| 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 | 74 | Confident | 82.5 | Confident | 93 Ų | 93 | 87.2 Ų | 87.2 | 46% | 0.458 | 47% | 0.472 | S | S | . | . | 0 | -68.2 | 0 | -162.2 | 179.8 | 73.2 | 0 | 0 | 111.5 | A3 G4 L5 A24 L25 L28 | M1-A3 PolarHBondContact O-N 3.27Å; M1-G4 PolarHBondContact O-N 3.11Å; M1-G4 VanDerWaalsContact O-N 3.1Å; M1-L5 HydrophobicContact CG-CD1 4.02Å; M1-L5 WeakPolarHBondContact O-CG 3.47Å; M1-L5 PolarHBondContact O-N 2.8Å; M1-A24 HydrophobicContact SD-CB 4.2Å; M1-L25 HydrophobicContact CE-CD2 3.88Å; M1-L25 HydrophobicContact CE-CG 4.47Å; M1-L28 HydrophobicContact CE-CD2 4.46Å; M1-L28 HydrophobicContact SD-CB 4.16Å; M1-L28 HydrophobicContact SD-CD2 4.05Å; M1-L28 HydrophobicContact SD-CG 4.48Å | |||
| 2 | F | 81.5 | Confident | 82.4 | Confident | 125 Ų | 125 | 85.1 Ų | 85.1 | 55% | 0.548 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -54.5 | -47.9 | -177.1 | -58.7 | -84.4 | 0 | 0 | 0 | 114.8 | G4 L5 W6 L21 | F2-G4 VanDerWaalsContact C-N 3.31Å; F2-G4 PolarHBondContact O-N 3.31Å; F2-L5 PolarHBondContact O-N 3.1Å; F2-W6 WeakPolarHBondContact O-CB 3.38Å; F2-W6 PolarHBondContact O-N 3.18Å; F2-L21 HydrophobicContact CD1-CD1 3.82Å; F2-L21 HydrophobicContact CE1-CD1 3.36Å; F2-L21 HydrophobicContact CZ-CD1 4.36Å |
| 3 | A | 84.6 | Confident | 82.3 | Confident | 76 Ų | 76 | 84 Ų | 84 | 63% | 0.628 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.3 | -38.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | M1 W6 L7 | M1-A3 PolarHBondContact O-N 3.27Å; A3-W6 PolarHBondContact O-N 3.42Å; A3-L7 WeakPolarHBondContact O-CB 3.4Å; A3-L7 PolarHBondContact O-N 3.25Å |
| 4 | G | 83.3 | Confident | 82.1 | Confident | 41 Ų | 41 | 82.5 Ų | 82.5 | 42% | 0.423 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.1 | -42.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | M1 F2 W6 L7 V8 | M1-G4 PolarHBondContact O-N 3.11Å; M1-G4 VanDerWaalsContact O-N 3.1Å; F2-G4 VanDerWaalsContact C-N 3.31Å; F2-G4 PolarHBondContact O-N 3.31Å; G4-W6 VanDerWaalsContact C-N 3.34Å; G4-L7 PolarHBondContact O-N 3.08Å; G4-V8 VanDerWaalsContact O-CG2 3.29Å; G4-V8 WeakPolarHBondContact O-CG2 3.22Å; G4-V8 PolarHBondContact O-N 3.22Å |
| 5 | L | 83.1 | Confident | 82 | Confident | 39 Ų | 39 | 82.7 Ų | 82.7 | 20% | 0.204 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -63 | -42.4 | 174.4 | -65.8 | 165.7 | 0 | 0 | 0 | 111.7 | M1 F2 V8 C9 F16 A24 | M1-L5 HydrophobicContact CG-CD1 4.02Å; M1-L5 WeakPolarHBondContact O-CG 3.47Å; M1-L5 PolarHBondContact O-N 2.8Å; F2-L5 PolarHBondContact O-N 3.1Å; L5-V8 PolarHBondContact O-N 2.88Å; L5-C9 WeakPolarHBondContact O-CB 3.26Å; L5-C9 PolarHBondContact O-N 3.17Å; L5-C9 PolarHBondContact O-SG 2.89Å; L5-F16 HydrophobicContact CB-CE2 3.84Å; L5-A24 HydrophobicContact CD1-CB 3.28Å; L5-A24 HydrophobicContact CD2-CB 3.67Å; L5-A24 HydrophobicContact CG-CB 4.05Å |
| 6 | W | 81.9 | Confident | 81.6 | Confident | 162 Ų | 162 | 83.1 Ų | 83.1 | 61% | 0.614 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.1 | -46.2 | 176.9 | 176.7 | 75.8 | 0 | 0 | 0 | 111.2 | F2 A3 G4 V8 C9 E10 | F2-W6 WeakPolarHBondContact O-CB 3.38Å; F2-W6 PolarHBondContact O-N 3.18Å; A3-W6 PolarHBondContact O-N 3.42Å; G4-W6 VanDerWaalsContact C-N 3.34Å; W6-V8 PolarHBondContact O-N 3.04Å; W6-C9 PolarHBondContact O-N 2.66Å; W6-E10 WeakPolarHBondContact O-CB 3.33Å; W6-E10 PolarHBondContact O-N 3.49Å |
| 7 | L | 85.1 | Confident | 81.5 | Confident | 95 Ų | 95 | 85.6 Ų | 85.6 | 50% | 0.497 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.6 | -46.9 | 174.9 | -172.2 | 161.8 | 0 | 0 | 0 | 111.3 | A3 G4 C9 E10 V11 | A3-L7 WeakPolarHBondContact O-CB 3.4Å; A3-L7 PolarHBondContact O-N 3.25Å; G4-L7 PolarHBondContact O-N 3.08Å; L7-C9 VanDerWaalsContact C-N 3.31Å; L7-C9 PolarHBondContact O-N 2.88Å; L7-E10 PolarHBondContact O-N 2.91Å; L7-V11 HydrophobicContact CD2-CG2 3.85Å; L7-V11 WeakPolarHBondContact O-CB 3.47Å; L7-V11 WeakPolarHBondContact O-CG2 3.4Å; L7-V11 PolarHBondContact O-N 3.04Å |
| 8 | V | 82.7 | Confident | 81.6 | Confident | 87 Ų | 87 | 89.3 Ų | 89.3 | 53% | 0.527 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.3 | -40.6 | 177.5 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | G4 L5 W6 S12 | G4-V8 VanDerWaalsContact O-CG2 3.29Å; G4-V8 WeakPolarHBondContact O-CG2 3.22Å; G4-V8 PolarHBondContact O-N 3.22Å; L5-V8 PolarHBondContact O-N 2.88Å; W6-V8 PolarHBondContact O-N 3.04Å; V8-S12 VanDerWaalsContact O-CB 3.22Å; V8-S12 WeakPolarHBondContact O-CB 3.28Å; V8-S12 PolarHBondContact O-N 3.14Å; V8-S12 PolarHBondContact O-OG 3.13Å |
| 9 | C | 83.4 | Confident | 81.7 | Confident | 7 Ų | 7 | 87.8 Ų | 87.8 | 5% | 0.047 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -65.7 | -42.9 | 176.6 | -67.6 | 0 | 0 | 0 | 0 | 111.7 | L5 W6 L7 S12 G13 L14 | L5-C9 WeakPolarHBondContact O-CB 3.26Å; L5-C9 PolarHBondContact O-N 3.17Å; L5-C9 PolarHBondContact O-SG 2.89Å; W6-C9 PolarHBondContact O-N 2.66Å; L7-C9 VanDerWaalsContact C-N 3.31Å; L7-C9 PolarHBondContact O-N 2.88Å; C9-S12 CarbonylContact O-C 3.55Å; C9-S12 PolarHBondContact O-N 2.67Å; C9-G13 PolarHBondContact O-N 2.96Å; C9-L14 PolarHBondContact O-N 2.86Å |
| 10 | E | 83.5 | Confident | 81.7 | Confident | 125 Ų | 125 | 86 Ų | 86 | 58% | 0.584 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.1 | -46.5 | 178.9 | -168.7 | -106.1 | 169.2 | 0 | 0 | 111.6 | W6 L7 S12 G13 | W6-E10 WeakPolarHBondContact O-CB 3.33Å; W6-E10 PolarHBondContact O-N 3.49Å; L7-E10 PolarHBondContact O-N 2.91Å; E10-S12 VanDerWaalsContact C-N 3.28Å; E10-S12 PolarHBondContact O-N 3.26Å; E10-G13 PolarHBondContact O-N 3.37Å; E10-G13 VanDerWaalsContact O-N 3.13Å |
| 11 | V | 84.4 | Confident | 81.9 | Confident | 109 Ų | 109 | 84.2 Ų | 84.2 | 66% | 0.661 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -63 | -34.7 | 174.5 | 172.7 | 0 | 0 | 0 | 0 | 112 | L7 G13 | L7-V11 HydrophobicContact CD2-CG2 3.85Å; L7-V11 WeakPolarHBondContact O-CB 3.47Å; L7-V11 WeakPolarHBondContact O-CG2 3.4Å; L7-V11 PolarHBondContact O-N 3.04Å; V11-G13 VanDerWaalsContact C-N 3.29Å; V11-G13 PolarHBondContact O-N 2.9Å |
