| 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 | 29.9 | Very low | 44.2 | Very low | 222 Ų | 222 | 95.1 Ų | 95.1 | 100% | 1.094 | 53% | 0.528 | S | S | * | . | 0 | -28.3 | 0 | -74.1 | -143.6 | -104.8 | 0 | 0 | 114.1 | T3 | M1-T3 WeakPolarHBondContact CA-OG1 3.42Å; M1-T3 PolarHBondContact N-OG1 3.38Å; M1-T3 PolarHBondContact O-N 3.13Å; M1-T3 PolarHBondContact O-OG1 2.92Å | |||
| 2 | A | 40.1 | Very low | 44.4 | Very low | 78 Ų | 78 | 97.1 Ų | 97.1 | 65% | 0.645 | 53% | 0.53 | S | S | * | . | trans | -73.1 | 24.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | T6 | A2-T6 VanDerWaalsContact O-CB 3.23Å; A2-T6 WeakPolarHBondContact O-CB 3.43Å; A2-T6 PolarHBondContact O-OG1 3.47Å | ||
| 3 | T | 49.5 | Very low | 44.4 | Very low | 100 Ų | 100 | 95.6 Ų | 95.6 | 61% | 0.613 | 52% | 0.52 | S | S | * | . | -110 | 5.1 | -129.8 | 30.8 | 0 | 0 | 0 | 0 | 117 | M1 | M1-T3 WeakPolarHBondContact CA-OG1 3.42Å; M1-T3 PolarHBondContact N-OG1 3.38Å; M1-T3 PolarHBondContact O-N 3.13Å; M1-T3 PolarHBondContact O-OG1 2.92Å | |||
| 4 | E | 40.2 | Very low | 44.7 | Very low | 106 Ų | 106 | 90.5 Ų | 90.5 | 50% | 0.495 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -150.2 | -46 | 171.5 | -166.7 | 177.7 | -175.3 | 0 | 0 | 110.2 | T6 L7 N8 | E4-T6 PolarHBondContact O-N 2.82Å; E4-L7 PolarHBondContact O-N 2.88Å; E4-N8 WeakPolarHBondContact O-CB 3.5Å; E4-N8 PolarHBondContact O-N 3.17Å |
| 5 | A | 43.5 | Very low | 44.9 | Very low | 78 Ų | 78 | 89.2 Ų | 89.2 | 65% | 0.645 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -58.8 | -42.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L7 L9 | A5-L7 VanDerWaalsContact C-N 3.32Å; A5-L7 PolarHBondContact O-N 3.17Å; A5-L9 WeakPolarHBondContact O-CB 3.37Å; A5-L9 PolarHBondContact O-N 3.01Å |
| 6 | T | 45.1 | Very low | 44.9 | Very low | 80 Ų | 80 | 88.1 Ų | 88.1 | 49% | 0.491 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.8 | -34.1 | 178.6 | -35.9 | 0 | 0 | 0 | 0 | 111.9 | A2 E4 Y10 | A2-T6 VanDerWaalsContact O-CB 3.23Å; A2-T6 WeakPolarHBondContact O-CB 3.43Å; A2-T6 PolarHBondContact O-OG1 3.47Å; E4-T6 PolarHBondContact O-N 2.82Å; T6-Y10 WeakPolarHBondContact O-CB 3.37Å; T6-Y10 PolarHBondContact O-N 2.82Å |
| 7 | L | 47.6 | Very low | 44.8 | Very low | 57 Ų | 57 | 93.8 Ų | 93.8 | 30% | 0.298 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -79.1 | -38.5 | -179.5 | -156 | 134.5 | 0 | 0 | 0 | 110.9 | E4 A5 Y10 L11 Y43 V44 | E4-L7 PolarHBondContact O-N 2.88Å; A5-L7 VanDerWaalsContact C-N 3.32Å; A5-L7 PolarHBondContact O-N 3.17Å; L7-Y10 PolarHBondContact O-N 3.28Å; L7-L11 HydrophobicContact CD2-CD1 3.82Å; L7-L11 WeakPolarHBondContact O-CB 3.45Å; L7-L11 WeakPolarHBondContact O-CG 3.43Å; L7-L11 PolarHBondContact O-N 3.24Å; L7-Y43 HydrophobicContact CD1-CG 4.29Å; L7-Y43 VanDerWaalsContact CD2-O 3.3Å; L7-Y43 WeakPolarHBondContact CD2-O 3.42Å; L7-V44 HydrophobicContact CD2-CG2 4.2Å |
| 8 | N | 44.6 | Very low | 44.6 | Very low | 70 Ų | 70 | 90.8 Ų | 90.8 | 37% | 0.374 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61 | -44 | 167.1 | -86.8 | -26.9 | 0 | 0 | 0 | 111.6 | E4 L11 H12 M47 | E4-N8 WeakPolarHBondContact O-CB 3.5Å; E4-N8 PolarHBondContact O-N 3.17Å; N8-L11 PolarHBondContact O-N 2.99Å; N8-H12 VanDerWaalsContact O-CB 3.23Å; N8-H12 WeakPolarHBondContact O-CB 3.16Å; N8-H12 PolarHBondContact O-N 2.7Å; N8-M47 WeakPolarHBondContact OD1-CE 3.34Å |
| 9 | L | 47 | Very low | 44.6 | Very low | 108 Ų | 108 | 89.7 Ų | 89.7 | 57% | 0.565 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -66.3 | -39.9 | 176 | -168.2 | 75.7 | 0 | 0 | 0 | 111 | A5 H12 L13 | A5-L9 WeakPolarHBondContact O-CB 3.37Å; A5-L9 PolarHBondContact O-N 3.01Å; L9-H12 PolarHBondContact O-N 3.16Å; L9-L13 HydrophobicContact CD2-CD1 4.45Å; L9-L13 HydrophobicContact CG-CD1 4.04Å; L9-L13 VanDerWaalsContact O-CB 3.23Å; L9-L13 WeakPolarHBondContact O-CB 3.12Å; L9-L13 WeakPolarHBondContact O-CD1 3.39Å; L9-L13 PolarHBondContact O-N 2.78Å |
| 10 | Y | 48.3 | Very low | 44.5 | Very low | 140 Ų | 140 | 89.3 Ų | 89.3 | 55% | 0.549 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.6 | -36.7 | 176.9 | -171 | -105.5 | 0 | 0 | 0 | 112.1 | T6 L7 L13 L14 | T6-Y10 WeakPolarHBondContact O-CB 3.37Å; T6-Y10 PolarHBondContact O-N 2.82Å; L7-Y10 PolarHBondContact O-N 3.28Å; Y10-L13 CarbonylContact O-C 3.53Å; Y10-L14 HydrophobicContact CD1-CD1 3.47Å; Y10-L14 VanDerWaalsContact CD1-CD1 3.47Å; Y10-L14 HydrophobicContact CD1-CG 4.47Å; Y10-L14 HydrophobicContact CE1-CD1 3.3Å; Y10-L14 HydrophobicContact CE1-CG 4.23Å; Y10-L14 HydrophobicContact CG-CD1 4.39Å; Y10-L14 WeakPolarHBondContact O-CB 3Å; Y10-L14 PolarHBondContact O-N 3.15Å |
| 11 | L | 50.6 | Low | 44.4 | Very low | 7 Ų | 7 | 90.4 Ų | 90.4 | 4% | 0.037 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -71 | -41.4 | 171.6 | -81.5 | 167.7 | 0 | 0 | 0 | 111.7 | L7 N8 L13 L14 L15 W23 V44 M47 | L7-L11 HydrophobicContact CD2-CD1 3.82Å; L7-L11 WeakPolarHBondContact O-CB 3.45Å; L7-L11 WeakPolarHBondContact O-CG 3.43Å; L7-L11 PolarHBondContact O-N 3.24Å; N8-L11 PolarHBondContact O-N 2.99Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L14 HydrophobicContact CD2-CD1 4.41Å; L11-L14 CarbonylContact O-C 3.27Å; L11-L14 PolarHBondContact O-N 3.3Å; L11-L15 VanDerWaalsContact O-CB 3.26Å; L11-L15 WeakPolarHBondContact O-CB 3.4Å; L11-L15 WeakPolarHBondContact O-CG 3.34Å; L11-L15 PolarHBondContact O-N 3.34Å; L11-W23 HydrophobicContact CD2-CH2 4.11Å; L11-W23 HydrophobicContact CD2-CZ2 4.39Å; L11-V44 HydrophobicContact CD1-CB 4.33Å; L11-V44 HydrophobicContact CD1-CG1 3.94Å; L11-V44 HydrophobicContact CD1-CG2 4.1Å; L11-V44 HydrophobicContact CD2-CG1 3.59Å; L11-V44 HydrophobicContact CD2-CG2 4.26Å; L11-V44 HydrophobicContact CG-CG1 4.4Å; L11-M47 HydrophobicContact CD1-SD 3.28Å; L11-M47 WeakPolarHBondContact CD1-SD 3.35Å |
| 12 | H | 46.3 | Very low | 45.1 | Very low | 119 Ų | 119 | 85.9 Ų | 85.9 | 55% | 0.551 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -58.1 | -50.4 | 171.5 | -153.5 | 68.4 | 0 | 0 | 0 | 108.6 | N8 L9 L14 L15 T16 | N8-H12 VanDerWaalsContact O-CB 3.23Å; N8-H12 WeakPolarHBondContact O-CB 3.16Å; N8-H12 PolarHBondContact O-N 2.7Å; L9-H12 PolarHBondContact O-N 3.16Å; H12-L14 PolarHBondContact O-N 3.12Å; H12-L15 CarbonylContact O-C 3.38Å; H12-L15 PolarHBondContact O-N 2.91Å; H12-T16 WeakPolarHBondContact O-CB 3.29Å; H12-T16 WeakPolarHBondContact O-CG2 3.19Å; H12-T16 PolarHBondContact O-N 3.06Å; H12-T16 PolarHBondContact O-OG1 3.44Å |
| 13 | L | 44.2 | Very low | 45.4 | Very low | 78 Ų | 78 | 83 Ų | 83 | 41% | 0.408 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -57.3 | -40.2 | 172.4 | -90.1 | 148.3 | 0 | 0 | 0 | 113.6 | L9 Y10 L11 Y17 T18 | L9-L13 HydrophobicContact CD2-CD1 4.45Å; L9-L13 HydrophobicContact CG-CD1 4.04Å; L9-L13 VanDerWaalsContact O-CB 3.23Å; L9-L13 WeakPolarHBondContact O-CB 3.12Å; L9-L13 WeakPolarHBondContact O-CD1 3.39Å; L9-L13 PolarHBondContact O-N 2.78Å; Y10-L13 CarbonylContact O-C 3.53Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L13-Y17 HydrophobicContact CD2-CD2 3.76Å; L13-Y17 HydrophobicContact CD2-CG 4.22Å; L13-Y17 HydrophobicContact CG-CD2 4.28Å; L13-Y17 CarbonylContact O-C 3.57Å; L13-Y17 WeakPolarHBondContact O-CA 3.42Å; L13-Y17 VanDerWaalsContact O-CB 3.25Å; L13-Y17 WeakPolarHBondContact O-CB 3.5Å; L13-Y17 PolarHBondContact O-N 2.9Å; L13-T18 PolarHBondContact O-N 3.48Å; L13-T18 VanDerWaalsContact O-N 3.13Å |
| 14 | L | 48.4 | Very low | 45.2 | Very low | 24 Ų | 24 | 80.9 Ų | 80.9 | 13% | 0.126 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 173.4 | -94.1 | 151.1 | 0 | 0 | 0 | 111.1 | Y10 L11 H12 T18 K22 W23 | Y10-L14 HydrophobicContact CD1-CD1 3.47Å; Y10-L14 VanDerWaalsContact CD1-CD1 3.47Å; Y10-L14 HydrophobicContact CD1-CG 4.47Å; Y10-L14 HydrophobicContact CE1-CD1 3.3Å; Y10-L14 HydrophobicContact CE1-CG 4.23Å; Y10-L14 HydrophobicContact CG-CD1 4.39Å; Y10-L14 WeakPolarHBondContact O-CB 3Å; Y10-L14 PolarHBondContact O-N 3.15Å; L11-L14 HydrophobicContact CD2-CD1 4.41Å; L11-L14 CarbonylContact O-C 3.27Å; L11-L14 PolarHBondContact O-N 3.3Å; H12-L14 PolarHBondContact O-N 3.12Å; L14-T18 WeakPolarHBondContact CA-OG1 3.32Å; L14-T18 HydrophobicContact CB-CG2 4.44Å; L14-T18 HydrophobicContact CD2-CG2 4Å; L14-T18 WeakPolarHBondContact CD2-OG1 3.08Å; L14-T18 HydrophobicContact CG-CG2 4.12Å; L14-T18 PolarHBondContact O-N 3.34Å; L14-T18 PolarHBondContact O-OG1 2.92Å; L14-K22 HydrophobicContact CD2-CB 4.28Å; L14-W23 HydrophobicContact CB-CZ2 4.19Å |
| 15 | L | 48.1 | Very low | 45.4 | Very low | 71 Ų | 71 | 81.5 Ų | 81.5 | 37% | 0.372 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -80.9 | -32.7 | -176.4 | -67 | 174.4 | 0 | 0 | 0 | 113.2 | L11 H12 W23 L54 | L11-L15 VanDerWaalsContact O-CB 3.26Å; L11-L15 WeakPolarHBondContact O-CB 3.4Å; L11-L15 WeakPolarHBondContact O-CG 3.34Å; L11-L15 PolarHBondContact O-N 3.34Å; H12-L15 CarbonylContact O-C 3.38Å; H12-L15 PolarHBondContact O-N 2.91Å; L15-W23 HydrophobicContact CD2-CZ2 3.62Å; L15-W23 HydrophobicContact CG-CZ2 4.26Å; L15-L54 HydrophobicContact CD1-CD2 3.84Å; L15-L54 HydrophobicContact CD2-CD2 3.23Å; L15-L54 HydrophobicContact CG-CD2 4.16Å |
| 16 | T | 44.5 | Very low | 45.7 | Very low | 72 Ų | 72 | 78.7 Ų | 78.7 | 44% | 0.442 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -96.9 | -28.9 | -178 | 59.3 | 0 | 0 | 0 | 0 | 113 | H12 | H12-T16 WeakPolarHBondContact O-CB 3.29Å; H12-T16 WeakPolarHBondContact O-CG2 3.19Å; H12-T16 PolarHBondContact O-N 3.06Å; H12-T16 PolarHBondContact O-OG1 3.44Å |
| 17 | Y | 44.3 | Very low | 45.9 | Very low | 185 Ų | 185 | 75 Ų | 75 | 73% | 0.725 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -129.4 | -5.9 | -169.1 | -68.2 | -74.8 | 0 | 0 | 0 | 116 | L13 | L13-Y17 HydrophobicContact CD2-CD2 3.76Å; L13-Y17 HydrophobicContact CD2-CG 4.22Å; L13-Y17 HydrophobicContact CG-CD2 4.28Å; L13-Y17 CarbonylContact O-C 3.57Å; L13-Y17 WeakPolarHBondContact O-CA 3.42Å; L13-Y17 VanDerWaalsContact O-CB 3.25Å; L13-Y17 WeakPolarHBondContact O-CB 3.5Å; L13-Y17 PolarHBondContact O-N 2.9Å |
| 18 | T | 41.1 | Very low | 46 | Very low | 40 Ų | 40 | 73.3 Ų | 73.3 | 25% | 0.245 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -96.9 | 137.3 | 175.8 | 70.1 | 0 | 0 | 0 | 0 | 112.7 | L13 L14 K22 | L13-T18 PolarHBondContact O-N 3.48Å; L13-T18 VanDerWaalsContact O-N 3.13Å; L14-T18 WeakPolarHBondContact CA-OG1 3.32Å; L14-T18 HydrophobicContact CB-CG2 4.44Å; L14-T18 HydrophobicContact CD2-CG2 4Å; L14-T18 WeakPolarHBondContact CD2-OG1 3.08Å; L14-T18 HydrophobicContact CG-CG2 4.12Å; L14-T18 PolarHBondContact O-N 3.34Å; L14-T18 PolarHBondContact O-OG1 2.92Å; T18-K22 HydrophobicContact CG2-CD 4.02Å |
| 19 | S | 45 | Very low | 46.3 | Very low | 70 Ų | 70 | 79.3 Ų | 79.3 | 49% | 0.49 | 39% | 0.391 | S | S | . | . | trans | -57.3 | 146.6 | 167.2 | 73 | 0 | 0 | 0 | 0 | 109.4 | D21 K22 | S19-D21 PolarHBondContact O-N 3.01Å; S19-D21 PolarHBondContact OG-OD2 2.97Å; S19-K22 PolarHBondContact O-N 3.34Å | ||
| 20 | L | 42.5 | Very low | 46.5 | Very low | 80 Ų | 80 | 78.9 Ų | 78.9 | 42% | 0.419 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.2 | -24.9 | 176.3 | -79.7 | 139.9 | 0 | 0 | 0 | 113.5 | K22 W23 V24 L61 | L20-K22 PolarHBondContact O-N 3.28Å; L20-W23 PolarHBondContact O-N 3.17Å; L20-V24 PolarHBondContact O-N 3.28Å; L20-L61 HydrophobicContact CD2-CD1 4.43Å; L20-L61 HydrophobicContact CD2-CG 4.1Å |
| 21 | D | 41.9 | Very low | 46.7 | Very low | 114 Ų | 114 | 72.6 Ų | 72.6 | 61% | 0.61 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -60.9 | -33.3 | -176.7 | -52.6 | -48 | 0 | 0 | 0 | 114.7 | S19 W23 V24 | S19-D21 PolarHBondContact O-N 3.01Å; S19-D21 PolarHBondContact OG-OD2 2.97Å; D21-W23 VanDerWaalsContact C-N 3.31Å; D21-W23 PolarHBondContact O-N 3.41Å; D21-V24 VanDerWaalsContact O-CB 3.32Å; D21-V24 WeakPolarHBondContact O-CB 3.27Å; D21-V24 PolarHBondContact O-N 3.01Å |
| 22 | K | 44 | Very low | 47 | Very low | 127 Ų | 127 | 73 Ų | 73 | 55% | 0.552 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -71.5 | -28.9 | 178.8 | -73.6 | -170.9 | 178.5 | -179.8 | 0 | 112.6 | L14 T18 S19 L20 F25 | L14-K22 HydrophobicContact CD2-CB 4.28Å; T18-K22 HydrophobicContact CG2-CD 4.02Å; S19-K22 PolarHBondContact O-N 3.34Å; L20-K22 PolarHBondContact O-N 3.28Å; K22-F25 PolarHBondContact O-N 3.02Å |
| 23 | W | 47.6 | Very low | 47.9 | Very low | 17 Ų | 17 | 70.8 Ų | 70.8 | 6% | 0.064 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -75.9 | -27.4 | 173.3 | -71.4 | 101.1 | 0 | 0 | 0 | 112.1 | L11 L14 L15 L20 D21 F25 V26 S27 F40 F65 | L11-W23 HydrophobicContact CD2-CH2 4.11Å; L11-W23 HydrophobicContact CD2-CZ2 4.39Å; L14-W23 HydrophobicContact CB-CZ2 4.19Å; L15-W23 HydrophobicContact CD2-CZ2 3.62Å; L15-W23 HydrophobicContact CG-CZ2 4.26Å; L20-W23 PolarHBondContact O-N 3.17Å; D21-W23 VanDerWaalsContact C-N 3.31Å; D21-W23 PolarHBondContact O-N 3.41Å; W23-F25 PolarHBondContact O-N 3.46Å; W23-V26 PolarHBondContact O-N 3.25Å; W23-S27 PolarHBondContact O-N 3.33Å; W23-F40 HydrophobicContact CZ3-CE2 4.15Å; W23-F65 HydrophobicContact CB-CD2 4.02Å; W23-F65 AromaticContact CD2-CD2 3.8Å; W23-F65 HydrophobicContact CD2-CD2 3.8Å; W23-F65 AromaticContact CD2-CE2 3.89Å; W23-F65 HydrophobicContact CD2-CE2 3.89Å; W23-F65 AromaticContact CE3-CD2 3.24Å; W23-F65 HydrophobicContact CE3-CD2 3.24Å; W23-F65 AromaticContact CE3-CE2 2.9Å; W23-F65 HydrophobicContact CE3-CE2 2.9Å; W23-F65 HydrophobicContact CE3-CG 4.35Å; W23-F65 AromaticContact CE3-CZ 3.74Å; W23-F65 HydrophobicContact CE3-CZ 3.74Å; W23-F65 HydrophobicContact CG-CD2 4.19Å; W23-F65 HydrophobicContact CH2-CE2 4.09Å; W23-F65 HydrophobicContact CH2-CZ 4.09Å; W23-F65 AromaticContact CZ3-CD2 3.82Å; W23-F65 HydrophobicContact CZ3-CD2 3.82Å; W23-F65 HydrophobicContact CZ3-CE1 4.41Å; W23-F65 AromaticContact CZ3-CE2 3.01Å; W23-F65 HydrophobicContact CZ3-CE2 3.01Å; W23-F65 AromaticContact CZ3-CZ 3.34Å; W23-F65 HydrophobicContact CZ3-CZ 3.34Å |
| 24 | V | 44.5 | Very low | 49 | Very low | 55 Ų | 55 | 68.5 Ų | 68.5 | 33% | 0.333 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -55.9 | -38.1 | 171.5 | -179.6 | 0 | 0 | 0 | 0 | 110.7 | L20 D21 V26 S27 S28 T64 | L20-V24 PolarHBondContact O-N 3.28Å; D21-V24 VanDerWaalsContact O-CB 3.32Å; D21-V24 WeakPolarHBondContact O-CB 3.27Å; D21-V24 PolarHBondContact O-N 3.01Å; V24-V26 PolarHBondContact O-N 2.68Å; V24-S27 CarbonylContact O-C 3.58Å; V24-S27 PolarHBondContact O-N 2.8Å; V24-S27 VanDerWaalsContact O-N 3.09Å; V24-S27 PolarHBondContact O-OG 3.37Å; V24-S28 WeakPolarHBondContact O-CB 3.4Å; V24-S28 PolarHBondContact O-N 3.49Å; V24-T64 HydrophobicContact CG2-CG2 3.71Å |
