.2 | -84.3 | 0 | 0 | 0 | 112.4 | K34 V35 L36 F56 F60 L122 | K34-Y50 WeakPolarHBondContact O-CD2 3.48Å; K34-Y50 PolarHBondContact O-N 2.99Å; V35-Y50 CarbonylContact C-O 3.59Å; V35-Y50 VanDerWaalsContact CA-O 3.25Å; V35-Y50 WeakPolarHBondContact CA-O 3.37Å; L36-Y50 PolarHBondContact N-O 3.4Å; Y50-F56 AromaticContact CD1-CD1 3.64Å; Y50-F56 HydrophobicContact CD1-CD1 3.64Å; Y50-F56 AromaticContact CD1-CE1 3.38Å; Y50-F56 HydrophobicContact CD1-CE1 3.38Å; Y50-F56 HydrophobicContact CD1-CZ 4.35Å; Y50-F56 HydrophobicContact CE1-CD1 4.43Å; Y50-F56 AromaticContact CE1-CE1 3.95Å; Y50-F56 HydrophobicContact CE1-CE1 3.95Å; Y50-F56 AromaticContact CG-CD1 3.72Å; Y50-F56 HydrophobicContact CG-CD1 3.72Å; Y50-F56 AromaticContact CG-CE1 3.98Å; Y50-F56 HydrophobicContact CG-CE1 3.98Å; Y50-F60 AromaticContact CD2-CE2 3.87Å; Y50-F60 HydrophobicContact CD2-CE2 3.87Å; Y50-F60 HydrophobicContact CD2-CZ 4.4Å; Y50-F60 AromaticContact CE2-CE2 3.58Å; Y50-F60 HydrophobicContact CE2-CE2 3.58Å; Y50-F60 AromaticContact CE2-CZ 3.65Å; Y50-F60 HydrophobicContact CE2-CZ 3.65Å; Y50-L122 HydrophobicContact CE1-CD1 4.27Å; Y50-L122 HydrophobicContact CE2-CD1 4.4Å |
| 51 | P | 86.8 | Confident | 77.5 | Confident | 23 Ų | 23 | 71 Ų | 71 | 15% | 0.149 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 141.4 | 168.2 | 23.1 | -32.1 | 0 | 0 | 0 | 110.8 | Y53 F56 M189 V192 | P51-Y53 HydrophobicContact CB-CD2 3.77Å; P51-Y53 HydrophobicContact CB-CE2 3.66Å; P51-Y53 HydrophobicContact CG-CD2 3.67Å; P51-Y53 HydrophobicContact CG-CE2 3.53Å; P51-Y53 PolarHBondContact O-N 3.48Å; P51-F56 WeakPolarHBondContact O-CB 3.41Å; P51-M189 HydrophobicContact CB-CE 3.7Å; P51-V192 HydrophobicContact CB-CG2 3.98Å |
| 52 | P | 89.8 | Confident | 78.9 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 35% | 0.352 | C | S | . | . | trans | -81.4 | 49.2 | -169.4 | 31.7 | -32.5 | 0 | 0 | 0 | 113.4 | Y26 V35 L36 L38 V192 W196 | Y26-P52 HydrophobicContact CD2-CB 4.18Å; Y26-P52 HydrophobicContact CE2-CB 3.63Å; V35-P52 HydrophobicContact CB-CB 4.2Å; V35-P52 HydrophobicContact CG2-CB 4.41Å; L36-P52 VanDerWaalsContact O-CB 3.24Å; L36-P52 WeakPolarHBondContact O-CB 3.23Å; L36-P52 VanDerWaalsContact O-CG 3.27Å; L36-P52 WeakPolarHBondContact O-CG 3.28Å; L38-P52 HydrophobicContact CD2-CG 4.23Å; L38-P52 HydrophobicContact CG-CB 4.45Å; L38-P52 HydrophobicContact CG-CG 4.13Å; P52-V192 HydrophobicContact CG-CG1 4Å; P52-V192 VanDerWaalsContact O-CG1 3.29Å; P52-V192 WeakPolarHBondContact O-CG1 3.27Å; P52-W196 PolarHBondContact O-NE1 3.47Å | ||
| 53 | Y | 90.2 | Very high | 80.5 | Confident | 25 Ų | 25 | 64.4 Ų | 64.4 | 10% | 0.098 | 33% | 0.332 | C | S | . | . | trans | -62.6 | 142.3 | 163.3 | -66.7 | -83.4 | 0 | 0 | 0 | 109.1 | P51 S55 F56 T57 H188 T191 V192 Q195 | P51-Y53 HydrophobicContact CB-CD2 3.77Å; P51-Y53 HydrophobicContact CB-CE2 3.66Å; P51-Y53 HydrophobicContact CG-CD2 3.67Å; P51-Y53 HydrophobicContact CG-CE2 3.53Å; P51-Y53 PolarHBondContact O-N 3.48Å; Y53-S55 PolarHBondContact O-N 2.94Å; Y53-F56 AromaticContact CD2-CD2 3.52Å; Y53-F56 HydrophobicContact CD2-CD2 3.52Å; Y53-F56 AromaticContact CD2-CE2 3.95Å; Y53-F56 HydrophobicContact CD2-CE2 3.95Å; Y53-F56 HydrophobicContact CD2-CG 4.5Å; Y53-F56 HydrophobicContact CE2-CD2 4.45Å; Y53-F56 HydrophobicContact CE2-CE2 4.49Å; Y53-F56 AromaticContact CG-CD2 3.97Å; Y53-F56 HydrophobicContact CG-CD2 3.97Å; Y53-F56 WeakPolarHBondContact O-CA 3.44Å; Y53-F56 WeakPolarHBondContact O-CB 3.45Å; Y53-F56 PolarHBondContact O-N 2.8Å; Y53-T57 WeakPolarHBondContact O-CG2 3.24Å; Y53-T57 PolarHBondContact O-N 3.43Å; Y53-H188 PolarHBondContact OH-ND1 2.91Å; Y53-H188 PolarHBondContact OH-O 3.12Å; Y53-T191 HydrophobicContact CE1-CG2 3.96Å; Y53-T191 WeakPolarHBondContact OH-CB 3.47Å; Y53-V192 HydrophobicContact CD1-CB 4.26Å; Y53-V192 HydrophobicContact CD1-CG2 3.78Å; Y53-V192 HydrophobicContact CD2-CG2 3.6Å; Y53-V192 HydrophobicContact CE1-CB 4.18Å; Y53-V192 HydrophobicContact CE1-CG2 3.61Å; Y53-V192 HydrophobicContact CE2-CG2 3.42Å; Y53-V192 VanDerWaalsContact CE2-CG2 3.42Å; Y53-V192 HydrophobicContact CG-CG2 3.78Å; Y53-V192 VanDerWaalsContact CZ-CG2 3.43Å; Y53-Q195 HydrophobicContact CD1-CB 4.26Å | ||
| 54 | I | 92.8 | Very high | 82.5 | Confident | 10 Ų | 10 | 55.5 Ų | 55.5 | 5% | 0.051 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -52.9 | -46 | 174.6 | -65.9 | 172 | 0 | 0 | 0 | 109.9 | L22 F56 T57 G58 F67 W196 V199 | L22-I54 HydrophobicContact CD2-CG2 4.06Å; I54-F56 VanDerWaalsContact C-N 3.26Å; I54-F56 PolarHBondContact O-N 3.44Å; I54-T57 PolarHBondContact O-N 3.24Å; I54-T57 VanDerWaalsContact O-N 3.15Å; I54-T57 PolarHBondContact O-OG1 3.34Å; I54-G58 PolarHBondContact O-N 3.03Å; I54-F67 HydrophobicContact CG2-CE2 3.54Å; I54-F67 HydrophobicContact CG2-CZ 4.16Å; I54-W196 HydrophobicContact CD1-CD2 3.72Å; I54-W196 HydrophobicContact CD1-CE3 3.89Å; I54-W196 HydrophobicContact CD1-CG 4.06Å; I54-W196 HydrophobicContact CD1-CZ2 4.45Å; I54-W196 HydrophobicContact CD1-CZ3 4.33Å; I54-W196 HydrophobicContact CG1-CD2 3.66Å; I54-W196 HydrophobicContact CG1-CE3 4.13Å; I54-W196 HydrophobicContact CG1-CG 4.12Å; I54-W196 HydrophobicContact CG1-CH2 4.12Å; I54-W196 HydrophobicContact CG1-CZ2 3.65Å; I54-W196 HydrophobicContact CG1-CZ3 4.34Å; I54-V199 HydrophobicContact CD1-CB 3.92Å; I54-V199 HydrophobicContact CD1-CG1 4.25Å; I54-V199 HydrophobicContact CD1-CG2 3.7Å |
| 55 | S | 90.3 | Very high | 84.7 | Confident | 14 Ų | 14 | 51 Ų | 51 | 10% | 0.098 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.1 | -31 | 177.1 | 50.5 | 0 | 0 | 0 | 0 | 113.4 | Y53 N59 H128 Q195 | Y53-S55 PolarHBondContact O-N 2.94Å; S55-N59 PolarHBondContact O-ND2 3.43Å; S55-H128 WeakPolarHBondContact CB-NE2 3.34Å; S55-Q195 PolarHBondContact OG-NE2 2.95Å; S55-Q195 VanDerWaalsContact OG-NE2 3.15Å |
| 56 | F | 90.9 | Very high | 87 | Confident | 39 Ų | 39 | 48.7 Ų | 48.7 | 17% | 0.171 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -73.9 | -39 | 174.5 | -88.3 | -81.4 | 0 | 0 | 0 | 112.3 | Y50 P51 Y53 I54 G58 N59 L121 L122 | Y50-F56 AromaticContact CD1-CD1 3.64Å; Y50-F56 HydrophobicContact CD1-CD1 3.64Å; Y50-F56 AromaticContact CD1-CE1 3.38Å; Y50-F56 HydrophobicContact CD1-CE1 3.38Å; Y50-F56 HydrophobicContact CD1-CZ 4.35Å; Y50-F56 HydrophobicContact CE1-CD1 4.43Å; Y50-F56 AromaticContact CE1-CE1 3.95Å; Y50-F56 HydrophobicContact CE1-CE1 3.95Å; Y50-F56 AromaticContact CG-CD1 3.72Å; Y50-F56 HydrophobicContact CG-CD1 3.72Å; Y50-F56 AromaticContact CG-CE1 3.98Å; Y50-F56 HydrophobicContact CG-CE1 3.98Å; P51-F56 WeakPolarHBondContact O-CB 3.41Å; Y53-F56 AromaticContact CD2-CD2 3.52Å; Y53-F56 HydrophobicContact CD2-CD2 3.52Å; Y53-F56 AromaticContact CD2-CE2 3.95Å; Y53-F56 HydrophobicContact CD2-CE2 3.95Å; Y53-F56 HydrophobicContact CD2-CG 4.5Å; Y53-F56 HydrophobicContact CE2-CD2 4.45Å; Y53-F56 HydrophobicContact CE2-CE2 4.49Å; Y53-F56 AromaticContact CG-CD2 3.97Å; Y53-F56 HydrophobicContact CG-CD2 3.97Å; Y53-F56 WeakPolarHBondContact O-CA 3.44Å; Y53-F56 WeakPolarHBondContact O-CB 3.45Å; Y53-F56 PolarHBondContact O-N 2.8Å; I54-F56 VanDerWaalsContact C-N 3.26Å; I54-F56 PolarHBondContact O-N 3.44Å; F56-G58 PolarHBondContact O-N 2.84Å; F56-N59 VanDerWaalsContact CA-ND2 3.29Å; F56-N59 WeakPolarHBondContact CA-ND2 3.35Å; F56-N59 PolarHBondContact O-N 3.25Å; F56-N59 PolarHBondContact O-ND2 2.9Å; F56-L121 HydrophobicContact CD2-CD2 3.9Å; F56-L121 HydrophobicContact CE2-CD2 3.71Å; F56-L121 HydrophobicContact CG-CD2 4.44Å; F56-L121 HydrophobicContact CZ-CD2 4.05Å; F56-L122 HydrophobicContact CE1-CD2 3.84Å; F56-L122 HydrophobicContact CE1-CG 4.31Å; F56-L122 HydrophobicContact CZ-CD2 4.48Å |
| 57 | T | 92.3 | Very high | 89.2 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.9 | -28.6 | 178.6 | 64.6 | 0 | 0 | 0 | 0 | 113.2 | Y26 A29 V35 Y53 I54 A63 | Y26-T57 HydrophobicContact CD2-CG2 3.99Å; A29-T57 HydrophobicContact CB-CG2 4.25Å; V35-T57 HydrophobicContact CG1-CG2 4.07Å; V35-T57 HydrophobicContact CG2-CG2 4.24Å; Y53-T57 WeakPolarHBondContact O-CG2 3.24Å; Y53-T57 PolarHBondContact O-N 3.43Å; I54-T57 PolarHBondContact O-N 3.24Å; I54-T57 VanDerWaalsContact O-N 3.15Å; I54-T57 PolarHBondContact O-OG1 3.34Å; T57-A63 WeakPolarHBondContact O-CB 3.46Å |
| 58 | G | 92.7 | Very high | 91.1 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 10.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | I54 F56 S64 | I54-G58 PolarHBondContact O-N 3.03Å; F56-G58 PolarHBondContact O-N 2.84Å; G58-S64 WeakPolarHBondContact O-CA 3.42Å; G58-S64 WeakPolarHBondContact O-CB 3.32Å |
| 59 | N | 93.9 | Very high | 92.6 | Very high | 10 Ų | 10 | 39.7 Ų | 39.7 | 5% | 0.053 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -82.6 | -30.9 | -177.2 | -80.4 | -82.3 | 0 | 0 | 0 | 114.7 | S55 F56 L121 L122 | S55-N59 PolarHBondContact O-ND2 3.43Å; F56-N59 VanDerWaalsContact CA-ND2 3.29Å; F56-N59 WeakPolarHBondContact CA-ND2 3.35Å; F56-N59 PolarHBondContact O-N 3.25Å; F56-N59 PolarHBondContact O-ND2 2.9Å; N59-L121 PolarHBondContact OD1-N 3.43Å; N59-L122 HydrophobicContact CB-CD1 4.11Å; N59-L122 HydrophobicContact CB-CG 4.46Å; N59-L122 WeakPolarHBondContact OD1-CB 3.39Å; N59-L122 WeakPolarHBondContact OD1-CG 3.31Å; N59-L122 PolarHBondContact OD1-N 3.16Å |
| 60 | F | 93.1 | Very high | 93.5 | Very high | 48 Ų | 48 | 37.1 Ų | 37.1 | 21% | 0.211 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -119.3 | 137.5 | -168 | -55.6 | -74.1 | 0 | 0 | 0 | 112 | K34 Y50 A63 S64 L122 | K34-F60 HydrophobicContact CB-CD2 4.21Å; K34-F60 HydrophobicContact CD-CB 4.41Å; K34-F60 HydrophobicContact CD-CD2 3.92Å; K34-F60 HydrophobicContact CD-CE2 4.43Å; K34-F60 HydrophobicContact CD-CG 4.17Å; K34-F60 HydrophobicContact CG-CB 4.4Å; K34-F60 HydrophobicContact CG-CD2 4.12Å; K34-F60 HydrophobicContact CG-CG 4.5Å; Y50-F60 AromaticContact CD2-CE2 3.87Å; Y50-F60 HydrophobicContact CD2-CE2 3.87Å; Y50-F60 HydrophobicContact CD2-CZ 4.4Å; Y50-F60 AromaticContact CE2-CE2 3.58Å; Y50-F60 HydrophobicContact CE2-CE2 3.58Å; Y50-F60 AromaticContact CE2-CZ 3.65Å; Y50-F60 HydrophobicContact CE2-CZ 3.65Å; F60-A63 PolarHBondContact O-N 3Å; F60-A63 VanDerWaalsContact O-N 3.11Å; F60-S64 PolarHBondContact O-N 2.98Å; F60-L122 HydrophobicContact CE1-CD1 4.31Å; F60-L122 HydrophobicContact CE2-CD1 4.04Å; F60-L122 HydrophobicContact CZ-CD1 3.5Å; F60-L122 VanDerWaalsContact CZ-CD1 3.5Å |
| 61 | P | 93.9 | Very high | 94.1 | Very high | 95 Ų | 95 | 33.9 Ų | 33.9 | 62% | 0.617 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 148.4 | 170.6 | -24.8 | 34.5 | 0 | 0 | 0 | 112.3 | S64 | P61-S64 WeakPolarHBondContact CA-OG 3.38Š|
| 62 | P | 94.7 | Very high | 94.6 | Very high | 59 Ų | 59 | 35.1 Ų | 35.1 | 38% | 0.383 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -81.5 | -11.2 | -2.3 | 33.1 | -33.7 | 0 | 0 | 0 | 113.8 | I28 N32 S64 C65 Y66 | I28-P62 HydrophobicContact CG2-CG 3.96Å; N32-P62 WeakPolarHBondContact ND2-CD 3.46Å; P62-S64 VanDerWaalsContact C-N 3.28Å; P62-S64 PolarHBondContact O-N 3.11Å; P62-C65 WeakPolarHBondContact O-CB 3.28Å; P62-C65 PolarHBondContact O-N 3.19Å; P62-Y66 HydrophobicContact CB-CE2 4.34Å; P62-Y66 VanDerWaalsContact O-CD2 3.31Å; P62-Y66 WeakPolarHBondContact O-CD2 3.31Å |
| 63 | A | 95.1 | Very high | 95 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 3% | 0.025 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.9 | -36.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | V25 I28 A29 T57 F60 C65 Y66 F67 | V25-A63 HydrophobicContact CG1-CB 4.29Å; I28-A63 HydrophobicContact CB-CB 4.28Å; I28-A63 HydrophobicContact CG2-CB 3.87Å; A29-A63 HydrophobicContact CB-CB 4.17Å; T57-A63 WeakPolarHBondContact O-CB 3.46Å; F60-A63 PolarHBondContact O-N 3Å; F60-A63 VanDerWaalsContact O-N 3.11Å; A63-C65 VanDerWaalsContact C-N 3.29Å; A63-C65 PolarHBondContact O-N 2.73Å; A63-Y66 PolarHBondContact O-N 2.88Å; A63-F67 WeakPolarHBondContact O-CB 3.37Å; A63-F67 PolarHBondContact O-N 3.12Å |
| 64 | S | 95.9 | Very high | 95.4 | Very high | 7 Ų | 7 | 39.4 Ų | 39.4 | 5% | 0.049 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.4 | -34.6 | 175.9 | 60.6 | 0 | 0 | 0 | 0 | 113.6 | G58 F60 P61 P62 F67 S68 | G58-S64 WeakPolarHBondContact O-CA 3.42Å; G58-S64 WeakPolarHBondContact O-CB 3.32Å; F60-S64 PolarHBondContact O-N 2.98Å; P61-S64 WeakPolarHBondContact CA-OG 3.38Å; P62-S64 VanDerWaalsContact C-N 3.28Å; P62-S64 PolarHBondContact O-N 3.11Å; S64-F67 PolarHBondContact O-N 2.97Å; S64-S68 PolarHBondContact O-N 3.35Å |
| 65 | C | 96.8 | Very high | 95.7 | Very high | 78 Ų | 78 | 39.1 Ų | 39.1 | 53% | 0.527 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -68.4 | -48.8 | 179.5 | -59.7 | 0 | 0 | 0 | 0 | 110.7 | P62 A63 F67 S68 E69 | P62-C65 WeakPolarHBondContact O-CB 3.28Å; P62-C65 PolarHBondContact O-N 3.19Å; A63-C65 VanDerWaalsContact C-N 3.29Å; A63-C65 PolarHBondContact O-N 2.73Å; C65-F67 VanDerWaalsContact C-N 3.31Å; C65-F67 PolarHBondContact O-N 3.13Å; C65-S68 PolarHBondContact O-N 3.41Å; C65-E69 PolarHBondContact O-N 3.31Å |
| 66 | Y | 97.1 | Very high | 96 | Very high | 114 Ų | 114 | 45 Ų | 45 | 45% | 0.447 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.9 | -43 | 173.8 | -69.9 | -83.7 | 0 | 0 | 0 | 111.4 | I28 P62 A63 S68 E69 I70 | I28-Y66 HydrophobicContact CD1-CD2 3.8Å; I28-Y66 HydrophobicContact CD1-CE2 3.99Å; I28-Y66 HydrophobicContact CD1-CG 4.23Å; P62-Y66 HydrophobicContact CB-CE2 4.34Å; P62-Y66 VanDerWaalsContact O-CD2 3.31Å; P62-Y66 WeakPolarHBondContact O-CD2 3.31Å; A63-Y66 PolarHBondContact O-N 2.88Å; Y66-S68 PolarHBondContact O-N 3.22Å; Y66-E69 PolarHBondContact O-N 2.85Å; Y66-I70 WeakPolarHBondContact O-CB 3.32Å; Y66-I70 VanDerWaalsContact O-CD1 3.27Å; Y66-I70 WeakPolarHBondContact O-CD1 3.38Å; Y66-I70 WeakPolarHBondContact O-CG1 3.42Å; Y66-I70 PolarHBondContact O-N 2.93Å |
| 67 | F | 97.4 | Very high | 96.3 | Very high | 5 Ų | 5 | 44.1 Ų | 44.1 | 2% | 0.022 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.3 | -47 | 178.1 | -176.5 | -107.9 | 0 | 0 | 0 | 112.3 | L22 V25 I54 A63 S64 C65 L71 V116 | L22-F67 HydrophobicContact CD2-CD2 3.93Å; L22-F67 HydrophobicContact CD2-CE2 3.8Å; V25-F67 HydrophobicContact CG1-CB 3.97Å; V25-F67 HydrophobicContact CG1-CD2 4.18Å; V25-F67 HydrophobicContact CG1-CG 4.48Å; V25-F67 HydrophobicContact CG2-CB 4.16Å; I54-F67 HydrophobicContact CG2-CE2 3.54Å; I54-F67 HydrophobicContact CG2-CZ 4.16Å; A63-F67 WeakPolarHBondContact O-CB 3.37Å; A63-F67 PolarHBondContact O-N 3.12Å; S64-F67 PolarHBondContact O-N 2.97Å; C65-F67 VanDerWaalsContact C-N 3.31Å; C65-F67 PolarHBondContact O-N 3.13Å; F67-L71 HydrophobicContact CD1-CD1 4.36Å; F67-L71 HydrophobicContact CD2-CG 4.47Å; F67-L71 HydrophobicContact CE1-CD1 3.62Å; F67-L71 HydrophobicContact CE1-CG 4.43Å; F67-L71 HydrophobicContact CE2-CD1 3.77Å; F67-L71 HydrophobicContact CE2-CG 4.07Å; F67-L71 HydrophobicContact CZ-CD1 3.29Å; F67-L71 HydrophobicContact CZ-CG 4.08Å; F67-L71 WeakPolarHBondContact O-CB 3.34Å; F67-L71 PolarHBondContact O-N 2.67Å; F67-V116 HydrophobicContact CE1-CG1 4.35Å; F67-V116 WeakPolarHBondContact CE1-O 3.27Å; F67-V116 HydrophobicContact CZ-CG1 4.2Å |
| 68 | S | 97.8 | Very high | 96.6 | Very high | 22 Ų | 22 | 44.3 Ų | 44.3 | 15% | 0.154 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.6 | -49.6 | 176.2 | 178.6 | 0 | 0 | 0 | 0 | 111.8 | S64 C65 Y66 I70 L71 N72 G117 N118 | S64-S68 PolarHBondContact O-N 3.35Å; C65-S68 PolarHBondContact O-N 3.41Å; Y66-S68 PolarHBondContact O-N 3.22Å; S68-I70 PolarHBondContact O-N 3.31Å; S68-L71 PolarHBondContact O-N 3.32Å; S68-N72 WeakPolarHBondContact O-CB 3.26Å; S68-N72 VanDerWaalsContact O-CG 3.27Å; S68-N72 PolarHBondContact O-N 2.79Å; S68-N72 PolarHBondContact O-ND2 2.73Å; S68-N72 PolarHBondContact OG-ND2 3.06Å; S68-N72 VanDerWaalsContact OG-ND2 3.11Å; S68-G117 VanDerWaalsContact CA-O 3.29Å; S68-G117 WeakPolarHBondContact CA-O 3.32Å; S68-G117 WeakPolarHBondContact CB-O 3.49Å; S68-N118 PolarHBondContact OG-OD1 3.16Å |
| 69 | E | 97.9 | Very high | 96.9 | Very high | 115 Ų | 115 | 47.5 Ų | 47.5 | 54% | 0.537 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -57.9 | -50.5 | 179.8 | -175.9 | 179 | 174.7 | 0 | 0 | 111.5 | C65 Y66 L71 N72 L73 | C65-E69 PolarHBondContact O-N 3.31Å; Y66-E69 PolarHBondContact O-N 2.85Å; E69-L71 PolarHBondContact O-N 2.72Å; E69-N72 PolarHBondContact O-N 2.95Å; E69-L73 HydrophobicContact CG-CD1 4.02Å; E69-L73 WeakPolarHBondContact O-CB 3.34Å; E69-L73 WeakPolarHBondContact O-CG 3.34Å; E69-L73 PolarHBondContact O-N 3.46Å |
| 70 | I | 98.1 | Very high | 96.9 | Very high | 26 Ų | 26 | 49.1 Ų | 49.1 | 13% | 0.133 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.4 | -46.9 | -179.8 | -68.6 | 157.6 | 0 | 0 | 0 | 110.7 | T18 G21 L22 V25 Y66 S68 T74 | T18-I70 HydrophobicContact CG2-CG2 4.3Å; G21-I70 WeakPolarHBondContact O-CD1 3.46Å; L22-I70 HydrophobicContact CD2-CG2 4.49Å; V25-I70 HydrophobicContact CG2-CD1 3.69Å; Y66-I70 WeakPolarHBondContact O-CB 3.32Å; Y66-I70 VanDerWaalsContact O-CD1 3.27Å; Y66-I70 WeakPolarHBondContact O-CD1 3.38Å; Y66-I70 WeakPolarHBondContact O-CG1 3.42Å; Y66-I70 PolarHBondContact O-N 2.93Å; S68-I70 PolarHBondContact O-N 3.31Å; I70-T74 VanDerWaalsContact O-CB 3.23Å; I70-T74 WeakPolarHBondContact O-CB 3.41Å; I70-T74 PolarHBondContact O-N 2.88Å; I70-T74 PolarHBondContact O-OG1 3.43Å |