| 12 | S | 81.1 | Confident | 82.6 | Confident | 62 Ų | 62 | 83.2 Ų | 83.2 | 43% | 0.434 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -3.6 | 178.9 | -53 | 0 | 0 | 0 | 0 | 113.5 | V8 C9 E10 L14 | V8-S12 VanDerWaalsContact O-CB 3.22Å; V8-S12 WeakPolarHBondContact O-CB 3.28Å; V8-S12 PolarHBondContact O-N 3.14Å; V8-S12 PolarHBondContact O-OG 3.13Å; C9-S12 CarbonylContact O-C 3.55Å; C9-S12 PolarHBondContact O-N 2.67Å; E10-S12 VanDerWaalsContact C-N 3.28Å; E10-S12 PolarHBondContact O-N 3.26Å; S12-L14 PolarHBondContact O-N 3.48Å |
| 13 | G | 81.8 | Confident | 82.9 | Confident | 71 Ų | 71 | 79.4 Ų | 79.4 | 73% | 0.732 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 20.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114 | C9 E10 V11 | C9-G13 PolarHBondContact O-N 2.96Å; E10-G13 PolarHBondContact O-N 3.37Å; E10-G13 VanDerWaalsContact O-N 3.13Å; V11-G13 VanDerWaalsContact C-N 3.29Å; V11-G13 PolarHBondContact O-N 2.9Å |
| 14 | L | 79.6 | Confident | 83.1 | Confident | 63 Ų | 63 | 76.3 Ų | 76.3 | 33% | 0.33 | 42% | 0.415 | S | S | . | . | trans | -96.9 | 138.2 | -178.6 | -66.2 | 173.4 | 0 | 0 | 0 | 110.4 | C9 S12 F16 | C9-L14 PolarHBondContact O-N 2.86Å; S12-L14 PolarHBondContact O-N 3.48Å; L14-F16 PolarHBondContact O-N 3.26Å | ||
| 15 | S | 79.3 | Confident | 83.5 | Confident | 85 Ų | 85 | 77.6 Ų | 77.6 | 59% | 0.594 | 41% | 0.412 | S | S | * | . | trans | -69 | 132.1 | 170.9 | -66 | 0 | 0 | 0 | 0 | 110.2 | F17 | S15-F17 WeakPolarHBondContact O-CD2 3.21Å; S15-F17 PolarHBondContact O-N 3.06Å | ||
| 16 | F | 76.3 | Confident | 83.8 | Confident | 90 Ų | 90 | 78 Ų | 78 | 40% | 0.395 | 41% | 0.414 | S | S | . | . | trans | -66.4 | 96.4 | 177.1 | -171.4 | -92.2 | 0 | 0 | 0 | 110.5 | L5 L14 L21 | L5-F16 HydrophobicContact CB-CE2 3.84Å; L14-F16 PolarHBondContact O-N 3.26Å; F16-L21 HydrophobicContact CE1-CB 4.46Å; F16-L21 HydrophobicContact CZ-CB 4.22Å; F16-L21 HydrophobicContact CZ-CD1 4.29Å | ||
| 17 | F | 80.1 | Confident | 84.3 | Confident | 126 Ų | 126 | 70.8 Ų | 70.8 | 55% | 0.553 | 39% | 0.388 | S | S | * | . | trans | -102 | 161.2 | 178.5 | -89.4 | -78.4 | 0 | 0 | 0 | 112.8 | S15 M19 H20 L21 | S15-F17 WeakPolarHBondContact O-CD2 3.21Å; S15-F17 PolarHBondContact O-N 3.06Å; F17-M19 PolarHBondContact O-N 3.22Å; F17-M19 VanDerWaalsContact O-N 3.11Å; F17-H20 PolarHBondContact O-N 3.41Å; F17-H20 VanDerWaalsContact O-N 3.11Å; F17-L21 PolarHBondContact O-N 2.99Å | ||
| 18 | Y | 82.5 | Confident | 84.6 | Confident | 151 Ų | 151 | 68.9 Ų | 68.9 | 59% | 0.592 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -55.9 | -29.1 | 178 | 75.8 | -89.9 | 0 | 0 | 0 | 113.1 | L21 L22 | Y18-L21 PolarHBondContact O-N 3.08Å; Y18-L22 VanDerWaalsContact O-CB 3.28Å; Y18-L22 WeakPolarHBondContact O-CB 3.32Å; Y18-L22 PolarHBondContact O-N 3.2Å |
| 19 | M | 83.7 | Confident | 85.2 | Confident | 61 Ų | 61 | 67.9 Ų | 67.9 | 30% | 0.3 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.1 | -46.6 | 177 | -66 | 173.3 | 169.4 | 0 | 0 | 111.9 | F17 L21 L22 V23 D76 F77 | F17-M19 PolarHBondContact O-N 3.22Å; F17-M19 VanDerWaalsContact O-N 3.11Å; M19-L21 VanDerWaalsContact C-N 3.31Å; M19-L21 PolarHBondContact O-N 3.02Å; M19-L22 PolarHBondContact O-N 3.44Å; M19-V23 WeakPolarHBondContact O-CG2 3.27Å; M19-V23 PolarHBondContact O-N 2.93Å; M19-D76 HydrophobicContact CE-CB 4.34Å; M19-D76 WeakPolarHBondContact CE-O 3.29Å; M19-F77 HydrophobicContact CB-CD1 4.39Å; M19-F77 HydrophobicContact CB-CE1 4.46Å |
| 20 | H | 81.9 | Confident | 85.7 | Confident | 52 Ų | 52 | 68.2 Ų | 68.2 | 24% | 0.241 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 177.2 | -60.1 | 88.6 | 0 | 0 | 0 | 111.2 | F17 L22 A24 | F17-H20 PolarHBondContact O-N 3.41Å; F17-H20 VanDerWaalsContact O-N 3.11Å; H20-L22 VanDerWaalsContact C-N 3.35Å; H20-A24 WeakPolarHBondContact O-CB 3.38Å; H20-A24 PolarHBondContact O-N 2.87Å |
| 21 | L | 85.9 | Confident | 86.1 | Confident | 48 Ų | 48 | 64.4 Ų | 64.4 | 25% | 0.251 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 175.8 | -179.9 | 67 | 0 | 0 | 0 | 111.2 | F2 F16 F17 Y18 M19 A24 L25 | F2-L21 HydrophobicContact CD1-CD1 3.82Å; F2-L21 HydrophobicContact CE1-CD1 3.36Å; F2-L21 HydrophobicContact CZ-CD1 4.36Å; F16-L21 HydrophobicContact CE1-CB 4.46Å; F16-L21 HydrophobicContact CZ-CB 4.22Å; F16-L21 HydrophobicContact CZ-CD1 4.29Å; F17-L21 PolarHBondContact O-N 2.99Å; Y18-L21 PolarHBondContact O-N 3.08Å; M19-L21 VanDerWaalsContact C-N 3.31Å; M19-L21 PolarHBondContact O-N 3.02Å; L21-A24 WeakPolarHBondContact O-CB 3.29Å; L21-A24 PolarHBondContact O-N 3.4Å; L21-L25 HydrophobicContact CD1-CD1 4.42Å; L21-L25 HydrophobicContact CD1-CG 4.44Å; L21-L25 HydrophobicContact CG-CD1 4.01Å; L21-L25 HydrophobicContact CG-CG 4.44Å; L21-L25 VanDerWaalsContact O-CG 3.29Å; L21-L25 WeakPolarHBondContact O-CG 3.39Å; L21-L25 PolarHBondContact O-N 2.91Å |
| 22 | L | 88.5 | Confident | 86.5 | Confident | 73 Ų | 73 | 64.8 Ų | 64.8 | 38% | 0.382 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.5 | -44.3 | -179.6 | -176.3 | 58.3 | 0 | 0 | 0 | 111.5 | Y18 M19 H20 A24 L25 I26 F77 | Y18-L22 VanDerWaalsContact O-CB 3.28Å; Y18-L22 WeakPolarHBondContact O-CB 3.32Å; Y18-L22 PolarHBondContact O-N 3.2Å; M19-L22 PolarHBondContact O-N 3.44Å; H20-L22 VanDerWaalsContact C-N 3.35Å; L22-A24 VanDerWaalsContact C-N 3.29Å; L22-A24 PolarHBondContact O-N 3.43Å; L22-L25 PolarHBondContact O-N 2.94Å; L22-I26 HydrophobicContact CD1-CD1 4.35Å; L22-I26 HydrophobicContact CD1-CG1 4.47Å; L22-I26 HydrophobicContact CG-CD1 4.06Å; L22-I26 VanDerWaalsContact O-CG1 3.27Å; L22-I26 WeakPolarHBondContact O-CG1 3.49Å; L22-I26 PolarHBondContact O-N 3.11Å; L22-F77 HydrophobicContact CB-CE1 4.39Å; L22-F77 HydrophobicContact CD2-CE1 4.01Å; L22-F77 HydrophobicContact CD2-CZ 3.58Å; L22-F77 HydrophobicContact CG-CE1 4.29Å; L22-F77 HydrophobicContact CG-CZ 4.15Å |
| 23 | V | 87.6 | Confident | 87 | Confident | 45 Ų | 45 | 67.9 Ų | 67.9 | 27% | 0.273 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.2 | -42.5 | 174 | 173.4 | 0 | 0 | 0 | 0 | 111 | M19 I26 T27 V71 F77 | M19-V23 WeakPolarHBondContact O-CG2 3.27Å; M19-V23 PolarHBondContact O-N 2.93Å; V23-I26 PolarHBondContact O-N 3.11Å; V23-T27 WeakPolarHBondContact O-CB 3.33Å; V23-T27 PolarHBondContact O-N 3.41Å; V23-T27 PolarHBondContact O-OG1 2.95Å; V23-V71 HydrophobicContact CG2-CG1 4.3Å; V23-V71 HydrophobicContact CG2-CG2 4.26Å; V23-F77 HydrophobicContact CG2-CD1 3.53Å; V23-F77 HydrophobicContact CG2-CE1 3.73Å |