| 25 | F | 44.9 | Very low | 50 | Low | 120 Ų | 120 | 73.6 Ų | 73.6 | 53% | 0.526 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.7 | -39.6 | 180 | -161.2 | -92.5 | 0 | 0 | 0 | 113.3 | K22 W23 S27 S28 L32 | K22-F25 PolarHBondContact O-N 3.02Å; W23-F25 PolarHBondContact O-N 3.46Å; F25-S27 VanDerWaalsContact C-N 3.26Å; F25-S27 PolarHBondContact O-N 3.29Å; F25-S28 PolarHBondContact O-N 2.99Å; F25-S28 PolarHBondContact O-OG 3.27Å; F25-L32 HydrophobicContact CD1-CD2 4.32Å |
| 26 | V | 50.1 | Low | 51.2 | Low | 18 Ų | 18 | 74.3 Ų | 74.3 | 11% | 0.109 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.4 | -36.4 | 176.7 | 177.3 | 0 | 0 | 0 | 0 | 111.4 | W23 V24 L32 L70 R73 | W23-V26 PolarHBondContact O-N 3.25Å; V24-V26 PolarHBondContact O-N 2.68Å; V26-L32 HydrophobicContact CB-CD1 4.37Å; V26-L32 HydrophobicContact CG1-CD1 3.84Å; V26-L32 HydrophobicContact CG1-CG 4.43Å; V26-L32 HydrophobicContact CG2-CD1 4.19Å; V26-L32 HydrophobicContact CG2-CD2 4.36Å; V26-L32 HydrophobicContact CG2-CG 4.46Å; V26-L70 HydrophobicContact CG1-CD1 3.89Å; V26-R73 PolarHBondContact O-NH1 3.03Å |
| 27 | S | 48 | Very low | 52.9 | Low | 3 Ų | 3 | 71.2 Ų | 71.2 | 2% | 0.021 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -90.7 | -11.6 | -177.7 | 76.7 | 0 | 0 | 0 | 0 | 114.8 | W23 V24 F25 T64 T69 | W23-S27 PolarHBondContact O-N 3.33Å; V24-S27 CarbonylContact O-C 3.58Å; V24-S27 PolarHBondContact O-N 2.8Å; V24-S27 VanDerWaalsContact O-N 3.09Å; V24-S27 PolarHBondContact O-OG 3.37Å; F25-S27 VanDerWaalsContact C-N 3.26Å; F25-S27 PolarHBondContact O-N 3.29Å; S27-T64 PolarHBondContact OG-O 2.97Å; S27-T69 PolarHBondContact O-OG1 3.33Å |
| 28 | S | 50.6 | Low | 54.7 | Low | 22 Ų | 22 | 63.9 Ų | 63.9 | 15% | 0.154 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -63 | 150.3 | -176.2 | 69.7 | 0 | 0 | 0 | 0 | 111.7 | V24 F25 S30 G31 | V24-S28 WeakPolarHBondContact O-CB 3.4Å; V24-S28 PolarHBondContact O-N 3.49Å; F25-S28 PolarHBondContact O-N 2.99Å; F25-S28 PolarHBondContact O-OG 3.27Å; S28-S30 PolarHBondContact O-N 3.39Å; S28-S30 PolarHBondContact OG-OG 3.21Å; S28-G31 WeakPolarHBondContact O-CA 3.36Å; S28-G31 PolarHBondContact O-N 3.49Å; S28-G31 PolarHBondContact OG-N 3.18Å |
| 29 | E | 49.7 | Very low | 56.6 | Low | 196 Ų | 196 | 66.1 Ų | 66.1 | 92% | 0.916 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -29.9 | 174.9 | -68.9 | -174.3 | 162.8 | 0 | 0 | 112.3 | G31 | E29-G31 PolarHBondContact O-N 2.95Š|
| 30 | S | 51.4 | Low | 58.4 | Low | 98 Ų | 98 | 63.5 Ų | 63.5 | 69% | 0.685 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -24.7 | 174.2 | 40.8 | 0 | 0 | 0 | 0 | 113.7 | S28 | S28-S30 PolarHBondContact O-N 3.39Å; S28-S30 PolarHBondContact OG-OG 3.21Å |
| 31 | G | 51.9 | Low | 60.5 | Low | 8 Ų | 8 | 59.7 Ų | 59.7 | 8% | 0.082 | 32% | 0.322 | C | S | . | . | trans | 65 | 159 | 168.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | S28 E29 R73 | S28-G31 WeakPolarHBondContact O-CA 3.36Å; S28-G31 PolarHBondContact O-N 3.49Å; S28-G31 PolarHBondContact OG-N 3.18Å; E29-G31 PolarHBondContact O-N 2.95Å; G31-R73 VanDerWaalsContact CA-CZ 3.41Å; G31-R73 VanDerWaalsContact CA-NH1 3.27Å | ||
| 32 | L | 57.5 | Low | 62.5 | Low | 16 Ų | 16 | 54.5 Ų | 54.5 | 8% | 0.084 | 29% | 0.294 | C | S | . | . | trans | -67.4 | 133.9 | 164 | -68.2 | 175.9 | 0 | 0 | 0 | 111 | F25 V26 I36 L37 F40 R73 | F25-L32 HydrophobicContact CD1-CD2 4.32Å; V26-L32 HydrophobicContact CB-CD1 4.37Å; V26-L32 HydrophobicContact CG1-CD1 3.84Å; V26-L32 HydrophobicContact CG1-CG 4.43Å; V26-L32 HydrophobicContact CG2-CD1 4.19Å; V26-L32 HydrophobicContact CG2-CD2 4.36Å; V26-L32 HydrophobicContact CG2-CG 4.46Å; L32-I36 HydrophobicContact CB-CB 4.24Å; L32-I36 HydrophobicContact CB-CG2 4.48Å; L32-I36 HydrophobicContact CD1-CG2 4.24Å; L32-I36 HydrophobicContact CD2-CB 4.2Å; L32-I36 HydrophobicContact CD2-CG2 3.65Å; L32-I36 HydrophobicContact CG-CG2 4.34Å; L32-L37 HydrophobicContact CB-CB 4.29Å; L32-L37 HydrophobicContact CD1-CD1 4.45Å; L32-F40 HydrophobicContact CD1-CB 4.3Å; L32-F40 HydrophobicContact CD1-CG 4.49Å; L32-R73 VanDerWaalsContact N-NH2 3.18Å; L32-R73 PolarHBondContact O-NH2 3.22Å | ||
| 33 | P | 66.3 | Low | 64.3 | Low | 73 Ų | 73 | 52.9 Ų | 52.9 | 47% | 0.474 | 29% | 0.285 | S | S | . | . | trans | -50.3 | 151.1 | 164.4 | -23.8 | 31.8 | 0 | 0 | 0 | 111.5 | D35 I36 L37 | P33-D35 PolarHBondContact O-N 3.48Å; P33-D35 VanDerWaalsContact O-N 3.08Å; P33-I36 HydrophobicContact CB-CG1 4.29Å; P33-I36 HydrophobicContact CG-CD1 4Å; P33-I36 HydrophobicContact CG-CG1 4.25Å; P33-I36 PolarHBondContact O-N 3.05Å; P33-L37 PolarHBondContact O-N 3.31Å | ||
| 34 | G | 65.9 | Low | 66 | Low | 29 Ų | 29 | 52.9 Ų | 52.9 | 30% | 0.299 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -52.4 | -35.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | H38 Y77 | G34-H38 PolarHBondContact O-N 3.19Å; G34-Y77 VanDerWaalsContact O-CE2 3.27Å; G34-Y77 WeakPolarHBondContact O-CE2 3.23Å |
| 35 | D | 70.7 | Confident | 67.9 | Low | 132 Ų | 132 | 50.3 Ų | 50.3 | 71% | 0.706 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -72.2 | -36.3 | 178.8 | -54.8 | -31.6 | 0 | 0 | 0 | 112.4 | P33 H38 L39 | P33-D35 PolarHBondContact O-N 3.48Å; P33-D35 VanDerWaalsContact O-N 3.08Å; D35-H38 WeakPolarHBondContact O-CB 3.46Å; D35-H38 PolarHBondContact O-N 2.89Å; D35-L39 WeakPolarHBondContact O-CG 3.23Å; D35-L39 PolarHBondContact O-N 2.61Å |
| 36 | I | 73.4 | Confident | 69.9 | Low | 85 Ų | 85 | 44.8 Ų | 44.8 | 44% | 0.436 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -73.5 | -36.3 | 176.5 | -49.9 | -172.1 | 0 | 0 | 0 | 110.4 | L32 P33 H38 L39 F40 | L32-I36 HydrophobicContact CB-CB 4.24Å; L32-I36 HydrophobicContact CB-CG2 4.48Å; L32-I36 HydrophobicContact CD1-CG2 4.24Å; L32-I36 HydrophobicContact CD2-CB 4.2Å; L32-I36 HydrophobicContact CD2-CG2 3.65Å; L32-I36 HydrophobicContact CG-CG2 4.34Å; P33-I36 HydrophobicContact CB-CG1 4.29Å; P33-I36 HydrophobicContact CG-CD1 4Å; P33-I36 HydrophobicContact CG-CG1 4.25Å; P33-I36 PolarHBondContact O-N 3.05Å; I36-H38 VanDerWaalsContact C-N 3.31Å; I36-H38 PolarHBondContact O-N 2.94Å; I36-L39 PolarHBondContact O-N 3.04Å; I36-F40 WeakPolarHBondContact O-CB 3.5Å; I36-F40 PolarHBondContact O-N 3.07Å |
| 37 | L | 79.3 | Confident | 71.6 | Confident | 8 Ų | 8 | 46 Ų | 46 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.4 | -38.2 | 174 | -176.1 | 59.2 | 0 | 0 | 0 | 111.6 | L32 P33 F40 I41 R73 Y77 | L32-L37 HydrophobicContact CB-CB 4.29Å; L32-L37 HydrophobicContact CD1-CD1 4.45Å; P33-L37 PolarHBondContact O-N 3.31Å; L37-F40 HydrophobicContact CD1-CD1 4.41Å; L37-F40 PolarHBondContact O-N 3.32Å; L37-I41 HydrophobicContact CD1-CD1 4.24Å; L37-I41 HydrophobicContact CD1-CG1 4.39Å; L37-I41 HydrophobicContact CG-CD1 4.05Å; L37-I41 VanDerWaalsContact O-CG1 3.26Å; L37-I41 WeakPolarHBondContact O-CG1 3.38Å; L37-I41 PolarHBondContact O-N 3.31Å; L37-R73 HydrophobicContact CD2-CB 4.31Å; L37-Y77 HydrophobicContact CB-CD2 4.4Å; L37-Y77 HydrophobicContact CD2-CD2 3.74Å; L37-Y77 HydrophobicContact CD2-CG 3.91Å; L37-Y77 HydrophobicContact CG-CD2 4.1Å; L37-Y77 HydrophobicContact CG-CG 4.21Å |
| 38 | H | 82.6 | Confident | 73.4 | Confident | 30 Ų | 30 | 47 Ų | 47 | 14% | 0.139 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.1 | -55.8 | 172.5 | -177.2 | 69.5 | 0 | 0 | 0 | 111.8 | G34 D35 I36 F40 I41 V42 Y77 T87 E90 | G34-H38 PolarHBondContact O-N 3.19Å; D35-H38 WeakPolarHBondContact O-CB 3.46Å; D35-H38 PolarHBondContact O-N 2.89Å; I36-H38 VanDerWaalsContact C-N 3.31Å; I36-H38 PolarHBondContact O-N 2.94Å; H38-F40 VanDerWaalsContact C-N 3.28Å; H38-F40 PolarHBondContact O-N 3.34Å; H38-I41 PolarHBondContact O-N 2.96Å; H38-V42 WeakPolarHBondContact O-CG2 3.49Å; H38-V42 PolarHBondContact O-N 3.3Å; H38-Y77 HydrophobicContact CB-CE1 4.38Å; H38-Y77 HydrophobicContact CB-CE2 4.47Å; H38-Y77 VanDerWaalsContact CB-OH 3.24Å; H38-Y77 WeakPolarHBondContact CB-OH 3.36Å; H38-Y77 AromaticContact ND1-CZ 4Å; H38-Y77 PolarHBondContact ND1-OH 3.33Å; H38-T87 PolarHBondContact ND1-OG1 3.41Å; H38-E90 IonicContact CD2-OE2 2.7Å; H38-E90 IonicContact CE1-OE2 3.35Å; H38-E90 IonicContact NE2-OE2 3.55Å; H38-E90 PolarHBondContact NE2-OE2 3.49Å |
| 39 | L | 81.5 | Confident | 75 | Confident | 88 Ų | 88 | 46 Ų | 46 | 46% | 0.461 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.3 | -39.7 | -180 | -66.9 | 173.8 | 0 | 0 | 0 | 111.7 | D35 I36 I41 V42 Y43 | D35-L39 WeakPolarHBondContact O-CG 3.23Å; D35-L39 PolarHBondContact O-N 2.61Å; I36-L39 PolarHBondContact O-N 3.04Å; L39-I41 PolarHBondContact O-N 2.97Å; L39-V42 PolarHBondContact O-N 3.41Å; L39-Y43 HydrophobicContact CB-CD2 4.4Å; L39-Y43 HydrophobicContact CD2-CD2 3.92Å; L39-Y43 HydrophobicContact CD2-CE2 3.67Å; L39-Y43 WeakPolarHBondContact O-CB 3.39Å; L39-Y43 PolarHBondContact O-N 3.24Å |
| 40 | F | 83 | Confident | 76.8 | Confident | 15 Ų | 15 | 37.2 Ų | 37.2 | 7% | 0.066 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.8 | -45.5 | 174 | 177.3 | -97 | 0 | 0 | 0 | 111.5 | W23 L32 I36 L37 H38 V44 L45 F65 L70 | W23-F40 HydrophobicContact CZ3-CE2 4.15Å; L32-F40 HydrophobicContact CD1-CB 4.3Å; L32-F40 HydrophobicContact CD1-CG 4.49Å; I36-F40 WeakPolarHBondContact O-CB 3.5Å; I36-F40 PolarHBondContact O-N 3.07Å; L37-F40 HydrophobicContact CD1-CD1 4.41Å; L37-F40 PolarHBondContact O-N 3.32Å; H38-F40 VanDerWaalsContact C-N 3.28Å; H38-F40 PolarHBondContact O-N 3.34Å; F40-V44 HydrophobicContact CD2-CB 3.71Å; F40-V44 HydrophobicContact CD2-CG1 3.94Å; F40-V44 HydrophobicContact CD2-CG2 3.93Å; F40-V44 HydrophobicContact CE2-CB 3.85Å; F40-V44 HydrophobicContact CE2-CG1 3.57Å; F40-V44 HydrophobicContact CE2-CG2 4.43Å; F40-V44 HydrophobicContact CG-CB 4.36Å; F40-V44 HydrophobicContact CZ-CG1 4.29Å; F40-V44 CarbonylContact O-C 3.46Å; F40-V44 WeakPolarHBondContact O-CA 3.33Å; F40-V44 VanDerWaalsContact O-CB 3.23Å; F40-V44 WeakPolarHBondContact O-CB 3.39Å; F40-V44 PolarHBondContact O-N 2.96Å; F40-L45 HydrophobicContact CD1-CB 4.34Å; F40-L45 HydrophobicContact CE1-CB 3.98Å; F40-L45 HydrophobicContact CE1-CD1 4.41Å; F40-L45 HydrophobicContact CE1-CD2 4.33Å; F40-L45 HydrophobicContact CE1-CG 4.47Å; F40-L45 PolarHBondContact O-N 3.29Å; F40-F65 HydrophobicContact CZ-CZ 4.42Å; F40-L70 HydrophobicContact CE1-CD1 3.91Å; F40-L70 HydrophobicContact CE1-CD2 4.44Å; F40-L70 HydrophobicContact CZ-CD1 4.46Å; F40-L70 HydrophobicContact CZ-CD2 4.4Å |
| 41 | I | 85 | Confident | 78.3 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.182 | C | C | . | . | I | π-helix | trans | -65.3 | -47.2 | 179.2 | -68.4 | 165.9 | 0 | 0 | 0 | 111.2 | L37 H38 L39 L45 S46 C74 Y77 L78 T87 L99 | L37-I41 HydrophobicContact CD1-CD1 4.24Å; L37-I41 HydrophobicContact CD1-CG1 4.39Å; L37-I41 HydrophobicContact CG-CD1 4.05Å; L37-I41 VanDerWaalsContact O-CG1 3.26Å; L37-I41 WeakPolarHBondContact O-CG1 3.38Å; L37-I41 PolarHBondContact O-N 3.31Å; H38-I41 PolarHBondContact O-N 2.96Å; L39-I41 PolarHBondContact O-N 2.97Å; I41-L45 HydrophobicContact CG1-CD2 4.44Å; I41-S46 WeakPolarHBondContact O-CB 3.25Å; I41-S46 PolarHBondContact O-N 3.41Å; I41-S46 VanDerWaalsContact O-N 3.15Å; I41-C74 HydrophobicContact CD1-CB 4.45Å; I41-Y77 HydrophobicContact CD1-CD1 3.54Å; I41-Y77 HydrophobicContact CD1-CE1 4.21Å; I41-Y77 HydrophobicContact CD1-CG 4.06Å; I41-L78 HydrophobicContact CD1-CG 4.3Å; I41-L78 HydrophobicContact CG2-CD2 4.23Å; I41-T87 HydrophobicContact CB-CG2 4.35Å; I41-T87 HydrophobicContact CG2-CG2 3.52Å; I41-L99 HydrophobicContact CG2-CD1 3.85Å; I41-L99 HydrophobicContact CG2-CD2 3.78Å |
| 42 | V | 83.9 | Confident | 79.8 | Confident | 5 Ų | 5 | 34.8 Ų | 34.8 | 3% | 0.03 | 19% | 0.186 | C | C | . | . | I | π-helix | trans | -70.4 | -39.1 | -174.7 | 174.4 | 0 | 0 | 0 | 0 | 112.7 | H38 L39 S46 T87 E90 L91 | H38-V42 WeakPolarHBondContact O-CG2 3.49Å; H38-V42 PolarHBondContact O-N 3.3Å; L39-V42 PolarHBondContact O-N 3.41Å; V42-S46 WeakPolarHBondContact O-CB 3.38Å; V42-S46 PolarHBondContact O-OG 2.91Å; V42-T87 HydrophobicContact CG2-CG2 3.71Å; V42-E90 HydrophobicContact CG1-CB 4.1Å; V42-E90 HydrophobicContact CG1-CG 3.83Å; V42-E90 HydrophobicContact CG2-CB 4.41Å; V42-L91 HydrophobicContact CG1-CD2 4.42Å |
| 43 | Y | 83.4 | Confident | 80.9 | Confident | 92 Ų | 92 | 37.4 Ų | 37.4 | 36% | 0.361 | 20% | 0.198 | S | C | . | . | I | π-helix | trans | -112.3 | -18.8 | -169.5 | -64.5 | -66.7 | 0 | 0 | 0 | 114.8 | L7 L39 E90 | L7-Y43 HydrophobicContact CD1-CG 4.29Å; L7-Y43 VanDerWaalsContact CD2-O 3.3Å; L7-Y43 WeakPolarHBondContact CD2-O 3.42Å; L39-Y43 HydrophobicContact CB-CD2 4.4Å; L39-Y43 HydrophobicContact CD2-CD2 3.92Å; L39-Y43 HydrophobicContact CD2-CE2 3.67Å; L39-Y43 WeakPolarHBondContact O-CB 3.39Å; L39-Y43 PolarHBondContact O-N 3.24Å; Y43-E90 PolarHBondContact OH-OE1 2.96Å |
| 44 | V | 82.5 | Confident | 81.4 | Confident | 17 Ų | 17 | 34.6 Ų | 34.6 | 10% | 0.103 | 18% | 0.179 | C | C | . | . | I | π-helix | trans | -111.2 | -61.1 | -179.3 | -174.5 | 0 | 0 | 0 | 0 | 110.4 | L7 L11 F40 S46 M47 L50 | L7-V44 HydrophobicContact CD2-CG2 4.2Å; L11-V44 HydrophobicContact CD1-CB 4.33Å; L11-V44 HydrophobicContact CD1-CG1 3.94Å; L11-V44 HydrophobicContact CD1-CG2 4.1Å; L11-V44 HydrophobicContact CD2-CG1 3.59Å; L11-V44 HydrophobicContact CD2-CG2 4.26Å; L11-V44 HydrophobicContact CG-CG1 4.4Å; F40-V44 HydrophobicContact CD2-CB 3.71Å; F40-V44 HydrophobicContact CD2-CG1 3.94Å; F40-V44 HydrophobicContact CD2-CG2 3.93Å; F40-V44 HydrophobicContact CE2-CB 3.85Å; F40-V44 HydrophobicContact CE2-CG1 3.57Å; F40-V44 HydrophobicContact CE2-CG2 4.43Å; F40-V44 HydrophobicContact CG-CB 4.36Å; F40-V44 HydrophobicContact CZ-CG1 4.29Å; F40-V44 CarbonylContact O-C 3.46Å; F40-V44 WeakPolarHBondContact O-CA 3.33Å; F40-V44 VanDerWaalsContact O-CB 3.23Å; F40-V44 WeakPolarHBondContact O-CB 3.39Å; F40-V44 PolarHBondContact O-N 2.96Å; V44-S46 PolarHBondContact O-N 3.06Å; V44-M47 VanDerWaalsContact O-CB 3.28Å; V44-M47 WeakPolarHBondContact O-CB 3.24Å; V44-M47 WeakPolarHBondContact O-CG 3.49Å; V44-M47 PolarHBondContact O-N 2.94Å; V44-L50 HydrophobicContact CG1-CD2 3.87Å; V44-L50 VanDerWaalsContact O-CD2 3.25Å; V44-L50 WeakPolarHBondContact O-CD2 3.18Å |