| 71 | L | 98 | Very high | 97.1 | Very high | 14 Ų | 14 | 46.9 Ų | 46.9 | 7% | 0.073 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -69.5 | -36.4 | -178.9 | -74.8 | -162.8 | 0 | 0 | 0 | 113 | L22 F67 S68 E69 T74 A75 M113 V116 | L22-L71 HydrophobicContact CD2-CD2 4.33Å; F67-L71 HydrophobicContact CD1-CD1 4.36Å; F67-L71 HydrophobicContact CD2-CG 4.47Å; F67-L71 HydrophobicContact CE1-CD1 3.62Å; F67-L71 HydrophobicContact CE1-CG 4.43Å; F67-L71 HydrophobicContact CE2-CD1 3.77Å; F67-L71 HydrophobicContact CE2-CG 4.07Å; F67-L71 HydrophobicContact CZ-CD1 3.29Å; F67-L71 HydrophobicContact CZ-CG 4.08Å; F67-L71 WeakPolarHBondContact O-CB 3.34Å; F67-L71 PolarHBondContact O-N 2.67Å; S68-L71 PolarHBondContact O-N 3.32Å; E69-L71 PolarHBondContact O-N 2.72Å; L71-T74 PolarHBondContact O-N 3.21Å; L71-A75 VanDerWaalsContact O-CB 3.28Å; L71-A75 WeakPolarHBondContact O-CB 3.3Å; L71-A75 PolarHBondContact O-N 2.8Å; L71-M113 HydrophobicContact CB-CG 4.27Å; L71-M113 HydrophobicContact CD1-CG 4.44Å; L71-M113 HydrophobicContact CD2-CG 4.13Å; L71-M113 HydrophobicContact CD2-SD 4.3Å; L71-V116 HydrophobicContact CD1-CB 4.28Å; L71-V116 HydrophobicContact CD1-CG1 3.8Å |
| 72 | N | 98.5 | Very high | 97.2 | Very high | 48 Ų | 48 | 42.4 Ų | 42.4 | 26% | 0.257 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67.4 | -45.4 | 176.3 | -72.4 | -39.2 | 0 | 0 | 0 | 111.8 | S68 E69 T74 A75 F76 T114 N118 | S68-N72 WeakPolarHBondContact O-CB 3.26Å; S68-N72 VanDerWaalsContact O-CG 3.27Å; S68-N72 PolarHBondContact O-N 2.79Å; S68-N72 PolarHBondContact O-ND2 2.73Å; S68-N72 PolarHBondContact OG-ND2 3.06Å; S68-N72 VanDerWaalsContact OG-ND2 3.11Å; E69-N72 PolarHBondContact O-N 2.95Å; N72-T74 VanDerWaalsContact C-N 3.3Å; N72-T74 PolarHBondContact O-N 3.34Å; N72-A75 PolarHBondContact O-N 3.32Å; N72-F76 PolarHBondContact O-N 3Å; N72-T114 WeakPolarHBondContact OD1-CB 3.37Å; N72-T114 WeakPolarHBondContact OD1-CG2 3.28Å; N72-N118 PolarHBondContact ND2-ND2 2.91Å; N72-N118 VanDerWaalsContact ND2-ND2 3.18Å; N72-N118 PolarHBondContact ND2-OD1 2.97Å; N72-N118 PolarHBondContact OD1-ND2 3.42Å |
| 73 | L | 98 | Very high | 97.2 | Very high | 107 Ų | 107 | 42.1 Ų | 42.1 | 56% | 0.56 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -61.5 | -41.7 | 174.3 | -71.2 | 174.8 | 0 | 0 | 0 | 111.3 | E69 F76 A77 | E69-L73 HydrophobicContact CG-CD1 4.02Å; E69-L73 WeakPolarHBondContact O-CB 3.34Å; E69-L73 WeakPolarHBondContact O-CG 3.34Å; E69-L73 PolarHBondContact O-N 3.46Å; L73-F76 PolarHBondContact O-N 2.94Å; L73-A77 WeakPolarHBondContact O-CB 3.33Å; L73-A77 PolarHBondContact O-N 3.11Å |
| 74 | T | 98.3 | Very high | 97.1 | Very high | 9 Ų | 9 | 42.9 Ų | 42.9 | 6% | 0.055 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.3 | -46.7 | 176.6 | -59.1 | 0 | 0 | 0 | 0 | 111.1 | L14 T18 I70 L71 N72 F76 A77 A78 M113 | L14-T74 HydrophobicContact CD1-CG2 3.9Å; T18-T74 HydrophobicContact CG2-CG2 3.77Å; T18-T74 VanDerWaalsContact CG2-OG1 3.3Å; T18-T74 WeakPolarHBondContact CG2-OG1 3.33Å; T18-T74 VanDerWaalsContact OG1-CG2 3.32Å; T18-T74 WeakPolarHBondContact OG1-CG2 3.35Å; T18-T74 PolarHBondContact OG1-OG1 3.05Å; I70-T74 VanDerWaalsContact O-CB 3.23Å; I70-T74 WeakPolarHBondContact O-CB 3.41Å; I70-T74 PolarHBondContact O-N 2.88Å; I70-T74 PolarHBondContact O-OG1 3.43Å; L71-T74 PolarHBondContact O-N 3.21Å; N72-T74 VanDerWaalsContact C-N 3.3Å; N72-T74 PolarHBondContact O-N 3.34Å; T74-F76 VanDerWaalsContact C-N 3.34Å; T74-F76 PolarHBondContact O-N 2.87Å; T74-A77 PolarHBondContact O-N 3.48Å; T74-A78 WeakPolarHBondContact O-CB 3.39Å; T74-A78 PolarHBondContact O-N 3.49Å; T74-M113 HydrophobicContact CG2-CE 4.23Å; T74-M113 HydrophobicContact CG2-SD 3.58Å; T74-M113 VanDerWaalsContact CG2-SD 3.58Å |
| 75 | A | 98.4 | Very high | 97 | Very high | 3 Ų | 3 | 42.6 Ų | 42.6 | 3% | 0.025 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.2 | -44.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L71 N72 F79 C110 M113 T114 | L71-A75 VanDerWaalsContact O-CB 3.28Å; L71-A75 WeakPolarHBondContact O-CB 3.3Å; L71-A75 PolarHBondContact O-N 2.8Å; N72-A75 PolarHBondContact O-N 3.32Å; A75-F79 VanDerWaalsContact O-CB 3.32Å; A75-F79 WeakPolarHBondContact O-CB 3.22Å; A75-F79 PolarHBondContact O-N 3.35Å; A75-C110 HydrophobicContact CB-CB 4.41Å; A75-C110 WeakPolarHBondContact CB-O 3.45Å; A75-M113 HydrophobicContact CB-CB 4.1Å; A75-M113 HydrophobicContact CB-CG 4.31Å; A75-M113 HydrophobicContact CB-SD 4.01Å; A75-T114 HydrophobicContact CB-CG2 3.58Å |
| 76 | F | 98.1 | Very high | 96.9 | Very high | 139 Ų | 139 | 40.4 Ų | 40.4 | 61% | 0.61 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -64.7 | -50.8 | 177.5 | 176.9 | -105.5 | 0 | 0 | 0 | 112.1 | N72 L73 T74 A78 F79 V80 | N72-F76 PolarHBondContact O-N 3Å; L73-F76 PolarHBondContact O-N 2.94Å; T74-F76 VanDerWaalsContact C-N 3.34Å; T74-F76 PolarHBondContact O-N 2.87Å; F76-A78 VanDerWaalsContact C-N 3.34Å; F76-A78 PolarHBondContact O-N 3.04Å; F76-F79 WeakPolarHBondContact O-CB 3.39Å; F76-F79 PolarHBondContact O-N 3.05Å; F76-V80 HydrophobicContact CE1-CG2 4.23Å; F76-V80 HydrophobicContact CE2-CG2 4.42Å; F76-V80 HydrophobicContact CZ-CG2 4.11Å; F76-V80 WeakPolarHBondContact O-CG2 3.32Å; F76-V80 PolarHBondContact O-N 3.41Å |
| 77 | A | 97 | Very high | 96.6 | Very high | 20 Ų | 20 | 40.1 Ų | 40.1 | 17% | 0.165 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.5 | -38.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L14 L73 T74 V80 V81 | L14-A77 HydrophobicContact CD1-CB 3.57Å; L14-A77 HydrophobicContact CD2-CB 4.12Å; L14-A77 HydrophobicContact CG-CB 4.31Å; L73-A77 WeakPolarHBondContact O-CB 3.33Å; L73-A77 PolarHBondContact O-N 3.11Å; T74-A77 PolarHBondContact O-N 3.48Å; A77-V80 PolarHBondContact O-N 2.88Å; A77-V81 WeakPolarHBondContact O-CG2 3.36Å; A77-V81 PolarHBondContact O-N 3.13Å |
| 78 | A | 97.9 | Very high | 96.2 | Very high | 5 Ų | 5 | 40.5 Ų | 40.5 | 4% | 0.041 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.9 | -47 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L14 T74 F76 V80 V81 G82 F106 | L14-A78 HydrophobicContact CD2-CB 4.09Å; T74-A78 WeakPolarHBondContact O-CB 3.39Å; T74-A78 PolarHBondContact O-N 3.49Å; F76-A78 VanDerWaalsContact C-N 3.34Å; F76-A78 PolarHBondContact O-N 3.04Å; A78-V80 VanDerWaalsContact C-N 3.3Å; A78-V80 PolarHBondContact O-N 3.01Å; A78-V81 CarbonylContact O-C 3.59Å; A78-V81 WeakPolarHBondContact O-CA 3.39Å; A78-V81 WeakPolarHBondContact O-CB 3.31Å; A78-V81 PolarHBondContact O-N 2.95Å; A78-G82 PolarHBondContact O-N 3.16Å; A78-F106 HydrophobicContact CB-CE1 4.47Å; A78-F106 HydrophobicContact CB-CZ 4.09Å; A78-F106 VanDerWaalsContact O-CE1 3.24Å; A78-F106 WeakPolarHBondContact O-CE1 3.27Å |
| 79 | F | 98 | Very high | 95.9 | Very high | 71 Ų | 71 | 39.4 Ų | 39.4 | 31% | 0.311 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -56.3 | -43.4 | 176 | 176.4 | -113.4 | 0 | 0 | 0 | 112.2 | A75 F76 V81 G82 I83 S107 C110 | A75-F79 VanDerWaalsContact O-CB 3.32Å; A75-F79 WeakPolarHBondContact O-CB 3.22Å; A75-F79 PolarHBondContact O-N 3.35Å; F76-F79 WeakPolarHBondContact O-CB 3.39Å; F76-F79 PolarHBondContact O-N 3.05Å; F79-V81 PolarHBondContact O-N 3.49Å; F79-G82 WeakPolarHBondContact O-CA 3.36Å; F79-G82 PolarHBondContact O-N 3.29Å; F79-G82 VanDerWaalsContact O-N 3.11Å; F79-I83 HydrophobicContact CD1-CD1 3.93Å; F79-I83 HydrophobicContact CE1-CD1 3.41Å; F79-I83 VanDerWaalsContact CE1-CD1 3.41Å; F79-I83 HydrophobicContact CE1-CG1 4.38Å; F79-I83 HydrophobicContact CE2-CD1 4.16Å; F79-I83 HydrophobicContact CE2-CG1 4.3Å; F79-I83 HydrophobicContact CZ-CD1 3.55Å; F79-I83 HydrophobicContact CZ-CG1 4.17Å; F79-I83 PolarHBondContact O-N 3.12Å; F79-S107 WeakPolarHBondContact CE2-OG 3.3Å; F79-C110 HydrophobicContact CB-CB 4.31Å |
| 80 | V | 95.9 | Very high | 95.5 | Very high | 44 Ų | 44 | 37.8 Ų | 37.8 | 27% | 0.267 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.5 | -46 | 173.4 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | L10 F76 A77 A78 G82 I83 L84 | L10-V80 HydrophobicContact CD2-CG1 3.93Å; F76-V80 HydrophobicContact CE1-CG2 4.23Å; F76-V80 HydrophobicContact CE2-CG2 4.42Å; F76-V80 HydrophobicContact CZ-CG2 4.11Å; F76-V80 WeakPolarHBondContact O-CG2 3.32Å; F76-V80 PolarHBondContact O-N 3.41Å; A77-V80 PolarHBondContact O-N 2.88Å; A78-V80 VanDerWaalsContact C-N 3.3Å; A78-V80 PolarHBondContact O-N 3.01Å; V80-G82 VanDerWaalsContact C-N 3.26Å; V80-G82 PolarHBondContact O-N 3.28Å; V80-I83 PolarHBondContact O-N 2.96Å; V80-L84 HydrophobicContact CG1-CD1 4.22Å; V80-L84 HydrophobicContact CG1-CG 4.45Å; V80-L84 WeakPolarHBondContact O-CG 3.17Å; V80-L84 PolarHBondContact O-N 2.93Å |
| 81 | V | 95.7 | Very high | 95 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.5 | -40.9 | 174 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | L10 P11 L14 A77 A78 F79 L84 R85 I206 F209 F213 | L10-V81 HydrophobicContact CD2-CG2 3.73Å; L10-V81 HydrophobicContact CG-CG2 3.85Å; P11-V81 HydrophobicContact CB-CG2 4.46Å; P11-V81 HydrophobicContact CG-CG1 4.09Å; P11-V81 HydrophobicContact CG-CG2 4.01Å; L14-V81 HydrophobicContact CD2-CG2 4.34Å; A77-V81 WeakPolarHBondContact O-CG2 3.36Å; A77-V81 PolarHBondContact O-N 3.13Å; A78-V81 CarbonylContact O-C 3.59Å; A78-V81 WeakPolarHBondContact O-CA 3.39Å; A78-V81 WeakPolarHBondContact O-CB 3.31Å; A78-V81 PolarHBondContact O-N 2.95Å; F79-V81 PolarHBondContact O-N 3.49Å; V81-L84 PolarHBondContact O-N 2.91Å; V81-R85 WeakPolarHBondContact O-CB 3.41Å; V81-R85 PolarHBondContact O-N 3.48Å; V81-I206 HydrophobicContact CG1-CG2 4.45Å; V81-F209 HydrophobicContact CG1-CB 4.32Å; V81-F209 HydrophobicContact CG1-CD2 3.88Å; V81-F209 HydrophobicContact CG1-CG 4.4Å; V81-F213 HydrophobicContact CG1-CE2 4.14Å; V81-F213 HydrophobicContact CG1-CZ 4.21Å |
| 82 | G | 96.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.8 | -43.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A78 F79 V80 R85 Y86 | A78-G82 PolarHBondContact O-N 3.16Å; F79-G82 WeakPolarHBondContact O-CA 3.36Å; F79-G82 PolarHBondContact O-N 3.29Å; F79-G82 VanDerWaalsContact O-N 3.11Å; V80-G82 VanDerWaalsContact C-N 3.26Å; V80-G82 PolarHBondContact O-N 3.28Å; G82-R85 PolarHBondContact O-N 3.33Å; G82-Y86 PolarHBondContact O-N 3.49Å |
| 83 | I | 95.2 | Very high | 94 | Very high | 53 Ų | 53 | 46.3 Ų | 46.3 | 27% | 0.272 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.4 | -47.4 | 175.4 | -70.6 | 171.9 | 0 | 0 | 0 | 111 | F79 V80 R85 Y86 F87 L103 | F79-I83 HydrophobicContact CD1-CD1 3.93Å; F79-I83 HydrophobicContact CE1-CD1 3.41Å; F79-I83 VanDerWaalsContact CE1-CD1 3.41Å; F79-I83 HydrophobicContact CE1-CG1 4.38Å; F79-I83 HydrophobicContact CE2-CD1 4.16Å; F79-I83 HydrophobicContact CE2-CG1 4.3Å; F79-I83 HydrophobicContact CZ-CD1 3.55Å; F79-I83 HydrophobicContact CZ-CG1 4.17Å; F79-I83 PolarHBondContact O-N 3.12Å; V80-I83 PolarHBondContact O-N 2.96Å; I83-R85 VanDerWaalsContact C-N 3.25Å; I83-R85 PolarHBondContact O-N 2.94Å; I83-Y86 WeakPolarHBondContact O-CB 3.33Å; I83-Y86 PolarHBondContact O-N 3.08Å; I83-Y86 VanDerWaalsContact O-N 3.13Å; I83-F87 HydrophobicContact CG2-CD2 3.64Å; I83-F87 HydrophobicContact CG2-CE2 3.42Å; I83-F87 VanDerWaalsContact CG2-CE2 3.42Å; I83-F87 VanDerWaalsContact O-CD2 3.27Å; I83-F87 WeakPolarHBondContact O-CD2 3.23Å; I83-F87 PolarHBondContact O-N 2.89Å; I83-L103 HydrophobicContact CG1-CD1 4.34Å |
| 84 | L | 93.1 | Very high | 93.4 | Very high | 20 Ų | 20 | 49.2 Ų | 49.2 | 11% | 0.105 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.3 | -43.1 | 177.2 | -67.5 | 173.3 | 0 | 0 | 0 | 110.5 | L7 L10 V80 V81 Y86 F87 Q88 F213 F218 | L7-L84 HydrophobicContact CD2-CD1 4.09Å; L10-L84 HydrophobicContact CD2-CD1 3.92Å; V80-L84 HydrophobicContact CG1-CD1 4.22Å; V80-L84 HydrophobicContact CG1-CG 4.45Å; V80-L84 WeakPolarHBondContact O-CG 3.17Å; V80-L84 PolarHBondContact O-N 2.93Å; V81-L84 PolarHBondContact O-N 2.91Å; L84-Y86 PolarHBondContact O-N 3.39Å; L84-F87 PolarHBondContact O-N 3.23Å; L84-Q88 WeakPolarHBondContact O-CB 3.28Å; L84-Q88 PolarHBondContact O-N 2.9Å; L84-F213 HydrophobicContact CB-CE1 4.17Å; L84-F213 HydrophobicContact CB-CE2 4.22Å; L84-F213 HydrophobicContact CB-CZ 3.68Å; L84-F213 HydrophobicContact CD1-CE2 4.32Å; L84-F218 HydrophobicContact CB-CE2 4.28Å; L84-F218 HydrophobicContact CB-CZ 4Å; L84-F218 HydrophobicContact CD2-CD1 4.03Å; L84-F218 HydrophobicContact CD2-CD2 4.22Å; L84-F218 HydrophobicContact CD2-CE1 4.06Å; L84-F218 HydrophobicContact CD2-CE2 4.25Å; L84-F218 HydrophobicContact CD2-CG 4.1Å; L84-F218 HydrophobicContact CD2-CZ 4.17Å; L84-F218 VanDerWaalsContact O-CZ 3.31Å; L84-F218 WeakPolarHBondContact O-CZ 3.42Å |
| 85 | R | 93.8 | Very high | 93 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 0% | 0.004 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 176 | -179.2 | 55.2 | 179.5 | -173.4 | -6.5 | 112.2 | V81 G82 I83 F87 Q88 V89 T150 F209 D212 F213 | V81-R85 WeakPolarHBondContact O-CB 3.41Å; V81-R85 PolarHBondContact O-N 3.48Å; G82-R85 PolarHBondContact O-N 3.33Å; I83-R85 VanDerWaalsContact C-N 3.25Å; I83-R85 PolarHBondContact O-N 2.94Å; R85-F87 PolarHBondContact O-N 3.46Å; R85-Q88 PolarHBondContact O-N 3.44Å; R85-V89 PolarHBondContact O-N 3.47Å; R85-T150 PolarHBondContact NH2-OG1 3.34Å; R85-F209 HydrophobicContact CG-CD1 4.32Å; R85-F209 HydrophobicContact CG-CE1 3.93Å; R85-F209 HydrophobicContact CG-CZ 4.36Å; R85-D212 IonicContact CZ-OD2 3.22Å; R85-D212 VanDerWaalsContact NH1-CG 3.33Å; R85-D212 IonicContact NH1-OD2 2.72Å; R85-D212 PolarHBondContact NH1-OD2 3.48Å; R85-D212 IonicContact NH2-OD2 3.32Å; R85-D212 PolarHBondContact NH2-OD2 3.32Å; R85-F213 HydrophobicContact CB-CE1 4.39Å; R85-F213 HydrophobicContact CB-CZ 4.35Å |
| 86 | Y | 94.3 | Very high | 92.7 | Very high | 32 Ų | 32 | 60.6 Ų | 60.6 | 13% | 0.125 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.7 | -49.5 | 175.2 | 169.4 | -96.2 | 0 | 0 | 0 | 111.4 | G82 I83 L84 Q88 V89 K90 N99 I100 L103 | G82-Y86 PolarHBondContact O-N 3.49Å; I83-Y86 WeakPolarHBondContact O-CB 3.33Å; I83-Y86 PolarHBondContact O-N 3.08Å; I83-Y86 VanDerWaalsContact O-N 3.13Å; L84-Y86 PolarHBondContact O-N 3.39Å; Y86-Q88 PolarHBondContact O-N 3.36Å; Y86-V89 PolarHBondContact O-N 3.28Å; Y86-K90 HydrophobicContact CE1-CD 4.21Å; Y86-K90 WeakPolarHBondContact O-CB 3.37Å; Y86-K90 PolarHBondContact O-N 2.62Å; Y86-N99 HydrophobicContact CD2-CB 4.26Å; Y86-N99 VanDerWaalsContact CD2-CG 3.41Å; Y86-N99 VanDerWaalsContact CD2-ND2 3.28Å; Y86-N99 WeakPolarHBondContact CD2-ND2 3.43Å; Y86-N99 HydrophobicContact CE2-CB 4.36Å; Y86-N99 PolarHBondContact O-ND2 3Å; Y86-I100 HydrophobicContact CE2-CG1 3.83Å; Y86-L103 HydrophobicContact CD1-CD2 4.24Å; Y86-L103 HydrophobicContact CD2-CB 4.21Å; Y86-L103 HydrophobicContact CD2-CD2 3.92Å; Y86-L103 HydrophobicContact CG-CD2 3.79Å |
| 87 | F | 91.3 | Very high | 92.4 | Very high | 108 Ų | 108 | 61.6 Ų | 61.6 | 47% | 0.474 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.7 | -40.1 | 179.4 | -77.1 | -62.5 | 0 | 0 | 0 | 112.9 | I83 L84 R85 V89 K90 F218 | I83-F87 HydrophobicContact CG2-CD2 3.64Å; I83-F87 HydrophobicContact CG2-CE2 3.42Å; I83-F87 VanDerWaalsContact CG2-CE2 3.42Å; I83-F87 VanDerWaalsContact O-CD2 3.27Å; I83-F87 WeakPolarHBondContact O-CD2 3.23Å; I83-F87 PolarHBondContact O-N 2.89Å; L84-F87 PolarHBondContact O-N 3.23Å; R85-F87 PolarHBondContact O-N 3.46Å; F87-V89 PolarHBondContact O-N 3.05Å; F87-K90 HydrophobicContact CD1-CD 4.39Å; F87-K90 PolarHBondContact O-N 2.84Å; F87-F218 HydrophobicContact CB-CE1 4.16Å |
| 88 | Q | 89.8 | Confident | 92.3 | Very high | 12 Ų | 12 | 61.4 Ų | 61.4 | 6% | 0.056 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -54.9 | -40.8 | 176.2 | 170.3 | 172.4 | 37.2 | 0 | 0 | 112.3 | L84 R85 Y86 L155 D212 F213 C216 F218 | L84-Q88 WeakPolarHBondContact O-CB 3.28Å; L84-Q88 PolarHBondContact O-N 2.9Å; R85-Q88 PolarHBondContact O-N 3.44Å; Y86-Q88 PolarHBondContact O-N 3.36Å; Q88-L155 HydrophobicContact CG-CD1 4.41Å; Q88-D212 PolarHBondContact NE2-O 2.96Å; Q88-F213 VanDerWaalsContact OE1-CD1 3.31Å; Q88-F213 VanDerWaalsContact OE1-CE1 3.28Å; Q88-C216 PolarHBondContact NE2-SG 2.82Å; Q88-F218 HydrophobicContact CB-CZ 4.17Å |
| 89 | V | 90.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -96.2 | -16.3 | -173.3 | 179.5 | 0 | 0 | 0 | 0 | 112.9 | R85 Y86 F87 T91 K92 L93 I149 V153 | R85-V89 PolarHBondContact O-N 3.47Å; Y86-V89 PolarHBondContact O-N 3.28Å; F87-V89 PolarHBondContact O-N 3.05Å; V89-T91 PolarHBondContact O-N 3.47Å; V89-K92 PolarHBondContact O-N 2.83Å; V89-L93 HydrophobicContact CG1-CB 3.73Å; V89-L93 HydrophobicContact CG1-CD2 4.29Å; V89-L93 PolarHBondContact O-N 2.9Å; V89-I149 HydrophobicContact CB-CG2 4.45Å; V89-I149 HydrophobicContact CG1-CG2 3.6Å; V89-I149 HydrophobicContact CG2-CG2 4.21Å; V89-V153 HydrophobicContact CG1-CG2 3.85Å |
| 90 | K | 90.3 | Very high | 92.1 | Very high | 80 Ų | 80 | 61.3 Ų | 61.3 | 35% | 0.348 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -49.3 | -38.9 | -173 | 179.1 | -177.8 | 173.1 | -171.4 | 0 | 114.2 | Y86 F87 N99 | Y86-K90 HydrophobicContact CE1-CD 4.21Å; Y86-K90 WeakPolarHBondContact O-CB 3.37Å; Y86-K90 PolarHBondContact O-N 2.62Å; F87-K90 HydrophobicContact CD1-CD 4.39Å; F87-K90 PolarHBondContact O-N 2.84Å; K90-N99 PolarHBondContact N-ND2 3.21Å |
| 91 | T | 86.6 | Confident | 92.2 | Very high | 118 Ų | 118 | 63.6 Ų | 63.6 | 72% | 0.724 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -1.9 | -177.4 | 56 | 0 | 0 | 0 | 0 | 113.8 | V89 | V89-T91 PolarHBondContact O-N 3.47Š|
| 92 | K | 86.6 | Confident | 92.3 | Very high | 130 Ų | 130 | 63.6 Ų | 63.6 | 57% | 0.565 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.1 | -3.9 | -171.1 | -57.1 | -61.9 | -174.2 | -178.9 | 0 | 113.7 | V89 V153 L155 | V89-K92 PolarHBondContact O-N 2.83Å; K92-V153 HydrophobicContact CB-CG1 3.64Å; K92-V153 HydrophobicContact CG-CG1 4.49Å; K92-L155 HydrophobicContact CG-CD2 4.44Å |
| 93 | L | 88.5 | Confident | 92.3 | Very high | 20 Ų | 20 | 65.2 Ų | 65.2 | 11% | 0.105 | 30% | 0.302 | C | S | . | . | trans | -118.3 | 120.5 | -176.3 | -173.6 | 73 | 0 | 0 | 0 | 110.4 | V89 K95 L98 N99 I149 V153 | V89-L93 HydrophobicContact CG1-CB 3.73Å; V89-L93 HydrophobicContact CG1-CD2 4.29Å; V89-L93 PolarHBondContact O-N 2.9Å; L93-K95 VanDerWaalsContact C-N 3.29Å; L93-K95 VanDerWaalsContact CD2-O 3.31Å; L93-K95 WeakPolarHBondContact CD2-O 3.12Å; L93-K95 PolarHBondContact O-N 3.28Å; L93-L98 HydrophobicContact CD2-CB 4.22Å; L93-L98 HydrophobicContact CD2-CD2 4.44Å; L93-N99 HydrophobicContact CD2-CB 3.94Å; L93-I149 HydrophobicContact CD2-CG1 4.24Å; L93-V153 HydrophobicContact CB-CG2 4.31Å; L93-V153 HydrophobicContact CD1-CG2 3.94Å | ||