| 24 | A | 88.6 | Confident | 87.4 | Confident | 11 Ų | 11 | 67.7 Ų | 67.7 | 9% | 0.091 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.4 | -40.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | M1 L5 H20 L21 L22 T27 L28 | M1-A24 HydrophobicContact SD-CB 4.2Å; L5-A24 HydrophobicContact CD1-CB 3.28Å; L5-A24 HydrophobicContact CD2-CB 3.67Å; L5-A24 HydrophobicContact CG-CB 4.05Å; H20-A24 WeakPolarHBondContact O-CB 3.38Å; H20-A24 PolarHBondContact O-N 2.87Å; L21-A24 WeakPolarHBondContact O-CB 3.29Å; L21-A24 PolarHBondContact O-N 3.4Å; L22-A24 VanDerWaalsContact C-N 3.29Å; L22-A24 PolarHBondContact O-N 3.43Å; A24-T27 PolarHBondContact O-N 2.92Å; A24-L28 WeakPolarHBondContact O-CB 3.32Å; A24-L28 PolarHBondContact O-N 2.94Å |
| 25 | L | 92.3 | Very high | 87.7 | Confident | 68 Ų | 68 | 64.8 Ų | 64.8 | 36% | 0.356 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.9 | -42.9 | 175.8 | -71.4 | 170.8 | 0 | 0 | 0 | 111.7 | M1 L21 L22 T27 L28 V29 | M1-L25 HydrophobicContact CE-CD2 3.88Å; M1-L25 HydrophobicContact CE-CG 4.47Å; L21-L25 HydrophobicContact CD1-CD1 4.42Å; L21-L25 HydrophobicContact CD1-CG 4.44Å; L21-L25 HydrophobicContact CG-CD1 4.01Å; L21-L25 HydrophobicContact CG-CG 4.44Å; L21-L25 VanDerWaalsContact O-CG 3.29Å; L21-L25 WeakPolarHBondContact O-CG 3.39Å; L21-L25 PolarHBondContact O-N 2.91Å; L22-L25 PolarHBondContact O-N 2.94Å; L25-T27 VanDerWaalsContact C-N 3.32Å; L25-T27 PolarHBondContact O-N 3.49Å; L25-L28 WeakPolarHBondContact O-CB 3.43Å; L25-L28 PolarHBondContact O-N 3.46Å; L25-V29 WeakPolarHBondContact O-CG2 3.39Å; L25-V29 PolarHBondContact O-N 3.24Å |
| 26 | I | 90.5 | Very high | 87.9 | Confident | 48 Ų | 48 | 62.6 Ų | 62.6 | 25% | 0.246 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.7 | -48 | 174.3 | -69.2 | 164.4 | 0 | 0 | 0 | 109.8 | L22 V23 L28 V29 V30 L70 V71 | L22-I26 HydrophobicContact CD1-CD1 4.35Å; L22-I26 HydrophobicContact CD1-CG1 4.47Å; L22-I26 HydrophobicContact CG-CD1 4.06Å; L22-I26 VanDerWaalsContact O-CG1 3.27Å; L22-I26 WeakPolarHBondContact O-CG1 3.49Å; L22-I26 PolarHBondContact O-N 3.11Å; V23-I26 PolarHBondContact O-N 3.11Å; I26-L28 VanDerWaalsContact C-N 3.28Å; I26-L28 PolarHBondContact O-N 3.23Å; I26-V29 PolarHBondContact O-N 3.34Å; I26-V30 HydrophobicContact CG2-CG2 4.46Å; I26-V30 WeakPolarHBondContact O-CG2 3.42Å; I26-V30 PolarHBondContact O-N 3.11Å; I26-L70 HydrophobicContact CG2-CD1 4.41Å; I26-V71 HydrophobicContact CD1-CG2 4.35Å |
| 27 | T | 91.4 | Very high | 88.2 | Confident | 10 Ų | 10 | 64.2 Ų | 64.2 | 6% | 0.061 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.4 | -39 | 178.9 | -51.8 | 0 | 0 | 0 | 0 | 111.4 | V23 A24 L25 F31 W60 V64 S67 | V23-T27 WeakPolarHBondContact O-CB 3.33Å; V23-T27 PolarHBondContact O-N 3.41Å; V23-T27 PolarHBondContact O-OG1 2.95Å; A24-T27 PolarHBondContact O-N 2.92Å; L25-T27 VanDerWaalsContact C-N 3.32Å; L25-T27 PolarHBondContact O-N 3.49Å; T27-F31 VanDerWaalsContact O-CB 3.3Å; T27-F31 WeakPolarHBondContact O-CB 3.2Å; T27-F31 PolarHBondContact O-N 3.39Å; T27-W60 HydrophobicContact CG2-CH2 4.31Å; T27-W60 HydrophobicContact CG2-CZ3 4.4Å; T27-V64 HydrophobicContact CG2-CG2 3.88Å; T27-S67 WeakPolarHBondContact OG1-CB 3.31Å; T27-S67 PolarHBondContact OG1-OG 3Å |
| 28 | L | 92.6 | Very high | 88.3 | Confident | 55 Ų | 55 | 60.7 Ų | 60.7 | 29% | 0.288 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 174.8 | -175.7 | 71.2 | 0 | 0 | 0 | 112 | M1 A24 L25 I26 F31 Q32 | M1-L28 HydrophobicContact CE-CD2 4.46Å; M1-L28 HydrophobicContact SD-CB 4.16Å; M1-L28 HydrophobicContact SD-CD2 4.05Å; M1-L28 HydrophobicContact SD-CG 4.48Å; A24-L28 WeakPolarHBondContact O-CB 3.32Å; A24-L28 PolarHBondContact O-N 2.94Å; L25-L28 WeakPolarHBondContact O-CB 3.43Å; L25-L28 PolarHBondContact O-N 3.46Å; I26-L28 VanDerWaalsContact C-N 3.28Å; I26-L28 PolarHBondContact O-N 3.23Å; L28-F31 WeakPolarHBondContact O-CB 3.35Å; L28-F31 PolarHBondContact O-N 3.04Å; L28-Q32 WeakPolarHBondContact O-CB 3.43Å; L28-Q32 VanDerWaalsContact O-CG 3.3Å; L28-Q32 WeakPolarHBondContact O-CG 3.29Å; L28-Q32 PolarHBondContact O-N 2.92Å |
| 29 | V | 94.8 | Very high | 88.3 | Confident | 66 Ų | 66 | 57 Ų | 57 | 40% | 0.4 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63 | -46.6 | 177.9 | 169.7 | 0 | 0 | 0 | 0 | 110.5 | L25 I26 F31 Q32 M33 | L25-V29 WeakPolarHBondContact O-CG2 3.39Å; L25-V29 PolarHBondContact O-N 3.24Å; I26-V29 PolarHBondContact O-N 3.34Å; V29-F31 VanDerWaalsContact C-N 3.3Å; V29-F31 PolarHBondContact O-N 3.38Å; V29-Q32 PolarHBondContact O-N 3.1Å; V29-M33 HydrophobicContact CG1-CE 3.7Å; V29-M33 HydrophobicContact CG1-SD 4.17Å; V29-M33 WeakPolarHBondContact O-CG 3.44Å; V29-M33 PolarHBondContact O-N 3.36Å |
| 30 | V | 93 | Very high | 88.1 | Confident | 14 Ų | 14 | 61.5 Ų | 61.5 | 9% | 0.085 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.4 | -44.2 | 175.4 | 174.7 | 0 | 0 | 0 | 0 | 110.5 | I26 Q32 M33 L34 F66 L70 | I26-V30 HydrophobicContact CG2-CG2 4.46Å; I26-V30 WeakPolarHBondContact O-CG2 3.42Å; I26-V30 PolarHBondContact O-N 3.11Å; V30-Q32 VanDerWaalsContact C-N 3.35Å; V30-Q32 PolarHBondContact O-N 2.88Å; V30-M33 PolarHBondContact O-N 2.91Å; V30-L34 HydrophobicContact CG1-CD1 3.86Å; V30-L34 HydrophobicContact CG1-CG 4.31Å; V30-L34 WeakPolarHBondContact O-CG 3.46Å; V30-L34 PolarHBondContact O-N 3.02Å; V30-F66 HydrophobicContact CG1-CB 4.2Å; V30-F66 HydrophobicContact CG1-CD1 3.75Å; V30-F66 HydrophobicContact CG1-CG 4.34Å; V30-F66 HydrophobicContact CG2-CD1 3.96Å; V30-F66 HydrophobicContact CG2-CE1 4.46Å; V30-L70 HydrophobicContact CG2-CD1 4.32Å |