| 45 | L | 85.2 | Confident | 81.9 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | I | π-helix | trans | -69.1 | -19.4 | -175.3 | -166.3 | 62.6 | 0 | 0 | 0 | 113 | F40 I41 M47 T51 C74 L99 N102 L103 L106 | F40-L45 HydrophobicContact CD1-CB 4.34Å; F40-L45 HydrophobicContact CE1-CB 3.98Å; F40-L45 HydrophobicContact CE1-CD1 4.41Å; F40-L45 HydrophobicContact CE1-CD2 4.33Å; F40-L45 HydrophobicContact CE1-CG 4.47Å; F40-L45 PolarHBondContact O-N 3.29Å; I41-L45 HydrophobicContact CG1-CD2 4.44Å; L45-M47 VanDerWaalsContact C-N 3.3Å; L45-T51 HydrophobicContact CD1-CG2 4.45Å; L45-C74 HydrophobicContact CD2-CB 4.42Å; L45-L99 HydrophobicContact CB-CD1 4Å; L45-L99 HydrophobicContact CD2-CD1 3.77Å; L45-L99 HydrophobicContact CG-CD1 3.71Å; L45-N102 HydrophobicContact CD1-CB 3.96Å; L45-N102 HydrophobicContact CG-CB 4.35Å; L45-N102 WeakPolarHBondContact O-CB 3.28Å; L45-N102 PolarHBondContact O-ND2 3.03Å; L45-L103 HydrophobicContact CD2-CD2 3.89Å; L45-L103 HydrophobicContact CD2-CG 4.38Å; L45-L106 HydrophobicContact CD1-CD1 4.17Å |
| 46 | S | 86 | Confident | 82 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -8.3 | 173.3 | 70.2 | 0 | 0 | 0 | 0 | 113.8 | I41 V42 V44 L91 Y95 C98 | I41-S46 WeakPolarHBondContact O-CB 3.25Å; I41-S46 PolarHBondContact O-N 3.41Å; I41-S46 VanDerWaalsContact O-N 3.15Å; V42-S46 WeakPolarHBondContact O-CB 3.38Å; V42-S46 PolarHBondContact O-OG 2.91Å; V44-S46 PolarHBondContact O-N 3.06Å; S46-L91 VanDerWaalsContact CB-CD2 3.44Å; S46-Y95 WeakPolarHBondContact O-CD1 3.35Å; S46-C98 WeakPolarHBondContact O-CB 3.42Å |
| 47 | M | 86.2 | Confident | 81.7 | Confident | 43 Ų | 43 | 38.6 Ų | 38.6 | 21% | 0.212 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -60.1 | 137.8 | -179.5 | -76.9 | -173.7 | 72.6 | 0 | 0 | 111.2 | N8 L11 V44 L45 A49 L50 N102 | N8-M47 WeakPolarHBondContact OD1-CE 3.34Å; L11-M47 HydrophobicContact CD1-SD 3.28Å; L11-M47 WeakPolarHBondContact CD1-SD 3.35Å; V44-M47 VanDerWaalsContact O-CB 3.28Å; V44-M47 WeakPolarHBondContact O-CB 3.24Å; V44-M47 WeakPolarHBondContact O-CG 3.49Å; V44-M47 PolarHBondContact O-N 2.94Å; L45-M47 VanDerWaalsContact C-N 3.3Å; M47-A49 PolarHBondContact O-N 3.11Å; M47-A49 VanDerWaalsContact O-N 3.14Å; M47-L50 HydrophobicContact CB-CB 4.06Å; M47-L50 PolarHBondContact O-N 3.18Å; M47-N102 PolarHBondContact O-ND2 3.45Å |
| 48 | P | 85.6 | Confident | 80.9 | Confident | 26 Ų | 26 | 39.3 Ų | 39.3 | 17% | 0.169 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | 123 | -178.3 | -23.9 | 32.3 | 0 | 0 | 0 | 112.1 | L50 Y95 L152 A155 | P48-L50 PolarHBondContact O-N 3.42Å; P48-Y95 HydrophobicContact CG-CE1 4.34Å; P48-L152 HydrophobicContact CB-CD1 4.48Å; P48-L152 HydrophobicContact CG-CD1 4.17Å; P48-A155 HydrophobicContact CB-CB 3.28Å; P48-A155 HydrophobicContact CG-CB 4.36Å |
| 49 | A | 85 | Confident | 79.6 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 24.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | M47 T51 W52 H53 H158 V159 | M47-A49 PolarHBondContact O-N 3.11Å; M47-A49 VanDerWaalsContact O-N 3.14Å; A49-T51 PolarHBondContact O-N 2.65Å; A49-W52 HydrophobicContact CB-CB 4.19Å; A49-W52 WeakPolarHBondContact O-CA 3.36Å; A49-W52 VanDerWaalsContact O-CB 3.27Å; A49-W52 WeakPolarHBondContact O-CB 3.24Å; A49-W52 PolarHBondContact O-N 3.11Å; A49-H53 PolarHBondContact O-CD2 2.94Å; A49-H53 PolarHBondContact O-N 3.24Å; A49-H158 HydrophobicContact CB-CB 3.49Å; A49-H158 VanDerWaalsContact CB-CB 3.49Å; A49-V159 HydrophobicContact CB-CG2 4.16Å |
| 50 | L | 85.9 | Confident | 78.1 | Confident | 12 Ų | 12 | 48.8 Ų | 48.8 | 6% | 0.063 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -47.8 | -57.1 | -176.8 | 174.1 | 64.4 | 0 | 0 | 0 | 112.7 | V44 M47 P48 W52 H53 L54 N102 | V44-L50 HydrophobicContact CG1-CD2 3.87Å; V44-L50 VanDerWaalsContact O-CD2 3.25Å; V44-L50 WeakPolarHBondContact O-CD2 3.18Å; M47-L50 HydrophobicContact CB-CB 4.06Å; M47-L50 PolarHBondContact O-N 3.18Å; P48-L50 PolarHBondContact O-N 3.42Å; L50-W52 PolarHBondContact O-N 2.91Å; L50-H53 PolarHBondContact O-N 3.33Å; L50-H53 VanDerWaalsContact O-N 3.13Å; L50-L54 HydrophobicContact CD1-CD1 3.97Å; L50-L54 HydrophobicContact CD1-CD2 4.35Å; L50-L54 HydrophobicContact CD1-CG 4Å; L50-L54 HydrophobicContact CD2-CD1 4.48Å; L50-L54 HydrophobicContact CG-CD1 3.9Å; L50-L54 HydrophobicContact CG-CG 4.28Å; L50-L54 VanDerWaalsContact O-CG 3.3Å; L50-L54 WeakPolarHBondContact O-CG 3.4Å; L50-L54 PolarHBondContact O-N 2.9Å; L50-N102 PolarHBondContact N-OD1 3.28Å; L50-N102 VanDerWaalsContact N-OD1 3.14Å |
| 51 | T | 83.6 | Confident | 76.5 | Confident | 9 Ų | 9 | 49.7 Ų | 49.7 | 6% | 0.055 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.4 | -29.3 | -176.4 | 56.9 | 0 | 0 | 0 | 0 | 112.2 | L45 A49 K55 N102 H105 L106 Q162 | L45-T51 HydrophobicContact CD1-CG2 4.45Å; A49-T51 PolarHBondContact O-N 2.65Å; T51-K55 WeakPolarHBondContact O-CB 3.38Å; T51-K55 PolarHBondContact O-N 2.84Å; T51-K55 VanDerWaalsContact O-N 3.12Å; T51-N102 HydrophobicContact CG2-CB 3.88Å; T51-N102 PolarHBondContact N-OD1 2.77Å; T51-N102 PolarHBondContact OG1-OD1 2.85Å; T51-H105 WeakPolarHBondContact CB-ND1 3.5Å; T51-H105 PolarHBondContact O-CE1 3.4Å; T51-H105 VanDerWaalsContact O-CE1 3.23Å; T51-H105 PolarHBondContact O-ND1 3.26Å; T51-H105 VanDerWaalsContact OG1-CB 3.29Å; T51-H105 WeakPolarHBondContact OG1-CB 3.33Å; T51-H105 PolarHBondContact OG1-ND1 2.87Å; T51-L106 HydrophobicContact CG2-CD2 3.99Å; T51-L106 HydrophobicContact CG2-CG 4.17Å; T51-Q162 PolarHBondContact OG1-NE2 3.37Å |
| 52 | W | 82.6 | Confident | 74.8 | Confident | 46 Ų | 46 | 56.3 Ų | 56.3 | 17% | 0.174 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67 | -48.6 | 174 | -179.5 | -88.1 | 0 | 0 | 0 | 111.2 | A49 L50 K55 N56 H105 H158 K161 Q162 | A49-W52 HydrophobicContact CB-CB 4.19Å; A49-W52 WeakPolarHBondContact O-CA 3.36Å; A49-W52 VanDerWaalsContact O-CB 3.27Å; A49-W52 WeakPolarHBondContact O-CB 3.24Å; A49-W52 PolarHBondContact O-N 3.11Å; L50-W52 PolarHBondContact O-N 2.91Å; W52-K55 PolarHBondContact O-N 2.96Å; W52-N56 PolarHBondContact NE1-ND2 2.87Å; W52-N56 VanDerWaalsContact NE1-ND2 3.14Å; W52-N56 PolarHBondContact O-N 2.73Å; W52-N56 PolarHBondContact O-ND2 2.75Å; W52-H105 PolarHBondContact N-ND1 3.43Å; W52-H158 AromaticContact CD1-ND1 3.79Å; W52-H158 HydrophobicContact CG-CB 4.45Å; W52-H158 AromaticContact NE1-ND1 3.4Å; W52-H158 PolarHBondContact NE1-ND1 3.48Å; W52-K161 HydrophobicContact CE3-CB 4.39Å; W52-K161 HydrophobicContact CH2-CB 3.95Å; W52-K161 HydrophobicContact CH2-CD 3.87Å; W52-K161 HydrophobicContact CH2-CG 4.44Å; W52-K161 HydrophobicContact CZ2-CB 4.45Å; W52-K161 HydrophobicContact CZ2-CD 3.79Å; W52-K161 HydrophobicContact CZ3-CB 3.91Å; W52-Q162 HydrophobicContact CB-CG 4.13Å; W52-Q162 HydrophobicContact CE3-CG 4.23Å |
| 53 | H | 82.1 | Confident | 73.1 | Confident | 71 Ų | 71 | 61.3 Ų | 61.3 | 33% | 0.329 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 176 | -67.2 | -62.4 | 0 | 0 | 0 | 111.9 | A49 L50 K55 N56 M57 | A49-H53 PolarHBondContact O-CD2 2.94Å; A49-H53 PolarHBondContact O-N 3.24Å; L50-H53 PolarHBondContact O-N 3.33Å; L50-H53 VanDerWaalsContact O-N 3.13Å; H53-K55 PolarHBondContact O-N 3.37Å; H53-N56 PolarHBondContact O-N 3.13Å; H53-N56 VanDerWaalsContact O-N 3.15Å; H53-M57 WeakPolarHBondContact O-CB 3.47Å; H53-M57 WeakPolarHBondContact O-CG 3.43Å; H53-M57 PolarHBondContact O-N 2.77Å |
| 54 | L | 77 | Confident | 71.4 | Confident | 14 Ų | 14 | 59 Ų | 59 | 7% | 0.073 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.6 | -45 | 177.4 | -67.9 | 179 | 0 | 0 | 0 | 112.5 | L15 L50 N56 A58 F65 | L15-L54 HydrophobicContact CD1-CD2 3.84Å; L15-L54 HydrophobicContact CD2-CD2 3.23Å; L15-L54 HydrophobicContact CG-CD2 4.16Å; L50-L54 HydrophobicContact CD1-CD1 3.97Å; L50-L54 HydrophobicContact CD1-CD2 4.35Å; L50-L54 HydrophobicContact CD1-CG 4Å; L50-L54 HydrophobicContact CD2-CD1 4.48Å; L50-L54 HydrophobicContact CG-CD1 3.9Å; L50-L54 HydrophobicContact CG-CG 4.28Å; L50-L54 VanDerWaalsContact O-CG 3.3Å; L50-L54 WeakPolarHBondContact O-CG 3.4Å; L50-L54 PolarHBondContact O-N 2.9Å; L54-N56 VanDerWaalsContact C-N 3.29Å; L54-N56 PolarHBondContact O-N 2.88Å; L54-A58 PolarHBondContact O-N 2.83Å; L54-A58 VanDerWaalsContact O-N 3.08Å; L54-F65 HydrophobicContact CD1-CD1 4.08Å; L54-F65 HydrophobicContact CD1-CE1 3.5Å; L54-F65 VanDerWaalsContact CD1-CE1 3.5Å; L54-F65 HydrophobicContact CD1-CZ 4.29Å |
| 55 | K | 74.7 | Confident | 69.8 | Low | 69 Ų | 69 | 58.4 Ų | 58.4 | 30% | 0.3 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.4 | -38.6 | 177.3 | 179.1 | 179.1 | 175.1 | -174.3 | 0 | 112.4 | T51 W52 H53 H105 M109 | T51-K55 WeakPolarHBondContact O-CB 3.38Å; T51-K55 PolarHBondContact O-N 2.84Å; T51-K55 VanDerWaalsContact O-N 3.12Å; W52-K55 PolarHBondContact O-N 2.96Å; H53-K55 PolarHBondContact O-N 3.37Å; K55-H105 VanDerWaalsContact CD-NE2 3.27Å; K55-H105 WeakPolarHBondContact CD-NE2 3.47Å; K55-M109 HydrophobicContact CD-SD 4.13Å |
| 56 | N | 73 | Confident | 68.2 | Low | 100 Ų | 100 | 60.7 Ų | 60.7 | 54% | 0.535 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -81.9 | -35 | -177.6 | -69.5 | -21.3 | 0 | 0 | 0 | 113.1 | W52 H53 L54 | W52-N56 PolarHBondContact NE1-ND2 2.87Å; W52-N56 VanDerWaalsContact NE1-ND2 3.14Å; W52-N56 PolarHBondContact O-N 2.73Å; W52-N56 PolarHBondContact O-ND2 2.75Å; H53-N56 PolarHBondContact O-N 3.13Å; H53-N56 VanDerWaalsContact O-N 3.15Å; L54-N56 VanDerWaalsContact C-N 3.29Å; L54-N56 PolarHBondContact O-N 2.88Å |
| 57 | M | 68.2 | Low | 66.6 | Low | 161 Ų | 161 | 64.2 Ų | 64.2 | 79% | 0.793 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -77.6 | -30.2 | -179.4 | -72 | -168.2 | 170.1 | 0 | 0 | 112.9 | H53 | H53-M57 WeakPolarHBondContact O-CB 3.47Å; H53-M57 WeakPolarHBondContact O-CG 3.43Å; H53-M57 PolarHBondContact O-N 2.77Å |
| 58 | A | 61.4 | Low | 65.3 | Low | 23 Ų | 23 | 63.4 Ų | 63.4 | 19% | 0.19 | 33% | 0.327 | C | S | . | . | trans | -128.4 | 89.2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L54 N60 L61 | L54-A58 PolarHBondContact O-N 2.83Å; L54-A58 VanDerWaalsContact O-N 3.08Å; A58-N60 PolarHBondContact O-N 3.2Å; A58-N60 VanDerWaalsContact O-N 3.11Å; A58-L61 HydrophobicContact CB-CB 3.65Å; A58-L61 HydrophobicContact CB-CD1 3.31Å; A58-L61 HydrophobicContact CB-CG 4.06Å; A58-L61 PolarHBondContact O-N 3.25Å; A58-L61 VanDerWaalsContact O-N 3.14Å | ||
| 59 | K | 55.5 | Low | 64.4 | Low | 180 Ų | 180 | 63.4 Ų | 63.4 | 78% | 0.783 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -30.9 | 173.8 | -70.2 | -177.7 | 179.8 | 177.4 | 0 | 112.9 | ||
| 60 | N | 51.3 | Low | 63.9 | Low | 137 Ų | 137 | 63.5 Ų | 63.5 | 73% | 0.733 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -12.3 | -177.3 | -66.2 | -12.1 | 0 | 0 | 0 | 114.7 | A58 K62 | A58-N60 PolarHBondContact O-N 3.2Å; A58-N60 VanDerWaalsContact O-N 3.11Å; N60-K62 PolarHBondContact O-N 3.33Å |
| 61 | L | 49.1 | Very low | 63.5 | Low | 34 Ų | 34 | 63.2 Ų | 63.2 | 18% | 0.178 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -6.8 | 179.9 | -114.1 | 114.9 | 0 | 0 | 0 | 113.3 | L20 A58 T63 F65 | L20-L61 HydrophobicContact CD2-CD1 4.43Å; L20-L61 HydrophobicContact CD2-CG 4.1Å; A58-L61 HydrophobicContact CB-CB 3.65Å; A58-L61 HydrophobicContact CB-CD1 3.31Å; A58-L61 HydrophobicContact CB-CG 4.06Å; A58-L61 PolarHBondContact O-N 3.25Å; A58-L61 VanDerWaalsContact O-N 3.14Å; L61-T63 PolarHBondContact O-N 2.68Å; L61-T63 VanDerWaalsContact O-N 3.08Å; L61-F65 HydrophobicContact CD2-CB 3.49Å; L61-F65 VanDerWaalsContact CD2-CB 3.49Å; L61-F65 HydrophobicContact CD2-CD1 4.08Å; L61-F65 HydrophobicContact CD2-CG 3.93Å |
| 62 | K | 48.8 | Very low | 63.1 | Low | 139 Ų | 139 | 64.2 Ų | 64.2 | 60% | 0.604 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -28.9 | -174.6 | -79.1 | -176.8 | 176.9 | -180 | 0 | 114.4 | N60 | N60-K62 PolarHBondContact O-N 3.33Š|
| 63 | T | 48.1 | Very low | 62.8 | Low | 109 Ų | 109 | 64.4 Ų | 64.4 | 67% | 0.669 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -29.3 | -169.5 | 46.5 | 0 | 0 | 0 | 0 | 114.8 | L61 | L61-T63 PolarHBondContact O-N 2.68Å; L61-T63 VanDerWaalsContact O-N 3.08Å |
| 64 | T | 48.7 | Very low | 62.7 | Low | 43 Ų | 43 | 61 Ų | 61 | 26% | 0.264 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | -40.5 | -162.3 | -17.1 | 0 | 0 | 0 | 0 | 114.3 | V24 S27 L66 | V24-T64 HydrophobicContact CG2-CG2 3.71Å; S27-T64 PolarHBondContact OG-O 2.97Å; T64-L66 VanDerWaalsContact C-N 3.27Å; T64-L66 PolarHBondContact O-N 2.92Å |
| 65 | F | 47.2 | Very low | 62.7 | Low | 6 Ų | 6 | 60.9 Ų | 60.9 | 3% | 0.026 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -22.8 | -179.8 | 179.4 | -123.4 | 0 | 0 | 0 | 112.9 | W23 F40 L54 L61 L70 | W23-F65 HydrophobicContact CB-CD2 4.02Å; W23-F65 AromaticContact CD2-CD2 3.8Å; W23-F65 HydrophobicContact CD2-CD2 3.8Å; W23-F65 AromaticContact CD2-CE2 3.89Å; W23-F65 HydrophobicContact CD2-CE2 3.89Å; W23-F65 AromaticContact CE3-CD2 3.24Å; W23-F65 HydrophobicContact CE3-CD2 3.24Å; W23-F65 AromaticContact CE3-CE2 2.9Å; W23-F65 HydrophobicContact CE3-CE2 2.9Å; W23-F65 HydrophobicContact CE3-CG 4.35Å; W23-F65 AromaticContact CE3-CZ 3.74Å; W23-F65 HydrophobicContact CE3-CZ 3.74Å; W23-F65 HydrophobicContact CG-CD2 4.19Å; W23-F65 HydrophobicContact CH2-CE2 4.09Å; W23-F65 HydrophobicContact CH2-CZ 4.09Å; W23-F65 AromaticContact CZ3-CD2 3.82Å; W23-F65 HydrophobicContact CZ3-CD2 3.82Å; W23-F65 HydrophobicContact CZ3-CE1 4.41Å; W23-F65 AromaticContact CZ3-CE2 3.01Å; W23-F65 HydrophobicContact CZ3-CE2 3.01Å; W23-F65 AromaticContact CZ3-CZ 3.34Å; W23-F65 HydrophobicContact CZ3-CZ 3.34Å; F40-F65 HydrophobicContact CZ-CZ 4.42Å; L54-F65 HydrophobicContact CD1-CD1 4.08Å; L54-F65 HydrophobicContact CD1-CE1 3.5Å; L54-F65 VanDerWaalsContact CD1-CE1 3.5Å; L54-F65 HydrophobicContact CD1-CZ 4.29Å; L61-F65 HydrophobicContact CD2-CB 3.49Å; L61-F65 VanDerWaalsContact CD2-CB 3.49Å; L61-F65 HydrophobicContact CD2-CD1 4.08Å; L61-F65 HydrophobicContact CD2-CG 3.93Å; F65-L70 HydrophobicContact CE2-CD2 4.24Å; F65-L70 HydrophobicContact CZ-CD2 4.17Å |
| 66 | L | 52.1 | Low | 62.9 | Low | 50 Ų | 50 | 63.9 Ų | 63.9 | 26% | 0.262 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 31.7 | -167.8 | -61.6 | 172.4 | 0 | 0 | 0 | 112.7 | T64 G68 L106 M109 | T64-L66 VanDerWaalsContact C-N 3.27Å; T64-L66 PolarHBondContact O-N 2.92Å; L66-G68 PolarHBondContact O-N 3.04Å; L66-L106 HydrophobicContact CD2-CD2 3.15Å; L66-M109 HydrophobicContact CD1-CB 4.37Å; L66-M109 HydrophobicContact CD1-CE 3.67Å; L66-M109 HydrophobicContact CD1-CG 4.19Å |
| 67 | N | 53.2 | Low | 63.3 | Low | 76 Ų | 76 | 59.9 Ų | 59.9 | 41% | 0.406 | 31% | 0.311 | S | S | . | . | trans | -52.9 | 134.6 | 163.7 | -78.9 | -26.7 | 0 | 0 | 0 | 108.1 | T69 L70 | N67-T69 PolarHBondContact O-N 3.49Å; N67-T69 PolarHBondContact O-OG1 3.33Å; N67-L70 PolarHBondContact O-N 2.62Å | ||