| 94 | D | 85.6 | Confident | 92.5 | Very high | 168 Ų | 168 | 66.6 Ų | 66.6 | 90% | 0.898 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -59.6 | -41.5 | 179 | -53.1 | -30.4 | 0 | 0 | 0 | 111.6 | R96 | D94-R96 PolarHBondContact O-N 2.85Å; D94-R96 VanDerWaalsContact O-N 3.16Å |
| 95 | K | 90.3 | Very high | 92.7 | Very high | 114 Ų | 114 | 66 Ų | 66 | 50% | 0.496 | 31% | 0.31 | S | S | . | . | trans | -88.3 | 75.4 | 179.6 | -65.9 | -174.8 | -178.7 | -176.1 | 0 | 111.4 | L93 W97 L98 | L93-K95 VanDerWaalsContact C-N 3.29Å; L93-K95 VanDerWaalsContact CD2-O 3.31Å; L93-K95 WeakPolarHBondContact CD2-O 3.12Å; L93-K95 PolarHBondContact O-N 3.28Å; K95-W97 PolarHBondContact O-N 2.95Å; K95-W97 VanDerWaalsContact O-N 3.16Å; K95-L98 HydrophobicContact CB-CB 4.36Å; K95-L98 WeakPolarHBondContact O-CB 3.28Å; K95-L98 PolarHBondContact O-N 2.69Å | ||
| 96 | R | 91.1 | Very high | 93 | Very high | 136 Ų | 136 | 66.6 Ų | 66.6 | 51% | 0.513 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -54 | -35.6 | -178.5 | -173.6 | 173.8 | 175 | -175 | -5.7 | 114.2 | D94 L98 N99 I100 | D94-R96 PolarHBondContact O-N 2.85Å; D94-R96 VanDerWaalsContact O-N 3.16Å; R96-L98 PolarHBondContact O-N 2.63Å; R96-N99 PolarHBondContact O-N 2.83Å; R96-I100 HydrophobicContact CG-CD1 4.15Å; R96-I100 PolarHBondContact O-N 3.27Å |
| 97 | W | 93.5 | Very high | 93.2 | Very high | 161 Ų | 161 | 66.8 Ų | 66.8 | 61% | 0.61 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -59 | -32.4 | 178.5 | 69.1 | -91.2 | 0 | 0 | 0 | 112.8 | K95 I100 F101 | K95-W97 PolarHBondContact O-N 2.95Å; K95-W97 VanDerWaalsContact O-N 3.16Å; W97-I100 PolarHBondContact O-N 3.33Å; W97-F101 VanDerWaalsContact O-CB 3.27Å; W97-F101 WeakPolarHBondContact O-CB 3.43Å; W97-F101 PolarHBondContact O-N 2.6Å |
| 98 | L | 94.7 | Very high | 93.5 | Very high | 16 Ų | 16 | 64.1 Ų | 64.1 | 8% | 0.084 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.3 | -38.6 | 179.4 | -168.2 | 79 | 0 | 0 | 0 | 111.6 | L93 K95 R96 S102 L145 Y148 I149 | L93-L98 HydrophobicContact CD2-CB 4.22Å; L93-L98 HydrophobicContact CD2-CD2 4.44Å; K95-L98 HydrophobicContact CB-CB 4.36Å; K95-L98 WeakPolarHBondContact O-CB 3.28Å; K95-L98 PolarHBondContact O-N 2.69Å; R96-L98 PolarHBondContact O-N 2.63Å; L98-S102 WeakPolarHBondContact O-CB 3.2Å; L98-S102 PolarHBondContact O-N 2.88Å; L98-L145 HydrophobicContact CD1-CD2 3.94Å; L98-Y148 HydrophobicContact CD2-CD1 3.67Å; L98-Y148 HydrophobicContact CD2-CE1 3.67Å; L98-I149 HydrophobicContact CD2-CD1 4.1Å; L98-I149 HydrophobicContact CD2-CG1 3.59Å; L98-I149 HydrophobicContact CG-CD1 4.23Å; L98-I149 HydrophobicContact CG-CG1 4.27Å |
| 99 | N | 95 | Very high | 93.9 | Very high | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.2 | -40.3 | 176.7 | -168.2 | 21.9 | 0 | 0 | 0 | 111.2 | Y86 K90 L93 R96 L103 | Y86-N99 HydrophobicContact CD2-CB 4.26Å; Y86-N99 VanDerWaalsContact CD2-CG 3.41Å; Y86-N99 VanDerWaalsContact CD2-ND2 3.28Å; Y86-N99 WeakPolarHBondContact CD2-ND2 3.43Å; Y86-N99 HydrophobicContact CE2-CB 4.36Å; Y86-N99 PolarHBondContact O-ND2 3Å; K90-N99 PolarHBondContact N-ND2 3.21Å; L93-N99 HydrophobicContact CD2-CB 3.94Å; R96-N99 PolarHBondContact O-N 2.83Å; N99-L103 PolarHBondContact O-N 3.03Å |
| 100 | I | 96.4 | Very high | 94.3 | Very high | 73 Ų | 73 | 64.1 Ų | 64.1 | 37% | 0.374 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.3 | -50.4 | 174.9 | -63.9 | 169.2 | 0 | 0 | 0 | 110.4 | Y86 R96 W97 S102 L103 V104 | Y86-I100 HydrophobicContact CE2-CG1 3.83Å; R96-I100 HydrophobicContact CG-CD1 4.15Å; R96-I100 PolarHBondContact O-N 3.27Å; W97-I100 PolarHBondContact O-N 3.33Å; I100-S102 VanDerWaalsContact C-N 3.32Å; I100-S102 PolarHBondContact O-N 3.41Å; I100-L103 PolarHBondContact O-N 3.3Å; I100-L103 VanDerWaalsContact O-N 3.16Å; I100-V104 HydrophobicContact CG2-CG2 4.48Å; I100-V104 WeakPolarHBondContact O-CG2 3.07Å; I100-V104 PolarHBondContact O-N 3.21Å |
| 101 | F | 97.6 | Very high | 94.7 | Very high | 92 Ų | 92 | 66 Ų | 66 | 40% | 0.404 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.2 | -45.7 | 178.6 | 179.4 | -108.7 | 0 | 0 | 0 | 111.5 | W97 L103 V104 C105 L141 L145 | W97-F101 VanDerWaalsContact O-CB 3.27Å; W97-F101 WeakPolarHBondContact O-CB 3.43Å; W97-F101 PolarHBondContact O-N 2.6Å; F101-L103 PolarHBondContact O-N 2.88Å; F101-V104 PolarHBondContact O-N 3.36Å; F101-C105 VanDerWaalsContact CZ-SG 3.56Å; F101-C105 PolarHBondContact O-N 3.33Å; F101-C105 PolarHBondContact O-SG 3.46Å; F101-C105 VanDerWaalsContact O-SG 3.36Å; F101-L141 HydrophobicContact CE1-CD2 4.36Å; F101-L141 HydrophobicContact CZ-CD2 4.38Å; F101-L145 HydrophobicContact CD1-CD1 3.68Å; F101-L145 HydrophobicContact CD1-CD2 4.5Å; F101-L145 HydrophobicContact CE1-CD1 3.77Å |
| 102 | S | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.9 | -46.1 | 175.4 | -177.2 | 0 | 0 | 0 | 0 | 111.8 | L98 I100 C105 F106 Y142 Q146 | L98-S102 WeakPolarHBondContact O-CB 3.2Å; L98-S102 PolarHBondContact O-N 2.88Å; I100-S102 VanDerWaalsContact C-N 3.32Å; I100-S102 PolarHBondContact O-N 3.41Å; S102-C105 PolarHBondContact O-N 3.44Å; S102-F106 WeakPolarHBondContact O-CB 3.22Å; S102-F106 PolarHBondContact O-N 2.85Å; S102-Y142 VanDerWaalsContact O-CD2 3.25Å; S102-Y142 WeakPolarHBondContact O-CD2 3.03Å; S102-Y142 WeakPolarHBondContact OG-CD2 3.34Å; S102-Y142 WeakPolarHBondContact OG-CE2 3.29Å; S102-Q146 PolarHBondContact OG-NE2 2.92Å |
| 103 | L | 97.8 | Very high | 95.8 | Very high | 34 Ų | 34 | 56.4 Ų | 56.4 | 18% | 0.178 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.7 | -46.5 | 176.2 | -179.3 | 64.3 | 0 | 0 | 0 | 111.5 | I83 Y86 N99 I100 F101 C105 F106 S107 | I83-L103 HydrophobicContact CG1-CD1 4.34Å; Y86-L103 HydrophobicContact CD1-CD2 4.24Å; Y86-L103 HydrophobicContact CD2-CB 4.21Å; Y86-L103 HydrophobicContact CD2-CD2 3.92Å; Y86-L103 HydrophobicContact CG-CD2 3.79Å; N99-L103 PolarHBondContact O-N 3.03Å; I100-L103 PolarHBondContact O-N 3.3Å; I100-L103 VanDerWaalsContact O-N 3.16Å; F101-L103 PolarHBondContact O-N 2.88Å; L103-C105 PolarHBondContact O-N 3.23Å; L103-F106 PolarHBondContact O-N 2.93Å; L103-F106 VanDerWaalsContact O-N 3.16Å; L103-S107 PolarHBondContact O-N 3.37Å; L103-S107 PolarHBondContact O-OG 3.43Å |
| 104 | V | 98.4 | Very high | 96.3 | Very high | 82 Ų | 82 | 57.3 Ų | 57.3 | 50% | 0.497 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.6 | -48.9 | 178.7 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | I100 F101 F106 S107 V108 | I100-V104 HydrophobicContact CG2-CG2 4.48Å; I100-V104 WeakPolarHBondContact O-CG2 3.07Å; I100-V104 PolarHBondContact O-N 3.21Å; F101-V104 PolarHBondContact O-N 3.36Å; V104-F106 PolarHBondContact O-N 2.91Å; V104-S107 PolarHBondContact O-N 2.91Å; V104-V108 WeakPolarHBondContact O-CG2 3.41Å; V104-V108 PolarHBondContact O-N 2.9Å |
| 105 | C | 98.3 | Very high | 96.9 | Very high | 8 Ų | 8 | 50.4 Ų | 50.4 | 5% | 0.054 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55.4 | -41.8 | 176.1 | -69.3 | 0 | 0 | 0 | 0 | 111.6 | F101 S102 L103 V108 A109 L138 | F101-C105 VanDerWaalsContact CZ-SG 3.56Å; F101-C105 PolarHBondContact O-N 3.33Å; F101-C105 PolarHBondContact O-SG 3.46Å; F101-C105 VanDerWaalsContact O-SG 3.36Å; S102-C105 PolarHBondContact O-N 3.44Å; L103-C105 PolarHBondContact O-N 3.23Å; C105-V108 PolarHBondContact O-N 3.03Å; C105-A109 WeakPolarHBondContact O-CB 3.49Å; C105-A109 PolarHBondContact O-N 3.45Å; C105-L138 WeakPolarHBondContact O-CB 3.25Å |
| 106 | F | 98.4 | Very high | 97.3 | Very high | 14 Ų | 14 | 45.8 Ų | 45.8 | 6% | 0.061 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -72.3 | -37.2 | -179.3 | -163.9 | -125.3 | 0 | 0 | 0 | 113.4 | A78 S102 L103 V104 V108 A109 C110 Y142 I206 | A78-F106 HydrophobicContact CB-CE1 4.47Å; A78-F106 HydrophobicContact CB-CZ 4.09Å; A78-F106 VanDerWaalsContact O-CE1 3.24Å; A78-F106 WeakPolarHBondContact O-CE1 3.27Å; S102-F106 WeakPolarHBondContact O-CB 3.22Å; S102-F106 PolarHBondContact O-N 2.85Å; L103-F106 PolarHBondContact O-N 2.93Å; L103-F106 VanDerWaalsContact O-N 3.16Å; V104-F106 PolarHBondContact O-N 2.91Å; F106-V108 VanDerWaalsContact C-N 3.32Å; F106-V108 PolarHBondContact O-N 3.33Å; F106-A109 WeakPolarHBondContact O-CB 3.42Å; F106-A109 PolarHBondContact O-N 3.44Å; F106-C110 PolarHBondContact O-N 2.97Å; F106-C110 PolarHBondContact O-SG 2.84Å; F106-Y142 HydrophobicContact CB-CD1 4.33Å; F106-Y142 HydrophobicContact CB-CD2 3.45Å; F106-Y142 VanDerWaalsContact CB-CD2 3.45Å; F106-Y142 HydrophobicContact CB-CE2 3.67Å; F106-Y142 HydrophobicContact CB-CG 3.77Å; F106-Y142 HydrophobicContact CD1-CE1 4.14Å; F106-Y142 HydrophobicContact CD1-CE2 4.19Å; F106-Y142 AromaticContact CD1-CZ 3.92Å; F106-Y142 AromaticContact CD2-CD1 3.31Å; F106-Y142 HydrophobicContact CD2-CD1 3.31Å; F106-Y142 HydrophobicContact CD2-CD2 4.04Å; F106-Y142 AromaticContact CD2-CE1 3.67Å; F106-Y142 HydrophobicContact CD2-CE1 3.67Å; F106-Y142 HydrophobicContact CD2-CE2 4.32Å; F106-Y142 AromaticContact CD2-CG 3.5Å; F106-Y142 HydrophobicContact CD2-CG 3.5Å; F106-Y142 VanDerWaalsContact CD2-CG 3.5Å; F106-Y142 HydrophobicContact CE1-CE1 4.19Å; F106-Y142 AromaticContact CE2-CD1 3.65Å; F106-Y142 HydrophobicContact CE2-CD1 3.65Å; F106-Y142 AromaticContact CE2-CE1 3.78Å; F106-Y142 HydrophobicContact CE2-CE1 3.78Å; F106-Y142 HydrophobicContact CE2-CG 4.3Å; F106-Y142 AromaticContact CG-CD1 3.83Å; F106-Y142 HydrophobicContact CG-CD1 3.83Å; F106-Y142 AromaticContact CG-CD2 3.82Å; F106-Y142 HydrophobicContact CG-CD2 3.82Å; F106-Y142 AromaticContact CG-CE1 3.87Å; F106-Y142 HydrophobicContact CG-CE1 3.87Å; F106-Y142 AromaticContact CG-CE2 3.82Å; F106-Y142 HydrophobicContact CG-CE2 3.82Å; F106-Y142 AromaticContact CG-CG 3.78Å; F106-Y142 HydrophobicContact CG-CG 3.78Å; F106-Y142 AromaticContact CG-CZ 3.84Å; F106-Y142 HydrophobicContact CZ-CD1 4.38Å; F106-Y142 HydrophobicContact CZ-CE1 4.04Å; F106-I206 HydrophobicContact CE2-CD1 4.17Å; F106-I206 HydrophobicContact CZ-CD1 3.77Å |
| 107 | S | 98.6 | Very high | 97.6 | Very high | 36 Ų | 36 | 39.6 Ų | 39.6 | 25% | 0.252 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58.8 | -45.8 | 172.7 | -53.4 | 0 | 0 | 0 | 0 | 111.1 | F79 L103 V104 A109 C110 F111 | F79-S107 WeakPolarHBondContact CE2-OG 3.3Å; L103-S107 PolarHBondContact O-N 3.37Å; L103-S107 PolarHBondContact O-OG 3.43Å; V104-S107 PolarHBondContact O-N 2.91Å; S107-A109 VanDerWaalsContact C-N 3.32Å; S107-A109 PolarHBondContact O-N 3.45Å; S107-C110 PolarHBondContact O-N 3.35Å; S107-F111 PolarHBondContact O-N 3.02Å |
| 108 | V | 98.7 | Very high | 97.8 | Very high | 52 Ų | 52 | 35.3 Ų | 35.3 | 32% | 0.315 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -67 | -35.2 | 176.9 | -177.6 | 0 | 0 | 0 | 0 | 111 | V104 C105 F106 F111 G112 L134 L138 | V104-V108 WeakPolarHBondContact O-CG2 3.41Å; V104-V108 PolarHBondContact O-N 2.9Å; C105-V108 PolarHBondContact O-N 3.03Å; F106-V108 VanDerWaalsContact C-N 3.32Å; F106-V108 PolarHBondContact O-N 3.33Å; V108-F111 PolarHBondContact O-N 3.32Å; V108-G112 PolarHBondContact O-N 3.44Å; V108-L134 HydrophobicContact CG1-CD1 4.41Å; V108-L134 HydrophobicContact CG1-CD2 3.95Å; V108-L138 HydrophobicContact CB-CD1 3.67Å; V108-L138 HydrophobicContact CG1-CD1 3.38Å |
| 109 | A | 98.6 | Very high | 97.9 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 3% | 0.033 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.3 | -41.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | C105 F106 S107 F111 G112 M113 A135 L138 | C105-A109 WeakPolarHBondContact O-CB 3.49Å; C105-A109 PolarHBondContact O-N 3.45Å; F106-A109 WeakPolarHBondContact O-CB 3.42Å; F106-A109 PolarHBondContact O-N 3.44Å; S107-A109 VanDerWaalsContact C-N 3.32Å; S107-A109 PolarHBondContact O-N 3.45Å; A109-F111 VanDerWaalsContact C-N 3.34Å; A109-G112 WeakPolarHBondContact O-CA 3.46Å; A109-G112 PolarHBondContact O-N 3.43Å; A109-G112 VanDerWaalsContact O-N 3.15Å; A109-M113 PolarHBondContact O-N 2.88Å; A109-A135 WeakPolarHBondContact O-CA 3.45Å; A109-L138 HydrophobicContact CB-CB 4.08Å |
| 110 | C | 98.7 | Very high | 97.9 | Very high | 8 Ų | 8 | 41.2 Ų | 41.2 | 5% | 0.054 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.8 | -41.8 | 175.1 | -64.4 | 0 | 0 | 0 | 0 | 111.1 | A75 F79 F106 S107 G112 M113 T114 | A75-C110 HydrophobicContact CB-CB 4.41Å; A75-C110 WeakPolarHBondContact CB-O 3.45Å; F79-C110 HydrophobicContact CB-CB 4.31Å; F106-C110 PolarHBondContact O-N 2.97Å; F106-C110 PolarHBondContact O-SG 2.84Å; S107-C110 PolarHBondContact O-N 3.35Å; C110-G112 VanDerWaalsContact C-N 3.33Å; C110-G112 PolarHBondContact O-N 3.02Å; C110-M113 VanDerWaalsContact O-CB 3.32Å; C110-M113 WeakPolarHBondContact O-CB 3.21Å; C110-M113 PolarHBondContact O-N 2.83Å; C110-M113 VanDerWaalsContact O-N 3.1Å; C110-T114 PolarHBondContact O-N 3.24Å; C110-T114 VanDerWaalsContact O-N 3.1Å |
| 111 | F | 98.6 | Very high | 97.8 | Very high | 120 Ų | 120 | 38.5 Ų | 38.5 | 53% | 0.526 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.5 | -38.4 | 171.7 | 178 | -111.4 | 0 | 0 | 0 | 112.7 | S107 V108 A109 M113 T114 I115 L134 | S107-F111 PolarHBondContact O-N 3.02Å; V108-F111 PolarHBondContact O-N 3.32Å; A109-F111 VanDerWaalsContact C-N 3.34Å; F111-M113 VanDerWaalsContact C-N 3.26Å; F111-M113 PolarHBondContact O-N 2.88Å; F111-T114 PolarHBondContact O-N 3.11Å; F111-T114 PolarHBondContact O-OG1 3.2Å; F111-I115 HydrophobicContact CD1-CD1 4.02Å; F111-I115 HydrophobicContact CE1-CD1 3.5Å; F111-I115 VanDerWaalsContact CE1-CD1 3.5Å; F111-I115 HydrophobicContact CE1-CG1 4.28Å; F111-I115 HydrophobicContact CZ-CD1 3.81Å; F111-I115 HydrophobicContact CZ-CG1 4.2Å; F111-I115 PolarHBondContact O-N 2.98Å; F111-L134 HydrophobicContact CD1-CD1 4.46Å |
| 112 | G | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.7 | -40.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V108 A109 C110 I115 V116 G131 | V108-G112 PolarHBondContact O-N 3.44Å; A109-G112 WeakPolarHBondContact O-CA 3.46Å; A109-G112 PolarHBondContact O-N 3.43Å; A109-G112 VanDerWaalsContact O-N 3.15Å; C110-G112 VanDerWaalsContact C-N 3.33Å; C110-G112 PolarHBondContact O-N 3.02Å; G112-I115 WeakPolarHBondContact O-CB 3.48Å; G112-I115 PolarHBondContact O-N 3.26Å; G112-V116 WeakPolarHBondContact O-CG2 3.01Å; G112-V116 PolarHBondContact O-N 3.45Å; G112-G131 CarbonylContact C-O 3.54Å; G112-G131 WeakPolarHBondContact CA-O 3.42Å |
| 113 | M | 98.1 | Very high | 97.4 | Very high | 46 Ų | 46 | 44.3 Ų | 44.3 | 23% | 0.227 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.7 | -39.2 | 178.1 | -167.4 | -174.1 | -56.5 | 0 | 0 | 112.3 | L71 T74 A75 A109 C110 F111 I115 V116 G117 A135 | L71-M113 HydrophobicContact CB-CG 4.27Å; L71-M113 HydrophobicContact CD1-CG 4.44Å; L71-M113 HydrophobicContact CD2-CG 4.13Å; L71-M113 HydrophobicContact CD2-SD 4.3Å; T74-M113 HydrophobicContact CG2-CE 4.23Å; T74-M113 HydrophobicContact CG2-SD 3.58Å; T74-M113 VanDerWaalsContact CG2-SD 3.58Å; A75-M113 HydrophobicContact CB-CB 4.1Å; A75-M113 HydrophobicContact CB-CG 4.31Å; A75-M113 HydrophobicContact CB-SD 4.01Å; A109-M113 PolarHBondContact O-N 2.88Å; C110-M113 VanDerWaalsContact O-CB 3.32Å; C110-M113 WeakPolarHBondContact O-CB 3.21Å; C110-M113 PolarHBondContact O-N 2.83Å; C110-M113 VanDerWaalsContact O-N 3.1Å; F111-M113 VanDerWaalsContact C-N 3.26Å; F111-M113 PolarHBondContact O-N 2.88Å; M113-I115 VanDerWaalsContact C-N 3.33Å; M113-V116 PolarHBondContact O-N 3.18Å; M113-G117 PolarHBondContact O-N 3.48Å; M113-A135 HydrophobicContact CB-CB 4.45Å |
| 114 | T | 98.4 | Very high | 97.4 | Very high | 38 Ų | 38 | 46.5 Ų | 46.5 | 23% | 0.233 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65 | -38.5 | 173.5 | 61.8 | 0 | 0 | 0 | 0 | 111.2 | N72 A75 C110 F111 G117 N118 | N72-T114 WeakPolarHBondContact OD1-CB 3.37Å; N72-T114 WeakPolarHBondContact OD1-CG2 3.28Å; A75-T114 HydrophobicContact CB-CG2 3.58Å; C110-T114 PolarHBondContact O-N 3.24Å; C110-T114 VanDerWaalsContact O-N 3.1Å; F111-T114 PolarHBondContact O-N 3.11Å; F111-T114 PolarHBondContact O-OG1 3.2Å; T114-G117 PolarHBondContact O-N 2.86Å; T114-N118 PolarHBondContact O-N 3.48Å; T114-N118 VanDerWaalsContact O-N 3.11Å; T114-N118 PolarHBondContact O-ND2 3.19Å |
| 115 | I | 98.5 | Very high | 97.1 | Very high | 23 Ų | 23 | 50.4 Ų | 50.4 | 12% | 0.118 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.9 | -49.5 | 173.2 | -69.3 | 173.2 | 0 | 0 | 0 | 110.4 | F111 G112 M113 G117 N118 F119 I127 L134 | F111-I115 HydrophobicContact CD1-CD1 4.02Å; F111-I115 HydrophobicContact CE1-CD1 3.5Å; F111-I115 VanDerWaalsContact CE1-CD1 3.5Å; F111-I115 HydrophobicContact CE1-CG1 4.28Å; F111-I115 HydrophobicContact CZ-CD1 3.81Å; F111-I115 HydrophobicContact CZ-CG1 4.2Å; F111-I115 PolarHBondContact O-N 2.98Å; G112-I115 WeakPolarHBondContact O-CB 3.48Å; G112-I115 PolarHBondContact O-N 3.26Å; M113-I115 VanDerWaalsContact C-N 3.33Å; I115-G117 VanDerWaalsContact C-N 3.26Å; I115-G117 PolarHBondContact O-N 3.23Å; I115-N118 PolarHBondContact O-N 2.87Å; I115-F119 HydrophobicContact CB-CD2 4.35Å; I115-F119 HydrophobicContact CG2-CD2 3.85Å; I115-F119 WeakPolarHBondContact O-CB 3.29Å; I115-F119 WeakPolarHBondContact O-CD2 3.33Å; I115-F119 PolarHBondContact O-N 2.9Å; I115-I127 HydrophobicContact CG2-CG2 3.64Å; I115-I127 WeakPolarHBondContact CG2-O 3.42Å; I115-L134 HydrophobicContact CD1-CD1 4.43Å |