| 31 | F | 93 | Very high | 87.9 | Confident | 44 Ų | 44 | 65.3 Ų | 65.3 | 19% | 0.193 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.4 | -41 | 176.5 | -179.2 | -98.2 | 0 | 0 | 0 | 112.9 | T27 L28 V29 G35 L56 N59 W60 S63 | T27-F31 VanDerWaalsContact O-CB 3.3Å; T27-F31 WeakPolarHBondContact O-CB 3.2Å; T27-F31 PolarHBondContact O-N 3.39Å; L28-F31 WeakPolarHBondContact O-CB 3.35Å; L28-F31 PolarHBondContact O-N 3.04Å; V29-F31 VanDerWaalsContact C-N 3.3Å; V29-F31 PolarHBondContact O-N 3.38Å; F31-G35 VanDerWaalsContact O-CA 3.23Å; F31-G35 WeakPolarHBondContact O-CA 3.28Å; F31-G35 PolarHBondContact O-N 3.43Å; F31-L56 HydrophobicContact CZ-CD2 3.94Å; F31-N59 HydrophobicContact CD2-CB 4.1Å; F31-N59 HydrophobicContact CE2-CB 3.72Å; F31-W60 HydrophobicContact CD2-CB 4.28Å; F31-W60 AromaticContact CD2-CE3 3.94Å; F31-W60 HydrophobicContact CD2-CE3 3.94Å; F31-W60 HydrophobicContact CE2-CB 4.02Å; F31-W60 HydrophobicContact CE2-CE3 4.33Å; F31-W60 HydrophobicContact CG-CE3 4.18Å; F31-S63 WeakPolarHBondContact CA-OG 3.35Å; F31-S63 WeakPolarHBondContact CB-OG 3.43Å; F31-S63 PolarHBondContact N-OG 2.82Å |
| 32 | Q | 91.5 | Very high | 87.6 | Confident | 117 Ų | 117 | 64.6 Ų | 64.6 | 55% | 0.547 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.6 | -36 | 176.6 | -74 | 174.5 | -14.8 | 0 | 0 | 112.3 | L28 V29 V30 G36 | L28-Q32 WeakPolarHBondContact O-CB 3.43Å; L28-Q32 VanDerWaalsContact O-CG 3.3Å; L28-Q32 WeakPolarHBondContact O-CG 3.29Å; L28-Q32 PolarHBondContact O-N 2.92Å; V29-Q32 PolarHBondContact O-N 3.1Å; V30-Q32 VanDerWaalsContact C-N 3.35Å; V30-Q32 PolarHBondContact O-N 2.88Å; Q32-G36 VanDerWaalsContact O-CA 3.31Å; Q32-G36 WeakPolarHBondContact O-CA 3.29Å; Q32-G36 PolarHBondContact O-N 3.06Å |
| 33 | M | 92.2 | Very high | 87.3 | Confident | 128 Ų | 128 | 65.5 Ų | 65.5 | 63% | 0.631 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -69.3 | -49.8 | 177 | -70.8 | -179.3 | 175.9 | 0 | 0 | 111.5 | V29 V30 I37 | V29-M33 HydrophobicContact CG1-CE 3.7Å; V29-M33 HydrophobicContact CG1-SD 4.17Å; V29-M33 WeakPolarHBondContact O-CG 3.44Å; V29-M33 PolarHBondContact O-N 3.36Å; V30-M33 PolarHBondContact O-N 2.91Å; M33-I37 WeakPolarHBondContact O-CD1 3.38Å; M33-I37 WeakPolarHBondContact O-CG1 3.46Å; M33-I37 PolarHBondContact O-N 2.74Å |
| 34 | L | 89.1 | Confident | 86.9 | Confident | 66 Ų | 66 | 73.5 Ų | 73.5 | 35% | 0.346 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.8 | -49.3 | 177.7 | -66.4 | 178 | 0 | 0 | 0 | 111.1 | V30 I37 T38 L62 | V30-L34 HydrophobicContact CG1-CD1 3.86Å; V30-L34 HydrophobicContact CG1-CG 4.31Å; V30-L34 WeakPolarHBondContact O-CG 3.46Å; V30-L34 PolarHBondContact O-N 3.02Å; L34-I37 PolarHBondContact O-N 3.43Å; L34-T38 PolarHBondContact O-N 2.85Å; L34-T38 PolarHBondContact O-OG1 2.83Å; L34-L62 HydrophobicContact CD1-CB 4.37Å |
| 35 | G | 86 | Confident | 86.6 | Confident | 3 Ų | 3 | 80.8 Ų | 80.8 | 3% | 0.031 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.6 | -47.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F31 I37 T38 D39 | F31-G35 VanDerWaalsContact O-CA 3.23Å; F31-G35 WeakPolarHBondContact O-CA 3.28Å; F31-G35 PolarHBondContact O-N 3.43Å; G35-I37 VanDerWaalsContact C-N 3.32Å; G35-I37 PolarHBondContact O-N 2.93Å; G35-T38 WeakPolarHBondContact CA-OG1 3.35Å; G35-T38 CarbonylContact O-C 3.57Å; G35-T38 PolarHBondContact O-N 3.22Å; G35-T38 PolarHBondContact O-OG1 3.33Å; G35-D39 WeakPolarHBondContact O-CB 3.5Å; G35-D39 PolarHBondContact O-N 2.82Å |
| 36 | G | 85.2 | Confident | 86.1 | Confident | 38 Ų | 38 | 80 Ų | 80 | 39% | 0.392 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.7 | -38.7 | -180 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q32 F40 | Q32-G36 VanDerWaalsContact O-CA 3.31Å; Q32-G36 WeakPolarHBondContact O-CA 3.29Å; Q32-G36 PolarHBondContact O-N 3.06Å; G36-F40 VanDerWaalsContact O-CB 3.29Å; G36-F40 WeakPolarHBondContact O-CB 3.28Å; G36-F40 PolarHBondContact O-N 2.95Å |
| 37 | I | 81.9 | Confident | 85.8 | Confident | 125 Ų | 125 | 80.4 Ų | 80.4 | 64% | 0.641 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -65.2 | -45.8 | 174 | -66.1 | 167.4 | 0 | 0 | 0 | 110.3 | M33 L34 G35 Y41 | M33-I37 WeakPolarHBondContact O-CD1 3.38Å; M33-I37 WeakPolarHBondContact O-CG1 3.46Å; M33-I37 PolarHBondContact O-N 2.74Å; L34-I37 PolarHBondContact O-N 3.43Å; G35-I37 VanDerWaalsContact C-N 3.32Å; G35-I37 PolarHBondContact O-N 2.93Å; I37-Y41 PolarHBondContact O-N 3.38Å |
| 38 | T | 82.4 | Confident | 85.6 | Confident | 51 Ų | 51 | 90.1 Ų | 90.1 | 31% | 0.313 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.2 | -40.4 | 179.9 | 56.3 | 0 | 0 | 0 | 0 | 112.6 | L34 G35 Y41 R42 N59 | L34-T38 PolarHBondContact O-N 2.85Å; L34-T38 PolarHBondContact O-OG1 2.83Å; G35-T38 WeakPolarHBondContact CA-OG1 3.35Å; G35-T38 CarbonylContact O-C 3.57Å; G35-T38 PolarHBondContact O-N 3.22Å; G35-T38 PolarHBondContact O-OG1 3.33Å; T38-Y41 PolarHBondContact O-N 2.98Å; T38-R42 VanDerWaalsContact O-CB 3.29Å; T38-R42 WeakPolarHBondContact O-CB 3.3Å; T38-R42 PolarHBondContact O-N 3.4Å; T38-N59 PolarHBondContact OG1-ND2 3.06Å |
| 39 | D | 82.3 | Confident | 85 | Confident | 73 Ų | 73 | 90.3 Ų | 90.3 | 39% | 0.39 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -70.2 | -37.4 | 179.9 | -79.4 | -22.4 | 0 | 0 | 0 | 111.3 | G35 Y41 R42 S43 | G35-D39 WeakPolarHBondContact O-CB 3.5Å; G35-D39 PolarHBondContact O-N 2.82Å; D39-Y41 PolarHBondContact O-N 3.45Å; D39-R42 PolarHBondContact O-N 2.63Å; D39-S43 VanDerWaalsContact O-CB 3.24Å; D39-S43 WeakPolarHBondContact O-CB 3.27Å; D39-S43 PolarHBondContact O-N 3.26Å; D39-S43 PolarHBondContact O-OG 2.89Å |
| 40 | F | 80.1 | Confident | 84.7 | Confident | 156 Ų | 156 | 90.8 Ų | 90.8 | 68% | 0.684 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -56.4 | -51.6 | 172.7 | -179.3 | -101.4 | 0 | 0 | 0 | 111.1 | G36 R42 S43 | G36-F40 VanDerWaalsContact O-CB 3.29Å; G36-F40 WeakPolarHBondContact O-CB 3.28Å; G36-F40 PolarHBondContact O-N 2.95Å; F40-R42 PolarHBondContact O-N 3.26Å; F40-S43 PolarHBondContact O-N 2.84Å; F40-S43 PolarHBondContact O-OG 3.47Å |
| 41 | Y | 77 | Confident | 84.4 | Confident | 132 Ų | 132 | 93.1 Ų | 93.1 | 52% | 0.518 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.1 | -35.9 | 179.1 | -177.6 | -120.9 | 0 | 0 | 0 | 112.7 | I37 T38 D39 R45 | I37-Y41 PolarHBondContact O-N 3.38Å; T38-Y41 PolarHBondContact O-N 2.98Å; D39-Y41 PolarHBondContact O-N 3.45Å; Y41-R45 PolarHBondContact OH-NH2 2.92Å |