| 68 | G | 57.4 | Low | 63.9 | Low | 26 Ų | 26 | 52.3 Ų | 52.3 | 27% | 0.268 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -3.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L66 S72 R118 | L66-G68 PolarHBondContact O-N 3.04Å; G68-S72 PolarHBondContact O-N 3.31Å; G68-S72 PolarHBondContact O-OG 3Å; G68-R118 VanDerWaalsContact C-NH1 3.27Å; G68-R118 PolarHBondContact O-NH1 3.24Å |
| 69 | T | 67.6 | Low | 64.6 | Low | 26 Ų | 26 | 52.4 Ų | 52.4 | 16% | 0.16 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.3 | -36.5 | 168.9 | 54.5 | 0 | 0 | 0 | 0 | 113.1 | S27 N67 S72 R73 | S27-T69 PolarHBondContact O-OG1 3.33Å; N67-T69 PolarHBondContact O-N 3.49Å; N67-T69 PolarHBondContact O-OG1 3.33Å; T69-S72 WeakPolarHBondContact CA-OG 3.37Å; T69-S72 PolarHBondContact O-OG 2.78Å; T69-R73 VanDerWaalsContact O-CB 3.29Å; T69-R73 WeakPolarHBondContact O-CB 3.44Å; T69-R73 WeakPolarHBondContact O-CD 3.08Å; T69-R73 WeakPolarHBondContact O-CG 3.42Å; T69-R73 PolarHBondContact O-N 3.29Å |
| 70 | L | 73.9 | Confident | 65.7 | Low | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.016 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.4 | -50 | -178.8 | -179.7 | 59.7 | 0 | 0 | 0 | 111.1 | V26 F40 F65 N67 R73 C74 L106 | V26-L70 HydrophobicContact CG1-CD1 3.89Å; F40-L70 HydrophobicContact CE1-CD1 3.91Å; F40-L70 HydrophobicContact CE1-CD2 4.44Å; F40-L70 HydrophobicContact CZ-CD1 4.46Å; F40-L70 HydrophobicContact CZ-CD2 4.4Å; F65-L70 HydrophobicContact CE2-CD2 4.24Å; F65-L70 HydrophobicContact CZ-CD2 4.17Å; N67-L70 PolarHBondContact O-N 2.62Å; L70-R73 PolarHBondContact O-N 2.8Å; L70-C74 WeakPolarHBondContact O-CB 3.44Å; L70-C74 PolarHBondContact O-N 3.09Å; L70-C74 PolarHBondContact O-SG 3.15Å; L70-C74 VanDerWaalsContact O-SG 3.34Å; L70-L106 HydrophobicContact CD2-CD1 4.41Å |
| 71 | L | 77.9 | Confident | 66.7 | Low | 5 Ų | 5 | 43.7 Ų | 43.7 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.5 | -48.6 | 177.8 | -178.2 | 65.4 | 0 | 0 | 0 | 110.8 | R73 C74 T75 L103 L106 V107 E110 V122 | L71-R73 VanDerWaalsContact C-N 3.29Å; L71-R73 PolarHBondContact O-N 2.79Å; L71-C74 PolarHBondContact O-N 2.87Å; L71-T75 HydrophobicContact CD1-CG2 3.76Å; L71-T75 HydrophobicContact CG-CG2 4.11Å; L71-T75 WeakPolarHBondContact O-CB 3.28Å; L71-T75 WeakPolarHBondContact O-CG2 3.42Å; L71-T75 PolarHBondContact O-N 2.81Å; L71-T75 PolarHBondContact O-OG1 3.2Å; L71-L103 HydrophobicContact CD1-CD2 4.19Å; L71-L106 HydrophobicContact CB-CB 4.47Å; L71-L106 HydrophobicContact CD1-CB 3.98Å; L71-L106 HydrophobicContact CD1-CD1 4.47Å; L71-V107 HydrophobicContact CD1-CG2 4.11Å; L71-V107 HydrophobicContact CD2-CB 4.39Å; L71-V107 HydrophobicContact CD2-CG2 3.77Å; L71-E110 HydrophobicContact CD2-CB 4.44Å; L71-E110 WeakPolarHBondContact CD2-OE2 3.19Å; L71-V122 HydrophobicContact CD2-CG1 4.1Å; L71-V122 HydrophobicContact CD2-CG2 3.71Å; L71-V122 HydrophobicContact CG-CG2 4.46Å |
| 72 | S | 75 | Confident | 68.1 | Low | 30 Ų | 30 | 46.9 Ų | 46.9 | 21% | 0.21 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.6 | -40.4 | -179.4 | 68.5 | 0 | 0 | 0 | 0 | 112.1 | G68 T69 T75 E76 R118 | G68-S72 PolarHBondContact O-N 3.31Å; G68-S72 PolarHBondContact O-OG 3Å; T69-S72 WeakPolarHBondContact CA-OG 3.37Å; T69-S72 PolarHBondContact O-OG 2.78Å; S72-T75 WeakPolarHBondContact CA-OG1 3.14Å; S72-T75 PolarHBondContact O-OG1 3.49Å; S72-E76 WeakPolarHBondContact O-CB 3.2Å; S72-E76 PolarHBondContact O-N 3.14Å; S72-R118 PolarHBondContact OG-NH1 2.86Å |
| 73 | R | 76.2 | Confident | 69.5 | Low | 51 Ų | 51 | 46.1 Ų | 46.1 | 19% | 0.192 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -73.1 | -43.1 | -179.7 | -68.3 | 175.6 | 79.7 | -129.1 | -10.1 | 112.3 | V26 G31 L32 L37 T69 L70 L71 T75 E76 Y77 | V26-R73 PolarHBondContact O-NH1 3.03Å; G31-R73 VanDerWaalsContact CA-CZ 3.41Å; G31-R73 VanDerWaalsContact CA-NH1 3.27Å; L32-R73 VanDerWaalsContact N-NH2 3.18Å; L32-R73 PolarHBondContact O-NH2 3.22Å; L37-R73 HydrophobicContact CD2-CB 4.31Å; T69-R73 VanDerWaalsContact O-CB 3.29Å; T69-R73 WeakPolarHBondContact O-CB 3.44Å; T69-R73 WeakPolarHBondContact O-CD 3.08Å; T69-R73 WeakPolarHBondContact O-CG 3.42Å; T69-R73 PolarHBondContact O-N 3.29Å; L70-R73 PolarHBondContact O-N 2.8Å; L71-R73 VanDerWaalsContact C-N 3.29Å; L71-R73 PolarHBondContact O-N 2.79Å; R73-T75 VanDerWaalsContact C-N 3.34Å; R73-E76 PolarHBondContact O-N 2.73Å; R73-Y77 WeakPolarHBondContact O-CB 3.37Å; R73-Y77 PolarHBondContact O-N 3.08Å |
| 74 | C | 79.8 | Confident | 70.8 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.4 | -43.7 | 174.2 | -71.9 | 0 | 0 | 0 | 0 | 111.2 | I41 L45 L70 L71 Y77 L78 L103 | I41-C74 HydrophobicContact CD1-CB 4.45Å; L45-C74 HydrophobicContact CD2-CB 4.42Å; L70-C74 WeakPolarHBondContact O-CB 3.44Å; L70-C74 PolarHBondContact O-N 3.09Å; L70-C74 PolarHBondContact O-SG 3.15Å; L70-C74 VanDerWaalsContact O-SG 3.34Å; L71-C74 PolarHBondContact O-N 2.87Å; C74-Y77 PolarHBondContact O-N 2.91Å; C74-L78 VanDerWaalsContact O-CB 3.3Å; C74-L78 WeakPolarHBondContact O-CB 3.17Å; C74-L78 VanDerWaalsContact O-CG 3.23Å; C74-L78 WeakPolarHBondContact O-CG 3.34Å; C74-L78 PolarHBondContact O-N 3.04Å; C74-L103 HydrophobicContact CB-CD2 4.11Å |
| 75 | T | 78.5 | Confident | 72.2 | Confident | 10 Ų | 10 | 45.1 Ų | 45.1 | 6% | 0.061 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.8 | -42.1 | 179 | 54.7 | 0 | 0 | 0 | 0 | 112.1 | L71 S72 R73 C79 F125 | L71-T75 HydrophobicContact CD1-CG2 3.76Å; L71-T75 HydrophobicContact CG-CG2 4.11Å; L71-T75 WeakPolarHBondContact O-CB 3.28Å; L71-T75 WeakPolarHBondContact O-CG2 3.42Å; L71-T75 PolarHBondContact O-N 2.81Å; L71-T75 PolarHBondContact O-OG1 3.2Å; S72-T75 WeakPolarHBondContact CA-OG1 3.14Å; S72-T75 PolarHBondContact O-OG1 3.49Å; R73-T75 VanDerWaalsContact C-N 3.34Å; T75-C79 VanDerWaalsContact O-CB 3.23Å; T75-C79 WeakPolarHBondContact O-CB 3.28Å; T75-C79 PolarHBondContact O-N 3.22Å; T75-C79 PolarHBondContact O-SG 3.49Å; T75-F125 VanDerWaalsContact CB-CD2 3.49Å; T75-F125 HydrophobicContact CG2-CB 4Å; T75-F125 HydrophobicContact CG2-CD1 3.47Å; T75-F125 VanDerWaalsContact CG2-CD1 3.47Å; T75-F125 HydrophobicContact CG2-CD2 3.71Å; T75-F125 HydrophobicContact CG2-CE1 3.79Å; T75-F125 HydrophobicContact CG2-CE2 4.03Å; T75-F125 HydrophobicContact CG2-CG 3.42Å; T75-F125 VanDerWaalsContact CG2-CG 3.42Å; T75-F125 HydrophobicContact CG2-CZ 4.05Å |
| 76 | E | 78.1 | Confident | 73.9 | Confident | 132 Ų | 132 | 46.5 Ų | 46.5 | 62% | 0.617 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -61.4 | -45.9 | 173.2 | -175.7 | -178.9 | -177 | 0 | 0 | 111.9 | S72 R73 C79 T80 | S72-E76 WeakPolarHBondContact O-CB 3.2Å; S72-E76 PolarHBondContact O-N 3.14Å; R73-E76 PolarHBondContact O-N 2.73Å; E76-C79 WeakPolarHBondContact O-CB 3.47Å; E76-C79 PolarHBondContact O-N 2.91Å; E76-C79 VanDerWaalsContact O-N 3.11Å; E76-T80 PolarHBondContact O-N 2.89Å; E76-T80 PolarHBondContact O-OG1 3.49Å; E76-T80 VanDerWaalsContact O-OG1 3.11Å |
| 77 | Y | 80.5 | Confident | 75.4 | Confident | 17 Ų | 17 | 44.1 Ų | 44.1 | 7% | 0.067 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.8 | -51.7 | 177.8 | -175.3 | -83.3 | 0 | 0 | 0 | 111.4 | G34 L37 H38 I41 R73 C74 C79 T80 R83 | G34-Y77 VanDerWaalsContact O-CE2 3.27Å; G34-Y77 WeakPolarHBondContact O-CE2 3.23Å; L37-Y77 HydrophobicContact CB-CD2 4.4Å; L37-Y77 HydrophobicContact CD2-CD2 3.74Å; L37-Y77 HydrophobicContact CD2-CG 3.91Å; L37-Y77 HydrophobicContact CG-CD2 4.1Å; L37-Y77 HydrophobicContact CG-CG 4.21Å; H38-Y77 HydrophobicContact CB-CE1 4.38Å; H38-Y77 HydrophobicContact CB-CE2 4.47Å; H38-Y77 VanDerWaalsContact CB-OH 3.24Å; H38-Y77 WeakPolarHBondContact CB-OH 3.36Å; H38-Y77 AromaticContact ND1-CZ 4Å; H38-Y77 PolarHBondContact ND1-OH 3.33Å; I41-Y77 HydrophobicContact CD1-CD1 3.54Å; I41-Y77 HydrophobicContact CD1-CE1 4.21Å; I41-Y77 HydrophobicContact CD1-CG 4.06Å; R73-Y77 WeakPolarHBondContact O-CB 3.37Å; R73-Y77 PolarHBondContact O-N 3.08Å; C74-Y77 PolarHBondContact O-N 2.91Å; Y77-C79 PolarHBondContact O-N 2.96Å; Y77-T80 PolarHBondContact O-N 3.4Å; Y77-T80 VanDerWaalsContact O-N 3.13Å; Y77-R83 HydrophobicContact CD1-CB 4.47Å; Y77-R83 HydrophobicContact CE1-CB 3.87Å; Y77-R83 HydrophobicContact CE2-CB 4.36Å; Y77-R83 HydrophobicContact CE2-CG 4.26Å |
| 78 | L | 81 | Confident | 76.8 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67 | -17.9 | 177.3 | -70.5 | 173.9 | 0 | 0 | 0 | 112.9 | I41 C74 R84 T87 F88 L103 F125 | I41-L78 HydrophobicContact CD1-CG 4.3Å; I41-L78 HydrophobicContact CG2-CD2 4.23Å; C74-L78 VanDerWaalsContact O-CB 3.3Å; C74-L78 WeakPolarHBondContact O-CB 3.17Å; C74-L78 VanDerWaalsContact O-CG 3.23Å; C74-L78 WeakPolarHBondContact O-CG 3.34Å; C74-L78 PolarHBondContact O-N 3.04Å; L78-R84 WeakPolarHBondContact O-CB 3.28Å; L78-R84 WeakPolarHBondContact O-CD 3.45Å; L78-R84 WeakPolarHBondContact O-CG 3.35Å; L78-T87 HydrophobicContact CD2-CG2 4.02Å; L78-F88 HydrophobicContact CD2-CE2 4.18Å; L78-L103 HydrophobicContact CD1-CD1 3.72Å; L78-F125 HydrophobicContact CB-CE2 3.76Å; L78-F125 HydrophobicContact CB-CZ 4.23Å; L78-F125 HydrophobicContact CD1-CE2 4.28Å; L78-F125 HydrophobicContact CD1-CZ 3.9Å |
| 79 | C | 76.3 | Confident | 78 | Confident | 25 Ų | 25 | 45.1 Ų | 45.1 | 17% | 0.169 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -81.1 | -16.8 | 174.4 | -81.4 | 0 | 0 | 0 | 0 | 114.1 | T75 E76 Y77 R128 | T75-C79 VanDerWaalsContact O-CB 3.23Å; T75-C79 WeakPolarHBondContact O-CB 3.28Å; T75-C79 PolarHBondContact O-N 3.22Å; T75-C79 PolarHBondContact O-SG 3.49Å; E76-C79 WeakPolarHBondContact O-CB 3.47Å; E76-C79 PolarHBondContact O-N 2.91Å; E76-C79 VanDerWaalsContact O-N 3.11Å; Y77-C79 PolarHBondContact O-N 2.96Å; C79-R128 PolarHBondContact O-NH1 3.17Å; C79-R128 PolarHBondContact SG-NE 3.24Å; C79-R128 VanDerWaalsContact SG-NE 3.4Å; C79-R128 PolarHBondContact SG-NH1 3.06Å |
| 80 | T | 79.3 | Confident | 78.9 | Confident | 56 Ų | 56 | 47.6 Ų | 47.6 | 34% | 0.344 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -92 | 123.1 | -177 | -52.1 | 0 | 0 | 0 | 0 | 110.8 | E76 Y77 R83 R84 | E76-T80 PolarHBondContact O-N 2.89Å; E76-T80 PolarHBondContact O-OG1 3.49Å; E76-T80 VanDerWaalsContact O-OG1 3.11Å; Y77-T80 PolarHBondContact O-N 3.4Å; Y77-T80 VanDerWaalsContact O-N 3.13Å; T80-R83 WeakPolarHBondContact O-CB 3.12Å; T80-R83 PolarHBondContact O-N 3.49Å; T80-R84 PolarHBondContact O-N 3.31Å |
| 81 | S | 72.4 | Confident | 79.3 | Confident | 79 Ų | 79 | 48.4 Ų | 48.4 | 55% | 0.552 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | 135.9 | 167.9 | -170.9 | 0 | 0 | 0 | 0 | 108.9 | ||
| 82 | P | 78.2 | Confident | 79.5 | Confident | 100 Ų | 100 | 52.3 Ų | 52.3 | 65% | 0.649 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -93.3 | -2.3 | 11.5 | 36 | -35.7 | 0 | 0 | 0 | 115.8 | R84 S85 G86 | P82-R84 VanDerWaalsContact C-N 3.26Å; P82-R84 PolarHBondContact O-N 2.86Å; P82-S85 PolarHBondContact O-N 2.77Å; P82-G86 PolarHBondContact O-N 2.91Å |
| 83 | R | 78.5 | Confident | 79.5 | Confident | 123 Ų | 123 | 56.4 Ų | 56.4 | 46% | 0.464 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -48.3 | -47.2 | -177.4 | -66.7 | 176.1 | 177.9 | 174.1 | 0.6 | 112.5 | Y77 T80 S85 G86 T87 | Y77-R83 HydrophobicContact CD1-CB 4.47Å; Y77-R83 HydrophobicContact CE1-CB 3.87Å; Y77-R83 HydrophobicContact CE2-CB 4.36Å; Y77-R83 HydrophobicContact CE2-CG 4.26Å; T80-R83 WeakPolarHBondContact O-CB 3.12Å; T80-R83 PolarHBondContact O-N 3.49Å; R83-S85 PolarHBondContact O-N 2.94Å; R83-G86 PolarHBondContact O-N 3.17Å; R83-T87 PolarHBondContact O-N 3.08Å; R83-T87 PolarHBondContact O-OG1 3.1Å; R83-T87 VanDerWaalsContact O-OG1 3.07Å |
| 84 | R | 75.3 | Confident | 79.5 | Confident | 67 Ų | 67 | 54.3 Ų | 54.3 | 25% | 0.253 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -50.5 | -52.8 | 173.6 | -176.5 | -173.4 | 64.3 | -156.7 | -3 | 113.5 | L78 T80 P82 G86 T87 F88 F130 | L78-R84 WeakPolarHBondContact O-CB 3.28Å; L78-R84 WeakPolarHBondContact O-CD 3.45Å; L78-R84 WeakPolarHBondContact O-CG 3.35Å; T80-R84 PolarHBondContact O-N 3.31Å; P82-R84 VanDerWaalsContact C-N 3.26Å; P82-R84 PolarHBondContact O-N 2.86Å; R84-G86 VanDerWaalsContact C-N 3.28Å; R84-G86 PolarHBondContact O-N 2.88Å; R84-T87 PolarHBondContact O-N 3.35Å; R84-F88 HydrophobicContact CG-CD2 3.88Å; R84-F88 HydrophobicContact CG-CE2 3.98Å; R84-F88 WeakPolarHBondContact O-CD2 3.19Å; R84-F88 PolarHBondContact O-N 3.3Å; R84-F88 VanDerWaalsContact O-N 3.08Å; R84-F130 HydrophobicContact CG-CD2 4.4Å |
| 85 | S | 78.4 | Confident | 79.6 | Confident | 65 Ų | 65 | 55.2 Ų | 55.2 | 46% | 0.455 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.8 | -36.8 | -175.6 | -57.2 | 0 | 0 | 0 | 0 | 111.1 | P82 R83 A89 | P82-S85 PolarHBondContact O-N 2.77Å; R83-S85 PolarHBondContact O-N 2.94Å; S85-A89 WeakPolarHBondContact O-CB 3.46Å; S85-A89 PolarHBondContact O-N 2.76Å; S85-A89 VanDerWaalsContact O-N 3.08Å |
| 86 | G | 82.3 | Confident | 79.8 | Confident | 35 Ų | 35 | 55.3 Ų | 55.3 | 36% | 0.361 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61 | -50.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | P82 R83 R84 F88 A89 E90 | P82-G86 PolarHBondContact O-N 2.91Å; R83-G86 PolarHBondContact O-N 3.17Å; R84-G86 VanDerWaalsContact C-N 3.28Å; R84-G86 PolarHBondContact O-N 2.88Å; G86-F88 PolarHBondContact O-N 3.44Å; G86-A89 PolarHBondContact O-N 3.21Å; G86-E90 PolarHBondContact O-N 3.28Å; G86-E90 VanDerWaalsContact O-N 3.15Å |
| 87 | T | 83.4 | Confident | 79.8 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.3 | -51.5 | 179.3 | -51.6 | 0 | 0 | 0 | 0 | 112.1 | H38 I41 V42 L78 R83 R84 A89 E90 L91 | H38-T87 PolarHBondContact ND1-OG1 3.41Å; I41-T87 HydrophobicContact CB-CG2 4.35Å; I41-T87 HydrophobicContact CG2-CG2 3.52Å; V42-T87 HydrophobicContact CG2-CG2 3.71Å; L78-T87 HydrophobicContact CD2-CG2 4.02Å; R83-T87 PolarHBondContact O-N 3.08Å; R83-T87 PolarHBondContact O-OG1 3.1Å; R83-T87 VanDerWaalsContact O-OG1 3.07Å; R84-T87 PolarHBondContact O-N 3.35Å; T87-A89 VanDerWaalsContact C-N 3.32Å; T87-A89 PolarHBondContact O-N 3.09Å; T87-E90 PolarHBondContact O-N 2.81Å; T87-L91 WeakPolarHBondContact O-CG 3.48Å; T87-L91 PolarHBondContact O-N 2.88Å |