| 116 | V | 97.9 | Very high | 97.1 | Very high | 17 Ų | 17 | 55.3 Ų | 55.3 | 10% | 0.103 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.2 | -39 | 179.6 | 171.7 | 0 | 0 | 0 | 0 | 111.9 | F67 L71 G112 M113 G131 T132 | F67-V116 HydrophobicContact CE1-CG1 4.35Å; F67-V116 WeakPolarHBondContact CE1-O 3.27Å; F67-V116 HydrophobicContact CZ-CG1 4.2Å; L71-V116 HydrophobicContact CD1-CB 4.28Å; L71-V116 HydrophobicContact CD1-CG1 3.8Å; G112-V116 WeakPolarHBondContact O-CG2 3.01Å; G112-V116 PolarHBondContact O-N 3.45Å; M113-V116 PolarHBondContact O-N 3.18Å; V116-G131 VanDerWaalsContact CG2-C 3.42Å; V116-T132 VanDerWaalsContact CG2-N 3.32Å |
| 117 | G | 97 | Very high | 97 | Very high | 6 Ų | 6 | 57.9 Ų | 57.9 | 6% | 0.062 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -70.6 | -34.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | S68 M113 T114 I115 | S68-G117 VanDerWaalsContact CA-O 3.29Å; S68-G117 WeakPolarHBondContact CA-O 3.32Å; S68-G117 WeakPolarHBondContact CB-O 3.49Å; M113-G117 PolarHBondContact O-N 3.48Å; T114-G117 PolarHBondContact O-N 2.86Å; I115-G117 VanDerWaalsContact C-N 3.26Å; I115-G117 PolarHBondContact O-N 3.23Å |
| 118 | N | 97.8 | Very high | 97 | Very high | 71 Ų | 71 | 56.3 Ų | 56.3 | 38% | 0.38 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -100.4 | -24.7 | -172.4 | -66.6 | -75.6 | 0 | 0 | 0 | 114.3 | S68 N72 T114 I115 Q120 | S68-N118 PolarHBondContact OG-OD1 3.16Å; N72-N118 PolarHBondContact ND2-ND2 2.91Å; N72-N118 VanDerWaalsContact ND2-ND2 3.18Å; N72-N118 PolarHBondContact ND2-OD1 2.97Å; N72-N118 PolarHBondContact OD1-ND2 3.42Å; T114-N118 PolarHBondContact O-N 3.48Å; T114-N118 VanDerWaalsContact O-N 3.11Å; T114-N118 PolarHBondContact O-ND2 3.19Å; I115-N118 PolarHBondContact O-N 2.87Å; N118-Q120 PolarHBondContact O-OE1 3.5Å |
| 119 | F | 97.2 | Very high | 96.8 | Very high | 80 Ų | 80 | 56.2 Ų | 56.2 | 35% | 0.351 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -105.9 | 109.1 | 179.8 | -66.1 | -87.5 | 0 | 0 | 0 | 109.5 | I115 M124 I127 H128 | I115-F119 HydrophobicContact CB-CD2 4.35Å; I115-F119 HydrophobicContact CG2-CD2 3.85Å; I115-F119 WeakPolarHBondContact O-CB 3.29Å; I115-F119 WeakPolarHBondContact O-CD2 3.33Å; I115-F119 PolarHBondContact O-N 2.9Å; F119-M124 HydrophobicContact CB-CB 4.13Å; F119-M124 HydrophobicContact CD1-CB 4.2Å; F119-M124 HydrophobicContact CD1-CE 4.45Å; F119-M124 HydrophobicContact CD1-CG 4.14Å; F119-I127 HydrophobicContact CB-CG2 4.08Å; F119-I127 HydrophobicContact CD1-CB 4.46Å; F119-I127 HydrophobicContact CD1-CD1 4.4Å; F119-I127 HydrophobicContact CD1-CG2 3.9Å; F119-I127 HydrophobicContact CD2-CG2 3.86Å; F119-I127 HydrophobicContact CE1-CD1 4.3Å; F119-I127 HydrophobicContact CE1-CG2 4.29Å; F119-I127 HydrophobicContact CE2-CG2 4.25Å; F119-I127 HydrophobicContact CG-CB 4.46Å; F119-I127 HydrophobicContact CG-CG2 3.66Å; F119-I127 HydrophobicContact CZ-CG2 4.45Å; F119-H128 PolarHBondContact O-ND1 3.26Å |
| 120 | Q | 95.4 | Very high | 96.8 | Very high | 62 Ų | 62 | 57.7 Ų | 57.7 | 29% | 0.29 | 29% | 0.292 | S | S | . | . | trans | -64.7 | 141.1 | -177.8 | -68.3 | 83.7 | -17 | 0 | 0 | 111.2 | N118 L122 E123 M124 | N118-Q120 PolarHBondContact O-OE1 3.5Å; Q120-L122 VanDerWaalsContact C-N 3.31Å; Q120-L122 PolarHBondContact O-N 3Å; Q120-E123 HydrophobicContact CB-CB 4.38Å; Q120-E123 HydrophobicContact CB-CG 4.29Å; Q120-E123 PolarHBondContact O-N 3.46Å; Q120-M124 PolarHBondContact O-N 3.07Å | ||
| 121 | L | 94.2 | Very high | 96.7 | Very high | 16 Ų | 16 | 57.3 Ų | 57.3 | 8% | 0.084 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -37.9 | -176.2 | 175.3 | 64.5 | 0 | 0 | 0 | 113 | F56 N59 W125 H128 | F56-L121 HydrophobicContact CD2-CD2 3.9Å; F56-L121 HydrophobicContact CE2-CD2 3.71Å; F56-L121 HydrophobicContact CG-CD2 4.44Å; F56-L121 HydrophobicContact CZ-CD2 4.05Å; N59-L121 PolarHBondContact OD1-N 3.43Å; L121-W125 VanDerWaalsContact O-CA 3.31Å; L121-W125 WeakPolarHBondContact O-CA 3.4Å; L121-H128 HydrophobicContact CD1-CB 4.41Å |
| 122 | L | 92.9 | Very high | 96.6 | Very high | 70 Ų | 70 | 52.9 Ų | 52.9 | 37% | 0.366 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -38.6 | -177.1 | -69.4 | 178.3 | 0 | 0 | 0 | 112.6 | Y50 F56 N59 F60 Q120 | Y50-L122 HydrophobicContact CE1-CD1 4.27Å; Y50-L122 HydrophobicContact CE2-CD1 4.4Å; F56-L122 HydrophobicContact CE1-CD2 3.84Å; F56-L122 HydrophobicContact CE1-CG 4.31Å; F56-L122 HydrophobicContact CZ-CD2 4.48Å; N59-L122 HydrophobicContact CB-CD1 4.11Å; N59-L122 HydrophobicContact CB-CG 4.46Å; N59-L122 WeakPolarHBondContact OD1-CB 3.39Å; N59-L122 WeakPolarHBondContact OD1-CG 3.31Å; N59-L122 PolarHBondContact OD1-N 3.16Å; F60-L122 HydrophobicContact CE1-CD1 4.31Å; F60-L122 HydrophobicContact CE2-CD1 4.04Å; F60-L122 HydrophobicContact CZ-CD1 3.5Å; F60-L122 VanDerWaalsContact CZ-CD1 3.5Å; Q120-L122 VanDerWaalsContact C-N 3.31Å; Q120-L122 PolarHBondContact O-N 3Å |
| 123 | E | 94.3 | Very high | 96.5 | Very high | 144 Ų | 144 | 57.8 Ų | 57.8 | 67% | 0.673 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -43 | -177.5 | -59.9 | -56.8 | 140.5 | 0 | 0 | 111.8 | Q120 | Q120-E123 HydrophobicContact CB-CB 4.38Å; Q120-E123 HydrophobicContact CB-CG 4.29Å; Q120-E123 PolarHBondContact O-N 3.46Å |
| 124 | M | 95.9 | Very high | 96.5 | Very high | 79 Ų | 79 | 58 Ų | 58 | 39% | 0.389 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -126.4 | 53.4 | -169.2 | -64.9 | -64 | -66.8 | 0 | 0 | 111 | F119 Q120 V126 I127 H128 | F119-M124 HydrophobicContact CB-CB 4.13Å; F119-M124 HydrophobicContact CD1-CB 4.2Å; F119-M124 HydrophobicContact CD1-CE 4.45Å; F119-M124 HydrophobicContact CD1-CG 4.14Å; Q120-M124 PolarHBondContact O-N 3.07Å; M124-V126 VanDerWaalsContact C-N 3.34Å; M124-V126 PolarHBondContact O-N 2.93Å; M124-I127 HydrophobicContact CB-CB 4.41Å; M124-I127 HydrophobicContact CE-CD1 3.28Å; M124-I127 HydrophobicContact CE-CG1 3.97Å; M124-I127 PolarHBondContact O-N 3.41Å; M124-I127 VanDerWaalsContact O-N 3.12Å; M124-H128 WeakPolarHBondContact O-CB 3.42Å; M124-H128 PolarHBondContact O-N 3.03Å |
| 125 | W | 94 | Very high | 96.5 | Very high | 165 Ų | 165 | 56.8 Ų | 56.8 | 63% | 0.625 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -50.6 | -46.5 | -171.3 | -174.4 | 89.4 | 0 | 0 | 0 | 114.2 | L121 N129 | L121-W125 VanDerWaalsContact O-CA 3.31Å; L121-W125 WeakPolarHBondContact O-CA 3.4Å; W125-N129 VanDerWaalsContact CD2-ND2 3.34Å; W125-N129 PolarHBondContact NE1-ND2 3.18Å; W125-N129 VanDerWaalsContact NE1-ND2 3.18Å; W125-N129 WeakPolarHBondContact O-CB 3.38Å; W125-N129 PolarHBondContact O-N 3.37Å; W125-N129 PolarHBondContact O-ND2 3.21Å |
| 126 | V | 97 | Very high | 96.4 | Very high | 111 Ų | 111 | 57.9 Ų | 57.9 | 67% | 0.673 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -63.7 | -47.1 | -178.6 | 178.3 | 0 | 0 | 0 | 0 | 110.9 | M124 G130 | M124-V126 VanDerWaalsContact C-N 3.34Å; M124-V126 PolarHBondContact O-N 2.93Å; V126-G130 PolarHBondContact O-N 2.83Å |
| 127 | I | 97.5 | Very high | 96.4 | Very high | 68 Ų | 68 | 58.7 Ų | 58.7 | 35% | 0.349 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68 | -45.5 | -178.5 | -59.3 | -168.3 | 0 | 0 | 0 | 110.4 | I115 F119 M124 N129 G130 G131 | I115-I127 HydrophobicContact CG2-CG2 3.64Å; I115-I127 WeakPolarHBondContact CG2-O 3.42Å; F119-I127 HydrophobicContact CB-CG2 4.08Å; F119-I127 HydrophobicContact CD1-CB 4.46Å; F119-I127 HydrophobicContact CD1-CD1 4.4Å; F119-I127 HydrophobicContact CD1-CG2 3.9Å; F119-I127 HydrophobicContact CD2-CG2 3.86Å; F119-I127 HydrophobicContact CE1-CD1 4.3Å; F119-I127 HydrophobicContact CE1-CG2 4.29Å; F119-I127 HydrophobicContact CE2-CG2 4.25Å; F119-I127 HydrophobicContact CG-CB 4.46Å; F119-I127 HydrophobicContact CG-CG2 3.66Å; F119-I127 HydrophobicContact CZ-CG2 4.45Å; M124-I127 HydrophobicContact CB-CB 4.41Å; M124-I127 HydrophobicContact CE-CD1 3.28Å; M124-I127 HydrophobicContact CE-CG1 3.97Å; M124-I127 PolarHBondContact O-N 3.41Å; M124-I127 VanDerWaalsContact O-N 3.12Å; I127-N129 PolarHBondContact O-N 3.16Å; I127-G130 PolarHBondContact O-N 2.93Å; I127-G131 PolarHBondContact O-N 3.43Å |
| 128 | H | 97.1 | Very high | 96.4 | Very high | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.009 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.8 | -45.3 | 178.6 | -174.7 | 98.2 | 0 | 0 | 0 | 112 | S55 F119 L121 M124 G131 T132 | S55-H128 WeakPolarHBondContact CB-NE2 3.34Å; F119-H128 PolarHBondContact O-ND1 3.26Å; L121-H128 HydrophobicContact CD1-CB 4.41Å; M124-H128 WeakPolarHBondContact O-CB 3.42Å; M124-H128 PolarHBondContact O-N 3.03Å; H128-G131 PolarHBondContact O-N 3.34Å; H128-T132 WeakPolarHBondContact O-CB 3.49Å; H128-T132 PolarHBondContact O-N 3.49Å; H128-T132 PolarHBondContact O-OG1 2.92Å |
| 129 | N | 95.3 | Very high | 96.5 | Very high | 51 Ų | 51 | 57.5 Ų | 57.5 | 27% | 0.273 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -70.1 | -33.4 | 177.9 | -76.3 | -71.7 | 0 | 0 | 0 | 112.3 | W125 I127 T132 L133 | W125-N129 VanDerWaalsContact CD2-ND2 3.34Å; W125-N129 PolarHBondContact NE1-ND2 3.18Å; W125-N129 VanDerWaalsContact NE1-ND2 3.18Å; W125-N129 WeakPolarHBondContact O-CB 3.38Å; W125-N129 PolarHBondContact O-N 3.37Å; W125-N129 PolarHBondContact O-ND2 3.21Å; I127-N129 PolarHBondContact O-N 3.16Å; N129-T132 WeakPolarHBondContact O-CB 3.33Å; N129-T132 PolarHBondContact O-N 3.33Å; N129-L133 PolarHBondContact O-N 2.93Å |
| 130 | G | 97.8 | Very high | 96.5 | Very high | 34 Ų | 34 | 54.6 Ų | 54.6 | 35% | 0.351 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.2 | -51 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V126 I127 T132 L133 L134 | V126-G130 PolarHBondContact O-N 2.83Å; I127-G130 PolarHBondContact O-N 2.93Å; G130-T132 VanDerWaalsContact C-N 3.3Å; G130-T132 PolarHBondContact O-N 3.07Å; G130-L133 PolarHBondContact O-N 3.48Å; G130-L134 WeakPolarHBondContact O-CG 3.37Å; G130-L134 PolarHBondContact O-N 3.48Å |
| 131 | G | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.4 | -40.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G112 V116 I127 H128 L133 L134 A135 | G112-G131 CarbonylContact C-O 3.54Å; G112-G131 WeakPolarHBondContact CA-O 3.42Å; V116-G131 VanDerWaalsContact CG2-C 3.42Å; I127-G131 PolarHBondContact O-N 3.43Å; H128-G131 PolarHBondContact O-N 3.34Å; G131-L133 PolarHBondContact O-N 2.92Å; G131-L134 PolarHBondContact O-N 3.14Å; G131-A135 WeakPolarHBondContact O-CB 3.35Å; G131-A135 PolarHBondContact O-N 3.32Å |
| 132 | T | 96.3 | Very high | 96.8 | Very high | 28 Ų | 28 | 54 Ų | 54 | 17% | 0.172 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 177.5 | -59.4 | 0 | 0 | 0 | 0 | 111.5 | V116 H128 N129 G130 A135 F136 | V116-T132 VanDerWaalsContact CG2-N 3.32Å; H128-T132 WeakPolarHBondContact O-CB 3.49Å; H128-T132 PolarHBondContact O-N 3.49Å; H128-T132 PolarHBondContact O-OG1 2.92Å; N129-T132 WeakPolarHBondContact O-CB 3.33Å; N129-T132 PolarHBondContact O-N 3.33Å; G130-T132 VanDerWaalsContact C-N 3.3Å; G130-T132 PolarHBondContact O-N 3.07Å; T132-A135 PolarHBondContact O-N 3.32Å; T132-F136 HydrophobicContact CG2-CD2 3.58Å; T132-F136 HydrophobicContact CG2-CE2 3.8Å; T132-F136 PolarHBondContact O-N 3.35Å |
| 133 | L | 96.6 | Very high | 97.1 | Very high | 102 Ų | 102 | 50.8 Ų | 50.8 | 53% | 0.534 | 27% | 0.272 | S | S | . | . | I | π-helix | trans | -63.8 | -43.3 | 175.8 | 179.7 | 65.4 | 0 | 0 | 0 | 111.4 | N129 G130 G131 G137 | N129-L133 PolarHBondContact O-N 2.93Å; G130-L133 PolarHBondContact O-N 3.48Å; G131-L133 PolarHBondContact O-N 2.92Å; L133-G137 WeakPolarHBondContact O-CA 3.44Å; L133-G137 PolarHBondContact O-N 2.84Å |
| 134 | L | 98.1 | Very high | 97.3 | Very high | 52 Ų | 52 | 48.7 Ų | 48.7 | 27% | 0.272 | 26% | 0.258 | S | S | . | . | I | π-helix | trans | -62.9 | -50.2 | 176 | -64.8 | 178.9 | 0 | 0 | 0 | 111 | V108 F111 I115 G130 G131 L138 | V108-L134 HydrophobicContact CG1-CD1 4.41Å; V108-L134 HydrophobicContact CG1-CD2 3.95Å; F111-L134 HydrophobicContact CD1-CD1 4.46Å; I115-L134 HydrophobicContact CD1-CD1 4.43Å; G130-L134 WeakPolarHBondContact O-CG 3.37Å; G130-L134 PolarHBondContact O-N 3.48Å; G131-L134 PolarHBondContact O-N 3.14Å; L134-L138 HydrophobicContact CD2-CD1 4.02Å; L134-L138 VanDerWaalsContact O-CB 3.31Å; L134-L138 WeakPolarHBondContact O-CB 3.44Å; L134-L138 PolarHBondContact O-N 3.35Å; L134-L138 VanDerWaalsContact O-N 3.15Å |
| 135 | A | 97.9 | Very high | 97.3 | Very high | 12 Ų | 12 | 46 Ų | 46 | 10% | 0.099 | 25% | 0.246 | C | C | . | . | I | π-helix | trans | -62.2 | -54.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A109 M113 G131 T132 G139 | A109-A135 WeakPolarHBondContact O-CA 3.45Å; M113-A135 HydrophobicContact CB-CB 4.45Å; G131-A135 WeakPolarHBondContact O-CB 3.35Å; G131-A135 PolarHBondContact O-N 3.32Å; T132-A135 PolarHBondContact O-N 3.32Å; A135-G139 VanDerWaalsContact O-CA 3.29Å; A135-G139 WeakPolarHBondContact O-CA 3.41Å; A135-G139 PolarHBondContact O-N 3.4Å; A135-G139 VanDerWaalsContact O-N 3.13Å |
| 136 | F | 96.6 | Very high | 97.4 | Very high | 46 Ų | 46 | 38.3 Ų | 38.3 | 20% | 0.202 | 22% | 0.216 | C | C | . | . | I | π-helix | trans | -84.1 | -37.2 | -176.4 | -63.8 | -35.7 | 0 | 0 | 0 | 113.2 | T132 N140 I177 V198 V199 F202 | T132-F136 HydrophobicContact CG2-CD2 3.58Å; T132-F136 HydrophobicContact CG2-CE2 3.8Å; T132-F136 PolarHBondContact O-N 3.35Å; F136-N140 WeakPolarHBondContact O-CB 3.48Å; F136-N140 PolarHBondContact O-N 3.46Å; F136-I177 HydrophobicContact CB-CD1 4.25Å; F136-V198 HydrophobicContact CD1-CG1 4.18Å; F136-V198 HydrophobicContact CE1-CG1 4.27Å; F136-V198 HydrophobicContact CG-CG1 4.49Å; F136-V199 HydrophobicContact CE1-CG2 4.02Å; F136-V199 HydrophobicContact CZ-CG2 3.8Å; F136-F202 HydrophobicContact CB-CE2 4.43Å; F136-F202 HydrophobicContact CD1-CD2 4.09Å; F136-F202 AromaticContact CD1-CE2 3.68Å; F136-F202 HydrophobicContact CD1-CE2 3.68Å; F136-F202 HydrophobicContact CE1-CD2 4.41Å; F136-F202 HydrophobicContact CE1-CE2 4.43Å; F136-F202 HydrophobicContact CG-CE2 4.41Å |
| 137 | G | 97.1 | Very high | 97.3 | Very high | 34 Ų | 34 | 33 Ų | 33 | 35% | 0.351 | 18% | 0.184 | S | C | . | . | I | π-helix | trans | -67.1 | -59.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L133 G139 N140 L141 | L133-G137 WeakPolarHBondContact O-CA 3.44Å; L133-G137 PolarHBondContact O-N 2.84Å; G137-G139 VanDerWaalsContact C-N 3.34Å; G137-N140 PolarHBondContact O-N 3.24Å; G137-L141 PolarHBondContact O-N 3.14Å |
| 138 | L | 98.2 | Very high | 97.1 | Very high | 47 Ų | 47 | 34.7 Ų | 34.7 | 25% | 0.246 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -72.7 | -29.1 | 179.3 | -59.9 | 176.2 | 0 | 0 | 0 | 112.1 | C105 V108 A109 L134 L141 Y142 | C105-L138 WeakPolarHBondContact O-CB 3.25Å; V108-L138 HydrophobicContact CB-CD1 3.67Å; V108-L138 HydrophobicContact CG1-CD1 3.38Å; A109-L138 HydrophobicContact CB-CB 4.08Å; L134-L138 HydrophobicContact CD2-CD1 4.02Å; L134-L138 VanDerWaalsContact O-CB 3.31Å; L134-L138 WeakPolarHBondContact O-CB 3.44Å; L134-L138 PolarHBondContact O-N 3.35Å; L134-L138 VanDerWaalsContact O-N 3.15Å; L138-L141 HydrophobicContact CD2-CD2 4.28Å; L138-L141 PolarHBondContact O-N 2.93Å; L138-Y142 WeakPolarHBondContact O-CB 3.33Å; L138-Y142 PolarHBondContact O-N 3.23Å |
| 139 | G | 98.1 | Very high | 97 | Very high | 4 Ų | 4 | 34.6 Ų | 34.6 | 4% | 0.041 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.5 | -45.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A135 G137 Y142 C143 F202 | A135-G139 VanDerWaalsContact O-CA 3.29Å; A135-G139 WeakPolarHBondContact O-CA 3.41Å; A135-G139 PolarHBondContact O-N 3.4Å; A135-G139 VanDerWaalsContact O-N 3.13Å; G137-G139 VanDerWaalsContact C-N 3.34Å; G139-Y142 WeakPolarHBondContact O-CB 3.42Å; G139-Y142 PolarHBondContact O-N 3.01Å; G139-C143 PolarHBondContact O-N 2.96Å; G139-C143 PolarHBondContact O-SG 2.84Å; G139-F202 VanDerWaalsContact C-CE1 3.47Å |
| 140 | N | 98.2 | Very high | 96.8 | Very high | 20 Ų | 20 | 32.4 Ų | 32.4 | 11% | 0.107 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67 | -40.8 | 177.6 | -173.4 | 45.7 | 0 | 0 | 0 | 111.5 | F136 G137 Y142 C143 W144 I173 T174 I177 F202 | F136-N140 WeakPolarHBondContact O-CB 3.48Å; F136-N140 PolarHBondContact O-N 3.46Å; G137-N140 PolarHBondContact O-N 3.24Å; N140-Y142 VanDerWaalsContact C-N 3.28Å; N140-Y142 PolarHBondContact O-N 2.97Å; N140-C143 WeakPolarHBondContact O-CB 3.47Å; N140-C143 PolarHBondContact O-N 3.43Å; N140-C143 VanDerWaalsContact O-N 3.12Å; N140-W144 VanDerWaalsContact O-CD1 3.3Å; N140-W144 PolarHBondContact O-N 3.25Å; N140-I173 HydrophobicContact CB-CG2 4.27Å; N140-I173 WeakPolarHBondContact OD1-CG2 3.4Å; N140-T174 PolarHBondContact ND2-OG1 3.3Å; N140-T174 PolarHBondContact OD1-OG1 2.94Å; N140-I177 HydrophobicContact CB-CD1 4.07Å; N140-F202 HydrophobicContact CB-CZ 4Å |
| 141 | L | 98.2 | Very high | 96.4 | Very high | 64 Ų | 64 | 36.4 Ų | 36.4 | 34% | 0.335 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -57.7 | -43.2 | 172.4 | 178.5 | 60.1 | 0 | 0 | 0 | 111.2 | F101 G137 L138 C143 W144 L145 | F101-L141 HydrophobicContact CE1-CD2 4.36Å; F101-L141 HydrophobicContact CZ-CD2 4.38Å; G137-L141 PolarHBondContact O-N 3.14Å; L138-L141 HydrophobicContact CD2-CD2 4.28Å; L138-L141 PolarHBondContact O-N 2.93Å; L141-C143 VanDerWaalsContact C-N 3.35Å; L141-C143 PolarHBondContact O-N 3.5Å; L141-W144 PolarHBondContact O-N 2.72Å; L141-L145 HydrophobicContact CD1-CD1 4.32Å; L141-L145 HydrophobicContact CD1-CG 4.28Å; L141-L145 HydrophobicContact CG-CD1 4.04Å; L141-L145 HydrophobicContact CG-CG 4.45Å; L141-L145 VanDerWaalsContact O-CG 3.3Å; L141-L145 WeakPolarHBondContact O-CG 3.45Å; L141-L145 PolarHBondContact O-N 3.35Å |