| 42 | R | 80.2 | Confident | 84.2 | Confident | 34 Ų | 34 | 94 Ų | 94 | 13% | 0.128 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -83.5 | -34.7 | -174.3 | -149.6 | -175 | 63.4 | 66.3 | 12.7 | 112.9 | T38 D39 F40 W44 R45 G46 V47 E52 | T38-R42 VanDerWaalsContact O-CB 3.29Å; T38-R42 WeakPolarHBondContact O-CB 3.3Å; T38-R42 PolarHBondContact O-N 3.4Å; D39-R42 PolarHBondContact O-N 2.63Å; F40-R42 PolarHBondContact O-N 3.26Å; R42-W44 PolarHBondContact O-N 3.34Å; R42-R45 PolarHBondContact O-N 3.16Å; R42-R45 VanDerWaalsContact O-N 3.14Å; R42-G46 PolarHBondContact O-N 3.37Å; R42-V47 HydrophobicContact CG-CB 3.62Å; R42-V47 HydrophobicContact CG-CG1 4.22Å; R42-V47 HydrophobicContact CG-CG2 3.6Å; R42-V47 PolarHBondContact NH1-O 2.89Å; R42-E52 IonicContact CZ-OE1 3.03Å; R42-E52 IonicContact CZ-OE2 3.95Å; R42-E52 IonicContact NH1-OE1 2.62Å; R42-E52 PolarHBondContact NH1-OE1 2.93Å; R42-E52 IonicContact NH2-OE1 2.72Å; R42-E52 PolarHBondContact NH2-OE1 3.3Å; R42-E52 IonicContact NH2-OE2 3.23Å; R42-E52 PolarHBondContact NH2-OE2 3.39Å |
| 43 | S | 82.6 | Confident | 83.9 | Confident | 91 Ų | 91 | 95 Ų | 95 | 64% | 0.636 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -57.7 | -30.9 | 173.9 | 70.5 | 0 | 0 | 0 | 0 | 111.9 | D39 F40 | D39-S43 VanDerWaalsContact O-CB 3.24Å; D39-S43 WeakPolarHBondContact O-CB 3.27Å; D39-S43 PolarHBondContact O-N 3.26Å; D39-S43 PolarHBondContact O-OG 2.89Å; F40-S43 PolarHBondContact O-N 2.84Å; F40-S43 PolarHBondContact O-OG 3.47Å |
| 44 | W | 79 | Confident | 83.9 | Confident | 213 Ų | 213 | 91.7 Ų | 91.7 | 81% | 0.807 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -78.2 | -35 | 177.3 | -174.1 | 19.7 | 0 | 0 | 0 | 113.5 | R42 | R42-W44 PolarHBondContact O-N 3.34Å |
| 45 | R | 82.3 | Confident | 83.8 | Confident | 164 Ų | 164 | 91.5 Ų | 91.5 | 62% | 0.619 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -92.2 | -23.9 | -179.6 | -92 | -162.2 | -63.4 | 158.3 | 4.7 | 115.3 | Y41 R42 | Y41-R45 PolarHBondContact OH-NH2 2.92Å; R42-R45 PolarHBondContact O-N 3.16Å; R42-R45 VanDerWaalsContact O-N 3.14Å |
| 46 | G | 80.4 | Confident | 84 | Confident | 53 Ų | 53 | 94.4 Ų | 94.4 | 55% | 0.546 | 49% | 0.493 | S | S | . | . | trans | 68.3 | 132.1 | -167.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | R42 | R42-G46 PolarHBondContact O-N 3.37Š| ||
| 47 | V | 84.5 | Confident | 84.2 | Confident | 55 Ų | 55 | 98.3 Ų | 98.3 | 33% | 0.333 | 50% | 0.504 | S | S | . | . | trans | -144.3 | 153.3 | 179.9 | 154.4 | 0 | 0 | 0 | 0 | 108.6 | R42 T51 | R42-V47 HydrophobicContact CG-CB 3.62Å; R42-V47 HydrophobicContact CG-CG1 4.22Å; R42-V47 HydrophobicContact CG-CG2 3.6Å; R42-V47 PolarHBondContact NH1-O 2.89Å; V47-T51 WeakPolarHBondContact CG1-OG1 3.1Å | ||
| 48 | R | 86.7 | Confident | 84.7 | Confident | 214 Ų | 214 | 97.2 Ų | 97.2 | 81% | 0.808 | 50% | 0.497 | S | S | * | . | trans | -65.6 | 145.2 | -176.1 | -59.4 | 179.4 | 179.8 | -165.8 | -0.8 | 111.3 | A50 T51 E52 | R48-A50 VanDerWaalsContact C-N 3.29Å; R48-A50 PolarHBondContact O-N 3.22Å; R48-T51 PolarHBondContact N-OG1 3.47Å; R48-T51 PolarHBondContact O-N 2.91Å; R48-T51 PolarHBondContact O-OG1 2.93Å; R48-E52 WeakPolarHBondContact O-CG 3.42Å; R48-E52 PolarHBondContact O-N 3.17Å; R48-E52 VanDerWaalsContact O-N 3.14Å | ||
| 49 | A | 81.4 | Confident | 85.1 | Confident | 59 Ų | 59 | 95.3 Ų | 95.3 | 49% | 0.488 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -52.8 | -41 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | T51 E52 F53 | A49-T51 VanDerWaalsContact C-N 3.32Å; A49-T51 PolarHBondContact O-N 3.4Å; A49-E52 WeakPolarHBondContact O-CA 3.43Å; A49-E52 VanDerWaalsContact O-CB 3.29Å; A49-E52 WeakPolarHBondContact O-CB 3.31Å; A49-E52 PolarHBondContact O-N 2.88Å; A49-F53 HydrophobicContact CB-CE2 4.39Å; A49-F53 WeakPolarHBondContact O-CD2 3.3Å; A49-F53 PolarHBondContact O-N 3Å |
| 50 | A | 88.5 | Confident | 85.6 | Confident | 76 Ų | 76 | 97.6 Ų | 97.6 | 63% | 0.628 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -59.5 | -41.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R48 E52 F53 A54 | R48-A50 VanDerWaalsContact C-N 3.29Å; R48-A50 PolarHBondContact O-N 3.22Å; A50-E52 VanDerWaalsContact C-N 3.31Å; A50-F53 PolarHBondContact O-N 3.41Å; A50-A54 PolarHBondContact O-N 3.25Å |
| 51 | T | 86.8 | Confident | 86.1 | Confident | 63 Ų | 63 | 93.6 Ų | 93.6 | 39% | 0.387 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.5 | -28.8 | 174.3 | 34.4 | 0 | 0 | 0 | 0 | 112.2 | V47 R48 A49 L55 | V47-T51 WeakPolarHBondContact CG1-OG1 3.1Å; R48-T51 PolarHBondContact N-OG1 3.47Å; R48-T51 PolarHBondContact O-N 2.91Å; R48-T51 PolarHBondContact O-OG1 2.93Å; A49-T51 VanDerWaalsContact C-N 3.32Å; A49-T51 PolarHBondContact O-N 3.4Å; T51-L55 WeakPolarHBondContact O-CB 3.33Å; T51-L55 WeakPolarHBondContact O-CD1 3.49Å; T51-L55 WeakPolarHBondContact O-CG 3.45Å; T51-L55 PolarHBondContact O-N 2.88Å; T51-L55 VanDerWaalsContact O-N 3.09Å |
| 52 | E | 87.6 | Confident | 86.9 | Confident | 64 Ų | 64 | 91.1 Ų | 91.1 | 30% | 0.299 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.7 | -48.7 | 172.3 | -49.3 | -169 | 175.4 | 0 | 0 | 111.3 | R42 R48 A49 A50 A54 L55 L56 | R42-E52 IonicContact CZ-OE1 3.03Å; R42-E52 IonicContact CZ-OE2 3.95Å; R42-E52 IonicContact NH1-OE1 2.62Å; R42-E52 PolarHBondContact NH1-OE1 2.93Å; R42-E52 IonicContact NH2-OE1 2.72Å; R42-E52 PolarHBondContact NH2-OE1 3.3Å; R42-E52 IonicContact NH2-OE2 3.23Å; R42-E52 PolarHBondContact NH2-OE2 3.39Å; R48-E52 WeakPolarHBondContact O-CG 3.42Å; R48-E52 PolarHBondContact O-N 3.17Å; R48-E52 VanDerWaalsContact O-N 3.14Å; A49-E52 WeakPolarHBondContact O-CA 3.43Å; A49-E52 VanDerWaalsContact O-CB 3.29Å; A49-E52 WeakPolarHBondContact O-CB 3.31Å; A49-E52 PolarHBondContact O-N 2.88Å; A50-E52 VanDerWaalsContact C-N 3.31Å; E52-A54 VanDerWaalsContact C-N 3.32Å; E52-A54 PolarHBondContact O-N 2.98Å; E52-L55 PolarHBondContact O-N 3.1Å; E52-L55 VanDerWaalsContact O-N 3.17Å; E52-L56 VanDerWaalsContact O-CG 3.31Å; E52-L56 WeakPolarHBondContact O-CG 3.28Å; E52-L56 PolarHBondContact O-N 3.36Å |
| 53 | F | 86.1 | Confident | 87.5 | Confident | 138 Ų | 138 | 89.5 Ų | 89.5 | 61% | 0.605 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -60.7 | -41.5 | 179.4 | -71.9 | -63.6 | 0 | 0 | 0 | 112.4 | A49 A50 L56 L57 | A49-F53 HydrophobicContact CB-CE2 4.39Å; A49-F53 WeakPolarHBondContact O-CD2 3.3Å; A49-F53 PolarHBondContact O-N 3Å; A50-F53 PolarHBondContact O-N 3.41Å; F53-L56 PolarHBondContact O-N 2.75Å; F53-L57 PolarHBondContact O-N 2.92Å |