| 88 | F | 82.2 | Confident | 80.1 | Confident | 36 Ų | 36 | 48.6 Ų | 48.6 | 16% | 0.158 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -72.8 | -21.4 | -177.8 | -76.9 | -78.8 | 0 | 0 | 0 | 114.2 | L78 R84 G86 L91 D96 L99 F130 V134 | L78-F88 HydrophobicContact CD2-CE2 4.18Å; R84-F88 HydrophobicContact CG-CD2 3.88Å; R84-F88 HydrophobicContact CG-CE2 3.98Å; R84-F88 WeakPolarHBondContact O-CD2 3.19Å; R84-F88 PolarHBondContact O-N 3.3Å; R84-F88 VanDerWaalsContact O-N 3.08Å; G86-F88 PolarHBondContact O-N 3.44Å; F88-L91 HydrophobicContact CD1-CD1 3.87Å; F88-L91 HydrophobicContact CE1-CD1 4.24Å; F88-D96 HydrophobicContact CD1-CB 3.98Å; F88-D96 HydrophobicContact CE1-CB 3.97Å; F88-L99 HydrophobicContact CE1-CD2 4.45Å; F88-L99 HydrophobicContact CZ-CD2 4.44Å; F88-F130 HydrophobicContact CE2-CD2 4.14Å; F88-F130 AromaticContact CE2-CE2 3.7Å; F88-F130 HydrophobicContact CE2-CE2 3.7Å; F88-F130 HydrophobicContact CZ-CD2 4.48Å; F88-F130 AromaticContact CZ-CE2 3.88Å; F88-F130 HydrophobicContact CZ-CE2 3.88Å; F88-V134 HydrophobicContact CD1-CG2 4.22Å; F88-V134 HydrophobicContact CE1-CG2 3.56Å; F88-V134 HydrophobicContact CZ-CG2 3.92Å |
| 89 | A | 82.8 | Confident | 80.4 | Confident | 86 Ų | 86 | 48.6 Ų | 48.6 | 71% | 0.711 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -76.3 | -27.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S85 G86 T87 | S85-A89 WeakPolarHBondContact O-CB 3.46Å; S85-A89 PolarHBondContact O-N 2.76Å; S85-A89 VanDerWaalsContact O-N 3.08Å; G86-A89 PolarHBondContact O-N 3.21Å; T87-A89 VanDerWaalsContact C-N 3.32Å; T87-A89 PolarHBondContact O-N 3.09Å |
| 90 | E | 86.5 | Confident | 80.8 | Confident | 79 Ų | 79 | 47.6 Ų | 47.6 | 37% | 0.369 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -88.1 | -19.6 | -178.7 | -162.5 | 175 | 169.1 | 0 | 0 | 113.1 | H38 V42 Y43 G86 T87 | H38-E90 IonicContact CD2-OE2 2.7Å; H38-E90 IonicContact CE1-OE2 3.35Å; H38-E90 IonicContact NE2-OE2 3.55Å; H38-E90 PolarHBondContact NE2-OE2 3.49Å; V42-E90 HydrophobicContact CG1-CB 4.1Å; V42-E90 HydrophobicContact CG1-CG 3.83Å; V42-E90 HydrophobicContact CG2-CB 4.41Å; Y43-E90 PolarHBondContact OH-OE1 2.96Å; G86-E90 PolarHBondContact O-N 3.28Å; G86-E90 VanDerWaalsContact O-N 3.15Å; T87-E90 PolarHBondContact O-N 2.81Å |
| 91 | L | 83.8 | Confident | 81.1 | Confident | 19 Ų | 19 | 44.9 Ų | 44.9 | 10% | 0.099 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -64 | 136.5 | 175.3 | -71.4 | 173.9 | 0 | 0 | 0 | 111.4 | V42 S46 T87 F88 D96 L99 | V42-L91 HydrophobicContact CG1-CD2 4.42Å; S46-L91 VanDerWaalsContact CB-CD2 3.44Å; T87-L91 WeakPolarHBondContact O-CG 3.48Å; T87-L91 PolarHBondContact O-N 2.88Å; F88-L91 HydrophobicContact CD1-CD1 3.87Å; F88-L91 HydrophobicContact CE1-CD1 4.24Å; L91-D96 HydrophobicContact CD1-CB 4.06Å; L91-L99 HydrophobicContact CD1-CD2 3.92Å |
| 92 | L | 81.2 | Confident | 81.9 | Confident | 88 Ų | 88 | 41.1 Ų | 41.1 | 46% | 0.461 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -59.8 | 149.5 | 167.8 | -66.4 | 174.2 | 0 | 0 | 0 | 110.3 | G94 Y95 | L92-G94 PolarHBondContact O-N 3.49Å; L92-G94 VanDerWaalsContact O-N 3.17Å; L92-Y95 HydrophobicContact CB-CD2 3.59Å; L92-Y95 HydrophobicContact CB-CE2 3.96Å; L92-Y95 HydrophobicContact CB-CG 4.07Å; L92-Y95 HydrophobicContact CD1-CD2 4.41Å; L92-Y95 HydrophobicContact CD1-CE2 4.01Å; L92-Y95 WeakPolarHBondContact O-CB 3.48Å; L92-Y95 PolarHBondContact O-N 2.92Å |
| 93 | P | 75.6 | Confident | 82.3 | Confident | 115 Ų | 115 | 36.5 Ų | 36.5 | 75% | 0.747 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | 124.1 | 176.1 | -26.2 | 34.4 | 0 | 0 | 0 | 111.7 | ||
| 94 | G | 75 | Confident | 82.8 | Confident | 8 Ų | 8 | 30.7 Ų | 30.7 | 8% | 0.082 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92 | -19.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | L92 D96 V97 C145 | L92-G94 PolarHBondContact O-N 3.49Å; L92-G94 VanDerWaalsContact O-N 3.17Å; G94-D96 VanDerWaalsContact C-OD1 3.24Å; G94-D96 WeakPolarHBondContact CA-OD1 3.48Å; G94-D96 PolarHBondContact O-N 3.09Å; G94-V97 WeakPolarHBondContact O-CB 3.33Å; G94-V97 PolarHBondContact O-N 2.81Å; G94-V97 VanDerWaalsContact O-N 3.12Å; G94-C145 WeakPolarHBondContact CA-SG 3.33Å |
| 95 | Y | 83.4 | Confident | 83.3 | Confident | 19 Ų | 19 | 27.6 Ų | 27.6 | 8% | 0.075 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -74.5 | -13.3 | 180 | -79.2 | -118.7 | 0 | 0 | 0 | 112.5 | S46 P48 L92 V97 C98 L99 | S46-Y95 WeakPolarHBondContact O-CD1 3.35Å; P48-Y95 HydrophobicContact CG-CE1 4.34Å; L92-Y95 HydrophobicContact CB-CD2 3.59Å; L92-Y95 HydrophobicContact CB-CE2 3.96Å; L92-Y95 HydrophobicContact CB-CG 4.07Å; L92-Y95 HydrophobicContact CD1-CD2 4.41Å; L92-Y95 HydrophobicContact CD1-CE2 4.01Å; L92-Y95 WeakPolarHBondContact O-CB 3.48Å; L92-Y95 PolarHBondContact O-N 2.92Å; Y95-V97 VanDerWaalsContact C-N 3.29Å; Y95-C98 PolarHBondContact O-N 3.21Å; Y95-L99 WeakPolarHBondContact O-CB 3.31Å; Y95-L99 PolarHBondContact O-N 2.86Å |
| 96 | D | 80.8 | Confident | 83.6 | Confident | 12 Ų | 12 | 24.9 Ų | 24.9 | 6% | 0.064 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.9 | -36.9 | 166.4 | 54.4 | -13.5 | 0 | 0 | 0 | 112.1 | F88 L91 G94 L100 V134 R137 | F88-D96 HydrophobicContact CD1-CB 3.98Å; F88-D96 HydrophobicContact CE1-CB 3.97Å; L91-D96 HydrophobicContact CD1-CB 4.06Å; G94-D96 VanDerWaalsContact C-OD1 3.24Å; G94-D96 WeakPolarHBondContact CA-OD1 3.48Å; G94-D96 PolarHBondContact O-N 3.09Å; D96-L100 WeakPolarHBondContact O-CB 3.5Å; D96-L100 PolarHBondContact O-N 3.38Å; D96-V134 HydrophobicContact CB-CG1 4.14Å; D96-R137 WeakPolarHBondContact OD2-CD 3.12Å; D96-R137 IonicContact OD2-NH1 2.72Å; D96-R137 PolarHBondContact OD2-NH1 3.05Å |
| 97 | V | 80 | Confident | 83.6 | Confident | 8 Ų | 8 | 23.3 Ų | 23.3 | 5% | 0.048 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68.3 | -40.6 | 173.8 | -179.2 | 0 | 0 | 0 | 0 | 111.3 | G94 Y95 L100 G101 L138 V159 I163 | G94-V97 WeakPolarHBondContact O-CB 3.33Å; G94-V97 PolarHBondContact O-N 2.81Å; G94-V97 VanDerWaalsContact O-N 3.12Å; Y95-V97 VanDerWaalsContact C-N 3.29Å; V97-L100 PolarHBondContact O-N 3.45Å; V97-G101 PolarHBondContact O-N 3.38Å; V97-L138 HydrophobicContact CB-CD1 4.27Å; V97-L138 HydrophobicContact CG1-CD1 3.49Å; V97-L138 VanDerWaalsContact CG1-CD1 3.49Å; V97-L138 HydrophobicContact CG1-CG 4.05Å; V97-L138 HydrophobicContact CG2-CB 4.39Å; V97-L138 HydrophobicContact CG2-CD1 3.95Å; V97-L138 HydrophobicContact CG2-CG 4.07Å; V97-V159 HydrophobicContact CG1-CG1 3.86Å; V97-I163 HydrophobicContact CG1-CD1 4.28Å |
| 98 | C | 85.4 | Confident | 83.7 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.2 | -45.5 | 175.6 | -63.9 | 0 | 0 | 0 | 0 | 112.2 | S46 Y95 L100 G101 N102 L152 | S46-C98 WeakPolarHBondContact O-CB 3.42Å; Y95-C98 PolarHBondContact O-N 3.21Å; C98-L100 VanDerWaalsContact C-N 3.28Å; C98-L100 PolarHBondContact O-N 3.05Å; C98-G101 PolarHBondContact O-N 2.77Å; C98-N102 PolarHBondContact O-N 2.89Å; C98-N102 PolarHBondContact O-ND2 2.96Å; C98-L152 WeakPolarHBondContact SG-CD1 3.46Å |
| 99 | L | 87 | Confident | 83.5 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.7 | -45.7 | 173.8 | 174.8 | 58.5 | 0 | 0 | 0 | 110.7 | I41 L45 F88 L91 Y95 N102 L103 | I41-L99 HydrophobicContact CG2-CD1 3.85Å; I41-L99 HydrophobicContact CG2-CD2 3.78Å; L45-L99 HydrophobicContact CB-CD1 4Å; L45-L99 HydrophobicContact CD2-CD1 3.77Å; L45-L99 HydrophobicContact CG-CD1 3.71Å; F88-L99 HydrophobicContact CE1-CD2 4.45Å; F88-L99 HydrophobicContact CZ-CD2 4.44Å; L91-L99 HydrophobicContact CD1-CD2 3.92Å; Y95-L99 WeakPolarHBondContact O-CB 3.31Å; Y95-L99 PolarHBondContact O-N 2.86Å; L99-N102 PolarHBondContact O-N 2.9Å; L99-L103 HydrophobicContact CD1-CD1 4.13Å; L99-L103 HydrophobicContact CD1-CG 4.26Å; L99-L103 HydrophobicContact CG-CD1 4.09Å; L99-L103 VanDerWaalsContact O-CG 3.31Å; L99-L103 WeakPolarHBondContact O-CG 3.29Å; L99-L103 PolarHBondContact O-N 2.85Å |
| 100 | L | 84.8 | Confident | 83.3 | Confident | 3 Ų | 3 | 20.6 Ų | 20.6 | 2% | 0.016 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.7 | -46.7 | 177.3 | -178.5 | 57.1 | 0 | 0 | 0 | 112.1 | D96 V97 C98 N102 L103 I104 L131 V134 W135 | D96-L100 WeakPolarHBondContact O-CB 3.5Å; D96-L100 PolarHBondContact O-N 3.38Å; V97-L100 PolarHBondContact O-N 3.45Å; C98-L100 VanDerWaalsContact C-N 3.28Å; C98-L100 PolarHBondContact O-N 3.05Å; L100-N102 VanDerWaalsContact C-N 3.31Å; L100-N102 PolarHBondContact O-N 3.26Å; L100-L103 PolarHBondContact O-N 2.69Å; L100-I104 HydrophobicContact CD1-CD1 4Å; L100-I104 HydrophobicContact CD1-CG1 4.2Å; L100-I104 HydrophobicContact CG-CD1 3.83Å; L100-I104 HydrophobicContact CG-CG1 4.49Å; L100-I104 VanDerWaalsContact O-CG1 3.24Å; L100-I104 WeakPolarHBondContact O-CG1 3.48Å; L100-I104 PolarHBondContact O-N 3.27Å; L100-L131 HydrophobicContact CD1-CD2 4.07Å; L100-V134 HydrophobicContact CB-CG1 4.47Å; L100-V134 HydrophobicContact CD2-CG1 3.91Å; L100-W135 HydrophobicContact CD1-CH2 4.41Å; L100-W135 HydrophobicContact CD1-CZ2 4.15Å; L100-W135 HydrophobicContact CD2-CD2 3.9Å; L100-W135 HydrophobicContact CD2-CE3 3.76Å; L100-W135 HydrophobicContact CD2-CH2 3.61Å; L100-W135 HydrophobicContact CD2-CZ2 3.76Å; L100-W135 HydrophobicContact CD2-CZ3 3.6Å; L100-W135 HydrophobicContact CG-CH2 4.12Å; L100-W135 HydrophobicContact CG-CZ2 4.3Å; L100-W135 HydrophobicContact CG-CZ3 4.47Å |
| 101 | G | 87.2 | Confident | 82.9 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -57.3 | -42.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V97 C98 I104 H105 Q162 | V97-G101 PolarHBondContact O-N 3.38Å; C98-G101 PolarHBondContact O-N 2.77Å; G101-I104 PolarHBondContact O-N 3.05Å; G101-H105 PolarHBondContact O-N 3.48Å; G101-Q162 WeakPolarHBondContact O-CB 3.4Å |
| 102 | N | 88 | Confident | 82.7 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.7 | -43.7 | 175.8 | -73.8 | -38.8 | 0 | 0 | 0 | 112.7 | L45 M47 L50 T51 C98 L99 L100 I104 H105 L106 Q162 | L45-N102 HydrophobicContact CD1-CB 3.96Å; L45-N102 HydrophobicContact CG-CB 4.35Å; L45-N102 WeakPolarHBondContact O-CB 3.28Å; L45-N102 PolarHBondContact O-ND2 3.03Å; M47-N102 PolarHBondContact O-ND2 3.45Å; L50-N102 PolarHBondContact N-OD1 3.28Å; L50-N102 VanDerWaalsContact N-OD1 3.14Å; T51-N102 HydrophobicContact CG2-CB 3.88Å; T51-N102 PolarHBondContact N-OD1 2.77Å; T51-N102 PolarHBondContact OG1-OD1 2.85Å; C98-N102 PolarHBondContact O-N 2.89Å; C98-N102 PolarHBondContact O-ND2 2.96Å; L99-N102 PolarHBondContact O-N 2.9Å; L100-N102 VanDerWaalsContact C-N 3.31Å; L100-N102 PolarHBondContact O-N 3.26Å; N102-I104 PolarHBondContact O-N 3.35Å; N102-H105 PolarHBondContact O-N 2.96Å; N102-L106 WeakPolarHBondContact O-CG 3.3Å; N102-L106 PolarHBondContact O-N 2.99Å; N102-Q162 PolarHBondContact OD1-NE2 3.49Å |
| 103 | L | 87.2 | Confident | 82.3 | Confident | 3 Ų | 3 | 18.5 Ų | 18.5 | 2% | 0.016 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.8 | -43.5 | 175.1 | -71.7 | 168.5 | 0 | 0 | 0 | 111.8 | L45 L71 C74 L78 L99 L100 H105 L106 V107 F125 | L45-L103 HydrophobicContact CD2-CD2 3.89Å; L45-L103 HydrophobicContact CD2-CG 4.38Å; L71-L103 HydrophobicContact CD1-CD2 4.19Å; C74-L103 HydrophobicContact CB-CD2 4.11Å; L78-L103 HydrophobicContact CD1-CD1 3.72Å; L99-L103 HydrophobicContact CD1-CD1 4.13Å; L99-L103 HydrophobicContact CD1-CG 4.26Å; L99-L103 HydrophobicContact CG-CD1 4.09Å; L99-L103 VanDerWaalsContact O-CG 3.31Å; L99-L103 WeakPolarHBondContact O-CG 3.29Å; L99-L103 PolarHBondContact O-N 2.85Å; L100-L103 PolarHBondContact O-N 2.69Å; L103-H105 VanDerWaalsContact C-N 3.31Å; L103-H105 PolarHBondContact O-N 3.46Å; L103-L106 WeakPolarHBondContact O-CB 3.44Å; L103-L106 PolarHBondContact O-N 3.37Å; L103-V107 VanDerWaalsContact O-CG2 3.26Å; L103-V107 WeakPolarHBondContact O-CG2 3.34Å; L103-V107 PolarHBondContact O-N 2.96Å; L103-F125 HydrophobicContact CD1-CE1 4.07Å; L103-F125 HydrophobicContact CD1-CZ 4Å |
| 104 | I | 87.7 | Confident | 81.5 | Confident | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.6 | -41 | 176.6 | -68.6 | 164.2 | 0 | 0 | 0 | 111 | L100 G101 N102 L106 V107 Y108 L126 W135 Q162 I163 L165 L166 | L100-I104 HydrophobicContact CD1-CD1 4Å; L100-I104 HydrophobicContact CD1-CG1 4.2Å; L100-I104 HydrophobicContact CG-CD1 3.83Å; L100-I104 HydrophobicContact CG-CG1 4.49Å; L100-I104 VanDerWaalsContact O-CG1 3.24Å; L100-I104 WeakPolarHBondContact O-CG1 3.48Å; L100-I104 PolarHBondContact O-N 3.27Å; G101-I104 PolarHBondContact O-N 3.05Å; N102-I104 PolarHBondContact O-N 3.35Å; I104-L106 VanDerWaalsContact C-N 3.33Å; I104-L106 PolarHBondContact O-N 3.32Å; I104-V107 WeakPolarHBondContact O-CB 3.4Å; I104-V107 PolarHBondContact O-N 3.31Å; I104-Y108 PolarHBondContact O-N 3.06Å; I104-L126 HydrophobicContact CG1-CD2 4.45Å; I104-W135 HydrophobicContact CD1-CH2 3.72Å; I104-W135 HydrophobicContact CD1-CZ2 4.35Å; I104-Q162 WeakPolarHBondContact CG2-O 3.46Å; I104-I163 HydrophobicContact CD1-CG1 4.17Å; I104-L165 HydrophobicContact CG2-CB 4.17Å; I104-L166 HydrophobicContact CD1-CD1 3.7Å; I104-L166 HydrophobicContact CD1-CD2 4.42Å; I104-L166 HydrophobicContact CD1-CG 4.01Å; I104-L166 HydrophobicContact CG1-CD1 4.28Å; I104-L166 HydrophobicContact CG1-CD2 4.08Å; I104-L166 HydrophobicContact CG1-CG 4.15Å; I104-L166 HydrophobicContact CG2-CD2 3.94Å; I104-L166 HydrophobicContact CG2-CG 3.74Å |
| 105 | H | 86.7 | Confident | 80.6 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.1 | -36.3 | 177.2 | -166.7 | -164.3 | 0 | 0 | 0 | 111.8 | T51 W52 K55 G101 N102 L103 V107 Y108 M109 Q162 L165 | T51-H105 WeakPolarHBondContact CB-ND1 3.5Å; T51-H105 PolarHBondContact O-CE1 3.4Å; T51-H105 VanDerWaalsContact O-CE1 3.23Å; T51-H105 PolarHBondContact O-ND1 3.26Å; T51-H105 VanDerWaalsContact OG1-CB 3.29Å; T51-H105 WeakPolarHBondContact OG1-CB 3.33Å; T51-H105 PolarHBondContact OG1-ND1 2.87Å; W52-H105 PolarHBondContact N-ND1 3.43Å; K55-H105 VanDerWaalsContact CD-NE2 3.27Å; K55-H105 WeakPolarHBondContact CD-NE2 3.47Å; G101-H105 PolarHBondContact O-N 3.48Å; N102-H105 PolarHBondContact O-N 2.96Å; L103-H105 VanDerWaalsContact C-N 3.31Å; L103-H105 PolarHBondContact O-N 3.46Å; H105-V107 VanDerWaalsContact C-N 3.34Å; H105-Y108 WeakPolarHBondContact O-CB 3.46Å; H105-Y108 PolarHBondContact O-N 2.88Å; H105-M109 VanDerWaalsContact O-CG 3.26Å; H105-M109 WeakPolarHBondContact O-CG 3.47Å; H105-M109 PolarHBondContact O-N 3.48Å; H105-Q162 HydrophobicContact CB-CG 4.19Å; H105-L165 HydrophobicContact CB-CD1 4.15Å; H105-L165 VanDerWaalsContact CD2-CD1 3.41Å; H105-L165 WeakPolarHBondContact CD2-CD1 3.07Å |