| 142 | Y | 98.1 | Very high | 96 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 0% | 0.004 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.3 | -43.2 | 173.8 | 175.1 | -102.4 | 0 | 0 | 0 | 112.3 | S102 F106 L138 G139 N140 W144 L145 Q146 F209 | S102-Y142 VanDerWaalsContact O-CD2 3.25Å; S102-Y142 WeakPolarHBondContact O-CD2 3.03Å; S102-Y142 WeakPolarHBondContact OG-CD2 3.34Å; S102-Y142 WeakPolarHBondContact OG-CE2 3.29Å; F106-Y142 HydrophobicContact CB-CD1 4.33Å; F106-Y142 HydrophobicContact CB-CD2 3.45Å; F106-Y142 VanDerWaalsContact CB-CD2 3.45Å; F106-Y142 HydrophobicContact CB-CE2 3.67Å; F106-Y142 HydrophobicContact CB-CG 3.77Å; F106-Y142 HydrophobicContact CD1-CE1 4.14Å; F106-Y142 HydrophobicContact CD1-CE2 4.19Å; F106-Y142 AromaticContact CD1-CZ 3.92Å; F106-Y142 AromaticContact CD2-CD1 3.31Å; F106-Y142 HydrophobicContact CD2-CD1 3.31Å; F106-Y142 HydrophobicContact CD2-CD2 4.04Å; F106-Y142 AromaticContact CD2-CE1 3.67Å; F106-Y142 HydrophobicContact CD2-CE1 3.67Å; F106-Y142 HydrophobicContact CD2-CE2 4.32Å; F106-Y142 AromaticContact CD2-CG 3.5Å; F106-Y142 HydrophobicContact CD2-CG 3.5Å; F106-Y142 VanDerWaalsContact CD2-CG 3.5Å; F106-Y142 HydrophobicContact CE1-CE1 4.19Å; F106-Y142 AromaticContact CE2-CD1 3.65Å; F106-Y142 HydrophobicContact CE2-CD1 3.65Å; F106-Y142 AromaticContact CE2-CE1 3.78Å; F106-Y142 HydrophobicContact CE2-CE1 3.78Å; F106-Y142 HydrophobicContact CE2-CG 4.3Å; F106-Y142 AromaticContact CG-CD1 3.83Å; F106-Y142 HydrophobicContact CG-CD1 3.83Å; F106-Y142 AromaticContact CG-CD2 3.82Å; F106-Y142 HydrophobicContact CG-CD2 3.82Å; F106-Y142 AromaticContact CG-CE1 3.87Å; F106-Y142 HydrophobicContact CG-CE1 3.87Å; F106-Y142 AromaticContact CG-CE2 3.82Å; F106-Y142 HydrophobicContact CG-CE2 3.82Å; F106-Y142 AromaticContact CG-CG 3.78Å; F106-Y142 HydrophobicContact CG-CG 3.78Å; F106-Y142 AromaticContact CG-CZ 3.84Å; F106-Y142 HydrophobicContact CZ-CD1 4.38Å; F106-Y142 HydrophobicContact CZ-CE1 4.04Å; L138-Y142 WeakPolarHBondContact O-CB 3.33Å; L138-Y142 PolarHBondContact O-N 3.23Å; G139-Y142 WeakPolarHBondContact O-CB 3.42Å; G139-Y142 PolarHBondContact O-N 3.01Å; N140-Y142 VanDerWaalsContact C-N 3.28Å; N140-Y142 PolarHBondContact O-N 2.97Å; Y142-W144 PolarHBondContact O-N 3.26Å; Y142-L145 PolarHBondContact O-N 2.87Å; Y142-Q146 HydrophobicContact CD1-CG 4.16Å; Y142-Q146 HydrophobicContact CD2-CG 3.84Å; Y142-Q146 HydrophobicContact CE1-CG 3.73Å; Y142-Q146 HydrophobicContact CE2-CG 3.41Å; Y142-Q146 VanDerWaalsContact CE2-CG 3.41Å; Y142-Q146 HydrophobicContact CG-CG 4.23Å; Y142-Q146 WeakPolarHBondContact O-CB 3.29Å; Y142-Q146 WeakPolarHBondContact O-CG 3.35Å; Y142-Q146 PolarHBondContact O-N 3.42Å; Y142-F209 HydrophobicContact CE1-CE2 4.01Å; Y142-F209 AromaticContact CE1-CZ 3.97Å; Y142-F209 HydrophobicContact CE1-CZ 3.97Å |
| 143 | C | 98.1 | Very high | 95.5 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.6 | -45.7 | 175.9 | -63.4 | 0 | 0 | 0 | 0 | 111.9 | G139 N140 L141 Q146 S147 S170 F202 Y205 | G139-C143 PolarHBondContact O-N 2.96Å; G139-C143 PolarHBondContact O-SG 2.84Å; N140-C143 WeakPolarHBondContact O-CB 3.47Å; N140-C143 PolarHBondContact O-N 3.43Å; N140-C143 VanDerWaalsContact O-N 3.12Å; L141-C143 VanDerWaalsContact C-N 3.35Å; L141-C143 PolarHBondContact O-N 3.5Å; C143-Q146 PolarHBondContact O-N 3.35Å; C143-S147 WeakPolarHBondContact O-CB 3.32Å; C143-S147 PolarHBondContact O-N 3.11Å; C143-S147 PolarHBondContact O-OG 2.97Å; C143-S170 WeakPolarHBondContact CB-OG 3.29Å; C143-S170 PolarHBondContact O-OG 2.86Å; C143-F202 VanDerWaalsContact SG-CE1 3.57Å; C143-Y205 HydrophobicContact CB-CD1 4.35Å; C143-Y205 HydrophobicContact CB-CD2 4.07Å; C143-Y205 HydrophobicContact CB-CE1 4.05Å; C143-Y205 HydrophobicContact CB-CE2 3.73Å; C143-Y205 HydrophobicContact CB-CG 4.39Å; C143-Y205 PolarHBondContact O-OH 3.27Å; C143-Y205 VanDerWaalsContact SG-CD1 3.6Å |
| 144 | W | 98.3 | Very high | 94.8 | Very high | 100 Ų | 100 | 38.9 Ų | 38.9 | 38% | 0.379 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62 | -47.8 | 175.5 | -79.6 | 107.8 | 0 | 0 | 0 | 112.9 | N140 L141 Y142 Q146 S147 Y148 V167 A171 T174 | N140-W144 VanDerWaalsContact O-CD1 3.3Å; N140-W144 PolarHBondContact O-N 3.25Å; L141-W144 PolarHBondContact O-N 2.72Å; Y142-W144 PolarHBondContact O-N 3.26Å; W144-Q146 PolarHBondContact O-N 3.37Å; W144-S147 WeakPolarHBondContact O-CB 3.43Å; W144-S147 PolarHBondContact O-N 3.28Å; W144-Y148 PolarHBondContact O-N 3.11Å; W144-V167 HydrophobicContact CH2-CG1 4.37Å; W144-V167 HydrophobicContact CZ3-CG1 4.03Å; W144-A171 HydrophobicContact CH2-CB 4.12Å; W144-A171 HydrophobicContact CZ2-CB 4.13Å; W144-T174 PolarHBondContact NE1-OG1 2.9Å |
| 145 | L | 96.8 | Very high | 93.5 | Very high | 24 Ų | 24 | 37.9 Ų | 37.9 | 13% | 0.126 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.1 | -46.2 | 178.4 | -70.2 | 171.4 | 0 | 0 | 0 | 111.5 | L98 F101 L141 Y142 Y148 I149 | L98-L145 HydrophobicContact CD1-CD2 3.94Å; F101-L145 HydrophobicContact CD1-CD1 3.68Å; F101-L145 HydrophobicContact CD1-CD2 4.5Å; F101-L145 HydrophobicContact CE1-CD1 3.77Å; L141-L145 HydrophobicContact CD1-CD1 4.32Å; L141-L145 HydrophobicContact CD1-CG 4.28Å; L141-L145 HydrophobicContact CG-CD1 4.04Å; L141-L145 HydrophobicContact CG-CG 4.45Å; L141-L145 VanDerWaalsContact O-CG 3.3Å; L141-L145 WeakPolarHBondContact O-CG 3.45Å; L141-L145 PolarHBondContact O-N 3.35Å; Y142-L145 PolarHBondContact O-N 2.87Å; L145-Y148 PolarHBondContact O-N 3.05Å; L145-I149 WeakPolarHBondContact O-CB 3.3Å; L145-I149 WeakPolarHBondContact O-CG1 3.46Å; L145-I149 PolarHBondContact O-N 3.46Å |
| 146 | Q | 95.8 | Very high | 91.9 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.009 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.3 | -33.6 | 179.4 | -74.4 | -63 | -34.5 | 0 | 0 | 112.5 | S102 Y142 C143 W144 I149 T150 Y205 F209 | S102-Q146 PolarHBondContact OG-NE2 2.92Å; Y142-Q146 HydrophobicContact CD1-CG 4.16Å; Y142-Q146 HydrophobicContact CD2-CG 3.84Å; Y142-Q146 HydrophobicContact CE1-CG 3.73Å; Y142-Q146 HydrophobicContact CE2-CG 3.41Å; Y142-Q146 VanDerWaalsContact CE2-CG 3.41Å; Y142-Q146 HydrophobicContact CG-CG 4.23Å; Y142-Q146 WeakPolarHBondContact O-CB 3.29Å; Y142-Q146 WeakPolarHBondContact O-CG 3.35Å; Y142-Q146 PolarHBondContact O-N 3.42Å; C143-Q146 PolarHBondContact O-N 3.35Å; W144-Q146 PolarHBondContact O-N 3.37Å; Q146-I149 PolarHBondContact O-N 3.29Å; Q146-T150 WeakPolarHBondContact O-CB 3.46Å; Q146-T150 PolarHBondContact O-N 3.46Å; Q146-T150 PolarHBondContact O-OG1 3.33Å; Q146-Y205 WeakPolarHBondContact CB-OH 3.46Å; Q146-F209 HydrophobicContact CB-CE1 4.45Å; Q146-F209 HydrophobicContact CB-CZ 4.14Å; Q146-F209 HydrophobicContact CG-CZ 4.09Å |
| 147 | S | 95 | Very high | 90.6 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60 | -48.1 | 172.1 | -61 | 0 | 0 | 0 | 0 | 110.7 | C143 W144 T150 W151 R166 S170 Y205 | C143-S147 WeakPolarHBondContact O-CB 3.32Å; C143-S147 PolarHBondContact O-N 3.11Å; C143-S147 PolarHBondContact O-OG 2.97Å; W144-S147 WeakPolarHBondContact O-CB 3.43Å; W144-S147 PolarHBondContact O-N 3.28Å; S147-T150 PolarHBondContact O-N 2.73Å; S147-W151 PolarHBondContact O-N 3.43Å; S147-R166 VanDerWaalsContact OG-C 3.28Å; S147-R166 WeakPolarHBondContact OG-CB 3.35Å; S147-R166 PolarHBondContact OG-O 2.85Å; S147-S170 PolarHBondContact OG-OG 2.98Å; S147-S170 VanDerWaalsContact OG-OG 3.11Å; S147-Y205 PolarHBondContact N-OH 2.83Å; S147-Y205 PolarHBondContact OG-OH 3.26Å |
| 148 | Y | 94.3 | Very high | 89.3 | Confident | 104 Ų | 104 | 50.3 Ų | 50.3 | 41% | 0.408 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.9 | -45.9 | 176 | 174.5 | -92.9 | 0 | 0 | 0 | 112.7 | L98 W144 L145 T150 W151 K152 | L98-Y148 HydrophobicContact CD2-CD1 3.67Å; L98-Y148 HydrophobicContact CD2-CE1 3.67Å; W144-Y148 PolarHBondContact O-N 3.11Å; L145-Y148 PolarHBondContact O-N 3.05Å; Y148-T150 VanDerWaalsContact C-N 3.3Å; Y148-T150 PolarHBondContact O-N 3.02Å; Y148-W151 WeakPolarHBondContact O-CB 3.45Å; Y148-W151 PolarHBondContact O-N 3.46Å; Y148-K152 HydrophobicContact CD1-CG 4.2Å; Y148-K152 HydrophobicContact CE1-CG 3.69Å; Y148-K152 HydrophobicContact CE2-CG 4.06Å; Y148-K152 PolarHBondContact O-N 3.26Å; Y148-K152 WeakPolarHBondContact OH-CE 3.48Å |
| 149 | I | 93.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.1 | -44.4 | 177.3 | -73.7 | 166.7 | 0 | 0 | 0 | 110.3 | V89 L93 L98 L145 Q146 W151 K152 V153 | V89-I149 HydrophobicContact CB-CG2 4.45Å; V89-I149 HydrophobicContact CG1-CG2 3.6Å; V89-I149 HydrophobicContact CG2-CG2 4.21Å; L93-I149 HydrophobicContact CD2-CG1 4.24Å; L98-I149 HydrophobicContact CD2-CD1 4.1Å; L98-I149 HydrophobicContact CD2-CG1 3.59Å; L98-I149 HydrophobicContact CG-CD1 4.23Å; L98-I149 HydrophobicContact CG-CG1 4.27Å; L145-I149 WeakPolarHBondContact O-CB 3.3Å; L145-I149 WeakPolarHBondContact O-CG1 3.46Å; L145-I149 PolarHBondContact O-N 3.46Å; Q146-I149 PolarHBondContact O-N 3.29Å; I149-W151 VanDerWaalsContact C-N 3.31Å; I149-W151 PolarHBondContact O-N 3.07Å; I149-K152 PolarHBondContact O-N 2.98Å; I149-V153 HydrophobicContact CG2-CG2 4.16Å; I149-V153 WeakPolarHBondContact O-CB 3.48Å; I149-V153 VanDerWaalsContact O-CG2 3.28Å; I149-V153 WeakPolarHBondContact O-CG2 3.18Å; I149-V153 PolarHBondContact O-N 2.99Å |
| 150 | T | 91.5 | Very high | 87.2 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 3% | 0.025 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.6 | -43.2 | 178.2 | -52.6 | 0 | 0 | 0 | 0 | 111.2 | R85 Q146 S147 Y148 N154 A163 R166 | R85-T150 PolarHBondContact NH2-OG1 3.34Å; Q146-T150 WeakPolarHBondContact O-CB 3.46Å; Q146-T150 PolarHBondContact O-N 3.46Å; Q146-T150 PolarHBondContact O-OG1 3.33Å; S147-T150 PolarHBondContact O-N 2.73Å; Y148-T150 VanDerWaalsContact C-N 3.3Å; Y148-T150 PolarHBondContact O-N 3.02Å; T150-N154 PolarHBondContact O-N 3.47Å; T150-A163 HydrophobicContact CG2-CB 4.04Å; T150-R166 PolarHBondContact OG1-NH1 2.96Å |
| 151 | W | 90.1 | Very high | 86.6 | Confident | 118 Ų | 118 | 56.3 Ų | 56.3 | 45% | 0.447 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.5 | -47 | 175.4 | -177 | -84 | 0 | 0 | 0 | 112.1 | S147 Y148 I149 K160 A163 I164 | S147-W151 PolarHBondContact O-N 3.43Å; Y148-W151 WeakPolarHBondContact O-CB 3.45Å; Y148-W151 PolarHBondContact O-N 3.46Å; I149-W151 VanDerWaalsContact C-N 3.31Å; I149-W151 PolarHBondContact O-N 3.07Å; W151-K160 HydrophobicContact CZ3-CB 4.5Å; W151-A163 HydrophobicContact CB-CB 3.83Å; W151-A163 HydrophobicContact CE3-CB 3.85Å; W151-I164 HydrophobicContact CE3-CG1 4.46Å; W151-I164 HydrophobicContact CZ3-CD1 4.17Å; W151-I164 HydrophobicContact CZ3-CG1 3.71Å |
| 152 | K | 89.1 | Confident | 86 | Confident | 124 Ų | 124 | 55.7 Ų | 55.7 | 54% | 0.539 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -68.7 | -43.3 | -176.7 | -77.9 | -62.9 | -171.1 | -179 | 0 | 113.3 | Y148 I149 | Y148-K152 HydrophobicContact CD1-CG 4.2Å; Y148-K152 HydrophobicContact CE1-CG 3.69Å; Y148-K152 HydrophobicContact CE2-CG 4.06Å; Y148-K152 PolarHBondContact O-N 3.26Å; Y148-K152 WeakPolarHBondContact OH-CE 3.48Å; I149-K152 PolarHBondContact O-N 2.98Å |
| 153 | V | 86.6 | Confident | 85.6 | Confident | 27 Ų | 27 | 55.6 Ų | 55.6 | 16% | 0.164 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -72.9 | -32.6 | -178.9 | 178.4 | 0 | 0 | 0 | 0 | 111.2 | V89 K92 L93 I149 L155 | V89-V153 HydrophobicContact CG1-CG2 3.85Å; K92-V153 HydrophobicContact CB-CG1 3.64Å; K92-V153 HydrophobicContact CG-CG1 4.49Å; L93-V153 HydrophobicContact CB-CG2 4.31Å; L93-V153 HydrophobicContact CD1-CG2 3.94Å; I149-V153 HydrophobicContact CG2-CG2 4.16Å; I149-V153 WeakPolarHBondContact O-CB 3.48Å; I149-V153 VanDerWaalsContact O-CG2 3.28Å; I149-V153 WeakPolarHBondContact O-CG2 3.18Å; I149-V153 PolarHBondContact O-N 2.99Å; V153-L155 VanDerWaalsContact C-N 3.33Å; V153-L155 HydrophobicContact CG1-CD2 3.51Å; V153-L155 HydrophobicContact CG1-CG 3.69Å; V153-L155 PolarHBondContact O-N 3.13Å |
| 154 | N | 81.3 | Confident | 85.3 | Confident | 32 Ų | 32 | 59.9 Ų | 59.9 | 17% | 0.171 | 28% | 0.284 | C | S | . | . | trans | 44 | 53.8 | 179.2 | -172.1 | 33.2 | 0 | 0 | 0 | 113.3 | T150 N156 N157 G159 K160 | T150-N154 PolarHBondContact O-N 3.47Å; N154-N156 PolarHBondContact O-N 3.23Å; N154-N157 PolarHBondContact ND2-OD1 3.46Å; N154-N157 PolarHBondContact O-N 3.43Å; N154-G159 PolarHBondContact OD1-N 2.73Å; N154-K160 PolarHBondContact OD1-N 3.26Å | ||
| 155 | L | 70.9 | Confident | 85 | Confident | 31 Ų | 31 | 58.1 Ų | 58.1 | 16% | 0.162 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -51.3 | 125.9 | -178.1 | -68 | 172.7 | 0 | 0 | 0 | 110.8 | Q88 K92 V153 N157 Q158 G159 | Q88-L155 HydrophobicContact CG-CD1 4.41Å; K92-L155 HydrophobicContact CG-CD2 4.44Å; V153-L155 VanDerWaalsContact C-N 3.33Å; V153-L155 HydrophobicContact CG1-CD2 3.51Å; V153-L155 HydrophobicContact CG1-CG 3.69Å; V153-L155 PolarHBondContact O-N 3.13Å; L155-N157 PolarHBondContact O-N 2.87Å; L155-N157 VanDerWaalsContact O-N 3.1Å; L155-Q158 PolarHBondContact O-N 3.32Å; L155-G159 PolarHBondContact O-N 2.99Å |
| 156 | N | 64.4 | Low | 84.9 | Confident | 109 Ų | 109 | 57 Ų | 57 | 58% | 0.583 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | 52.2 | 28.9 | 177.5 | -68.1 | 0.7 | 0 | 0 | 0 | 115.5 | N154 Q158 H215 | N154-N156 PolarHBondContact O-N 3.23Å; N156-Q158 PolarHBondContact O-N 2.95Å; N156-H215 PolarHBondContact ND2-ND1 3.25Å |
| 157 | N | 69.4 | Low | 85 | Confident | 127 Ų | 127 | 59.5 Ų | 59.5 | 68% | 0.679 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | 60.2 | 6 | 179 | -140.2 | 35.5 | 0 | 0 | 0 | 115.9 | N154 L155 | N154-N157 PolarHBondContact ND2-OD1 3.46Å; N154-N157 PolarHBondContact O-N 3.43Å; L155-N157 PolarHBondContact O-N 2.87Å; L155-N157 VanDerWaalsContact O-N 3.1Å |
| 158 | Q | 71 | Confident | 85.1 | Confident | 116 Ų | 116 | 63.9 Ų | 63.9 | 54% | 0.542 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | -9.5 | 174.1 | -65 | -70.2 | -18.5 | 0 | 0 | 111.5 | L155 N156 K160 V161 F162 | L155-Q158 PolarHBondContact O-N 3.32Å; N156-Q158 PolarHBondContact O-N 2.95Å; Q158-K160 PolarHBondContact O-N 2.8Å; Q158-V161 PolarHBondContact O-N 3.29Å; Q158-F162 HydrophobicContact CB-CE2 4.08Å; Q158-F162 VanDerWaalsContact O-CD2 3.22Å; Q158-F162 WeakPolarHBondContact O-CD2 3.39Å |
| 159 | G | 71.6 | Confident | 85.2 | Confident | 2 Ų | 2 | 59.9 Ų | 59.9 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.4 | -26.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | N154 L155 F162 A163 | N154-G159 PolarHBondContact OD1-N 2.73Å; L155-G159 PolarHBondContact O-N 2.99Å; G159-F162 PolarHBondContact O-N 3.25Å; G159-A163 VanDerWaalsContact O-CB 3.23Å; G159-A163 WeakPolarHBondContact O-CB 3.27Å; G159-A163 PolarHBondContact O-N 3.11Å |
| 160 | K | 79.9 | Confident | 85.4 | Confident | 102 Ų | 102 | 59.9 Ų | 59.9 | 44% | 0.443 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 179.3 | -71.9 | 178.3 | -176.8 | 176.8 | 0 | 113.3 | W151 N154 Q158 F162 A163 I164 | W151-K160 HydrophobicContact CZ3-CB 4.5Å; N154-K160 PolarHBondContact OD1-N 3.26Å; Q158-K160 PolarHBondContact O-N 2.8Å; K160-F162 PolarHBondContact O-N 3.04Å; K160-A163 PolarHBondContact O-N 3.35Å; K160-I164 WeakPolarHBondContact O-CG1 3.25Å; K160-I164 PolarHBondContact O-N 3.25Å |
| 161 | V | 85.9 | Confident | 85.7 | Confident | 94 Ų | 94 | 61.7 Ų | 61.7 | 57% | 0.57 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -63.8 | -44.6 | 179.8 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | Q158 A163 I164 C165 | Q158-V161 PolarHBondContact O-N 3.29Å; V161-A163 VanDerWaalsContact C-N 3.35Å; V161-A163 PolarHBondContact O-N 2.98Å; V161-I164 PolarHBondContact O-N 3.1Å; V161-C165 PolarHBondContact O-N 3.1Å |
| 162 | F | 85.9 | Confident | 86 | Confident | 50 Ų | 50 | 57.5 Ų | 57.5 | 22% | 0.219 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.6 | -35.4 | 177.4 | -57.4 | -56.4 | 0 | 0 | 0 | 112.5 | Q158 G159 K160 C165 R166 I211 | Q158-F162 HydrophobicContact CB-CE2 4.08Å; Q158-F162 VanDerWaalsContact O-CD2 3.22Å; Q158-F162 WeakPolarHBondContact O-CD2 3.39Å; G159-F162 PolarHBondContact O-N 3.25Å; K160-F162 PolarHBondContact O-N 3.04Å; F162-C165 PolarHBondContact O-N 2.98Å; F162-R166 WeakPolarHBondContact O-CB 3.36Å; F162-R166 WeakPolarHBondContact O-CG 3.18Å; F162-R166 PolarHBondContact O-N 3.48Å; F162-I211 HydrophobicContact CD1-CD1 3.83Å; F162-I211 HydrophobicContact CD1-CG2 3.93Å; F162-I211 HydrophobicContact CD2-CG2 3.95Å; F162-I211 HydrophobicContact CE1-CD1 3.78Å; F162-I211 HydrophobicContact CE1-CG2 3.61Å; F162-I211 HydrophobicContact CE2-CG2 3.62Å; F162-I211 HydrophobicContact CG-CG2 4.11Å; F162-I211 HydrophobicContact CZ-CG2 3.45Å; F162-I211 VanDerWaalsContact CZ-CG2 3.45Å |
| 163 | A | 88.7 | Confident | 86.4 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T150 W151 G159 K160 V161 R166 V167 | T150-A163 HydrophobicContact CG2-CB 4.04Å; W151-A163 HydrophobicContact CB-CB 3.83Å; W151-A163 HydrophobicContact CE3-CB 3.85Å; G159-A163 VanDerWaalsContact O-CB 3.23Å; G159-A163 WeakPolarHBondContact O-CB 3.27Å; G159-A163 PolarHBondContact O-N 3.11Å; K160-A163 PolarHBondContact O-N 3.35Å; V161-A163 VanDerWaalsContact C-N 3.35Å; V161-A163 PolarHBondContact O-N 2.98Å; A163-R166 PolarHBondContact O-N 3.15Å; A163-V167 WeakPolarHBondContact O-CG2 3.11Å; A163-V167 PolarHBondContact O-N 2.77Å |
| 164 | I | 90.9 | Very high | 86.9 | Confident | 92 Ų | 92 | 51.9 Ų | 51.9 | 47% | 0.472 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61 | -48.5 | 174.6 | -65.7 | 166.9 | 0 | 0 | 0 | 110.3 | W151 K160 V161 R166 V167 V168 | W151-I164 HydrophobicContact CE3-CG1 4.46Å; W151-I164 HydrophobicContact CZ3-CD1 4.17Å; W151-I164 HydrophobicContact CZ3-CG1 3.71Å; K160-I164 WeakPolarHBondContact O-CG1 3.25Å; K160-I164 PolarHBondContact O-N 3.25Å; V161-I164 PolarHBondContact O-N 3.1Å; I164-R166 VanDerWaalsContact C-N 3.28Å; I164-R166 PolarHBondContact O-N 3.3Å; I164-V167 PolarHBondContact O-N 3.35Å; I164-V167 VanDerWaalsContact O-N 3.14Å; I164-V168 HydrophobicContact CG2-CG2 4.45Å; I164-V168 WeakPolarHBondContact O-CG2 3.4Å; I164-V168 PolarHBondContact O-N 3.36Å |