| 54 | A | 90.7 | Very high | 87.9 | Confident | 58 Ų | 58 | 87.9 Ų | 87.9 | 48% | 0.479 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | A50 E52 L57 Q58 | A50-A54 PolarHBondContact O-N 3.25Å; E52-A54 VanDerWaalsContact C-N 3.32Å; E52-A54 PolarHBondContact O-N 2.98Å; A54-L57 PolarHBondContact O-N 3.35Å; A54-Q58 WeakPolarHBondContact O-CB 3.4Å; A54-Q58 PolarHBondContact O-N 3.45Å |
| 55 | L | 88 | Confident | 88.4 | Confident | 61 Ų | 61 | 83.4 Ų | 83.4 | 32% | 0.319 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -69 | -38.3 | 177.9 | -71.1 | 169.7 | 0 | 0 | 0 | 112.4 | T51 E52 L57 Q58 N59 | T51-L55 WeakPolarHBondContact O-CB 3.33Å; T51-L55 WeakPolarHBondContact O-CD1 3.49Å; T51-L55 WeakPolarHBondContact O-CG 3.45Å; T51-L55 PolarHBondContact O-N 2.88Å; T51-L55 VanDerWaalsContact O-N 3.09Å; E52-L55 PolarHBondContact O-N 3.1Å; E52-L55 VanDerWaalsContact O-N 3.17Å; L55-L57 VanDerWaalsContact C-N 3.34Å; L55-Q58 PolarHBondContact O-N 2.91Å; L55-N59 WeakPolarHBondContact O-CB 3.34Å; L55-N59 VanDerWaalsContact O-CG 3.29Å; L55-N59 PolarHBondContact O-N 2.84Å |
| 56 | L | 89.2 | Confident | 88.8 | Confident | 65 Ų | 65 | 81.4 Ų | 81.4 | 34% | 0.34 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 174.8 | -71.9 | 170.8 | 0 | 0 | 0 | 111.1 | F31 E52 F53 N59 W60 | F31-L56 HydrophobicContact CZ-CD2 3.94Å; E52-L56 VanDerWaalsContact O-CG 3.31Å; E52-L56 WeakPolarHBondContact O-CG 3.28Å; E52-L56 PolarHBondContact O-N 3.36Å; F53-L56 PolarHBondContact O-N 2.75Å; L56-N59 PolarHBondContact O-N 3.42Å; L56-W60 VanDerWaalsContact O-CB 3.28Å; L56-W60 WeakPolarHBondContact O-CB 3.43Å; L56-W60 PolarHBondContact O-N 3.29Å |
| 57 | L | 89.9 | Confident | 89.2 | Confident | 119 Ų | 119 | 79 Ų | 79 | 62% | 0.623 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -62.4 | -42.6 | 173.9 | -79.3 | 170.3 | 0 | 0 | 0 | 111.7 | F53 A54 L55 W60 T61 | F53-L57 PolarHBondContact O-N 2.92Å; A54-L57 PolarHBondContact O-N 3.35Å; L55-L57 VanDerWaalsContact C-N 3.34Å; L57-W60 PolarHBondContact O-N 3.25Å; L57-T61 WeakPolarHBondContact O-CG2 3.23Å; L57-T61 PolarHBondContact O-N 3.43Å; L57-T61 PolarHBondContact O-OG1 3.17Å |
| 58 | Q | 92.6 | Very high | 89.3 | Confident | 103 Ų | 103 | 79.1 Ų | 79.1 | 48% | 0.481 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.6 | -45.6 | 176.2 | -175.8 | -179.7 | 9.5 | 0 | 0 | 112.2 | A54 L55 W60 T61 L62 | A54-Q58 WeakPolarHBondContact O-CB 3.4Å; A54-Q58 PolarHBondContact O-N 3.45Å; L55-Q58 PolarHBondContact O-N 2.91Å; Q58-W60 VanDerWaalsContact C-N 3.26Å; Q58-W60 PolarHBondContact O-N 3.21Å; Q58-T61 PolarHBondContact O-N 2.78Å; Q58-T61 PolarHBondContact O-OG1 3.44Å; Q58-L62 HydrophobicContact CG-CD1 4.14Å; Q58-L62 WeakPolarHBondContact O-CB 3.48Å; Q58-L62 VanDerWaalsContact O-CG 3.28Å; Q58-L62 WeakPolarHBondContact O-CG 3.3Å; Q58-L62 PolarHBondContact O-N 3.18Å |
| 59 | N | 91.7 | Very high | 89.4 | Confident | 11 Ų | 11 | 70.7 Ų | 70.7 | 6% | 0.059 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64 | -36.8 | 177.6 | -75.3 | -12.8 | 0 | 0 | 0 | 110.8 | F31 T38 L55 L56 S63 | F31-N59 HydrophobicContact CD2-CB 4.1Å; F31-N59 HydrophobicContact CE2-CB 3.72Å; T38-N59 PolarHBondContact OG1-ND2 3.06Å; L55-N59 WeakPolarHBondContact O-CB 3.34Å; L55-N59 VanDerWaalsContact O-CG 3.29Å; L55-N59 PolarHBondContact O-N 2.84Å; L56-N59 PolarHBondContact O-N 3.42Å; N59-S63 VanDerWaalsContact O-CB 3.31Å; N59-S63 WeakPolarHBondContact O-CB 3.5Å; N59-S63 PolarHBondContact O-N 3.02Å; N59-S63 PolarHBondContact O-OG 2.94Å |
| 60 | W | 91.9 | Very high | 89.6 | Confident | 120 Ų | 120 | 71.9 Ų | 71.9 | 46% | 0.455 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.1 | -49.9 | 176.4 | -179.6 | -105.7 | 0 | 0 | 0 | 111.7 | T27 F31 L56 L57 Q58 L62 S63 V64 | T27-W60 HydrophobicContact CG2-CH2 4.31Å; T27-W60 HydrophobicContact CG2-CZ3 4.4Å; F31-W60 HydrophobicContact CD2-CB 4.28Å; F31-W60 AromaticContact CD2-CE3 3.94Å; F31-W60 HydrophobicContact CD2-CE3 3.94Å; F31-W60 HydrophobicContact CE2-CB 4.02Å; F31-W60 HydrophobicContact CE2-CE3 4.33Å; F31-W60 HydrophobicContact CG-CE3 4.18Å; L56-W60 VanDerWaalsContact O-CB 3.28Å; L56-W60 WeakPolarHBondContact O-CB 3.43Å; L56-W60 PolarHBondContact O-N 3.29Å; L57-W60 PolarHBondContact O-N 3.25Å; Q58-W60 VanDerWaalsContact C-N 3.26Å; Q58-W60 PolarHBondContact O-N 3.21Å; W60-L62 PolarHBondContact O-N 3.38Å; W60-S63 PolarHBondContact O-N 3.41Å; W60-S63 VanDerWaalsContact O-N 3.16Å; W60-V64 HydrophobicContact CZ2-CG2 4.24Å; W60-V64 WeakPolarHBondContact O-CG2 3.31Å; W60-V64 PolarHBondContact O-N 2.75Å |
| 61 | T | 91.6 | Very high | 89.5 | Confident | 73 Ų | 73 | 69 Ų | 69 | 45% | 0.448 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.8 | -42 | 178.7 | 55.2 | 0 | 0 | 0 | 0 | 111.9 | L57 Q58 S63 V64 I65 | L57-T61 WeakPolarHBondContact O-CG2 3.23Å; L57-T61 PolarHBondContact O-N 3.43Å; L57-T61 PolarHBondContact O-OG1 3.17Å; Q58-T61 PolarHBondContact O-N 2.78Å; Q58-T61 PolarHBondContact O-OG1 3.44Å; T61-S63 VanDerWaalsContact C-N 3.31Å; T61-S63 PolarHBondContact O-N 3.09Å; T61-V64 PolarHBondContact O-N 3.37Å; T61-I65 WeakPolarHBondContact O-CG1 3.49Å; T61-I65 PolarHBondContact O-N 3.33Å |
| 62 | L | 93.3 | Very high | 89.3 | Confident | 80 Ų | 80 | 69.7 Ų | 69.7 | 42% | 0.419 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.7 | -40.5 | 174 | -73 | 173.6 | 0 | 0 | 0 | 112.2 | L34 Q58 W60 I65 F66 | L34-L62 HydrophobicContact CD1-CB 4.37Å; Q58-L62 HydrophobicContact CG-CD1 4.14Å; Q58-L62 WeakPolarHBondContact O-CB 3.48Å; Q58-L62 VanDerWaalsContact O-CG 3.28Å; Q58-L62 WeakPolarHBondContact O-CG 3.3Å; Q58-L62 PolarHBondContact O-N 3.18Å; W60-L62 PolarHBondContact O-N 3.38Å; L62-I65 PolarHBondContact O-N 3.4Å; L62-F66 VanDerWaalsContact O-CB 3.3Å; L62-F66 WeakPolarHBondContact O-CB 3.33Å; L62-F66 PolarHBondContact O-N 2.8Å |