| 106 | L | 84 | Confident | 79.3 | Confident | 9 Ų | 9 | 28.7 Ų | 28.7 | 5% | 0.047 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.3 | -41.6 | 170.7 | -66 | 179.8 | 0 | 0 | 0 | 111.8 | L45 T51 L66 L70 L71 N102 L103 I104 Y108 M109 E110 | L45-L106 HydrophobicContact CD1-CD1 4.17Å; T51-L106 HydrophobicContact CG2-CD2 3.99Å; T51-L106 HydrophobicContact CG2-CG 4.17Å; L66-L106 HydrophobicContact CD2-CD2 3.15Å; L70-L106 HydrophobicContact CD2-CD1 4.41Å; L71-L106 HydrophobicContact CB-CB 4.47Å; L71-L106 HydrophobicContact CD1-CB 3.98Å; L71-L106 HydrophobicContact CD1-CD1 4.47Å; N102-L106 WeakPolarHBondContact O-CG 3.3Å; N102-L106 PolarHBondContact O-N 2.99Å; L103-L106 WeakPolarHBondContact O-CB 3.44Å; L103-L106 PolarHBondContact O-N 3.37Å; I104-L106 VanDerWaalsContact C-N 3.33Å; I104-L106 PolarHBondContact O-N 3.32Å; L106-Y108 VanDerWaalsContact C-N 3.35Å; L106-Y108 PolarHBondContact O-N 3.44Å; L106-M109 PolarHBondContact O-N 3.38Å; L106-E110 PolarHBondContact O-N 3.15Å |
| 107 | V | 83.3 | Confident | 78.1 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.1 | -47.5 | 174.2 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | L71 L103 I104 H105 M109 E110 A111 V122 L126 T171 F175 | L71-V107 HydrophobicContact CD1-CG2 4.11Å; L71-V107 HydrophobicContact CD2-CB 4.39Å; L71-V107 HydrophobicContact CD2-CG2 3.77Å; L103-V107 VanDerWaalsContact O-CG2 3.26Å; L103-V107 WeakPolarHBondContact O-CG2 3.34Å; L103-V107 PolarHBondContact O-N 2.96Å; I104-V107 WeakPolarHBondContact O-CB 3.4Å; I104-V107 PolarHBondContact O-N 3.31Å; H105-V107 VanDerWaalsContact C-N 3.34Å; V107-M109 VanDerWaalsContact C-N 3.31Å; V107-M109 PolarHBondContact O-N 3.47Å; V107-E110 PolarHBondContact O-N 2.88Å; V107-A111 WeakPolarHBondContact O-CB 3.45Å; V107-A111 PolarHBondContact O-N 3.44Å; V107-V122 HydrophobicContact CB-CG1 4.21Å; V107-V122 HydrophobicContact CG1-CG1 3.69Å; V107-V122 HydrophobicContact CG2-CG1 3.61Å; V107-L126 HydrophobicContact CG1-CD1 4.2Å; V107-L126 HydrophobicContact CG2-CD1 4.09Å; V107-T171 HydrophobicContact CG1-CG2 4.49Å; V107-F175 HydrophobicContact CG1-CE1 4.03Å; V107-F175 HydrophobicContact CG1-CZ 4.18Å |
| 108 | Y | 84.6 | Confident | 77.1 | Confident | 25 Ų | 25 | 40 Ų | 40 | 10% | 0.098 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.1 | -40.8 | 177.1 | 172.7 | -96.6 | 0 | 0 | 0 | 112.3 | I104 H105 L106 A111 L112 L165 H168 T170 | I104-Y108 PolarHBondContact O-N 3.06Å; H105-Y108 WeakPolarHBondContact O-CB 3.46Å; H105-Y108 PolarHBondContact O-N 2.88Å; L106-Y108 VanDerWaalsContact C-N 3.35Å; L106-Y108 PolarHBondContact O-N 3.44Å; Y108-A111 WeakPolarHBondContact O-CB 3.4Å; Y108-A111 PolarHBondContact O-N 3.35Å; Y108-L112 HydrophobicContact CD1-CD1 4.14Å; Y108-L112 HydrophobicContact CE1-CD1 3.55Å; Y108-L112 HydrophobicContact CE1-CG 4.21Å; Y108-L112 PolarHBondContact O-N 3.28Å; Y108-L112 VanDerWaalsContact O-N 3.1Å; Y108-L165 HydrophobicContact CD1-CD1 4.11Å; Y108-L165 HydrophobicContact CD1-CD2 4.36Å; Y108-L165 HydrophobicContact CD2-CB 4.2Å; Y108-L165 HydrophobicContact CD2-CD2 3.98Å; Y108-L165 HydrophobicContact CD2-CG 4.48Å; Y108-L165 HydrophobicContact CE1-CD2 4.45Å; Y108-L165 HydrophobicContact CE2-CD2 4.07Å; Y108-L165 HydrophobicContact CG-CB 4.24Å; Y108-L165 HydrophobicContact CG-CD1 3.94Å; Y108-L165 HydrophobicContact CG-CD2 4.11Å; Y108-L165 HydrophobicContact CG-CG 4.32Å; Y108-H168 HydrophobicContact CE2-CB 4.46Å; Y108-H168 AromaticContact CE2-CE1 3.72Å; Y108-H168 AromaticContact CE2-CG 3.91Å; Y108-H168 AromaticContact CE2-ND1 3.42Å; Y108-H168 WeakPolarHBondContact CE2-ND1 3.37Å; Y108-T170 HydrophobicContact CE2-CG2 4.34Å |
| 109 | M | 79.2 | Confident | 75.9 | Confident | 29 Ų | 29 | 41.9 Ų | 41.9 | 14% | 0.143 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.2 | -38 | 177.1 | -67 | -63.8 | -68.8 | 0 | 0 | 112 | K55 L66 H105 L106 V107 L112 S113 | K55-M109 HydrophobicContact CD-SD 4.13Å; L66-M109 HydrophobicContact CD1-CB 4.37Å; L66-M109 HydrophobicContact CD1-CE 3.67Å; L66-M109 HydrophobicContact CD1-CG 4.19Å; H105-M109 VanDerWaalsContact O-CG 3.26Å; H105-M109 WeakPolarHBondContact O-CG 3.47Å; H105-M109 PolarHBondContact O-N 3.48Å; L106-M109 PolarHBondContact O-N 3.38Å; V107-M109 VanDerWaalsContact C-N 3.31Å; V107-M109 PolarHBondContact O-N 3.47Å; M109-L112 WeakPolarHBondContact O-CB 3.42Å; M109-L112 PolarHBondContact O-N 3.11Å; M109-L112 HydrophobicContact SD-CD1 4.03Å; M109-S113 PolarHBondContact O-N 3.42Å |
| 110 | E | 77.6 | Confident | 74.5 | Confident | 12 Ų | 12 | 44.6 Ų | 44.6 | 6% | 0.056 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.1 | -41.4 | 173.3 | -172.9 | 164.5 | 168.1 | 0 | 0 | 111.3 | L71 L106 V107 L112 S113 S116 | L71-E110 HydrophobicContact CD2-CB 4.44Å; L71-E110 WeakPolarHBondContact CD2-OE2 3.19Å; L106-E110 PolarHBondContact O-N 3.15Å; V107-E110 PolarHBondContact O-N 2.88Å; E110-L112 VanDerWaalsContact C-N 3.26Å; E110-L112 PolarHBondContact O-N 3.02Å; E110-S113 WeakPolarHBondContact O-CB 3.32Å; E110-S113 PolarHBondContact O-N 2.88Å; E110-S113 PolarHBondContact O-OG 3.22Å; E110-S116 VanDerWaalsContact OE1-CB 3.24Å; E110-S116 WeakPolarHBondContact OE1-CB 3.36Å; E110-S116 PolarHBondContact OE1-OG 2.83Å |
| 111 | A | 79.3 | Confident | 73.2 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 2% | 0.017 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.8 | -34.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V107 Y108 S113 T170 F174 | V107-A111 WeakPolarHBondContact O-CB 3.45Å; V107-A111 PolarHBondContact O-N 3.44Å; Y108-A111 WeakPolarHBondContact O-CB 3.4Å; Y108-A111 PolarHBondContact O-N 3.35Å; A111-S113 VanDerWaalsContact C-N 3.31Å; A111-S113 PolarHBondContact O-N 3.27Å; A111-T170 HydrophobicContact CB-CG2 3.98Å; A111-F174 HydrophobicContact CB-CB 3.64Å; A111-F174 HydrophobicContact CB-CD1 4.04Å; A111-F174 HydrophobicContact CB-CD2 4.06Å; A111-F174 HydrophobicContact CB-CG 3.66Å |
| 112 | L | 79.3 | Confident | 72 | Confident | 75 Ų | 75 | 48.7 Ų | 48.7 | 39% | 0.393 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -67.9 | -26.7 | 173.4 | -74.5 | 172.1 | 0 | 0 | 0 | 113.6 | Y108 M109 E110 F114 T170 | Y108-L112 HydrophobicContact CD1-CD1 4.14Å; Y108-L112 HydrophobicContact CE1-CD1 3.55Å; Y108-L112 HydrophobicContact CE1-CG 4.21Å; Y108-L112 PolarHBondContact O-N 3.28Å; Y108-L112 VanDerWaalsContact O-N 3.1Å; M109-L112 WeakPolarHBondContact O-CB 3.42Å; M109-L112 PolarHBondContact O-N 3.11Å; M109-L112 HydrophobicContact SD-CD1 4.03Å; E110-L112 VanDerWaalsContact C-N 3.26Å; E110-L112 PolarHBondContact O-N 3.02Å; L112-F114 VanDerWaalsContact C-N 3.34Å; L112-F114 WeakPolarHBondContact O-CD2 3.44Å; L112-T170 HydrophobicContact CD2-CG2 3.85Å; L112-T170 HydrophobicContact CG-CG2 4.15Å |
| 113 | S | 72.3 | Confident | 70.7 | Confident | 65 Ų | 65 | 48.8 Ų | 48.8 | 46% | 0.455 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -80.6 | -11.9 | -174.5 | 75.7 | 0 | 0 | 0 | 0 | 114.1 | M109 E110 A111 K115 | M109-S113 PolarHBondContact O-N 3.42Å; E110-S113 WeakPolarHBondContact O-CB 3.32Å; E110-S113 PolarHBondContact O-N 2.88Å; E110-S113 PolarHBondContact O-OG 3.22Å; A111-S113 VanDerWaalsContact C-N 3.31Å; A111-S113 PolarHBondContact O-N 3.27Å; S113-K115 WeakPolarHBondContact O-CG 3.16Å; S113-K115 PolarHBondContact O-N 2.99Å |
| 114 | F | 58.7 | Low | 69.5 | Low | 149 Ų | 149 | 51.5 Ų | 51.5 | 65% | 0.654 | 27% | 0.265 | S | S | * | . | trans | 53.8 | -3.9 | 178.3 | -80 | -86 | 0 | 0 | 0 | 117.9 | L112 R177 | L112-F114 VanDerWaalsContact C-N 3.34Å; L112-F114 WeakPolarHBondContact O-CD2 3.44Å; F114-R177 PolarHBondContact O-NH1 3.11Å | ||
| 115 | K | 55.6 | Low | 68.5 | Low | 199 Ų | 199 | 51.6 Ų | 51.6 | 87% | 0.865 | 27% | 0.265 | S | S | * | . | trans | -94.9 | 12.5 | -168.4 | -76.5 | -175.7 | 178.4 | -174.4 | 0 | 116.3 | S113 | S113-K115 WeakPolarHBondContact O-CG 3.16Å; S113-K115 PolarHBondContact O-N 2.99Å | ||
| 116 | S | 55.9 | Low | 67.5 | Low | 8 Ų | 8 | 51.7 Ų | 51.7 | 6% | 0.056 | 27% | 0.266 | C | S | . | . | trans | -110.2 | 112.5 | -166.4 | -173.8 | 0 | 0 | 0 | 0 | 113.9 | E110 R118 | E110-S116 VanDerWaalsContact OE1-CB 3.24Å; E110-S116 WeakPolarHBondContact OE1-CB 3.36Å; E110-S116 PolarHBondContact OE1-OG 2.83Å; S116-R118 PolarHBondContact O-N 2.9Å; S116-R118 WeakPolarHBondContact OG-CA 3.35Å; S116-R118 WeakPolarHBondContact OG-CB 3.14Å; S116-R118 WeakPolarHBondContact OG-CG 3.4Å; S116-R118 PolarHBondContact OG-N 3.31Å | ||
| 117 | D | 56.5 | Low | 66.3 | Low | 156 Ų | 156 | 52.3 Ų | 52.3 | 83% | 0.834 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -3.9 | 159.1 | -80.8 | -26.4 | 0 | 0 | 0 | 112.2 | H119 | D117-H119 VanDerWaalsContact C-N 3.29Å; D117-H119 PolarHBondContact O-N 3.4Å; D117-H119 PolarHBondContact O-ND1 3.46Å |
| 118 | R | 59.8 | Low | 65.6 | Low | 101 Ų | 101 | 57.1 Ų | 57.1 | 38% | 0.381 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 6.6 | -176.9 | -44.4 | 177.2 | -179 | 174.4 | -0.2 | 113.6 | G68 S72 S116 V120 C121 V122 | G68-R118 VanDerWaalsContact C-NH1 3.27Å; G68-R118 PolarHBondContact O-NH1 3.24Å; S72-R118 PolarHBondContact OG-NH1 2.86Å; S116-R118 PolarHBondContact O-N 2.9Å; S116-R118 WeakPolarHBondContact OG-CA 3.35Å; S116-R118 WeakPolarHBondContact OG-CB 3.14Å; S116-R118 WeakPolarHBondContact OG-CG 3.4Å; S116-R118 PolarHBondContact OG-N 3.31Å; R118-V120 VanDerWaalsContact C-N 3.28Å; R118-V120 PolarHBondContact O-N 3.22Å; R118-C121 WeakPolarHBondContact O-CB 3.49Å; R118-C121 PolarHBondContact O-N 2.87Å; R118-V122 PolarHBondContact O-N 3.35Å; R118-V122 VanDerWaalsContact O-N 3.11Å |
| 119 | H | 58.5 | Low | 64.3 | Low | 39 Ų | 39 | 60.5 Ų | 60.5 | 18% | 0.181 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -47.5 | -48.1 | 177.3 | 64.8 | -79.1 | 0 | 0 | 0 | 112.6 | D117 C121 V122 V123 F174 E236 | D117-H119 VanDerWaalsContact C-N 3.29Å; D117-H119 PolarHBondContact O-N 3.4Å; D117-H119 PolarHBondContact O-ND1 3.46Å; H119-C121 VanDerWaalsContact C-N 3.31Å; H119-C121 PolarHBondContact O-N 3.07Å; H119-V122 PolarHBondContact O-N 2.98Å; H119-V123 WeakPolarHBondContact O-CB 3.34Å; H119-V123 WeakPolarHBondContact O-CG2 3.31Å; H119-V123 PolarHBondContact O-N 2.93Å; H119-F174 HydrophobicContact CB-CE1 4.22Å; H119-F174 HydrophobicContact CB-CE2 3.89Å; H119-F174 HydrophobicContact CB-CZ 3.63Å; H119-E236 IonicContact CD2-OE1 3.27Å; H119-E236 PolarHBondContact CD2-OE1 3.47Å; H119-E236 VanDerWaalsContact CD2-OE1 3.25Å; H119-E236 IonicContact NE2-OE1 3.93Å |
| 120 | V | 57.9 | Low | 63.4 | Low | 58 Ų | 58 | 60 Ų | 60 | 35% | 0.352 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.4 | -43.3 | 178.3 | -171.5 | 0 | 0 | 0 | 0 | 111.3 | R118 C124 | R118-V120 VanDerWaalsContact C-N 3.28Å; R118-V120 PolarHBondContact O-N 3.22Å; V120-C124 WeakPolarHBondContact O-CB 2.86Å; V120-C124 PolarHBondContact O-N 2.82Å; V120-C124 PolarHBondContact O-SG 2.81Å |
| 121 | C | 57.4 | Low | 62.7 | Low | 85 Ų | 85 | 59.6 Ų | 59.6 | 57% | 0.574 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -66 | -41.4 | -178 | -63.9 | 0 | 0 | 0 | 0 | 112 | R118 H119 C124 F125 | R118-C121 WeakPolarHBondContact O-CB 3.49Å; R118-C121 PolarHBondContact O-N 2.87Å; H119-C121 VanDerWaalsContact C-N 3.31Å; H119-C121 PolarHBondContact O-N 3.07Å; C121-C124 PolarHBondContact O-N 3.17Å; C121-F125 WeakPolarHBondContact O-CB 3.17Å; C121-F125 PolarHBondContact O-N 3.16Å |
| 122 | V | 63.3 | Low | 61.8 | Low | 4 Ų | 4 | 61.9 Ų | 61.9 | 2% | 0.024 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68.6 | -46.9 | 179.8 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | L71 V107 R118 H119 C124 F125 L126 F174 | L71-V122 HydrophobicContact CD2-CG1 4.1Å; L71-V122 HydrophobicContact CD2-CG2 3.71Å; L71-V122 HydrophobicContact CG-CG2 4.46Å; V107-V122 HydrophobicContact CB-CG1 4.21Å; V107-V122 HydrophobicContact CG1-CG1 3.69Å; V107-V122 HydrophobicContact CG2-CG1 3.61Å; R118-V122 PolarHBondContact O-N 3.35Å; R118-V122 VanDerWaalsContact O-N 3.11Å; H119-V122 PolarHBondContact O-N 2.98Å; V122-C124 VanDerWaalsContact C-N 3.35Å; V122-F125 WeakPolarHBondContact O-CB 3.26Å; V122-F125 PolarHBondContact O-N 3.17Å; V122-L126 HydrophobicContact CG1-CD1 4.49Å; V122-L126 PolarHBondContact O-N 3.36Å; V122-L126 VanDerWaalsContact O-N 3.09Å; V122-F174 HydrophobicContact CG1-CE1 4.42Å |
| 123 | V | 59.5 | Low | 61.1 | Low | 3 Ų | 3 | 64.1 Ų | 64.1 | 2% | 0.018 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57.6 | -50.8 | 172.5 | 168.1 | 0 | 0 | 0 | 0 | 109.7 | H119 F125 L126 V127 F175 V240 | H119-V123 WeakPolarHBondContact O-CB 3.34Å; H119-V123 WeakPolarHBondContact O-CG2 3.31Å; H119-V123 PolarHBondContact O-N 2.93Å; V123-F125 VanDerWaalsContact C-N 3.25Å; V123-F125 PolarHBondContact O-N 2.79Å; V123-L126 PolarHBondContact O-N 2.8Å; V123-L126 VanDerWaalsContact O-N 3.14Å; V123-V127 HydrophobicContact CG1-CG2 3.94Å; V123-V127 WeakPolarHBondContact O-CB 3.47Å; V123-V127 WeakPolarHBondContact O-CG2 3.35Å; V123-V127 PolarHBondContact O-N 2.9Å; V123-F175 HydrophobicContact CG2-CB 4.41Å; V123-F175 HydrophobicContact CG2-CD1 3.43Å; V123-F175 VanDerWaalsContact CG2-CD1 3.43Å; V123-F175 HydrophobicContact CG2-CE1 3.86Å; V123-F175 HydrophobicContact CG2-CG 3.98Å; V123-V240 HydrophobicContact CG1-CG2 3.44Å; V123-V240 VanDerWaalsContact CG1-CG2 3.44Å; V123-V240 HydrophobicContact CG2-CG2 4.37Å |
| 124 | C | 61.8 | Low | 60.8 | Low | 59 Ų | 59 | 61.3 Ų | 61.3 | 40% | 0.399 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.1 | -36.2 | 179.2 | -78.6 | 0 | 0 | 0 | 0 | 112.6 | V120 C121 V122 R128 | V120-C124 WeakPolarHBondContact O-CB 2.86Å; V120-C124 PolarHBondContact O-N 2.82Å; V120-C124 PolarHBondContact O-SG 2.81Å; C121-C124 PolarHBondContact O-N 3.17Å; V122-C124 VanDerWaalsContact C-N 3.35Å; C124-R128 WeakPolarHBondContact O-CG 3.37Å; C124-R128 PolarHBondContact O-N 3.1Å |
| 125 | F | 66.9 | Low | 61.2 | Low | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.018 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.2 | -53.3 | 173.8 | 173.7 | -98.4 | 0 | 0 | 0 | 111.6 | T75 L78 L103 C121 V122 V123 V127 R128 F130 L131 | T75-F125 VanDerWaalsContact CB-CD2 3.49Å; T75-F125 HydrophobicContact CG2-CB 4Å; T75-F125 HydrophobicContact CG2-CD1 3.47Å; T75-F125 VanDerWaalsContact CG2-CD1 3.47Å; T75-F125 HydrophobicContact CG2-CD2 3.71Å; T75-F125 HydrophobicContact CG2-CE1 3.79Å; T75-F125 HydrophobicContact CG2-CE2 4.03Å; T75-F125 HydrophobicContact CG2-CG 3.42Å; T75-F125 VanDerWaalsContact CG2-CG 3.42Å; T75-F125 HydrophobicContact CG2-CZ 4.05Å; L78-F125 HydrophobicContact CB-CE2 3.76Å; L78-F125 HydrophobicContact CB-CZ 4.23Å; L78-F125 HydrophobicContact CD1-CE2 4.28Å; L78-F125 HydrophobicContact CD1-CZ 3.9Å; L103-F125 HydrophobicContact CD1-CE1 4.07Å; L103-F125 HydrophobicContact CD1-CZ 4Å; C121-F125 WeakPolarHBondContact O-CB 3.17Å; C121-F125 PolarHBondContact O-N 3.16Å; V122-F125 WeakPolarHBondContact O-CB 3.26Å; V122-F125 PolarHBondContact O-N 3.17Å; V123-F125 VanDerWaalsContact C-N 3.25Å; V123-F125 PolarHBondContact O-N 2.79Å; F125-V127 VanDerWaalsContact C-N 3.27Å; F125-V127 PolarHBondContact O-N 3.24Å; F125-R128 WeakPolarHBondContact O-CB 3.33Å; F125-R128 PolarHBondContact O-N 2.87Å; F125-R128 VanDerWaalsContact O-N 3.17Å; F125-F130 HydrophobicContact CD2-CE1 4.4Å; F125-F130 HydrophobicContact CD2-CZ 4.46Å; F125-F130 HydrophobicContact CE2-CE1 4.01Å; F125-F130 AromaticContact CE2-CZ 3.67Å; F125-F130 HydrophobicContact CE2-CZ 3.67Å; F125-F130 AromaticContact CZ-CZ 3.9Å; F125-F130 HydrophobicContact CZ-CZ 3.9Å; F125-L131 HydrophobicContact CD1-CD1 4.33Å; F125-L131 HydrophobicContact CE1-CD1 4.12Å; F125-L131 VanDerWaalsContact O-CD1 3.25Å; F125-L131 WeakPolarHBondContact O-CD1 3.44Å |