| 165 | C | 93.3 | Very high | 87.6 | Confident | 63 Ų | 63 | 56.3 Ų | 56.3 | 43% | 0.426 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -55.5 | -44.2 | 176.7 | -179.9 | 0 | 0 | 0 | 0 | 111.6 | V161 F162 V168 L169 | V161-C165 PolarHBondContact O-N 3.1Å; F162-C165 PolarHBondContact O-N 2.98Å; C165-V168 PolarHBondContact O-N 2.97Å; C165-L169 WeakPolarHBondContact O-CG 3.4Å; C165-L169 PolarHBondContact O-N 3.06Å |
| 166 | R | 95.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.5 | -36.7 | 176.7 | -75.5 | -178.3 | 179 | 160.8 | 8.6 | 113.6 | S147 T150 F162 A163 I164 L169 S170 Y205 T208 F209 D212 | S147-R166 VanDerWaalsContact OG-C 3.28Å; S147-R166 WeakPolarHBondContact OG-CB 3.35Å; S147-R166 PolarHBondContact OG-O 2.85Å; T150-R166 PolarHBondContact OG1-NH1 2.96Å; F162-R166 WeakPolarHBondContact O-CB 3.36Å; F162-R166 WeakPolarHBondContact O-CG 3.18Å; F162-R166 PolarHBondContact O-N 3.48Å; A163-R166 PolarHBondContact O-N 3.15Å; I164-R166 VanDerWaalsContact C-N 3.28Å; I164-R166 PolarHBondContact O-N 3.3Å; R166-L169 PolarHBondContact O-N 3.21Å; R166-S170 WeakPolarHBondContact O-CB 3.43Å; R166-S170 PolarHBondContact O-N 3.38Å; R166-S170 PolarHBondContact O-OG 3.36Å; R166-Y205 HydrophobicContact CB-CD2 4.46Å; R166-Y205 HydrophobicContact CB-CE2 3.64Å; R166-Y205 HydrophobicContact CG-CD2 4.39Å; R166-Y205 HydrophobicContact CG-CE2 3.79Å; R166-T208 PolarHBondContact NE-OG1 2.87Å; R166-T208 VanDerWaalsContact NH2-C 3.33Å; R166-T208 PolarHBondContact NH2-O 3.44Å; R166-T208 PolarHBondContact NH2-OG1 3.27Å; R166-F209 VanDerWaalsContact NH2-CD1 3.29Å; R166-D212 IonicContact CZ-OD2 3.86Å; R166-D212 IonicContact NH1-OD2 2.67Å; R166-D212 PolarHBondContact NH1-OD2 3.45Å; R166-D212 VanDerWaalsContact NH2-CG 3.34Å; R166-D212 IonicContact NH2-OD1 3.15Å; R166-D212 IonicContact NH2-OD2 2.59Å; R166-D212 PolarHBondContact NH2-OD2 3.48Å |
| 167 | V | 96.3 | Very high | 90 | Very high | 55 Ų | 55 | 52.2 Ų | 52.2 | 33% | 0.333 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.5 | -45.8 | 172.5 | 168.1 | 0 | 0 | 0 | 0 | 110.2 | W144 A163 I164 L169 S170 A171 | W144-V167 HydrophobicContact CH2-CG1 4.37Å; W144-V167 HydrophobicContact CZ3-CG1 4.03Å; A163-V167 WeakPolarHBondContact O-CG2 3.11Å; A163-V167 PolarHBondContact O-N 2.77Å; I164-V167 PolarHBondContact O-N 3.35Å; I164-V167 VanDerWaalsContact O-N 3.14Å; V167-L169 PolarHBondContact O-N 3.43Å; V167-S170 PolarHBondContact O-N 3.22Å; V167-A171 WeakPolarHBondContact O-CB 3.26Å; V167-A171 PolarHBondContact O-N 3.35Å |
| 168 | V | 96.8 | Very high | 91 | Very high | 92 Ų | 92 | 50.7 Ų | 50.7 | 56% | 0.558 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -60.8 | -45.6 | 177.2 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | I164 C165 A171 A172 | I164-V168 HydrophobicContact CG2-CG2 4.45Å; I164-V168 WeakPolarHBondContact O-CG2 3.4Å; I164-V168 PolarHBondContact O-N 3.36Å; C165-V168 PolarHBondContact O-N 2.97Å; V168-A171 PolarHBondContact O-N 2.93Å; V168-A172 WeakPolarHBondContact O-CB 3.33Å; V168-A172 PolarHBondContact O-N 3.23Å |
| 169 | L | 96.9 | Very high | 91.8 | Very high | 20 Ų | 20 | 47.5 Ų | 47.5 | 11% | 0.105 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 175 | -73.8 | 169.1 | 0 | 0 | 0 | 112 | C165 R166 V167 A171 A172 I173 L201 I204 Y205 T208 | C165-L169 WeakPolarHBondContact O-CG 3.4Å; C165-L169 PolarHBondContact O-N 3.06Å; R166-L169 PolarHBondContact O-N 3.21Å; V167-L169 PolarHBondContact O-N 3.43Å; L169-A171 VanDerWaalsContact C-N 3.34Å; L169-A171 PolarHBondContact O-N 3.11Å; L169-A172 PolarHBondContact O-N 2.89Å; L169-I173 VanDerWaalsContact O-CG1 3.26Å; L169-I173 WeakPolarHBondContact O-CG1 3.38Å; L169-I173 PolarHBondContact O-N 3.29Å; L169-L201 HydrophobicContact CD2-CD2 3.87Å; L169-I204 HydrophobicContact CD1-CG2 4.06Å; L169-I204 HydrophobicContact CD2-CG2 3.95Å; L169-Y205 HydrophobicContact CB-CD2 3.88Å; L169-Y205 HydrophobicContact CD1-CD2 4.36Å; L169-T208 HydrophobicContact CD1-CG2 3.95Å |
| 170 | S | 97.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 178.2 | -53.9 | 0 | 0 | 0 | 0 | 111.8 | C143 S147 R166 V167 T174 Y205 | C143-S170 WeakPolarHBondContact CB-OG 3.29Å; C143-S170 PolarHBondContact O-OG 2.86Å; S147-S170 PolarHBondContact OG-OG 2.98Å; S147-S170 VanDerWaalsContact OG-OG 3.11Å; R166-S170 WeakPolarHBondContact O-CB 3.43Å; R166-S170 PolarHBondContact O-N 3.38Å; R166-S170 PolarHBondContact O-OG 3.36Å; V167-S170 PolarHBondContact O-N 3.22Å; S170-T174 WeakPolarHBondContact O-CB 3.4Å; S170-T174 PolarHBondContact O-N 3.31Å; S170-T174 PolarHBondContact O-OG1 3.24Å; S170-Y205 WeakPolarHBondContact OG-CE2 3.45Å |
| 171 | A | 97.6 | Very high | 92.5 | Very high | 41 Ų | 41 | 51.9 Ų | 51.9 | 34% | 0.339 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.9 | -43.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | W144 V167 V168 L169 T174 F175 | W144-A171 HydrophobicContact CH2-CB 4.12Å; W144-A171 HydrophobicContact CZ2-CB 4.13Å; V167-A171 WeakPolarHBondContact O-CB 3.26Å; V167-A171 PolarHBondContact O-N 3.35Å; V168-A171 PolarHBondContact O-N 2.93Å; L169-A171 VanDerWaalsContact C-N 3.34Å; L169-A171 PolarHBondContact O-N 3.11Å; A171-T174 PolarHBondContact O-N 3.44Å; A171-F175 WeakPolarHBondContact O-CB 3.34Å; A171-F175 PolarHBondContact O-N 2.89Å |
| 172 | A | 97.4 | Very high | 92.4 | Very high | 31 Ų | 31 | 51.8 Ų | 51.8 | 26% | 0.256 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.2 | -44 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | V168 L169 F175 C176 L201 | V168-A172 WeakPolarHBondContact O-CB 3.33Å; V168-A172 PolarHBondContact O-N 3.23Å; L169-A172 PolarHBondContact O-N 2.89Å; A172-F175 PolarHBondContact O-N 3.46Å; A172-C176 PolarHBondContact O-N 3.38Å; A172-C176 PolarHBondContact O-SG 2.92Å; A172-C176 VanDerWaalsContact O-SG 3.35Å; A172-L201 HydrophobicContact CB-CD1 3.94Å; A172-L201 HydrophobicContact CB-CD2 4.39Å |
| 173 | I | 97.4 | Very high | 92 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.6 | -50.2 | 173.9 | -69.1 | 164.2 | 0 | 0 | 0 | 110.1 | N140 L169 F175 C176 I177 L201 F202 | N140-I173 HydrophobicContact CB-CG2 4.27Å; N140-I173 WeakPolarHBondContact OD1-CG2 3.4Å; L169-I173 VanDerWaalsContact O-CG1 3.26Å; L169-I173 WeakPolarHBondContact O-CG1 3.38Å; L169-I173 PolarHBondContact O-N 3.29Å; I173-F175 VanDerWaalsContact C-N 3.32Å; I173-F175 PolarHBondContact O-N 3.45Å; I173-C176 PolarHBondContact O-N 3.14Å; I173-I177 HydrophobicContact CG2-CD1 3.77Å; I173-I177 HydrophobicContact CG2-CG1 4.42Å; I173-I177 WeakPolarHBondContact O-CG1 3.37Å; I173-I177 PolarHBondContact O-N 3.14Å; I173-L201 HydrophobicContact CD1-CB 4.2Å; I173-L201 HydrophobicContact CG1-CB 3.53Å; I173-L201 HydrophobicContact CG1-CD1 4.32Å; I173-F202 HydrophobicContact CD1-CD1 3.95Å; I173-F202 HydrophobicContact CD1-CE1 4.17Å; I173-F202 HydrophobicContact CD1-CG 4.14Å; I173-F202 HydrophobicContact CG2-CD2 4.14Å; I173-F202 HydrophobicContact CG2-CE1 4.18Å; I173-F202 HydrophobicContact CG2-CE2 3.52Å; I173-F202 HydrophobicContact CG2-CZ 3.55Å |
| 174 | T | 97 | Very high | 91 | Very high | 33 Ų | 33 | 56 Ų | 56 | 20% | 0.202 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.2 | -46.2 | 179.3 | -57.5 | 0 | 0 | 0 | 0 | 111.1 | N140 W144 S170 A171 I177 I178 | N140-T174 PolarHBondContact ND2-OG1 3.3Å; N140-T174 PolarHBondContact OD1-OG1 2.94Å; W144-T174 PolarHBondContact NE1-OG1 2.9Å; S170-T174 WeakPolarHBondContact O-CB 3.4Å; S170-T174 PolarHBondContact O-N 3.31Å; S170-T174 PolarHBondContact O-OG1 3.24Å; A171-T174 PolarHBondContact O-N 3.44Å; T174-I177 PolarHBondContact O-N 3.36Å; T174-I178 HydrophobicContact CG2-CD1 3.87Å; T174-I178 HydrophobicContact CG2-CG1 4.48Å; T174-I178 WeakPolarHBondContact O-CG1 3.14Å; T174-I178 PolarHBondContact O-N 2.9Å |
| 175 | F | 94.8 | Very high | 89.6 | Confident | 124 Ų | 124 | 58 Ų | 58 | 54% | 0.544 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.1 | -47.5 | 177.4 | 178.4 | -109.1 | 0 | 0 | 0 | 111.6 | A171 A172 I173 I177 I178 L179 | A171-F175 WeakPolarHBondContact O-CB 3.34Å; A171-F175 PolarHBondContact O-N 2.89Å; A172-F175 PolarHBondContact O-N 3.46Å; I173-F175 VanDerWaalsContact C-N 3.32Å; I173-F175 PolarHBondContact O-N 3.45Å; F175-I177 VanDerWaalsContact C-N 3.33Å; F175-I177 PolarHBondContact O-N 3.25Å; F175-I178 PolarHBondContact O-N 3.24Å; F175-L179 HydrophobicContact CD1-CD1 3.8Å; F175-L179 HydrophobicContact CD1-CG 4.28Å; F175-L179 HydrophobicContact CD2-CG 4.42Å; F175-L179 HydrophobicContact CE1-CD1 3.25Å; F175-L179 HydrophobicContact CE1-CG 3.94Å; F175-L179 HydrophobicContact CE2-CD1 4.26Å; F175-L179 HydrophobicContact CE2-CD2 4.2Å; F175-L179 HydrophobicContact CE2-CG 4.07Å; F175-L179 HydrophobicContact CZ-CD1 3.51Å; F175-L179 HydrophobicContact CZ-CD2 4.02Å; F175-L179 HydrophobicContact CZ-CG 3.83Å; F175-L179 WeakPolarHBondContact O-CB 3.49Å; F175-L179 WeakPolarHBondContact O-CG 3.35Å; F175-L179 PolarHBondContact O-N 3.4Å |
| 176 | C | 93 | Very high | 88.1 | Confident | 17 Ų | 17 | 59.8 Ų | 59.8 | 12% | 0.115 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.1 | -32.8 | 177.8 | -66.3 | 0 | 0 | 0 | 0 | 112.9 | A172 I173 Q180 V198 | A172-C176 PolarHBondContact O-N 3.38Å; A172-C176 PolarHBondContact O-SG 2.92Å; A172-C176 VanDerWaalsContact O-SG 3.35Å; I173-C176 PolarHBondContact O-N 3.14Å; C176-Q180 WeakPolarHBondContact O-CG 3.38Å; C176-Q180 PolarHBondContact O-N 2.88Å; C176-Q180 PolarHBondContact O-NE2 2.97Å; C176-V198 HydrophobicContact CB-CG2 3.27Å |
| 177 | I | 92.3 | Very high | 86.4 | Confident | 38 Ų | 38 | 62.5 Ų | 62.5 | 20% | 0.195 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.2 | -45.9 | 172.4 | -69.6 | 170.6 | 0 | 0 | 0 | 110.6 | F136 N140 I173 T174 F175 Q180 R181 V198 | F136-I177 HydrophobicContact CB-CD1 4.25Å; N140-I177 HydrophobicContact CB-CD1 4.07Å; I173-I177 HydrophobicContact CG2-CD1 3.77Å; I173-I177 HydrophobicContact CG2-CG1 4.42Å; I173-I177 WeakPolarHBondContact O-CG1 3.37Å; I173-I177 PolarHBondContact O-N 3.14Å; T174-I177 PolarHBondContact O-N 3.36Å; F175-I177 VanDerWaalsContact C-N 3.33Å; F175-I177 PolarHBondContact O-N 3.25Å; I177-Q180 WeakPolarHBondContact O-CB 3.17Å; I177-Q180 PolarHBondContact O-N 3.37Å; I177-R181 PolarHBondContact O-N 3.15Å; I177-R181 VanDerWaalsContact O-N 3.16Å; I177-V198 HydrophobicContact CG1-CG1 4.15Å; I177-V198 HydrophobicContact CG1-CG2 3.93Å |
| 178 | I | 91.1 | Very high | 85.1 | Confident | 94 Ų | 94 | 63.9 Ų | 63.9 | 48% | 0.482 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.5 | -46.9 | 177.4 | -68.8 | 168.1 | 0 | 0 | 0 | 110.1 | T174 F175 Q180 R181 V182 | T174-I178 HydrophobicContact CG2-CD1 3.87Å; T174-I178 HydrophobicContact CG2-CG1 4.48Å; T174-I178 WeakPolarHBondContact O-CG1 3.14Å; T174-I178 PolarHBondContact O-N 2.9Å; F175-I178 PolarHBondContact O-N 3.24Å; I178-Q180 VanDerWaalsContact C-N 3.27Å; I178-Q180 PolarHBondContact O-N 2.64Å; I178-R181 PolarHBondContact O-N 3.47Å; I178-V182 HydrophobicContact CG2-CG2 4.15Å; I178-V182 WeakPolarHBondContact O-CG2 3.32Å; I178-V182 PolarHBondContact O-N 2.83Å |
| 179 | L | 88.3 | Confident | 84.3 | Confident | 49 Ų | 49 | 60.1 Ų | 60.1 | 26% | 0.257 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56 | -43.1 | 175.2 | -77.5 | -174.9 | 0 | 0 | 0 | 111.4 | F175 R181 V182 L183 | F175-L179 HydrophobicContact CD1-CD1 3.8Å; F175-L179 HydrophobicContact CD1-CG 4.28Å; F175-L179 HydrophobicContact CD2-CG 4.42Å; F175-L179 HydrophobicContact CE1-CD1 3.25Å; F175-L179 HydrophobicContact CE1-CG 3.94Å; F175-L179 HydrophobicContact CE2-CD1 4.26Å; F175-L179 HydrophobicContact CE2-CD2 4.2Å; F175-L179 HydrophobicContact CE2-CG 4.07Å; F175-L179 HydrophobicContact CZ-CD1 3.51Å; F175-L179 HydrophobicContact CZ-CD2 4.02Å; F175-L179 HydrophobicContact CZ-CG 3.83Å; F175-L179 WeakPolarHBondContact O-CB 3.49Å; F175-L179 WeakPolarHBondContact O-CG 3.35Å; F175-L179 PolarHBondContact O-N 3.4Å; L179-R181 VanDerWaalsContact C-N 3.28Å; L179-R181 PolarHBondContact O-N 2.85Å; L179-V182 PolarHBondContact O-N 2.76Å; L179-L183 HydrophobicContact CB-CD1 4.17Å; L179-L183 WeakPolarHBondContact O-CB 3.48Å; L179-L183 WeakPolarHBondContact O-CG 3.36Å; L179-L183 PolarHBondContact O-N 3.19Å |
| 180 | Q | 84.5 | Confident | 83.6 | Confident | 32 Ų | 32 | 64.1 Ų | 64.1 | 15% | 0.15 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.7 | -38.3 | 176 | -79.3 | 174.5 | 55.6 | 0 | 0 | 112.8 | C176 I177 I178 V184 T191 C194 Q195 | C176-Q180 WeakPolarHBondContact O-CG 3.38Å; C176-Q180 PolarHBondContact O-N 2.88Å; C176-Q180 PolarHBondContact O-NE2 2.97Å; I177-Q180 WeakPolarHBondContact O-CB 3.17Å; I177-Q180 PolarHBondContact O-N 3.37Å; I178-Q180 VanDerWaalsContact C-N 3.27Å; I178-Q180 PolarHBondContact O-N 2.64Å; Q180-V184 WeakPolarHBondContact O-CG2 3.47Å; Q180-V184 PolarHBondContact O-N 3.27Å; Q180-T191 HydrophobicContact CB-CG2 4.43Å; Q180-T191 HydrophobicContact CG-CG2 4.28Å; Q180-C194 HydrophobicContact CG-CB 3.6Å; Q180-C194 VanDerWaalsContact NE2-C 3.3Å; Q180-C194 PolarHBondContact NE2-O 2.83Å; Q180-C194 VanDerWaalsContact NE2-O 3.09Å; Q180-Q195 VanDerWaalsContact NE2-CA 3.3Å |
| 181 | R | 82.3 | Confident | 83 | Confident | 165 Ų | 165 | 64.6 Ų | 64.6 | 62% | 0.623 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -71.6 | -41.8 | 178.3 | -65.8 | -58.9 | -163 | -170.9 | 3.7 | 112.5 | I177 I178 L179 V184 | I177-R181 PolarHBondContact O-N 3.15Å; I177-R181 VanDerWaalsContact O-N 3.16Å; I178-R181 PolarHBondContact O-N 3.47Å; L179-R181 VanDerWaalsContact C-N 3.28Å; L179-R181 PolarHBondContact O-N 2.85Å; R181-V184 WeakPolarHBondContact O-CG2 3.41Å |
| 182 | V | 82.3 | Confident | 82.5 | Confident | 91 Ų | 91 | 62.7 Ų | 62.7 | 55% | 0.552 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -72.1 | -39.9 | -180 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | I178 L179 V184 | I178-V182 HydrophobicContact CG2-CG2 4.15Å; I178-V182 WeakPolarHBondContact O-CG2 3.32Å; I178-V182 PolarHBondContact O-N 2.83Å; L179-V182 PolarHBondContact O-N 2.76Å; V182-V184 PolarHBondContact O-N 3.28Å |
| 183 | L | 77.5 | Confident | 82 | Confident | 33 Ų | 33 | 66.9 Ų | 66.9 | 17% | 0.173 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -80.3 | 4.5 | -177.8 | -62.7 | 172.9 | 0 | 0 | 0 | 114 | L179 V185 I186 H190 T191 | L179-L183 HydrophobicContact CB-CD1 4.17Å; L179-L183 WeakPolarHBondContact O-CB 3.48Å; L179-L183 WeakPolarHBondContact O-CG 3.36Å; L179-L183 PolarHBondContact O-N 3.19Å; L183-V185 PolarHBondContact O-N 2.94Å; L183-V185 VanDerWaalsContact O-N 3.12Å; L183-I186 HydrophobicContact CD2-CB 4.29Å; L183-I186 HydrophobicContact CD2-CD1 3.54Å; L183-I186 HydrophobicContact CD2-CG1 3.96Å; L183-I186 PolarHBondContact O-N 3.19Å; L183-I186 VanDerWaalsContact O-N 3.16Å; L183-H190 HydrophobicContact CD1-CB 4.28Å; L183-T191 WeakPolarHBondContact CB-OG1 3.31Å; L183-T191 PolarHBondContact O-OG1 3.33Å |
| 184 | V | 67.4 | Low | 81.7 | Confident | 105 Ų | 105 | 67.8 Ų | 67.8 | 64% | 0.636 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -56.4 | -25.7 | 170.3 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | Q180 R181 V182 | Q180-V184 WeakPolarHBondContact O-CG2 3.47Å; Q180-V184 PolarHBondContact O-N 3.27Å; R181-V184 WeakPolarHBondContact O-CG2 3.41Å; V182-V184 PolarHBondContact O-N 3.28Å |
| 185 | V | 61.8 | Low | 81.4 | Confident | 136 Ų | 136 | 67 Ų | 67 | 82% | 0.824 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -91.5 | -12.2 | -177.3 | -170.7 | 0 | 0 | 0 | 0 | 113.4 | L183 | L183-V185 PolarHBondContact O-N 2.94Å; L183-V185 VanDerWaalsContact O-N 3.12Å |
| 186 | I | 63.4 | Low | 81.4 | Confident | 100 Ų | 100 | 61.9 Ų | 61.9 | 51% | 0.513 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -117.8 | -174.9 | -174 | -19.9 | -176.4 | 0 | 0 | 0 | 110.6 | L183 H188 | L183-I186 HydrophobicContact CD2-CB 4.29Å; L183-I186 HydrophobicContact CD2-CD1 3.54Å; L183-I186 HydrophobicContact CD2-CG1 3.96Å; L183-I186 PolarHBondContact O-N 3.19Å; L183-I186 VanDerWaalsContact O-N 3.16Å; I186-H188 PolarHBondContact O-N 2.88Å |
| 187 | P | 59 | Low | 81.5 | Confident | 57 Ų | 57 | 62.8 Ų | 62.8 | 37% | 0.37 | 32% | 0.323 | S | S | . | . | trans | -66.5 | 132 | -163.2 | 27.7 | -35.5 | 0 | 0 | 0 | 113.5 | M189 H190 | P187-M189 PolarHBondContact O-N 2.81Å; P187-H190 PolarHBondContact O-N 2.68Å | ||
| 188 | H | 69.3 | Low | 81.7 | Confident | 83 Ų | 83 | 61 Ų | 61 | 38% | 0.384 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -47 | -32.7 | -174.4 | -83 | -74.2 | 0 | 0 | 0 | 115.8 | Y42 Y53 I186 H190 T191 V192 | Y42-H188 HydrophobicContact CD2-CB 4.29Å; Y42-H188 HydrophobicContact CE2-CB 4.21Å; Y42-H188 AromaticContact CE2-CD2 3.92Å; Y53-H188 PolarHBondContact OH-ND1 2.91Å; Y53-H188 PolarHBondContact OH-O 3.12Å; I186-H188 PolarHBondContact O-N 2.88Å; H188-H190 PolarHBondContact O-N 2.95Å; H188-T191 PolarHBondContact O-N 3.4Å; H188-V192 VanDerWaalsContact O-CG2 3.3Å; H188-V192 WeakPolarHBondContact O-CG2 3.24Å; H188-V192 PolarHBondContact O-N 2.93Å |
| 189 | M | 79.3 | Confident | 82 | Confident | 13 Ų | 13 | 57.4 Ų | 57.4 | 6% | 0.064 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70.3 | -32.4 | -171.2 | -66.9 | -60.6 | 118.3 | 0 | 0 | 113.9 | Y42 P51 P187 V192 R193 | Y42-M189 HydrophobicContact CD2-CE 4.45Å; P51-M189 HydrophobicContact CB-CE 3.7Å; P187-M189 PolarHBondContact O-N 2.81Å; M189-V192 HydrophobicContact CE-CG2 4.44Å; M189-R193 WeakPolarHBondContact O-CG 3.36Å; M189-R193 PolarHBondContact O-N 3.15Å; M189-R193 VanDerWaalsContact O-N 3.14Å |
| 190 | H | 81.6 | Confident | 82.4 | Confident | 105 Ų | 105 | 57.3 Ų | 57.3 | 49% | 0.486 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -69.3 | -39.8 | 174.1 | -71.4 | -76.6 | 0 | 0 | 0 | 111.1 | L183 P187 H188 V192 R193 C194 | L183-H190 HydrophobicContact CD1-CB 4.28Å; P187-H190 PolarHBondContact O-N 2.68Å; H188-H190 PolarHBondContact O-N 2.95Å; H190-V192 VanDerWaalsContact C-N 3.34Å; H190-V192 PolarHBondContact O-N 3.49Å; H190-R193 PolarHBondContact O-N 3.05Å; H190-C194 PolarHBondContact O-N 2.86Å; H190-C194 PolarHBondContact O-SG 3.27Å |