| 63 | S | 93 | Very high | 89.1 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -66 | -40.2 | 179.9 | -58.5 | 0 | 0 | 0 | 0 | 112.1 | F31 N59 W60 T61 S67 | F31-S63 WeakPolarHBondContact CA-OG 3.35Å; F31-S63 WeakPolarHBondContact CB-OG 3.43Å; F31-S63 PolarHBondContact N-OG 2.82Å; N59-S63 VanDerWaalsContact O-CB 3.31Å; N59-S63 WeakPolarHBondContact O-CB 3.5Å; N59-S63 PolarHBondContact O-N 3.02Å; N59-S63 PolarHBondContact O-OG 2.94Å; W60-S63 PolarHBondContact O-N 3.41Å; W60-S63 VanDerWaalsContact O-N 3.16Å; T61-S63 VanDerWaalsContact C-N 3.31Å; T61-S63 PolarHBondContact O-N 3.09Å; S63-S67 VanDerWaalsContact O-CB 3.29Å; S63-S67 WeakPolarHBondContact O-CB 3.37Å; S63-S67 PolarHBondContact O-N 3.14Å; S63-S67 PolarHBondContact O-OG 2.59Å; S63-S67 VanDerWaalsContact O-OG 3.06Å |
| 64 | V | 89.7 | Confident | 88.8 | Confident | 57 Ų | 57 | 72.4 Ų | 72.4 | 35% | 0.345 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65 | -44.5 | 175.3 | 173 | 0 | 0 | 0 | 0 | 111.2 | T27 W60 T61 S67 A68 | T27-V64 HydrophobicContact CG2-CG2 3.88Å; W60-V64 HydrophobicContact CZ2-CG2 4.24Å; W60-V64 WeakPolarHBondContact O-CG2 3.31Å; W60-V64 PolarHBondContact O-N 2.75Å; T61-V64 PolarHBondContact O-N 3.37Å; V64-S67 PolarHBondContact O-OG 3.06Å; V64-S67 VanDerWaalsContact O-OG 3.1Å; V64-A68 VanDerWaalsContact O-CB 3.27Å; V64-A68 WeakPolarHBondContact O-CB 3.19Å; V64-A68 PolarHBondContact O-N 3.18Å |
| 65 | I | 90.6 | Very high | 88 | Confident | 118 Ų | 118 | 76.4 Ų | 76.4 | 61% | 0.605 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -63.7 | -45 | 178.7 | -67.8 | 165.9 | 0 | 0 | 0 | 110.5 | T61 L62 A68 G69 | T61-I65 WeakPolarHBondContact O-CG1 3.49Å; T61-I65 PolarHBondContact O-N 3.33Å; L62-I65 PolarHBondContact O-N 3.4Å; I65-A68 PolarHBondContact O-N 3.34Å; I65-G69 PolarHBondContact O-N 3.42Å |
| 66 | F | 91.2 | Very high | 87.3 | Confident | 123 Ų | 123 | 78.8 Ų | 78.8 | 54% | 0.539 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -68 | -42.3 | -179.3 | -168.8 | -99.8 | 0 | 0 | 0 | 111.9 | V30 L62 G69 L70 | V30-F66 HydrophobicContact CG1-CB 4.2Å; V30-F66 HydrophobicContact CG1-CD1 3.75Å; V30-F66 HydrophobicContact CG1-CG 4.34Å; V30-F66 HydrophobicContact CG2-CD1 3.96Å; V30-F66 HydrophobicContact CG2-CE1 4.46Å; L62-F66 VanDerWaalsContact O-CB 3.3Å; L62-F66 WeakPolarHBondContact O-CB 3.33Å; L62-F66 PolarHBondContact O-N 2.8Å; F66-G69 PolarHBondContact O-N 3.06Å; F66-L70 HydrophobicContact CD1-CD1 3.86Å; F66-L70 HydrophobicContact CD1-CG 4.2Å; F66-L70 HydrophobicContact CE1-CD1 3.66Å; F66-L70 HydrophobicContact CE1-CD2 4.32Å; F66-L70 HydrophobicContact CE1-CG 4Å; F66-L70 WeakPolarHBondContact O-CG 3.4Å; F66-L70 PolarHBondContact O-N 2.75Å |
| 67 | S | 89 | Confident | 86.4 | Confident | 3 Ų | 3 | 77.2 Ų | 77.2 | 2% | 0.021 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -65.8 | -38.6 | 176.2 | 67.6 | 0 | 0 | 0 | 0 | 111.9 | T27 S63 V64 G69 L70 V71 | T27-S67 WeakPolarHBondContact OG1-CB 3.31Å; T27-S67 PolarHBondContact OG1-OG 3Å; S63-S67 VanDerWaalsContact O-CB 3.29Å; S63-S67 WeakPolarHBondContact O-CB 3.37Å; S63-S67 PolarHBondContact O-N 3.14Å; S63-S67 PolarHBondContact O-OG 2.59Å; S63-S67 VanDerWaalsContact O-OG 3.06Å; V64-S67 PolarHBondContact O-OG 3.06Å; V64-S67 VanDerWaalsContact O-OG 3.1Å; S67-G69 VanDerWaalsContact C-N 3.31Å; S67-G69 PolarHBondContact O-N 3.35Å; S67-L70 PolarHBondContact O-N 3.19Å; S67-V71 WeakPolarHBondContact O-CB 2.94Å; S67-V71 WeakPolarHBondContact O-CG2 3.44Å; S67-V71 PolarHBondContact O-N 3.02Å |
| 68 | A | 86.7 | Confident | 85 | Confident | 57 Ų | 57 | 76.9 Ų | 76.9 | 47% | 0.471 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.9 | -43.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V64 I65 V71 A72 | V64-A68 VanDerWaalsContact O-CB 3.27Å; V64-A68 WeakPolarHBondContact O-CB 3.19Å; V64-A68 PolarHBondContact O-N 3.18Å; I65-A68 PolarHBondContact O-N 3.34Å; A68-V71 PolarHBondContact O-N 3.45Å; A68-A72 VanDerWaalsContact O-CB 3.32Å; A68-A72 WeakPolarHBondContact O-CB 3.39Å; A68-A72 PolarHBondContact O-N 2.98Å |
| 69 | G | 87.5 | Confident | 83.3 | Confident | 36 Ų | 36 | 75.2 Ų | 75.2 | 37% | 0.371 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | I65 F66 S67 F73 | I65-G69 PolarHBondContact O-N 3.42Å; F66-G69 PolarHBondContact O-N 3.06Å; S67-G69 VanDerWaalsContact C-N 3.31Å; S67-G69 PolarHBondContact O-N 3.35Å; G69-F73 WeakPolarHBondContact O-CD2 3.29Å; G69-F73 VanDerWaalsContact O-CE2 3.28Å; G69-F73 WeakPolarHBondContact O-CE2 3.46Å |
| 70 | L | 86 | Confident | 81.6 | Confident | 84 Ų | 84 | 79.8 Ų | 79.8 | 44% | 0.44 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 175.9 | -73.1 | 175.6 | 0 | 0 | 0 | 112.2 | I26 V30 F66 S67 A72 | I26-L70 HydrophobicContact CG2-CD1 4.41Å; V30-L70 HydrophobicContact CG2-CD1 4.32Å; F66-L70 HydrophobicContact CD1-CD1 3.86Å; F66-L70 HydrophobicContact CD1-CG 4.2Å; F66-L70 HydrophobicContact CE1-CD1 3.66Å; F66-L70 HydrophobicContact CE1-CD2 4.32Å; F66-L70 HydrophobicContact CE1-CG 4Å; F66-L70 WeakPolarHBondContact O-CG 3.4Å; F66-L70 PolarHBondContact O-N 2.75Å; S67-L70 PolarHBondContact O-N 3.19Å; L70-A72 VanDerWaalsContact C-N 3.33Å |
| 71 | V | 85.8 | Confident | 79.6 | Confident | 15 Ų | 15 | 80.4 Ų | 80.4 | 9% | 0.091 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -71.9 | -29.4 | -176.9 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | V23 I26 S67 A68 F73 N74 F77 | V23-V71 HydrophobicContact CG2-CG1 4.3Å; V23-V71 HydrophobicContact CG2-CG2 4.26Å; I26-V71 HydrophobicContact CD1-CG2 4.35Å; S67-V71 WeakPolarHBondContact O-CB 2.94Å; S67-V71 WeakPolarHBondContact O-CG2 3.44Å; S67-V71 PolarHBondContact O-N 3.02Å; A68-V71 PolarHBondContact O-N 3.45Å; V71-F73 PolarHBondContact O-N 3.4Å; V71-N74 PolarHBondContact O-N 3.29Å; V71-F77 HydrophobicContact CG1-CB 3.13Å; V71-F77 HydrophobicContact CG1-CD1 3.92Å; V71-F77 HydrophobicContact CG1-CD2 3.88Å; V71-F77 HydrophobicContact CG1-CG 3.42Å; V71-F77 VanDerWaalsContact CG1-CG 3.42Å |
| 72 | A | 84.3 | Confident | 77.7 | Confident | 79 Ų | 79 | 84.5 Ų | 84.5 | 65% | 0.653 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -19.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | A68 L70 N74 | A68-A72 VanDerWaalsContact O-CB 3.32Å; A68-A72 WeakPolarHBondContact O-CB 3.39Å; A68-A72 PolarHBondContact O-N 2.98Å; L70-A72 VanDerWaalsContact C-N 3.33Å; A72-N74 VanDerWaalsContact C-N 3.3Å |