| 126 | L | 65.4 | Low | 61.6 | Low | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.9 | -31.2 | -177.2 | -69.9 | 174.6 | 0 | 0 | 0 | 113.3 | I104 V107 V122 V123 R128 L131 L166 F175 F243 | I104-L126 HydrophobicContact CG1-CD2 4.45Å; V107-L126 HydrophobicContact CG1-CD1 4.2Å; V107-L126 HydrophobicContact CG2-CD1 4.09Å; V122-L126 HydrophobicContact CG1-CD1 4.49Å; V122-L126 PolarHBondContact O-N 3.36Å; V122-L126 VanDerWaalsContact O-N 3.09Å; V123-L126 PolarHBondContact O-N 2.8Å; V123-L126 VanDerWaalsContact O-N 3.14Å; L126-R128 VanDerWaalsContact C-N 3.32Å; L126-L131 VanDerWaalsContact CA-CD1 3.48Å; L126-L131 HydrophobicContact CD2-CD1 4.38Å; L126-L131 WeakPolarHBondContact O-CD1 3.32Å; L126-L166 HydrophobicContact CD1-CD2 4.08Å; L126-F175 HydrophobicContact CD1-CE1 4.19Å; L126-F175 HydrophobicContact CD1-CE2 4.28Å; L126-F175 HydrophobicContact CD1-CZ 3.44Å; L126-F175 VanDerWaalsContact CD1-CZ 3.44Å; L126-F243 HydrophobicContact CB-CE2 4.22Å; L126-F243 HydrophobicContact CB-CZ 4.3Å; L126-F243 WeakPolarHBondContact O-CE2 3.38Å |
| 127 | V | 60.3 | Low | 62 | Low | 23 Ų | 23 | 53.3 Ų | 53.3 | 14% | 0.139 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -79.5 | -14.3 | -179.6 | -179.1 | 0 | 0 | 0 | 0 | 112.1 | V123 F125 S239 F243 | V123-V127 HydrophobicContact CG1-CG2 3.94Å; V123-V127 WeakPolarHBondContact O-CB 3.47Å; V123-V127 WeakPolarHBondContact O-CG2 3.35Å; V123-V127 PolarHBondContact O-N 2.9Å; F125-V127 VanDerWaalsContact C-N 3.27Å; F125-V127 PolarHBondContact O-N 3.24Å; V127-S239 WeakPolarHBondContact CG1-O 3.22Å; V127-S239 WeakPolarHBondContact CG2-O 3.18Å; V127-F243 HydrophobicContact CB-CB 4.3Å; V127-F243 HydrophobicContact CG1-CB 4.28Å; V127-F243 HydrophobicContact CG2-CB 3.63Å; V127-F243 HydrophobicContact CG2-CG 4.12Å |
| 128 | R | 68.4 | Low | 62.3 | Low | 101 Ų | 101 | 46 Ų | 46 | 38% | 0.381 | 24% | 0.242 | S | C | . | . | trans | -59.2 | 141.6 | -171.7 | -72.1 | -153.9 | 175.1 | -170 | 1 | 112.4 | C79 C124 F125 L126 F130 L131 | C79-R128 PolarHBondContact O-NH1 3.17Å; C79-R128 PolarHBondContact SG-NE 3.24Å; C79-R128 VanDerWaalsContact SG-NE 3.4Å; C79-R128 PolarHBondContact SG-NH1 3.06Å; C124-R128 WeakPolarHBondContact O-CG 3.37Å; C124-R128 PolarHBondContact O-N 3.1Å; F125-R128 WeakPolarHBondContact O-CB 3.33Å; F125-R128 PolarHBondContact O-N 2.87Å; F125-R128 VanDerWaalsContact O-N 3.17Å; L126-R128 VanDerWaalsContact C-N 3.32Å; R128-F130 HydrophobicContact CB-CD1 3.58Å; R128-F130 HydrophobicContact CB-CE1 3.86Å; R128-F130 HydrophobicContact CG-CD1 4.4Å; R128-F130 HydrophobicContact CG-CE1 4.42Å; R128-F130 PolarHBondContact O-N 3.15Å; R128-L131 PolarHBondContact O-N 3.1Å | ||
| 129 | P | 56.9 | Low | 62.3 | Low | 96 Ų | 96 | 45.2 Ų | 45.2 | 62% | 0.623 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -54.5 | -30.2 | 177.9 | -25.7 | 32.8 | 0 | 0 | 0 | 114.4 | L131 S132 | P129-L131 VanDerWaalsContact C-N 3.26Å; P129-L131 PolarHBondContact O-N 3.18Å; P129-S132 VanDerWaalsContact O-CB 3.23Å; P129-S132 WeakPolarHBondContact O-CB 3.27Å; P129-S132 PolarHBondContact O-N 2.92Å; P129-S132 PolarHBondContact O-OG 2.71Å |
| 130 | F | 59.7 | Low | 62.2 | Low | 20 Ų | 20 | 48.6 Ų | 48.6 | 9% | 0.088 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.2 | -33.1 | -179 | 89.8 | -94.4 | 0 | 0 | 0 | 112.4 | R84 F88 F125 R128 S132 Q133 | R84-F130 HydrophobicContact CG-CD2 4.4Å; F88-F130 HydrophobicContact CE2-CD2 4.14Å; F88-F130 AromaticContact CE2-CE2 3.7Å; F88-F130 HydrophobicContact CE2-CE2 3.7Å; F88-F130 HydrophobicContact CZ-CD2 4.48Å; F88-F130 AromaticContact CZ-CE2 3.88Å; F88-F130 HydrophobicContact CZ-CE2 3.88Å; F125-F130 HydrophobicContact CD2-CE1 4.4Å; F125-F130 HydrophobicContact CD2-CZ 4.46Å; F125-F130 HydrophobicContact CE2-CE1 4.01Å; F125-F130 AromaticContact CE2-CZ 3.67Å; F125-F130 HydrophobicContact CE2-CZ 3.67Å; F125-F130 AromaticContact CZ-CZ 3.9Å; F125-F130 HydrophobicContact CZ-CZ 3.9Å; R128-F130 HydrophobicContact CB-CD1 3.58Å; R128-F130 HydrophobicContact CB-CE1 3.86Å; R128-F130 HydrophobicContact CG-CD1 4.4Å; R128-F130 HydrophobicContact CG-CE1 4.42Å; R128-F130 PolarHBondContact O-N 3.15Å; F130-S132 PolarHBondContact O-N 3.31Å; F130-Q133 WeakPolarHBondContact O-CB 3.4Å; F130-Q133 PolarHBondContact O-N 3.42Å |
| 131 | L | 62.7 | Low | 61.9 | Low | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.016 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.4 | -22.8 | 175.1 | -72.2 | 174.4 | 0 | 0 | 0 | 111 | L100 F125 L126 R128 P129 Q133 V134 W135 | L100-L131 HydrophobicContact CD1-CD2 4.07Å; F125-L131 HydrophobicContact CD1-CD1 4.33Å; F125-L131 HydrophobicContact CE1-CD1 4.12Å; F125-L131 VanDerWaalsContact O-CD1 3.25Å; F125-L131 WeakPolarHBondContact O-CD1 3.44Å; L126-L131 VanDerWaalsContact CA-CD1 3.48Å; L126-L131 HydrophobicContact CD2-CD1 4.38Å; L126-L131 WeakPolarHBondContact O-CD1 3.32Å; R128-L131 PolarHBondContact O-N 3.1Å; P129-L131 VanDerWaalsContact C-N 3.26Å; P129-L131 PolarHBondContact O-N 3.18Å; L131-Q133 PolarHBondContact O-N 2.83Å; L131-V134 HydrophobicContact CD2-CG2 4.44Å; L131-V134 CarbonylContact O-C 3.59Å; L131-V134 WeakPolarHBondContact O-CB 3.42Å; L131-V134 PolarHBondContact O-N 2.89Å; L131-V134 VanDerWaalsContact O-N 3.08Å; L131-W135 WeakPolarHBondContact O-CB 2.84Å; L131-W135 VanDerWaalsContact O-CG 3.25Å; L131-W135 PolarHBondContact O-N 2.99Å |
| 132 | S | 61.2 | Low | 61.8 | Low | 49 Ų | 49 | 44.5 Ų | 44.5 | 34% | 0.343 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.9 | -30.8 | 174.3 | 85.8 | 0 | 0 | 0 | 0 | 112.3 | P129 F130 S136 | P129-S132 VanDerWaalsContact O-CB 3.23Å; P129-S132 WeakPolarHBondContact O-CB 3.27Å; P129-S132 PolarHBondContact O-N 2.92Å; P129-S132 PolarHBondContact O-OG 2.71Å; F130-S132 PolarHBondContact O-N 3.31Å; S132-S136 VanDerWaalsContact O-CB 3.25Å; S132-S136 WeakPolarHBondContact O-CB 3.47Å; S132-S136 PolarHBondContact O-N 3.03Å; S132-S136 PolarHBondContact O-OG 3.06Å |
| 133 | Q | 64.5 | Low | 61.2 | Low | 123 Ų | 123 | 48.9 Ų | 48.9 | 58% | 0.575 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -66.8 | -45.3 | 172.8 | -68.1 | -176.9 | -16.5 | 0 | 0 | 110.7 | F130 L131 S136 R137 | F130-Q133 WeakPolarHBondContact O-CB 3.4Å; F130-Q133 PolarHBondContact O-N 3.42Å; L131-Q133 PolarHBondContact O-N 2.83Å; Q133-S136 WeakPolarHBondContact CA-OG 3.11Å; Q133-S136 PolarHBondContact O-N 3.47Å; Q133-S136 PolarHBondContact O-OG 3.17Å; Q133-R137 WeakPolarHBondContact O-CG 3.46Å; Q133-R137 PolarHBondContact O-N 3.48Å |
| 134 | V | 66.5 | Low | 60.7 | Low | 5 Ų | 5 | 53.9 Ų | 53.9 | 3% | 0.03 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.6 | -44 | 175.7 | -174.8 | 0 | 0 | 0 | 0 | 111 | F88 D96 L100 L131 R137 L138 | F88-V134 HydrophobicContact CD1-CG2 4.22Å; F88-V134 HydrophobicContact CE1-CG2 3.56Å; F88-V134 HydrophobicContact CZ-CG2 3.92Å; D96-V134 HydrophobicContact CB-CG1 4.14Å; L100-V134 HydrophobicContact CB-CG1 4.47Å; L100-V134 HydrophobicContact CD2-CG1 3.91Å; L131-V134 HydrophobicContact CD2-CG2 4.44Å; L131-V134 CarbonylContact O-C 3.59Å; L131-V134 WeakPolarHBondContact O-CB 3.42Å; L131-V134 PolarHBondContact O-N 2.89Å; L131-V134 VanDerWaalsContact O-N 3.08Å; V134-R137 CarbonylContact O-C 3.43Å; V134-R137 WeakPolarHBondContact O-CB 3.26Å; V134-R137 PolarHBondContact O-N 2.92Å; V134-L138 PolarHBondContact O-N 3.45Å |
| 135 | W | 66.4 | Low | 60.2 | Low | 6 Ų | 6 | 51.8 Ų | 51.8 | 2% | 0.023 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 175.4 | -67.5 | 124.8 | 0 | 0 | 0 | 112.7 | L100 I104 L131 R137 L138 I163 L166 F243 L247 I250 F251 | L100-W135 HydrophobicContact CD1-CH2 4.41Å; L100-W135 HydrophobicContact CD1-CZ2 4.15Å; L100-W135 HydrophobicContact CD2-CD2 3.9Å; L100-W135 HydrophobicContact CD2-CE3 3.76Å; L100-W135 HydrophobicContact CD2-CH2 3.61Å; L100-W135 HydrophobicContact CD2-CZ2 3.76Å; L100-W135 HydrophobicContact CD2-CZ3 3.6Å; L100-W135 HydrophobicContact CG-CH2 4.12Å; L100-W135 HydrophobicContact CG-CZ2 4.3Å; L100-W135 HydrophobicContact CG-CZ3 4.47Å; I104-W135 HydrophobicContact CD1-CH2 3.72Å; I104-W135 HydrophobicContact CD1-CZ2 4.35Å; L131-W135 WeakPolarHBondContact O-CB 2.84Å; L131-W135 VanDerWaalsContact O-CG 3.25Å; L131-W135 PolarHBondContact O-N 2.99Å; W135-R137 VanDerWaalsContact C-N 3.31Å; W135-R137 PolarHBondContact O-N 3.24Å; W135-L138 HydrophobicContact CE3-CD1 4.09Å; W135-L138 HydrophobicContact CZ3-CD1 4.15Å; W135-L138 WeakPolarHBondContact O-CB 3.28Å; W135-L138 PolarHBondContact O-N 3.14Å; W135-I163 HydrophobicContact CH2-CG2 4.47Å; W135-I163 HydrophobicContact CZ3-CG2 4.21Å; W135-L166 HydrophobicContact CH2-CD1 3.47Å; W135-L166 VanDerWaalsContact CH2-CD1 3.47Å; W135-L166 HydrophobicContact CZ2-CD1 3.87Å; W135-F243 HydrophobicContact CZ2-CE2 4.22Å; W135-F243 HydrophobicContact CZ2-CZ 4.46Å; W135-L247 HydrophobicContact CD2-CD2 4.44Å; W135-L247 HydrophobicContact CE3-CD2 4.47Å; W135-L247 HydrophobicContact CH2-CD2 4.09Å; W135-L247 HydrophobicContact CZ2-CD2 4.05Å; W135-L247 HydrophobicContact CZ3-CD2 4.31Å; W135-I250 HydrophobicContact CB-CD1 3.46Å; W135-I250 VanDerWaalsContact CB-CD1 3.46Å; W135-I250 HydrophobicContact CB-CG1 4.42Å; W135-I250 HydrophobicContact CG-CD1 4Å; W135-F251 AromaticContact CE3-CE2 3.79Å; W135-F251 HydrophobicContact CE3-CE2 3.79Å; W135-F251 AromaticContact CE3-CZ 3.96Å; W135-F251 HydrophobicContact CE3-CZ 3.96Å; W135-F251 HydrophobicContact CH2-CE2 4.44Å; W135-F251 AromaticContact CZ3-CE2 3.58Å; W135-F251 HydrophobicContact CZ3-CE2 3.58Å; W135-F251 AromaticContact CZ3-CZ 3.65Å; W135-F251 HydrophobicContact CZ3-CZ 3.65Å |
| 136 | S | 64.9 | Low | 59.6 | Low | 63 Ų | 63 | 55.7 Ų | 55.7 | 44% | 0.441 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.9 | -36.2 | 176.1 | 69.4 | 0 | 0 | 0 | 0 | 112 | S132 Q133 L138 I139 | S132-S136 VanDerWaalsContact O-CB 3.25Å; S132-S136 WeakPolarHBondContact O-CB 3.47Å; S132-S136 PolarHBondContact O-N 3.03Å; S132-S136 PolarHBondContact O-OG 3.06Å; Q133-S136 WeakPolarHBondContact CA-OG 3.11Å; Q133-S136 PolarHBondContact O-N 3.47Å; Q133-S136 PolarHBondContact O-OG 3.17Å; S136-L138 PolarHBondContact O-N 3.11Å; S136-I139 PolarHBondContact O-N 3.38Å |
| 137 | R | 63.7 | Low | 59.1 | Low | 119 Ų | 119 | 60.5 Ų | 60.5 | 45% | 0.449 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68.4 | -21.9 | 170.2 | -71.5 | 176.1 | -170.7 | 178.9 | 0.1 | 112 | D96 Q133 V134 W135 I139 G141 | D96-R137 WeakPolarHBondContact OD2-CD 3.12Å; D96-R137 IonicContact OD2-NH1 2.72Å; D96-R137 PolarHBondContact OD2-NH1 3.05Å; Q133-R137 WeakPolarHBondContact O-CG 3.46Å; Q133-R137 PolarHBondContact O-N 3.48Å; V134-R137 CarbonylContact O-C 3.43Å; V134-R137 WeakPolarHBondContact O-CB 3.26Å; V134-R137 PolarHBondContact O-N 2.92Å; W135-R137 VanDerWaalsContact C-N 3.31Å; W135-R137 PolarHBondContact O-N 3.24Å; R137-I139 VanDerWaalsContact C-N 3.29Å; R137-I139 PolarHBondContact O-N 2.79Å; R137-G141 WeakPolarHBondContact O-CA 3.48Å; R137-G141 PolarHBondContact O-N 2.96Å |
| 138 | L | 62.1 | Low | 58.9 | Low | 2 Ų | 2 | 64.1 Ų | 64.1 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.1 | -33 | 178 | -157.7 | 136.9 | 0 | 0 | 0 | 111.8 | V97 V134 W135 S136 I142 I163 F251 | V97-L138 HydrophobicContact CB-CD1 4.27Å; V97-L138 HydrophobicContact CG1-CD1 3.49Å; V97-L138 VanDerWaalsContact CG1-CD1 3.49Å; V97-L138 HydrophobicContact CG1-CG 4.05Å; V97-L138 HydrophobicContact CG2-CB 4.39Å; V97-L138 HydrophobicContact CG2-CD1 3.95Å; V97-L138 HydrophobicContact CG2-CG 4.07Å; V134-L138 PolarHBondContact O-N 3.45Å; W135-L138 HydrophobicContact CE3-CD1 4.09Å; W135-L138 HydrophobicContact CZ3-CD1 4.15Å; W135-L138 WeakPolarHBondContact O-CB 3.28Å; W135-L138 PolarHBondContact O-N 3.14Å; S136-L138 PolarHBondContact O-N 3.11Å; L138-I142 HydrophobicContact CD2-CD1 3.55Å; L138-I142 HydrophobicContact CD2-CG1 4.41Å; L138-I142 HydrophobicContact CG-CD1 4.18Å; L138-I142 VanDerWaalsContact O-CB 3.29Å; L138-I142 WeakPolarHBondContact O-CB 3.18Å; L138-I142 WeakPolarHBondContact O-CD1 3.26Å; L138-I142 WeakPolarHBondContact O-CG1 3.27Å; L138-I142 PolarHBondContact O-N 3.32Å; L138-I163 HydrophobicContact CD1-CD1 3.75Å; L138-F251 HydrophobicContact CD1-CZ 4.4Å; L138-F251 HydrophobicContact CD2-CE1 3.44Å; L138-F251 VanDerWaalsContact CD2-CE1 3.44Å; L138-F251 HydrophobicContact CD2-CZ 3.56Å |
| 139 | I | 60.2 | Low | 58.7 | Low | 85 Ų | 85 | 61.8 Ų | 61.8 | 44% | 0.436 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -71.6 | -57 | 175 | -61 | 171.8 | 0 | 0 | 0 | 110.7 | S136 R137 G141 T143 I250 | S136-I139 PolarHBondContact O-N 3.38Å; R137-I139 VanDerWaalsContact C-N 3.29Å; R137-I139 PolarHBondContact O-N 2.79Å; I139-G141 VanDerWaalsContact C-N 3.25Å; I139-G141 PolarHBondContact O-N 2.92Å; I139-T143 PolarHBondContact O-OG1 3.04Å; I139-I250 HydrophobicContact CD1-CG2 4.16Å; I139-I250 HydrophobicContact CG1-CG2 4.21Å |
| 140 | N | 57.5 | Low | 59.2 | Low | 110 Ų | 110 | 64.1 Ų | 64.1 | 59% | 0.588 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -68 | -31.5 | -179.3 | -67.6 | -15.2 | 0 | 0 | 0 | 112 | T143 L144 | N140-T143 WeakPolarHBondContact O-CB 3.36Å; N140-T143 PolarHBondContact O-N 3.18Å; N140-L144 WeakPolarHBondContact O-CD1 3.49Å; N140-L144 WeakPolarHBondContact O-CG 3.31Å; N140-L144 PolarHBondContact O-N 3.21Å |
| 141 | G | 50.6 | Low | 59.4 | Low | 13 Ų | 13 | 65.9 Ų | 65.9 | 13% | 0.134 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -83.7 | -31 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R137 I139 T143 L144 C145 | R137-G141 WeakPolarHBondContact O-CA 3.48Å; R137-G141 PolarHBondContact O-N 2.96Å; I139-G141 VanDerWaalsContact C-N 3.25Å; I139-G141 PolarHBondContact O-N 2.92Å; G141-T143 PolarHBondContact O-N 3.26Å; G141-L144 CarbonylContact O-C 3.57Å; G141-L144 PolarHBondContact O-N 3.36Å; G141-C145 WeakPolarHBondContact O-CA 3.42Å; G141-C145 WeakPolarHBondContact O-CB 3.02Å; G141-C145 PolarHBondContact O-N 2.91Å; G141-C145 PolarHBondContact O-SG 3.21Å |