| 191 | T | 84.6 | Confident | 83.1 | Confident | 9 Ų | 9 | 57.3 Ų | 57.3 | 6% | 0.055 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.9 | -39.6 | 176.6 | -48.1 | 0 | 0 | 0 | 0 | 111.3 | Y53 Q180 L183 H188 C194 Q195 | Y53-T191 HydrophobicContact CE1-CG2 3.96Å; Y53-T191 WeakPolarHBondContact OH-CB 3.47Å; Q180-T191 HydrophobicContact CB-CG2 4.43Å; Q180-T191 HydrophobicContact CG-CG2 4.28Å; L183-T191 WeakPolarHBondContact CB-OG1 3.31Å; L183-T191 PolarHBondContact O-OG1 3.33Å; H188-T191 PolarHBondContact O-N 3.4Å; T191-C194 PolarHBondContact O-N 3.37Å; T191-Q195 PolarHBondContact O-N 3.34Å |
| 192 | V | 87.3 | Confident | 83.8 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.2 | -51.9 | 172.1 | 172.7 | 0 | 0 | 0 | 0 | 111 | L38 P51 P52 Y53 H188 M189 H190 C194 Q195 W196 | L38-V192 HydrophobicContact CD2-CG1 3.96Å; P51-V192 HydrophobicContact CB-CG2 3.98Å; P52-V192 HydrophobicContact CG-CG1 4Å; P52-V192 VanDerWaalsContact O-CG1 3.29Å; P52-V192 WeakPolarHBondContact O-CG1 3.27Å; Y53-V192 HydrophobicContact CD1-CB 4.26Å; Y53-V192 HydrophobicContact CD1-CG2 3.78Å; Y53-V192 HydrophobicContact CD2-CG2 3.6Å; Y53-V192 HydrophobicContact CE1-CB 4.18Å; Y53-V192 HydrophobicContact CE1-CG2 3.61Å; Y53-V192 HydrophobicContact CE2-CG2 3.42Å; Y53-V192 VanDerWaalsContact CE2-CG2 3.42Å; Y53-V192 HydrophobicContact CG-CG2 3.78Å; Y53-V192 VanDerWaalsContact CZ-CG2 3.43Å; H188-V192 VanDerWaalsContact O-CG2 3.3Å; H188-V192 WeakPolarHBondContact O-CG2 3.24Å; H188-V192 PolarHBondContact O-N 2.93Å; M189-V192 HydrophobicContact CE-CG2 4.44Å; H190-V192 VanDerWaalsContact C-N 3.34Å; H190-V192 PolarHBondContact O-N 3.49Å; V192-C194 VanDerWaalsContact C-N 3.28Å; V192-C194 PolarHBondContact O-N 3.48Å; V192-Q195 WeakPolarHBondContact O-CB 3.25Å; V192-Q195 PolarHBondContact O-N 2.86Å; V192-W196 PolarHBondContact O-N 3.03Å; V192-W196 VanDerWaalsContact O-N 3.14Å |
| 193 | R | 88 | Confident | 84.6 | Confident | 120 Ų | 120 | 47.3 Ų | 47.3 | 45% | 0.453 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61 | -38.2 | 180 | -68.9 | 171.5 | -174.1 | 173.5 | 3 | 111.9 | L38 M189 H190 Q195 W196 A197 | L38-R193 PolarHBondContact O-NH2 3.32Å; M189-R193 WeakPolarHBondContact O-CG 3.36Å; M189-R193 PolarHBondContact O-N 3.15Å; M189-R193 VanDerWaalsContact O-N 3.14Å; H190-R193 PolarHBondContact O-N 3.05Å; R193-Q195 VanDerWaalsContact C-N 3.33Å; R193-Q195 PolarHBondContact O-N 2.82Å; R193-W196 PolarHBondContact O-N 3.26Å; R193-A197 WeakPolarHBondContact O-CB 3.49Å; R193-A197 PolarHBondContact O-N 2.94Å |
| 194 | C | 89.9 | Confident | 85.5 | Confident | 18 Ų | 18 | 50 Ų | 50 | 12% | 0.122 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.4 | -36.4 | 175.1 | -66.3 | 0 | 0 | 0 | 0 | 112.1 | Q180 H190 T191 V192 A197 V198 | Q180-C194 HydrophobicContact CG-CB 3.6Å; Q180-C194 VanDerWaalsContact NE2-C 3.3Å; Q180-C194 PolarHBondContact NE2-O 2.83Å; Q180-C194 VanDerWaalsContact NE2-O 3.09Å; H190-C194 PolarHBondContact O-N 2.86Å; H190-C194 PolarHBondContact O-SG 3.27Å; T191-C194 PolarHBondContact O-N 3.37Å; V192-C194 VanDerWaalsContact C-N 3.28Å; V192-C194 PolarHBondContact O-N 3.48Å; C194-A197 PolarHBondContact O-N 2.73Å; C194-V198 WeakPolarHBondContact O-CG2 3.3Å; C194-V198 PolarHBondContact O-N 3.35Å |
| 195 | Q | 92.2 | Very high | 86.9 | Confident | 18 Ų | 18 | 45 Ų | 45 | 8% | 0.084 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.7 | -48 | 175.7 | -167.8 | -168.3 | 46.1 | 0 | 0 | 111.5 | Y53 S55 Q180 T191 V192 R193 A197 V198 V199 | Y53-Q195 HydrophobicContact CD1-CB 4.26Å; S55-Q195 PolarHBondContact OG-NE2 2.95Å; S55-Q195 VanDerWaalsContact OG-NE2 3.15Å; Q180-Q195 VanDerWaalsContact NE2-CA 3.3Å; T191-Q195 PolarHBondContact O-N 3.34Å; V192-Q195 WeakPolarHBondContact O-CB 3.25Å; V192-Q195 PolarHBondContact O-N 2.86Å; R193-Q195 VanDerWaalsContact C-N 3.33Å; R193-Q195 PolarHBondContact O-N 2.82Å; Q195-A197 VanDerWaalsContact C-N 3.32Å; Q195-A197 PolarHBondContact O-N 2.92Å; Q195-V198 PolarHBondContact O-N 3.03Å; Q195-V199 PolarHBondContact O-N 3.21Å; Q195-V199 VanDerWaalsContact O-N 3.14Å |
| 196 | W | 94.8 | Very high | 88.6 | Confident | 15 Ų | 15 | 39.2 Ų | 39.2 | 6% | 0.057 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.7 | -45.3 | 173.9 | -80.8 | 89.4 | 0 | 0 | 0 | 111.6 | W23 Y26 P52 I54 V192 R193 V198 V199 M200 | W23-W196 HydrophobicContact CD2-CH2 4.16Å; W23-W196 AromaticContact CD2-CZ3 3.86Å; W23-W196 HydrophobicContact CD2-CZ3 3.86Å; W23-W196 AromaticContact CE2-CZ3 3.74Å; W23-W196 HydrophobicContact CE3-CH2 4.16Å; W23-W196 HydrophobicContact CE3-CZ3 4.23Å; W23-W196 HydrophobicContact CG-CZ3 4.3Å; W23-W196 HydrophobicContact CH2-CZ3 4.39Å; W23-W196 HydrophobicContact CZ2-CE3 4.17Å; W23-W196 HydrophobicContact CZ2-CZ3 4.03Å; W23-W196 HydrophobicContact CZ3-CH2 4.47Å; W23-W196 HydrophobicContact CZ3-CZ3 4.48Å; Y26-W196 HydrophobicContact CD2-CZ2 4.23Å; Y26-W196 HydrophobicContact CG-CH2 4.34Å; Y26-W196 HydrophobicContact CG-CZ2 4.11Å; P52-W196 PolarHBondContact O-NE1 3.47Å; I54-W196 HydrophobicContact CD1-CD2 3.72Å; I54-W196 HydrophobicContact CD1-CE3 3.89Å; I54-W196 HydrophobicContact CD1-CG 4.06Å; I54-W196 HydrophobicContact CD1-CZ2 4.45Å; I54-W196 HydrophobicContact CD1-CZ3 4.33Å; I54-W196 HydrophobicContact CG1-CD2 3.66Å; I54-W196 HydrophobicContact CG1-CE3 4.13Å; I54-W196 HydrophobicContact CG1-CG 4.12Å; I54-W196 HydrophobicContact CG1-CH2 4.12Å; I54-W196 HydrophobicContact CG1-CZ2 3.65Å; I54-W196 HydrophobicContact CG1-CZ3 4.34Å; V192-W196 PolarHBondContact O-N 3.03Å; V192-W196 VanDerWaalsContact O-N 3.14Å; R193-W196 PolarHBondContact O-N 3.26Å; W196-V198 PolarHBondContact O-N 3.4Å; W196-V199 PolarHBondContact O-N 3.17Å; W196-M200 HydrophobicContact CE3-CE 3.69Å; W196-M200 HydrophobicContact CZ3-CE 3.77Å; W196-M200 VanDerWaalsContact O-CG 3.29Å; W196-M200 WeakPolarHBondContact O-CG 3.42Å; W196-M200 PolarHBondContact O-N 3.48Å |
| 197 | A | 95.3 | Very high | 90.1 | Very high | 37 Ų | 37 | 36 Ų | 36 | 31% | 0.306 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.3 | -45.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R193 C194 Q195 V199 M200 L201 | R193-A197 WeakPolarHBondContact O-CB 3.49Å; R193-A197 PolarHBondContact O-N 2.94Å; C194-A197 PolarHBondContact O-N 2.73Å; Q195-A197 VanDerWaalsContact C-N 3.32Å; Q195-A197 PolarHBondContact O-N 2.92Å; A197-V199 PolarHBondContact O-N 3.36Å; A197-M200 PolarHBondContact O-N 2.88Å; A197-L201 WeakPolarHBondContact O-CB 3.32Å; A197-L201 WeakPolarHBondContact O-CG 3.37Å; A197-L201 PolarHBondContact O-N 3.27Å |
| 198 | V | 95.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57 | -49.2 | 176.6 | 165.6 | 0 | 0 | 0 | 0 | 111.2 | F136 C176 I177 C194 Q195 W196 M200 L201 F202 | F136-V198 HydrophobicContact CD1-CG1 4.18Å; F136-V198 HydrophobicContact CE1-CG1 4.27Å; F136-V198 HydrophobicContact CG-CG1 4.49Å; C176-V198 HydrophobicContact CB-CG2 3.27Å; I177-V198 HydrophobicContact CG1-CG1 4.15Å; I177-V198 HydrophobicContact CG1-CG2 3.93Å; C194-V198 WeakPolarHBondContact O-CG2 3.3Å; C194-V198 PolarHBondContact O-N 3.35Å; Q195-V198 PolarHBondContact O-N 3.03Å; W196-V198 PolarHBondContact O-N 3.4Å; V198-M200 PolarHBondContact O-N 3.41Å; V198-L201 PolarHBondContact O-N 3.14Å; V198-F202 HydrophobicContact CG1-CD2 3.66Å; V198-F202 HydrophobicContact CG1-CE2 3.61Å; V198-F202 VanDerWaalsContact O-CD2 3.29Å; V198-F202 WeakPolarHBondContact O-CD2 3.49Å; V198-F202 PolarHBondContact O-N 3.35Å |
| 199 | V | 97 | Very high | 92.8 | Very high | 19 Ų | 19 | 30.2 Ų | 30.2 | 12% | 0.115 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.7 | -46.3 | -179 | 175 | 0 | 0 | 0 | 0 | 110.8 | L22 I54 F136 Q195 W196 A197 L201 F202 L203 | L22-V199 HydrophobicContact CD1-CG1 3.62Å; I54-V199 HydrophobicContact CD1-CB 3.92Å; I54-V199 HydrophobicContact CD1-CG1 4.25Å; I54-V199 HydrophobicContact CD1-CG2 3.7Å; F136-V199 HydrophobicContact CE1-CG2 4.02Å; F136-V199 HydrophobicContact CZ-CG2 3.8Å; Q195-V199 PolarHBondContact O-N 3.21Å; Q195-V199 VanDerWaalsContact O-N 3.14Å; W196-V199 PolarHBondContact O-N 3.17Å; A197-V199 PolarHBondContact O-N 3.36Å; V199-L201 VanDerWaalsContact C-N 3.35Å; V199-L201 PolarHBondContact O-N 3.17Å; V199-F202 WeakPolarHBondContact O-CB 3.29Å; V199-F202 PolarHBondContact O-N 2.95Å; V199-L203 HydrophobicContact CG1-CD1 4.29Å; V199-L203 WeakPolarHBondContact O-CG 3.32Å; V199-L203 PolarHBondContact O-N 2.88Å |
| 200 | M | 97.6 | Very high | 93.4 | Very high | 46 Ų | 46 | 30.4 Ų | 30.4 | 23% | 0.227 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.1 | -39.4 | 179.1 | -63.6 | -58.1 | 154.2 | 0 | 0 | 112.2 | A19 W196 A197 V198 L203 I204 | A19-M200 HydrophobicContact CB-CE 4.33Å; A19-M200 HydrophobicContact CB-SD 4Å; W196-M200 HydrophobicContact CE3-CE 3.69Å; W196-M200 HydrophobicContact CZ3-CE 3.77Å; W196-M200 VanDerWaalsContact O-CG 3.29Å; W196-M200 WeakPolarHBondContact O-CG 3.42Å; W196-M200 PolarHBondContact O-N 3.48Å; A197-M200 PolarHBondContact O-N 2.88Å; V198-M200 PolarHBondContact O-N 3.41Å; M200-L203 PolarHBondContact O-N 2.81Å; M200-L203 HydrophobicContact SD-CD1 4.32Å; M200-I204 VanDerWaalsContact O-CG1 3.26Å; M200-I204 WeakPolarHBondContact O-CG1 3.48Å; M200-I204 PolarHBondContact O-N 2.96Å |
| 201 | L | 98 | Very high | 93.5 | Very high | 32 Ų | 32 | 28 Ų | 28 | 17% | 0.168 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.4 | -39.1 | 175.6 | -72.2 | 168.2 | 0 | 0 | 0 | 112.1 | L169 A172 I173 A197 V198 V199 I204 Y205 | L169-L201 HydrophobicContact CD2-CD2 3.87Å; A172-L201 HydrophobicContact CB-CD1 3.94Å; A172-L201 HydrophobicContact CB-CD2 4.39Å; I173-L201 HydrophobicContact CD1-CB 4.2Å; I173-L201 HydrophobicContact CG1-CB 3.53Å; I173-L201 HydrophobicContact CG1-CD1 4.32Å; A197-L201 WeakPolarHBondContact O-CB 3.32Å; A197-L201 WeakPolarHBondContact O-CG 3.37Å; A197-L201 PolarHBondContact O-N 3.27Å; V198-L201 PolarHBondContact O-N 3.14Å; V199-L201 VanDerWaalsContact C-N 3.35Å; V199-L201 PolarHBondContact O-N 3.17Å; L201-I204 PolarHBondContact O-N 3.09Å; L201-Y205 WeakPolarHBondContact O-CB 3.29Å; L201-Y205 PolarHBondContact O-N 3.49Å |
| 202 | F | 98 | Very high | 93.5 | Very high | 28 Ų | 28 | 27.8 Ų | 27.8 | 12% | 0.123 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61 | -45.3 | 172.5 | -90.5 | -65.3 | 0 | 0 | 0 | 112 | F136 G139 N140 C143 I173 V198 V199 Y205 I206 | F136-F202 HydrophobicContact CB-CE2 4.43Å; F136-F202 HydrophobicContact CD1-CD2 4.09Å; F136-F202 AromaticContact CD1-CE2 3.68Å; F136-F202 HydrophobicContact CD1-CE2 3.68Å; F136-F202 HydrophobicContact CE1-CD2 4.41Å; F136-F202 HydrophobicContact CE1-CE2 4.43Å; F136-F202 HydrophobicContact CG-CE2 4.41Å; G139-F202 VanDerWaalsContact C-CE1 3.47Å; N140-F202 HydrophobicContact CB-CZ 4Å; C143-F202 VanDerWaalsContact SG-CE1 3.57Å; I173-F202 HydrophobicContact CD1-CD1 3.95Å; I173-F202 HydrophobicContact CD1-CE1 4.17Å; I173-F202 HydrophobicContact CD1-CG 4.14Å; I173-F202 HydrophobicContact CG2-CD2 4.14Å; I173-F202 HydrophobicContact CG2-CE1 4.18Å; I173-F202 HydrophobicContact CG2-CE2 3.52Å; I173-F202 HydrophobicContact CG2-CZ 3.55Å; V198-F202 HydrophobicContact CG1-CD2 3.66Å; V198-F202 HydrophobicContact CG1-CE2 3.61Å; V198-F202 VanDerWaalsContact O-CD2 3.29Å; V198-F202 WeakPolarHBondContact O-CD2 3.49Å; V198-F202 PolarHBondContact O-N 3.35Å; V199-F202 WeakPolarHBondContact O-CB 3.29Å; V199-F202 PolarHBondContact O-N 2.95Å; F202-Y205 WeakPolarHBondContact O-CB 3.43Å; F202-Y205 PolarHBondContact O-N 3Å; F202-I206 WeakPolarHBondContact O-CG1 3.42Å; F202-I206 PolarHBondContact O-N 2.9Å |
| 203 | L | 97.9 | Very high | 93.3 | Very high | 18 Ų | 18 | 27.8 Ų | 27.8 | 9% | 0.094 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.7 | -41.7 | 178.5 | -63.1 | 177 | 0 | 0 | 0 | 111.5 | S15 T18 A19 V199 M200 Y205 I206 S207 | S15-L203 WeakPolarHBondContact CB-O 3.29Å; S15-L203 PolarHBondContact OG-O 2.77Å; T18-L203 HydrophobicContact CG2-CD1 4.03Å; T18-L203 HydrophobicContact CG2-CD2 3.88Å; A19-L203 HydrophobicContact CB-CD1 3.88Å; V199-L203 HydrophobicContact CG1-CD1 4.29Å; V199-L203 WeakPolarHBondContact O-CG 3.32Å; V199-L203 PolarHBondContact O-N 2.88Å; M200-L203 PolarHBondContact O-N 2.81Å; M200-L203 HydrophobicContact SD-CD1 4.32Å; L203-Y205 VanDerWaalsContact C-N 3.33Å; L203-Y205 PolarHBondContact O-N 3.07Å; L203-I206 PolarHBondContact O-N 3.03Å; L203-S207 WeakPolarHBondContact O-CB 3.48Å; L203-S207 PolarHBondContact O-N 3.2Å; L203-S207 PolarHBondContact O-OG 3.34Å |
| 204 | I | 97.5 | Very high | 92.9 | Very high | 90 Ų | 90 | 28.6 Ų | 28.6 | 46% | 0.462 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -60.4 | -45 | 172.5 | -68.1 | 164.2 | 0 | 0 | 0 | 110.2 | L169 M200 L201 I206 S207 T208 | L169-I204 HydrophobicContact CD1-CG2 4.06Å; L169-I204 HydrophobicContact CD2-CG2 3.95Å; M200-I204 VanDerWaalsContact O-CG1 3.26Å; M200-I204 WeakPolarHBondContact O-CG1 3.48Å; M200-I204 PolarHBondContact O-N 2.96Å; L201-I204 PolarHBondContact O-N 3.09Å; I204-I206 PolarHBondContact O-N 3.17Å; I204-S207 WeakPolarHBondContact O-CB 3.45Å; I204-S207 PolarHBondContact O-N 2.92Å; I204-T208 WeakPolarHBondContact O-CG2 3.38Å; I204-T208 PolarHBondContact O-N 3.04Å |
| 205 | Y | 97.4 | Very high | 92 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.5 | -50 | 177.1 | -174.2 | -77.7 | 0 | 0 | 0 | 111.4 | C143 Q146 S147 R166 L169 S170 L201 F202 L203 S207 T208 F209 | C143-Y205 HydrophobicContact CB-CD1 4.35Å; C143-Y205 HydrophobicContact CB-CD2 4.07Å; C143-Y205 HydrophobicContact CB-CE1 4.05Å; C143-Y205 HydrophobicContact CB-CE2 3.73Å; C143-Y205 HydrophobicContact CB-CG 4.39Å; C143-Y205 PolarHBondContact O-OH 3.27Å; C143-Y205 VanDerWaalsContact SG-CD1 3.6Å; Q146-Y205 WeakPolarHBondContact CB-OH 3.46Å; S147-Y205 PolarHBondContact N-OH 2.83Å; S147-Y205 PolarHBondContact OG-OH 3.26Å; R166-Y205 HydrophobicContact CB-CD2 4.46Å; R166-Y205 HydrophobicContact CB-CE2 3.64Å; R166-Y205 HydrophobicContact CG-CD2 4.39Å; R166-Y205 HydrophobicContact CG-CE2 3.79Å; L169-Y205 HydrophobicContact CB-CD2 3.88Å; L169-Y205 HydrophobicContact CD1-CD2 4.36Å; S170-Y205 WeakPolarHBondContact OG-CE2 3.45Å; L201-Y205 WeakPolarHBondContact O-CB 3.29Å; L201-Y205 PolarHBondContact O-N 3.49Å; F202-Y205 WeakPolarHBondContact O-CB 3.43Å; F202-Y205 PolarHBondContact O-N 3Å; L203-Y205 VanDerWaalsContact C-N 3.33Å; L203-Y205 PolarHBondContact O-N 3.07Å; Y205-S207 VanDerWaalsContact C-N 3.31Å; Y205-S207 PolarHBondContact O-N 3.15Å; Y205-T208 WeakPolarHBondContact O-CB 3.47Å; Y205-T208 PolarHBondContact O-N 2.81Å; Y205-T208 VanDerWaalsContact O-N 3.11Å; Y205-T208 PolarHBondContact O-OG1 3.42Å; Y205-F209 HydrophobicContact CD1-CE2 4.44Å; Y205-F209 HydrophobicContact CE1-CE2 4.09Å; Y205-F209 AromaticContact CE1-CZ 3.89Å; Y205-F209 HydrophobicContact CE1-CZ 3.89Å |
| 206 | I | 96 | Very high | 91 | Very high | 15 Ų | 15 | 32.1 Ų | 32.1 | 8% | 0.077 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.1 | -42.5 | 177.6 | -67.1 | -60.8 | 0 | 0 | 0 | 110.9 | P11 L14 V81 F106 F202 L203 I204 T208 F209 | P11-I206 HydrophobicContact CB-CG2 4.16Å; P11-I206 VanDerWaalsContact CB-O 3.28Å; P11-I206 WeakPolarHBondContact CB-O 3.44Å; L14-I206 HydrophobicContact CD2-CG2 4.06Å; V81-I206 HydrophobicContact CG1-CG2 4.45Å; F106-I206 HydrophobicContact CE2-CD1 4.17Å; F106-I206 HydrophobicContact CZ-CD1 3.77Å; F202-I206 WeakPolarHBondContact O-CG1 3.42Å; F202-I206 PolarHBondContact O-N 2.9Å; L203-I206 PolarHBondContact O-N 3.03Å; I204-I206 PolarHBondContact O-N 3.17Å; I206-T208 PolarHBondContact O-N 2.93Å; I206-T208 VanDerWaalsContact O-N 3.13Å; I206-F209 HydrophobicContact CD1-CD2 4.28Å; I206-F209 HydrophobicContact CD1-CE2 3.93Å; I206-F209 WeakPolarHBondContact O-CB 3.37Å; I206-F209 WeakPolarHBondContact O-CD2 3.16Å; I206-F209 PolarHBondContact O-N 2.79Å |
| 207 | S | 95.4 | Very high | 89.8 | Confident | 32 Ų | 32 | 40.1 Ų | 40.1 | 22% | 0.224 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56 | -30.9 | 176.6 | -66.5 | 0 | 0 | 0 | 0 | 113.2 | S15 L203 I204 Y205 F209 A210 | S15-S207 WeakPolarHBondContact CB-OG 3.31Å; S15-S207 PolarHBondContact OG-OG 2.87Å; L203-S207 WeakPolarHBondContact O-CB 3.48Å; L203-S207 PolarHBondContact O-N 3.2Å; L203-S207 PolarHBondContact O-OG 3.34Å; I204-S207 WeakPolarHBondContact O-CB 3.45Å; I204-S207 PolarHBondContact O-N 2.92Å; Y205-S207 VanDerWaalsContact C-N 3.31Å; Y205-S207 PolarHBondContact O-N 3.15Å; S207-F209 PolarHBondContact O-N 3Å; S207-F209 VanDerWaalsContact O-N 3.12Å; S207-A210 WeakPolarHBondContact O-CB 3.38Å; S207-A210 PolarHBondContact O-N 3.2Å; S207-A210 VanDerWaalsContact O-N 3.13Å |
| 208 | T | 94.1 | Very high | 88.7 | Confident | 19 Ų | 19 | 41.2 Ų | 41.2 | 12% | 0.117 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -18.8 | 177.2 | 74.1 | 0 | 0 | 0 | 0 | 113.4 | R166 L169 I204 Y205 I206 A210 I211 | R166-T208 PolarHBondContact NE-OG1 2.87Å; R166-T208 VanDerWaalsContact NH2-C 3.33Å; R166-T208 PolarHBondContact NH2-O 3.44Å; R166-T208 PolarHBondContact NH2-OG1 3.27Å; L169-T208 HydrophobicContact CD1-CG2 3.95Å; I204-T208 WeakPolarHBondContact O-CG2 3.38Å; I204-T208 PolarHBondContact O-N 3.04Å; Y205-T208 WeakPolarHBondContact O-CB 3.47Å; Y205-T208 PolarHBondContact O-N 2.81Å; Y205-T208 VanDerWaalsContact O-N 3.11Å; Y205-T208 PolarHBondContact O-OG1 3.42Å; I206-T208 PolarHBondContact O-N 2.93Å; I206-T208 VanDerWaalsContact O-N 3.13Å; T208-A210 PolarHBondContact O-N 3.12Å; T208-I211 WeakPolarHBondContact O-CB 3.13Å; T208-I211 PolarHBondContact O-N 2.94Å |