| 73 | F | 82.2 | Confident | 75.6 | Confident | 186 Ų | 186 | 84.5 Ų | 84.5 | 82% | 0.816 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -10.4 | 176.4 | -68.1 | -74.6 | 0 | 0 | 0 | 113.9 | G69 V71 | G69-F73 WeakPolarHBondContact O-CD2 3.29Å; G69-F73 VanDerWaalsContact O-CE2 3.28Å; G69-F73 WeakPolarHBondContact O-CE2 3.46Å; V71-F73 PolarHBondContact O-N 3.4Å |
| 74 | N | 79.8 | Confident | 73.3 | Confident | 73 Ų | 73 | 94.1 Ų | 94.1 | 39% | 0.39 | 49% | 0.491 | S | S | . | . | trans | -119.1 | 112 | -175.3 | -170.9 | -23.7 | 0 | 0 | 0 | 110.7 | V71 A72 D76 F77 | V71-N74 PolarHBondContact O-N 3.29Å; A72-N74 VanDerWaalsContact C-N 3.3Å; N74-D76 PolarHBondContact O-N 3.46Å; N74-D76 VanDerWaalsContact O-N 3.14Å; N74-D76 WeakPolarHBondContact OD1-CB 3.15Å; N74-D76 PolarHBondContact OD1-N 3.05Å; N74-D76 VanDerWaalsContact OD1-N 3.08Å; N74-F77 HydrophobicContact CB-CD2 3.83Å; N74-F77 HydrophobicContact CB-CE2 4.19Å; N74-F77 PolarHBondContact O-N 2.96Å | ||
| 75 | N | 73.9 | Confident | 71.1 | Confident | 141 Ų | 141 | 98.9 Ų | 98.9 | 75% | 0.754 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -62 | -19.5 | -177 | -64.4 | -36.6 | 0 | 0 | 0 | 113.5 | F77 D78 | N75-F77 PolarHBondContact O-N 3.21Å; N75-D78 VanDerWaalsContact O-CB 3.26Å; N75-D78 WeakPolarHBondContact O-CB 3.29Å; N75-D78 PolarHBondContact O-N 2.75Å; N75-D78 VanDerWaalsContact O-N 3.08Å |
| 76 | D | 72.8 | Confident | 68.7 | Low | 111 Ų | 111 | 100 Ų | 100 | 59% | 0.594 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -63.4 | -23.6 | 175.2 | -67.7 | -23.9 | 0 | 0 | 0 | 111.8 | M19 N74 | M19-D76 HydrophobicContact CE-CB 4.34Å; M19-D76 WeakPolarHBondContact CE-O 3.29Å; N74-D76 PolarHBondContact O-N 3.46Å; N74-D76 VanDerWaalsContact O-N 3.14Å; N74-D76 WeakPolarHBondContact OD1-CB 3.15Å; N74-D76 PolarHBondContact OD1-N 3.05Å; N74-D76 VanDerWaalsContact OD1-N 3.08Å |
| 77 | F | 70.8 | Confident | 67.6 | Low | 32 Ų | 32 | 98.8 Ų | 98.8 | 14% | 0.14 | 54% | 0.54 | C | S | . | . | G | 310 helix | trans | -102.8 | 26.2 | 176.3 | -56.2 | -91 | 0 | 0 | 0 | 112.6 | M19 L22 V23 V71 N74 N75 T79 | M19-F77 HydrophobicContact CB-CD1 4.39Å; M19-F77 HydrophobicContact CB-CE1 4.46Å; L22-F77 HydrophobicContact CB-CE1 4.39Å; L22-F77 HydrophobicContact CD2-CE1 4.01Å; L22-F77 HydrophobicContact CD2-CZ 3.58Å; L22-F77 HydrophobicContact CG-CE1 4.29Å; L22-F77 HydrophobicContact CG-CZ 4.15Å; V23-F77 HydrophobicContact CG2-CD1 3.53Å; V23-F77 HydrophobicContact CG2-CE1 3.73Å; V71-F77 HydrophobicContact CG1-CB 3.13Å; V71-F77 HydrophobicContact CG1-CD1 3.92Å; V71-F77 HydrophobicContact CG1-CD2 3.88Å; V71-F77 HydrophobicContact CG1-CG 3.42Å; V71-F77 VanDerWaalsContact CG1-CG 3.42Å; N74-F77 HydrophobicContact CB-CD2 3.83Å; N74-F77 HydrophobicContact CB-CE2 4.19Å; N74-F77 PolarHBondContact O-N 2.96Å; N75-F77 PolarHBondContact O-N 3.21Å; F77-T79 PolarHBondContact O-N 3.29Å; F77-T79 PolarHBondContact O-OG1 3.37Å |
| 78 | D | 61.5 | Low | 66.5 | Low | 112 Ų | 112 | 103.8 Ų | 103.8 | 60% | 0.599 | 57% | 0.568 | S | S | * | * | trans | -67.7 | 63.7 | 170.2 | -164.1 | 30.8 | 0 | 0 | 0 | 110 | N75 Q80 | N75-D78 VanDerWaalsContact O-CB 3.26Å; N75-D78 WeakPolarHBondContact O-CB 3.29Å; N75-D78 PolarHBondContact O-N 2.75Å; N75-D78 VanDerWaalsContact O-N 3.08Å; D78-Q80 PolarHBondContact O-N 3.23Å | ||
| 79 | T | 56.9 | Low | 65.3 | Low | 69 Ų | 69 | 106.4 Ų | 106.4 | 42% | 0.423 | 57% | 0.573 | S | S | . | * | trans | -60.3 | 94 | 148.5 | 11.7 | 0 | 0 | 0 | 0 | 104.7 | F77 L81 | F77-T79 PolarHBondContact O-N 3.29Å; F77-T79 PolarHBondContact O-OG1 3.37Å; T79-L81 PolarHBondContact O-N 2.62Å; T79-L81 VanDerWaalsContact O-N 3.1Å | ||
| 80 | Q | 54.7 | Low | 64 | Low | 107 Ų | 107 | 110.6 Ų | 110.6 | 50% | 0.5 | 59% | 0.585 | S | S | . | * | trans | -41.5 | 124.2 | 177.5 | -67.3 | -177.1 | -30.8 | 0 | 0 | 108.3 | D78 K82 I83 | D78-Q80 PolarHBondContact O-N 3.23Å; Q80-K82 HydrophobicContact CB-CB 4.01Å; Q80-K82 PolarHBondContact O-N 2.84Å; Q80-I83 PolarHBondContact O-N 2.72Å | ||
| 81 | L | 51.5 | Low | 62.7 | Low | 132 Ų | 132 | 112.3 Ų | 112.3 | 69% | 0.691 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.9 | -18 | 171.5 | -83.2 | 168.4 | 0 | 0 | 0 | 112.7 | T79 I83 W84 L85 | T79-L81 PolarHBondContact O-N 2.62Å; T79-L81 VanDerWaalsContact O-N 3.1Å; L81-I83 VanDerWaalsContact C-N 3.26Å; L81-I83 PolarHBondContact O-N 3.5Å; L81-W84 PolarHBondContact O-N 3.28Å; L81-W84 VanDerWaalsContact O-N 3.11Å; L81-L85 PolarHBondContact O-N 2.83Å |
| 82 | K | 50.7 | Low | 61.1 | Low | 160 Ų | 160 | 118.7 Ų | 118.7 | 70% | 0.696 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -50 | -37.2 | 167.4 | -89.4 | -176.7 | 169 | 178.7 | 0 | 114.7 | Q80 W84 L85 A86 | Q80-K82 HydrophobicContact CB-CB 4.01Å; Q80-K82 PolarHBondContact O-N 2.84Å; K82-W84 VanDerWaalsContact C-N 3.31Å; K82-L85 PolarHBondContact O-N 3.14Å; K82-A86 WeakPolarHBondContact O-CB 3.24Å; K82-A86 PolarHBondContact O-N 3.23Å |
| 83 | I | 48.9 | Very low | 59.5 | Low | 80 Ų | 80 | 121.6 Ų | 121.6 | 41% | 0.41 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -72.5 | -29.4 | 179.8 | -62.8 | 175.3 | 0 | 0 | 0 | 111 | Q80 L81 L85 | Q80-I83 PolarHBondContact O-N 2.72Å; L81-I83 VanDerWaalsContact C-N 3.26Å; L81-I83 PolarHBondContact O-N 3.5Å; I83-L85 VanDerWaalsContact C-N 3.34Å |
| 84 | W | 44.9 | Very low | 57.7 | Low | 202 Ų | 202 | 116.6 Ų | 116.6 | 77% | 0.765 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -79 | -17.9 | 177.3 | -73.1 | 100.6 | 0 | 0 | 0 | 113.7 | L81 K82 | L81-W84 PolarHBondContact O-N 3.28Å; L81-W84 VanDerWaalsContact O-N 3.11Å; K82-W84 VanDerWaalsContact C-N 3.31Å |
| 85 | L | 43.3 | Very low | 55.9 | Low | 157 Ų | 157 | 120.3 Ų | 120.3 | 82% | 0.822 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -104.4 | -7.7 | -179.2 | -77.8 | 171.2 | 0 | 0 | 0 | 114.2 | L81 K82 I83 | L81-L85 PolarHBondContact O-N 2.83Å; K82-L85 PolarHBondContact O-N 3.14Å; I83-L85 VanDerWaalsContact C-N 3.34Å |
| 86 | A | 41 | Very low | 54.3 | Low | 140 Ų | 140 | 118.4 Ų | 118.4 | 100% | 1.157 | 62% | 0.618 | S | S | * | * | trans | -91.2 | 0 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | K82 | K82-A86 WeakPolarHBondContact O-CB 3.24Å; K82-A86 PolarHBondContact O-N 3.23Å |
Retrieved 86 of 86 residues in 48.8 ms
(Link to these results)