| 209 | F | 91.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.9 | -21.2 | 176 | -70.8 | -55.4 | 0 | 0 | 0 | 113.4 | P11 V81 R85 Y142 Q146 R166 Y205 I206 S207 I211 D212 F213 | P11-F209 HydrophobicContact CB-CB 4.37Å; P11-F209 HydrophobicContact CG-CB 4.05Å; V81-F209 HydrophobicContact CG1-CB 4.32Å; V81-F209 HydrophobicContact CG1-CD2 3.88Å; V81-F209 HydrophobicContact CG1-CG 4.4Å; R85-F209 HydrophobicContact CG-CD1 4.32Å; R85-F209 HydrophobicContact CG-CE1 3.93Å; R85-F209 HydrophobicContact CG-CZ 4.36Å; Y142-F209 HydrophobicContact CE1-CE2 4.01Å; Y142-F209 AromaticContact CE1-CZ 3.97Å; Y142-F209 HydrophobicContact CE1-CZ 3.97Å; Q146-F209 HydrophobicContact CB-CE1 4.45Å; Q146-F209 HydrophobicContact CB-CZ 4.14Å; Q146-F209 HydrophobicContact CG-CZ 4.09Å; R166-F209 VanDerWaalsContact NH2-CD1 3.29Å; Y205-F209 HydrophobicContact CD1-CE2 4.44Å; Y205-F209 HydrophobicContact CE1-CE2 4.09Å; Y205-F209 AromaticContact CE1-CZ 3.89Å; Y205-F209 HydrophobicContact CE1-CZ 3.89Å; I206-F209 HydrophobicContact CD1-CD2 4.28Å; I206-F209 HydrophobicContact CD1-CE2 3.93Å; I206-F209 WeakPolarHBondContact O-CB 3.37Å; I206-F209 WeakPolarHBondContact O-CD2 3.16Å; I206-F209 PolarHBondContact O-N 2.79Å; S207-F209 PolarHBondContact O-N 3Å; S207-F209 VanDerWaalsContact O-N 3.12Å; F209-I211 PolarHBondContact O-N 2.93Å; F209-D212 PolarHBondContact O-N 3.44Å; F209-F213 HydrophobicContact CB-CE2 4.22Å; F209-F213 HydrophobicContact CB-CZ 4.25Å; F209-F213 WeakPolarHBondContact O-CG 3.12Å; F209-F213 PolarHBondContact O-N 3.22Å |
| 210 | A | 90.3 | Very high | 86.3 | Confident | 16 Ų | 16 | 52.6 Ų | 52.6 | 13% | 0.132 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.4 | -37.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112 | V8 P12 S207 T208 D212 F213 R214 | V8-A210 HydrophobicContact CG1-CB 4.37Å; V8-A210 WeakPolarHBondContact CG1-O 3.48Å; V8-A210 WeakPolarHBondContact O-CB 3.46Å; P12-A210 HydrophobicContact CG-CB 4.15Å; S207-A210 WeakPolarHBondContact O-CB 3.38Å; S207-A210 PolarHBondContact O-N 3.2Å; S207-A210 VanDerWaalsContact O-N 3.13Å; T208-A210 PolarHBondContact O-N 3.12Å; A210-D212 VanDerWaalsContact C-N 3.29Å; A210-D212 PolarHBondContact O-N 2.96Å; A210-F213 PolarHBondContact O-N 3.2Å; A210-R214 PolarHBondContact O-N 3.34Å |
| 211 | I | 85.4 | Confident | 85.4 | Confident | 54 Ų | 54 | 55.3 Ų | 55.3 | 28% | 0.277 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.9 | -40.5 | 178.7 | -56.1 | 172.8 | 0 | 0 | 0 | 110.2 | F162 T208 F209 R214 | F162-I211 HydrophobicContact CD1-CD1 3.83Å; F162-I211 HydrophobicContact CD1-CG2 3.93Å; F162-I211 HydrophobicContact CD2-CG2 3.95Å; F162-I211 HydrophobicContact CE1-CD1 3.78Å; F162-I211 HydrophobicContact CE1-CG2 3.61Å; F162-I211 HydrophobicContact CE2-CG2 3.62Å; F162-I211 HydrophobicContact CG-CG2 4.11Å; F162-I211 HydrophobicContact CZ-CG2 3.45Å; F162-I211 VanDerWaalsContact CZ-CG2 3.45Å; T208-I211 WeakPolarHBondContact O-CB 3.13Å; T208-I211 PolarHBondContact O-N 2.94Å; F209-I211 PolarHBondContact O-N 2.93Å; I211-R214 WeakPolarHBondContact O-CD 3.21Å; I211-R214 WeakPolarHBondContact O-CG 3.42Å |
| 212 | D | 83 | Confident | 84.4 | Confident | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.027 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -72 | -40.7 | 178.2 | -71.7 | -20.5 | 0 | 0 | 0 | 111.7 | R85 Q88 R166 F209 A210 R214 H215 | R85-D212 IonicContact CZ-OD2 3.22Å; R85-D212 VanDerWaalsContact NH1-CG 3.33Å; R85-D212 IonicContact NH1-OD2 2.72Å; R85-D212 PolarHBondContact NH1-OD2 3.48Å; R85-D212 IonicContact NH2-OD2 3.32Å; R85-D212 PolarHBondContact NH2-OD2 3.32Å; Q88-D212 PolarHBondContact NE2-O 2.96Å; R166-D212 IonicContact CZ-OD2 3.86Å; R166-D212 IonicContact NH1-OD2 2.67Å; R166-D212 PolarHBondContact NH1-OD2 3.45Å; R166-D212 VanDerWaalsContact NH2-CG 3.34Å; R166-D212 IonicContact NH2-OD1 3.15Å; R166-D212 IonicContact NH2-OD2 2.59Å; R166-D212 PolarHBondContact NH2-OD2 3.48Å; F209-D212 PolarHBondContact O-N 3.44Å; A210-D212 VanDerWaalsContact C-N 3.29Å; A210-D212 PolarHBondContact O-N 2.96Å; D212-R214 PolarHBondContact O-N 3.28Å; D212-H215 PolarHBondContact O-N 3.21Å |
| 213 | F | 83.9 | Confident | 83.3 | Confident | 1 Ų | 1 | 67.9 Ų | 67.9 | 0% | 0.004 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.9 | -21.7 | -179.8 | -64.3 | -18.1 | 0 | 0 | 0 | 112.7 | V8 P11 V81 L84 R85 Q88 F209 A210 H215 C216 F218 | V8-F213 HydrophobicContact CG2-CB 4.09Å; P11-F213 HydrophobicContact CG-CD2 3.89Å; P11-F213 HydrophobicContact CG-CE2 3.72Å; V81-F213 HydrophobicContact CG1-CE2 4.14Å; V81-F213 HydrophobicContact CG1-CZ 4.21Å; L84-F213 HydrophobicContact CB-CE1 4.17Å; L84-F213 HydrophobicContact CB-CE2 4.22Å; L84-F213 HydrophobicContact CB-CZ 3.68Å; L84-F213 HydrophobicContact CD1-CE2 4.32Å; R85-F213 HydrophobicContact CB-CE1 4.39Å; R85-F213 HydrophobicContact CB-CZ 4.35Å; Q88-F213 VanDerWaalsContact OE1-CD1 3.31Å; Q88-F213 VanDerWaalsContact OE1-CE1 3.28Å; F209-F213 HydrophobicContact CB-CE2 4.22Å; F209-F213 HydrophobicContact CB-CZ 4.25Å; F209-F213 WeakPolarHBondContact O-CG 3.12Å; F209-F213 PolarHBondContact O-N 3.22Å; A210-F213 PolarHBondContact O-N 3.2Å; F213-H215 PolarHBondContact O-N 3.21Å; F213-H215 VanDerWaalsContact O-N 3.08Å; F213-C216 PolarHBondContact O-N 3.33Å; F213-F218 HydrophobicContact CD1-CE2 4.07Å; F213-F218 HydrophobicContact CD1-CZ 4.5Å; F213-F218 HydrophobicContact CE1-CE2 4.4Å; F213-F218 HydrophobicContact CE1-CZ 4.49Å; F213-F218 HydrophobicContact CG-CE2 4.43Å |
| 214 | R | 80 | Confident | 82.5 | Confident | 138 Ų | 138 | 73.7 Ų | 73.7 | 52% | 0.521 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -23 | 173.9 | 96.3 | -168.1 | -145.2 | 162.1 | 13.6 | 113 | R5 V8 A210 I211 D212 | R5-R214 PolarHBondContact NH1-O 2.89Å; V8-R214 HydrophobicContact CG1-CB 4.46Å; A210-R214 PolarHBondContact O-N 3.34Å; I211-R214 WeakPolarHBondContact O-CD 3.21Å; I211-R214 WeakPolarHBondContact O-CG 3.42Å; D212-R214 PolarHBondContact O-N 3.28Å |
| 215 | H | 71.4 | Confident | 80.9 | Confident | 75 Ų | 75 | 76 Ų | 76 | 35% | 0.347 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -0.7 | -178.9 | -65.8 | -59.1 | 0 | 0 | 0 | 113.6 | N156 D212 F213 | N156-H215 PolarHBondContact ND2-ND1 3.25Å; D212-H215 PolarHBondContact O-N 3.21Å; F213-H215 PolarHBondContact O-N 3.21Å; F213-H215 VanDerWaalsContact O-N 3.08Å |
| 216 | C | 71.2 | Confident | 79.2 | Confident | 34 Ų | 34 | 82.1 Ų | 82.1 | 23% | 0.23 | 42% | 0.421 | C | S | . | . | trans | -118.6 | 148 | 178.8 | -65.1 | 0 | 0 | 0 | 0 | 111.2 | Q88 F213 F218 | Q88-C216 PolarHBondContact NE2-SG 2.82Å; F213-C216 PolarHBondContact O-N 3.33Å; C216-F218 HydrophobicContact CB-CE2 4.29Å | ||
| 217 | R | 69.6 | Low | 77.4 | Confident | 184 Ų | 184 | 89 Ų | 89 | 69% | 0.694 | 45% | 0.453 | S | S | * | . | trans | -112.7 | 115.3 | 170.6 | -165.5 | -177.6 | -173.9 | -145.5 | 2.3 | 107.3 | E219 | R217-E219 WeakPolarHBondContact CD-OE1 3.47Å; R217-E219 HydrophobicContact CG-CG 4.23Å; R217-E219 IonicContact CZ-OE1 3.24Å; R217-E219 VanDerWaalsContact CZ-OE1 3.24Å; R217-E219 IonicContact NE-OE1 3.52Å; R217-E219 VanDerWaalsContact NH1-CD 3.28Å; R217-E219 IonicContact NH1-OE1 3.82Å; R217-E219 PolarHBondContact NH1-OE1 3.36Å; R217-E219 IonicContact NH1-OE2 2.73Å | ||
| 218 | F | 70.4 | Confident | 75.1 | Confident | 59 Ų | 59 | 97.8 Ų | 97.8 | 26% | 0.259 | 48% | 0.482 | S | S | . | . | trans | -96.2 | 123.8 | 167.5 | -62.7 | -78.9 | 0 | 0 | 0 | 107.1 | L7 L84 F87 Q88 F213 C216 | L7-F218 HydrophobicContact CD1-CB 3.54Å; L7-F218 HydrophobicContact CD1-CD2 4.17Å; L7-F218 HydrophobicContact CD1-CG 4.19Å; L84-F218 HydrophobicContact CB-CE2 4.28Å; L84-F218 HydrophobicContact CB-CZ 4Å; L84-F218 HydrophobicContact CD2-CD1 4.03Å; L84-F218 HydrophobicContact CD2-CD2 4.22Å; L84-F218 HydrophobicContact CD2-CE1 4.06Å; L84-F218 HydrophobicContact CD2-CE2 4.25Å; L84-F218 HydrophobicContact CD2-CG 4.1Å; L84-F218 HydrophobicContact CD2-CZ 4.17Å; L84-F218 VanDerWaalsContact O-CZ 3.31Å; L84-F218 WeakPolarHBondContact O-CZ 3.42Å; F87-F218 HydrophobicContact CB-CE1 4.16Å; Q88-F218 HydrophobicContact CB-CZ 4.17Å; F213-F218 HydrophobicContact CD1-CE2 4.07Å; F213-F218 HydrophobicContact CD1-CZ 4.5Å; F213-F218 HydrophobicContact CE1-CE2 4.4Å; F213-F218 HydrophobicContact CE1-CZ 4.49Å; F213-F218 HydrophobicContact CG-CE2 4.43Å; C216-F218 HydrophobicContact CB-CE2 4.29Å | ||
| 219 | E | 72.9 | Confident | 72.5 | Confident | 123 Ų | 123 | 104.9 Ų | 104.9 | 58% | 0.575 | 51% | 0.511 | S | S | * | . | trans | -108.3 | 116 | 174.3 | -71.6 | 172.9 | -144 | 0 | 0 | 107.9 | R217 V221 | R217-E219 WeakPolarHBondContact CD-OE1 3.47Å; R217-E219 HydrophobicContact CG-CG 4.23Å; R217-E219 IonicContact CZ-OE1 3.24Å; R217-E219 VanDerWaalsContact CZ-OE1 3.24Å; R217-E219 IonicContact NE-OE1 3.52Å; R217-E219 VanDerWaalsContact NH1-CD 3.28Å; R217-E219 IonicContact NH1-OE1 3.82Å; R217-E219 PolarHBondContact NH1-OE1 3.36Å; R217-E219 IonicContact NH1-OE2 2.73Å; E219-V221 HydrophobicContact CB-CG2 4.45Å | ||
| 220 | V | 71.3 | Confident | 70.1 | Confident | 136 Ų | 136 | 110.6 Ų | 110.6 | 82% | 0.824 | 54% | 0.541 | S | S | * | . | trans | -90.3 | 105.4 | 171 | -178.2 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 221 | V | 77.9 | Confident | 67.9 | Low | 102 Ų | 102 | 121 Ų | 121 | 62% | 0.618 | 58% | 0.577 | S | S | * | * | trans | -97.8 | 109 | 178.7 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | E219 R223 | E219-V221 HydrophobicContact CB-CG2 4.45Å; V221-R223 HydrophobicContact CG1-CG 4.04Å | ||
| 222 | C | 75.9 | Confident | 65.6 | Low | 109 Ų | 109 | 128.8 Ų | 128.8 | 74% | 0.736 | 60% | 0.603 | S | S | * | * | trans | -81.8 | 123.3 | 166.1 | -166.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 223 | R | 76.1 | Confident | 63.8 | Low | 215 Ų | 215 | 137.1 Ų | 137.1 | 81% | 0.811 | 64% | 0.642 | S | S | * | * | trans | -109.7 | 109.7 | 173.1 | -70.6 | -169.3 | -179.3 | -152 | 0.1 | 108 | V221 T225 | V221-R223 HydrophobicContact CG1-CG 4.04Å; R223-T225 PolarHBondContact O-N 3.34Å | ||
| 224 | D | 79.9 | Confident | 61.7 | Low | 141 Ų | 141 | 142.8 Ų | 142.8 | 75% | 0.754 | 67% | 0.672 | S | S | * | * | trans | -74.3 | 110.2 | 166.1 | -63.2 | -38.6 | 0 | 0 | 0 | 107.5 | V226 | D224-V226 HydrophobicContact CB-CG2 4.35Å; D224-V226 PolarHBondContact O-N 2.93Å | ||
| 225 | T | 64.7 | Low | 59.9 | Low | 138 Ų | 138 | 141.7 Ų | 141.7 | 85% | 0.847 | 68% | 0.683 | S | S | * | * | trans | -75.3 | 75.3 | 166 | 49.4 | 0 | 0 | 0 | 0 | 108 | R223 E227 | R223-T225 PolarHBondContact O-N 3.34Å; T225-E227 PolarHBondContact O-N 3.16Å | ||
| 226 | V | 62.6 | Low | 58.4 | Low | 128 Ų | 128 | 145 Ų | 145 | 78% | 0.776 | 70% | 0.703 | S | S | * | * | trans | -67.8 | 119.3 | 160.8 | 179.9 | 0 | 0 | 0 | 0 | 106.2 | D224 R228 | D224-V226 HydrophobicContact CB-CG2 4.35Å; D224-V226 PolarHBondContact O-N 2.93Å; V226-R228 PolarHBondContact O-N 3.02Å | ||
| 227 | E | 56.6 | Low | 56.9 | Low | 160 Ų | 160 | 147.1 Ų | 147.1 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | trans | -45.7 | 109.7 | -179.7 | -65.8 | -178.9 | 142 | 0 | 0 | 111.3 | T225 K229 | T225-E227 PolarHBondContact O-N 3.16Å; E227-K229 PolarHBondContact O-N 3.18Å | ||
| 228 | R | 47.2 | Very low | 55.2 | Low | 217 Ų | 217 | 148.1 Ų | 148.1 | 82% | 0.819 | 74% | 0.736 | S | S | * | * | trans | -79.5 | 72.8 | 157 | -166.9 | -173.4 | -67.2 | -146.7 | 0.3 | 107.8 | V226 D230 | V226-R228 PolarHBondContact O-N 3.02Å; R228-D230 HydrophobicContact CG-CB 4.07Å; R228-D230 PolarHBondContact O-N 2.72Å | ||
| 229 | K | 41 | Very low | 53.8 | Low | 168 Ų | 168 | 150.3 Ų | 150.3 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | trans | -77.9 | 78.1 | 147.1 | -87 | -174.8 | 176.2 | 175 | 0 | 106.1 | E227 W231 | E227-K229 PolarHBondContact O-N 3.18Å; K229-W231 PolarHBondContact O-N 2.72Å | ||
| 230 | D | 40.5 | Very low | 52.1 | Low | 119 Ų | 119 | 152 Ų | 152 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | trans | -63.3 | 115.4 | 159 | -117.9 | -27.4 | 0 | 0 | 0 | 105.5 | R228 R232 | R228-D230 HydrophobicContact CG-CB 4.07Å; R228-D230 PolarHBondContact O-N 2.72Å; D230-R232 VanDerWaalsContact C-N 3.27Å; D230-R232 PolarHBondContact O-N 3.16Å | ||
| 231 | W | 43.6 | Very low | 50.3 | Low | 234 Ų | 234 | 148.4 Ų | 148.4 | 89% | 0.886 | 76% | 0.76 | S | S | * | * | trans | -60.8 | 92.6 | 166.9 | -70.9 | 93.2 | 0 | 0 | 0 | 107.8 | K229 E233 | K229-W231 PolarHBondContact O-N 2.72Å; W231-E233 VanDerWaalsContact C-N 3.32Å; W231-E233 PolarHBondContact O-N 3.34Å | ||
| 232 | R | 38.6 | Very low | 48.4 | Very low | 218 Ų | 218 | 153.4 Ų | 153.4 | 82% | 0.823 | 77% | 0.773 | S | S | * | * | trans | -72.6 | 99.3 | 153.2 | -85.8 | -161.1 | -105.8 | -174.5 | -3.2 | 106.5 | D230 D234 | D230-R232 VanDerWaalsContact C-N 3.27Å; D230-R232 PolarHBondContact O-N 3.16Å; R232-D234 VanDerWaalsContact C-N 3.29Å; R232-D234 PolarHBondContact O-N 3.12Å; R232-D234 VanDerWaalsContact O-N 3.08Å | ||
| 233 | E | 44.3 | Very low | 46.4 | Very low | 181 Ų | 181 | 157.8 Ų | 157.8 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -56.5 | 100.4 | 149.8 | -68.6 | 178.6 | 158.8 | 0 | 0 | 106.8 | W231 | W231-E233 VanDerWaalsContact C-N 3.32Å; W231-E233 PolarHBondContact O-N 3.34Å | ||
| 234 | D | 40.4 | Very low | 44.8 | Very low | 120 Ų | 120 | 156.7 Ų | 156.7 | 64% | 0.642 | 79% | 0.787 | S | S | * | * | trans | -102.7 | 117.6 | 155.3 | -98.7 | -33.1 | 0 | 0 | 0 | 107 | R232 D236 | R232-D234 VanDerWaalsContact C-N 3.29Å; R232-D234 PolarHBondContact O-N 3.12Å; R232-D234 VanDerWaalsContact O-N 3.08Å; D234-D236 VanDerWaalsContact C-N 3.29Å; D234-D236 PolarHBondContact O-N 3.29Å | ||
| 235 | P | 40.9 | Very low | 42.7 | Very low | 115 Ų | 115 | 159 Ų | 159 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | trans | -88.9 | 53.9 | -176.2 | 37.7 | -35.3 | 0 | 0 | 0 | 111.3 | ||||
| 236 | D | 41.2 | Very low | 41.6 | Very low | 143 Ų | 143 | 157.5 Ų | 157.5 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | trans | -106.9 | 83.1 | -179 | -68.1 | -13.3 | 0 | 0 | 0 | 110.5 | D234 Y238 | D234-D236 VanDerWaalsContact C-N 3.29Å; D234-D236 PolarHBondContact O-N 3.29Å; D236-Y238 PolarHBondContact O-N 3.49Å | ||
| 237 | G | 38.9 | Very low | 40.5 | Very low | 79 Ų | 79 | 159.9 Ų | 159.9 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | trans | -75.6 | 104.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 238 | Y | 34 | Very low | 39.4 | Very low | 205 Ų | 205 | 161.3 Ų | 161.3 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -144.4 | 121.8 | 151.9 | -160.9 | -91.2 | 0 | 0 | 0 | 110.8 | D236 | D236-Y238 PolarHBondContact O-N 3.49Š| ||
| 239 | P | 41.8 | Very low | 38.9 | Very low | 105 Ų | 105 | 159.8 Ų | 159.8 | 68% | 0.682 | 80% | 0.797 | S | S | * | * | trans | -95.4 | 126 | 162.9 | 32.6 | -21.6 | 0 | 0 | 0 | 110.5 | ||||
| 240 | D | 37.3 | Very low | 39.3 | Very low | 159 Ų | 159 | 156.7 Ų | 156.7 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | 34.5 | 134.3 | 126.6 | -159.1 | 19.3 | 0 | 0 | 0 | 119.8 | |||||
| 241 | G | 33.8 | Very low | 39.2 | Very low | 61 Ų | 61 | 158.7 Ų | 158.7 | 63% | 0.629 | 80% | 0.8 | S | S | * | * | trans | 134.8 | 103 | 154.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 242 | K | 36.3 | Very low | 38.8 | Very low | 206 Ų | 206 | 155.3 Ų | 155.3 | 90% | 0.896 | 79% | 0.794 | S | S | * | * | trans | -16.6 | 136.2 | 155.5 | -59.7 | 174.2 | 178.9 | 179.9 | 0 | 116.9 | ||||
| 243 | E | 35.3 | Very low | 38.7 | Very low | 202 Ų | 202 | 153.7 Ų | 153.7 | 94% | 0.944 | 80% | 0.796 | S | S | * | * | trans | -163.4 | 128.5 | 130.7 | -109.9 | 160.5 | -170.8 | 0 | 0 | 110.7 | ||||
| 244 | Q | 41.3 | Very low | 38.9 | Very low | 191 Ų | 191 | 150.2 Ų | 150.2 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | trans | -98.6 | 130.7 | 169.6 | -101 | 175.8 | -30 | 0 | 0 | 107 | ||||
| 245 | E | 37.3 | Very low | 38.7 | Very low | 190 Ų | 190 | 157.3 Ų | 157.3 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | trans | -167.1 | 165.2 | 154.9 | -114.3 | -172.3 | 177.8 | 0 | 0 | 110.7 | ||||
| 246 | P | 41.4 | Very low | 38.6 | Very low | 106 Ų | 106 | 159.5 Ų | 159.5 | 69% | 0.688 | 82% | 0.822 | S | S | * | * | -120.2 | 174.8 | -117.6 | 33.1 | -13.4 | 0 | 0 | 0 | 115.8 | |||||
| 247 | E | 38.8 | Very low | 38.5 | Very low | 178 Ų | 178 | 160.3 Ų | 160.3 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | trans | 19.7 | 127 | 155.8 | -69.9 | 178.1 | 146 | 0 | 0 | 120.6 | ||||
| 248 | Q | 33.5 | Very low | 38.4 | Very low | 191 Ų | 191 | 164.8 Ų | 164.8 | 89% | 0.893 | 83% | 0.826 | S | S | * | * | -179.6 | 135.7 | 109.2 | -96.3 | 170.7 | 3.5 | 0 | 0 | 113 | |||||
| 249 | E | 36.2 | Very low | 38.7 | Very low | 184 Ų | 184 | 162.5 Ų | 162.5 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | trans | -45.1 | -175.7 | 164.5 | -99.5 | 179.8 | 170.5 | 0 | 0 | 116.6 | ||||
| 250 | P | 50.8 | Low | 38.5 | Very low | 103 Ų | 103 | 166.1 Ų | 166.1 | 67% | 0.669 | 84% | 0.836 | S | S | * | * | cis | -138.8 | -166.5 | -17 | 27.1 | -2 | 0 | 0 | 0 | 113.5 | ||||
| 251 | E | 37.1 | Very low | 38.6 | Very low | 161 Ų | 161 | 166.5 Ų | 166.5 | 75% | 0.752 | 84% | 0.835 | S | S | * | * | trans | 118.2 | 100.2 | 145.3 | -76.9 | 179.8 | 162.5 | 0 | 0 | 119.8 | ||||
| 252 | Q | 36.5 | Very low | 38.9 | Very low | 164 Ų | 164 | 174.1 Ų | 174.1 | 77% | 0.766 | 85% | 0.85 | S | S | * | * | 64.3 | 115.1 | 124 | -70 | 178.2 | -4.8 | 0 | 0 | 121.3 | |||||
| 253 | E | 35.5 | Very low | 39.1 | Very low | 184 Ų | 184 | 171.6 Ų | 171.6 | 86% | 0.86 | 85% | 0.846 | S | S | * | * | 27.7 | 166.1 | 119.9 | -93.4 | -177.3 | -179.3 | 0 | 0 | 121 | |||||
| 254 | P | 47.6 | Very low | 39.4 | Very low | 108 Ų | 108 | 169.1 Ų | 169.1 | 70% | 0.701 | 84% | 0.838 | S | S | * | * | cis | -136.5 | 166.4 | -6.6 | 31.3 | -9.9 | 0 | 0 | 0 | 114.7 | ||||
| 255 | E | 37.3 | Very low | 39.3 | Very low | 269 Ų | 269 | 167.1 Ų | 167.1 | 100% | 1.257 | 83% | 0.833 | S | S | * | * | 176.2 | 0 | 122.1 | -95.5 | -165.6 | 177.4 | 0 | 0 | 110.7 |
Retrieved 255 of 255 residues in 493.9 ms
(Link to these results)