| 142 | I | 55.2 | Low | 59.8 | Low | 45 Ų | 45 | 66.1 Ų | 66.1 | 23% | 0.231 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.7 | -41.8 | 165.5 | -75.2 | 167.3 | 0 | 0 | 0 | 109 | L138 I146 L156 L160 | L138-I142 HydrophobicContact CD2-CD1 3.55Å; L138-I142 HydrophobicContact CD2-CG1 4.41Å; L138-I142 HydrophobicContact CG-CD1 4.18Å; L138-I142 VanDerWaalsContact O-CB 3.29Å; L138-I142 WeakPolarHBondContact O-CB 3.18Å; L138-I142 WeakPolarHBondContact O-CD1 3.26Å; L138-I142 WeakPolarHBondContact O-CG1 3.27Å; L138-I142 PolarHBondContact O-N 3.32Å; I142-I146 HydrophobicContact CG2-CD1 3.75Å; I142-I146 WeakPolarHBondContact O-CB 3.37Å; I142-I146 WeakPolarHBondContact O-CD1 3.21Å; I142-I146 WeakPolarHBondContact O-CG1 3.23Å; I142-I146 PolarHBondContact O-N 3.43Å; I142-I146 VanDerWaalsContact O-N 3.09Å; I142-L156 HydrophobicContact CG1-CD1 4.38Å; I142-L156 HydrophobicContact CG2-CD2 4.25Å; I142-L160 HydrophobicContact CD1-CD2 4.36Å |
| 143 | T | 51.2 | Low | 60.5 | Low | 96 Ų | 96 | 68.5 Ų | 68.5 | 59% | 0.589 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63.8 | -44.8 | 174.3 | -44.5 | 0 | 0 | 0 | 0 | 112.6 | I139 N140 G141 | I139-T143 PolarHBondContact O-OG1 3.04Å; N140-T143 WeakPolarHBondContact O-CB 3.36Å; N140-T143 PolarHBondContact O-N 3.18Å; G141-T143 PolarHBondContact O-N 3.26Å |
| 144 | L | 48.7 | Very low | 61.1 | Low | 108 Ų | 108 | 68.8 Ų | 68.8 | 57% | 0.565 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -74.5 | -30.3 | 178.8 | -77.4 | 154.3 | 0 | 0 | 0 | 114.1 | N140 G141 T147 C148 | N140-L144 WeakPolarHBondContact O-CD1 3.49Å; N140-L144 WeakPolarHBondContact O-CG 3.31Å; N140-L144 PolarHBondContact O-N 3.21Å; G141-L144 CarbonylContact O-C 3.57Å; G141-L144 PolarHBondContact O-N 3.36Å; L144-T147 WeakPolarHBondContact CA-OG1 3.44Å; L144-T147 PolarHBondContact O-N 2.84Å; L144-T147 PolarHBondContact O-OG1 2.82Å; L144-C148 WeakPolarHBondContact O-CB 3.28Å; L144-C148 PolarHBondContact O-N 3.45Å; L144-C148 PolarHBondContact O-SG 2.94Å; L144-C148 VanDerWaalsContact O-SG 3.33Å |
| 145 | C | 51.8 | Low | 61.8 | Low | 15 Ų | 15 | 69.1 Ų | 69.1 | 10% | 0.101 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -71.9 | -39.8 | 177.9 | -77.1 | 0 | 0 | 0 | 0 | 110.8 | G94 G141 T147 C148 N149 L152 | G94-C145 WeakPolarHBondContact CA-SG 3.33Å; G141-C145 WeakPolarHBondContact O-CA 3.42Å; G141-C145 WeakPolarHBondContact O-CB 3.02Å; G141-C145 PolarHBondContact O-N 2.91Å; G141-C145 PolarHBondContact O-SG 3.21Å; C145-T147 PolarHBondContact O-N 3.42Å; C145-C148 PolarHBondContact O-N 3.14Å; C145-N149 PolarHBondContact O-N 2.85Å; C145-L152 HydrophobicContact CB-CD2 3.57Å; C145-L152 HydrophobicContact CB-CG 4.36Å; C145-L152 WeakPolarHBondContact SG-CD2 3.38Å |
| 146 | I | 53.6 | Low | 62.6 | Low | 86 Ų | 86 | 70 Ų | 70 | 44% | 0.441 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.6 | -32.4 | 173.3 | -68.3 | 164.2 | 0 | 0 | 0 | 110.5 | I142 L156 | I142-I146 HydrophobicContact CG2-CD1 3.75Å; I142-I146 WeakPolarHBondContact O-CB 3.37Å; I142-I146 WeakPolarHBondContact O-CD1 3.21Å; I142-I146 WeakPolarHBondContact O-CG1 3.23Å; I142-I146 PolarHBondContact O-N 3.43Å; I142-I146 VanDerWaalsContact O-N 3.09Å; I146-L156 HydrophobicContact CG1-CD2 4.48Å |
| 147 | T | 55 | Low | 63.5 | Low | 103 Ų | 103 | 70.3 Ų | 70.3 | 63% | 0.632 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -83 | -21.2 | -179.1 | 52.6 | 0 | 0 | 0 | 0 | 115 | L144 C145 | L144-T147 WeakPolarHBondContact CA-OG1 3.44Å; L144-T147 PolarHBondContact O-N 2.84Å; L144-T147 PolarHBondContact O-OG1 2.82Å; C145-T147 PolarHBondContact O-N 3.42Å |
| 148 | C | 56.5 | Low | 64.7 | Low | 99 Ų | 99 | 67.3 Ų | 67.3 | 67% | 0.669 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -118.5 | -19.6 | -163 | -65 | 0 | 0 | 0 | 0 | 116.2 | L144 C145 | L144-C148 WeakPolarHBondContact O-CB 3.28Å; L144-C148 PolarHBondContact O-N 3.45Å; L144-C148 PolarHBondContact O-SG 2.94Å; L144-C148 VanDerWaalsContact O-SG 3.33Å; C145-C148 PolarHBondContact O-N 3.14Å |
| 149 | N | 64.5 | Low | 65.9 | Low | 52 Ų | 52 | 67.3 Ų | 67.3 | 28% | 0.278 | 37% | 0.369 | S | S | . | . | trans | -147.8 | 112 | -174.8 | -163.7 | -14.3 | 0 | 0 | 0 | 114.1 | C145 S151 L152 Q153 | C145-N149 PolarHBondContact O-N 2.85Å; N149-S151 PolarHBondContact O-N 2.89Å; N149-S151 PolarHBondContact OD1-N 3.06Å; N149-S151 PolarHBondContact OD1-OG 2.93Å; N149-L152 HydrophobicContact CB-CB 4.07Å; N149-L152 PolarHBondContact O-N 3.05Å; N149-Q153 PolarHBondContact O-N 2.72Å | ||
| 150 | F | 65.8 | Low | 67.1 | Low | 145 Ų | 145 | 65.8 Ų | 65.8 | 64% | 0.636 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62 | -39.9 | -177.7 | -172.7 | -94.8 | 0 | 0 | 0 | 113.3 | L152 Q153 E154 | F150-L152 VanDerWaalsContact C-N 3.29Å; F150-L152 PolarHBondContact O-N 3.4Å; F150-Q153 WeakPolarHBondContact O-CB 3.45Å; F150-Q153 PolarHBondContact O-N 2.87Å; F150-E154 HydrophobicContact CE1-CG 4.33Å; F150-E154 VanDerWaalsContact CE1-OE1 3.26Å; F150-E154 WeakPolarHBondContact CE1-OE1 3.36Å; F150-E154 PolarHBondContact O-N 3.45Å |
| 151 | S | 65.2 | Low | 68.6 | Low | 57 Ų | 57 | 65.1 Ų | 65.1 | 40% | 0.399 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.5 | -32.2 | -179.5 | 63.6 | 0 | 0 | 0 | 0 | 112.5 | N149 A155 | N149-S151 PolarHBondContact O-N 2.89Å; N149-S151 PolarHBondContact OD1-N 3.06Å; N149-S151 PolarHBondContact OD1-OG 2.93Å; S151-A155 PolarHBondContact O-N 2.64Å |
| 152 | L | 71.2 | Confident | 70.4 | Confident | 7 Ų | 7 | 64.5 Ų | 64.5 | 4% | 0.037 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -72.2 | -34.7 | 176.3 | -171.7 | 61.7 | 0 | 0 | 0 | 111.5 | P48 C98 C145 N149 F150 A155 L156 | P48-L152 HydrophobicContact CB-CD1 4.48Å; P48-L152 HydrophobicContact CG-CD1 4.17Å; C98-L152 WeakPolarHBondContact SG-CD1 3.46Å; C145-L152 HydrophobicContact CB-CD2 3.57Å; C145-L152 HydrophobicContact CB-CG 4.36Å; C145-L152 WeakPolarHBondContact SG-CD2 3.38Å; N149-L152 HydrophobicContact CB-CB 4.07Å; N149-L152 PolarHBondContact O-N 3.05Å; F150-L152 VanDerWaalsContact C-N 3.29Å; F150-L152 PolarHBondContact O-N 3.4Å; L152-A155 PolarHBondContact O-N 3.29Å; L152-L156 WeakPolarHBondContact O-CB 3.33Å; L152-L156 PolarHBondContact O-N 2.62Å |
| 153 | Q | 74.3 | Confident | 71.9 | Confident | 99 Ų | 99 | 62.5 Ų | 62.5 | 46% | 0.463 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61 | -43 | 176.2 | -174.3 | -178.9 | -12.2 | 0 | 0 | 111.9 | N149 F150 | N149-Q153 PolarHBondContact O-N 2.72Å; F150-Q153 WeakPolarHBondContact O-CB 3.45Å; F150-Q153 PolarHBondContact O-N 2.87Å |
| 154 | E | 79 | Confident | 73.7 | Confident | 129 Ų | 129 | 61.1 Ų | 61.1 | 60% | 0.603 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -67.3 | -35.9 | 177.8 | -69.6 | -172.6 | 164.5 | 0 | 0 | 112.9 | F150 P157 | F150-E154 HydrophobicContact CE1-CG 4.33Å; F150-E154 VanDerWaalsContact CE1-OE1 3.26Å; F150-E154 WeakPolarHBondContact CE1-OE1 3.36Å; F150-E154 PolarHBondContact O-N 3.45Å; E154-P157 WeakPolarHBondContact O-CD 3.15Å |
| 155 | A | 80.8 | Confident | 75.7 | Confident | 12 Ų | 12 | 56.7 Ų | 56.7 | 10% | 0.099 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -82.7 | -19.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | P48 S151 L152 P157 H158 V159 | P48-A155 HydrophobicContact CB-CB 3.28Å; P48-A155 HydrophobicContact CG-CB 4.36Å; S151-A155 PolarHBondContact O-N 2.64Å; L152-A155 PolarHBondContact O-N 3.29Å; A155-P157 VanDerWaalsContact C-CD 3.45Å; A155-H158 WeakPolarHBondContact O-CA 3.24Å; A155-H158 WeakPolarHBondContact O-CB 3.43Å; A155-H158 PolarHBondContact O-N 3.19Å; A155-V159 PolarHBondContact O-N 2.64Å; A155-V159 VanDerWaalsContact O-N 3.08Å |
| 156 | L | 81.9 | Confident | 77.6 | Confident | 26 Ų | 26 | 56 Ų | 56 | 14% | 0.136 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -54 | -41.9 | -174.9 | -175.1 | 62.8 | 0 | 0 | 0 | 114.1 | I142 I146 L152 H158 V159 L160 | I142-L156 HydrophobicContact CG1-CD1 4.38Å; I142-L156 HydrophobicContact CG2-CD2 4.25Å; I146-L156 HydrophobicContact CG1-CD2 4.48Å; L152-L156 WeakPolarHBondContact O-CB 3.33Å; L152-L156 PolarHBondContact O-N 2.62Å; L156-H158 PolarHBondContact O-N 3.1Å; L156-V159 PolarHBondContact O-N 3Å; L156-V159 VanDerWaalsContact O-N 3.13Å; L156-L160 HydrophobicContact CD1-CG 4.39Å; L156-L160 HydrophobicContact CG-CD1 4.35Å; L156-L160 HydrophobicContact CG-CG 4.41Å; L156-L160 WeakPolarHBondContact O-CG 3.49Å; L156-L160 PolarHBondContact O-N 3.26Å |
| 157 | P | 85.4 | Confident | 79.3 | Confident | 69 Ų | 69 | 52.4 Ų | 52.4 | 45% | 0.448 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.3 | -33.5 | 175 | -24.8 | 35.3 | 0 | 0 | 0 | 113.4 | E154 A155 K161 | E154-P157 WeakPolarHBondContact O-CD 3.15Å; A155-P157 VanDerWaalsContact C-CD 3.45Å; P157-K161 WeakPolarHBondContact O-CG 3.15Å; P157-K161 PolarHBondContact O-N 2.79Å; P157-K161 VanDerWaalsContact O-N 3.16Å |
| 158 | H | 88.4 | Confident | 81 | Confident | 56 Ų | 56 | 50.3 Ų | 50.3 | 26% | 0.259 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -75.6 | -38.4 | 176.4 | -60.4 | -61.8 | 0 | 0 | 0 | 111.8 | A49 W52 A155 L156 L160 K161 Q162 | A49-H158 HydrophobicContact CB-CB 3.49Å; A49-H158 VanDerWaalsContact CB-CB 3.49Å; W52-H158 AromaticContact CD1-ND1 3.79Å; W52-H158 HydrophobicContact CG-CB 4.45Å; W52-H158 AromaticContact NE1-ND1 3.4Å; W52-H158 PolarHBondContact NE1-ND1 3.48Å; A155-H158 WeakPolarHBondContact O-CA 3.24Å; A155-H158 WeakPolarHBondContact O-CB 3.43Å; A155-H158 PolarHBondContact O-N 3.19Å; L156-H158 PolarHBondContact O-N 3.1Å; H158-L160 VanDerWaalsContact C-N 3.34Å; H158-K161 WeakPolarHBondContact O-CB 3.18Å; H158-K161 PolarHBondContact O-N 2.95Å; H158-Q162 WeakPolarHBondContact O-CG 3.46Å; H158-Q162 PolarHBondContact O-N 3.11Å |
| 159 | V | 86.5 | Confident | 82.6 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.8 | -39.5 | 174.8 | -178.5 | 0 | 0 | 0 | 0 | 111.1 | A49 V97 A155 L156 K161 Q162 I163 | A49-V159 HydrophobicContact CB-CG2 4.16Å; V97-V159 HydrophobicContact CG1-CG1 3.86Å; A155-V159 PolarHBondContact O-N 2.64Å; A155-V159 VanDerWaalsContact O-N 3.08Å; L156-V159 PolarHBondContact O-N 3Å; L156-V159 VanDerWaalsContact O-N 3.13Å; V159-K161 PolarHBondContact O-N 3.41Å; V159-Q162 WeakPolarHBondContact O-CB 3.49Å; V159-Q162 PolarHBondContact O-N 2.7Å; V159-Q162 VanDerWaalsContact O-N 3.13Å; V159-I163 HydrophobicContact CG1-CD1 4.23Å; V159-I163 WeakPolarHBondContact O-CG1 3.23Å; V159-I163 PolarHBondContact O-N 3.32Å |
| 160 | L | 85.2 | Confident | 83.7 | Confident | 54 Ų | 54 | 52.2 Ų | 52.2 | 28% | 0.283 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62 | -41.6 | 172.8 | -70.7 | 175.2 | 0 | 0 | 0 | 112.1 | I142 L156 H158 Q162 I163 Q164 | I142-L160 HydrophobicContact CD1-CD2 4.36Å; L156-L160 HydrophobicContact CD1-CG 4.39Å; L156-L160 HydrophobicContact CG-CD1 4.35Å; L156-L160 HydrophobicContact CG-CG 4.41Å; L156-L160 WeakPolarHBondContact O-CG 3.49Å; L156-L160 PolarHBondContact O-N 3.26Å; H158-L160 VanDerWaalsContact C-N 3.34Å; L160-Q162 VanDerWaalsContact C-N 3.28Å; L160-Q162 PolarHBondContact O-N 3Å; L160-I163 HydrophobicContact CD2-CD1 4.43Å; L160-I163 PolarHBondContact O-N 3.13Å; L160-Q164 WeakPolarHBondContact O-CG 3.49Å; L160-Q164 PolarHBondContact O-N 3.41Å |
| 161 | K | 88.5 | Confident | 84.7 | Confident | 96 Ų | 96 | 45.3 Ų | 45.3 | 42% | 0.417 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.8 | -36.6 | 172.2 | -75.3 | 176 | -179.5 | -178.9 | 0 | 112.4 | W52 P157 H158 V159 | W52-K161 HydrophobicContact CE3-CB 4.39Å; W52-K161 HydrophobicContact CH2-CB 3.95Å; W52-K161 HydrophobicContact CH2-CD 3.87Å; W52-K161 HydrophobicContact CH2-CG 4.44Å; W52-K161 HydrophobicContact CZ2-CB 4.45Å; W52-K161 HydrophobicContact CZ2-CD 3.79Å; W52-K161 HydrophobicContact CZ3-CB 3.91Å; P157-K161 WeakPolarHBondContact O-CG 3.15Å; P157-K161 PolarHBondContact O-N 2.79Å; P157-K161 VanDerWaalsContact O-N 3.16Å; H158-K161 WeakPolarHBondContact O-CB 3.18Å; H158-K161 PolarHBondContact O-N 2.95Å; V159-K161 PolarHBondContact O-N 3.41Å |
| 162 | Q | 89.7 | Confident | 85.9 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.6 | -43.7 | 173.7 | -68.1 | 172.6 | -51.6 | 0 | 0 | 111.4 | T51 W52 G101 N102 I104 H105 H158 V159 L160 Q164 L165 | T51-Q162 PolarHBondContact OG1-NE2 3.37Å; W52-Q162 HydrophobicContact CB-CG 4.13Å; W52-Q162 HydrophobicContact CE3-CG 4.23Å; G101-Q162 WeakPolarHBondContact O-CB 3.4Å; N102-Q162 PolarHBondContact OD1-NE2 3.49Å; I104-Q162 WeakPolarHBondContact CG2-O 3.46Å; H105-Q162 HydrophobicContact CB-CG 4.19Å; H158-Q162 WeakPolarHBondContact O-CG 3.46Å; H158-Q162 PolarHBondContact O-N 3.11Å; V159-Q162 WeakPolarHBondContact O-CB 3.49Å; V159-Q162 PolarHBondContact O-N 2.7Å; V159-Q162 VanDerWaalsContact O-N 3.13Å; L160-Q162 VanDerWaalsContact C-N 3.28Å; L160-Q162 PolarHBondContact O-N 3Å; Q162-Q164 VanDerWaalsContact C-N 3.35Å; Q162-Q164 PolarHBondContact O-N 3.2Å; Q162-L165 VanDerWaalsContact O-CB 3.23Å; Q162-L165 WeakPolarHBondContact O-CB 3.39Å; Q162-L165 WeakPolarHBondContact O-CG 3.44Å; Q162-L165 PolarHBondContact O-N 2.87Å; Q162-L165 VanDerWaalsContact O-N 3.16Å |
| 163 | I | 86.7 | Confident | 86.7 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.5 | -41.8 | 177.8 | -67.3 | 163.3 | 0 | 0 | 0 | 111.3 | V97 I104 W135 L138 V159 L160 L165 L166 W167 F251 | V97-I163 HydrophobicContact CG1-CD1 4.28Å; I104-I163 HydrophobicContact CD1-CG1 4.17Å; W135-I163 HydrophobicContact CH2-CG2 4.47Å; W135-I163 HydrophobicContact CZ3-CG2 4.21Å; L138-I163 HydrophobicContact CD1-CD1 3.75Å; V159-I163 HydrophobicContact CG1-CD1 4.23Å; V159-I163 WeakPolarHBondContact O-CG1 3.23Å; V159-I163 PolarHBondContact O-N 3.32Å; L160-I163 HydrophobicContact CD2-CD1 4.43Å; L160-I163 PolarHBondContact O-N 3.13Å; I163-L165 PolarHBondContact O-N 2.7Å; I163-L166 WeakPolarHBondContact O-CB 3.43Å; I163-L166 WeakPolarHBondContact O-CG 3.44Å; I163-L166 PolarHBondContact O-N 3.28Å; I163-W167 HydrophobicContact CG2-CH2 4.12Å; I163-W167 HydrophobicContact CG2-CZ3 4.06Å; I163-F251 HydrophobicContact CG2-CE1 4.09Å; I163-F251 HydrophobicContact CG2-CE2 4.04Å; I163-F251 HydrophobicContact CG2-CZ 3.55Å |
| 164 | Q | 89.6 | Confident | 87.1 | Confident | 67 Ų | 67 | 39.2 Ų | 39.2 | 31% | 0.313 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -56 | -22.8 | 175.5 | -81.6 | 170.9 | -12.6 | 0 | 0 | 113.6 | L160 Q162 L166 W167 H168 | L160-Q164 WeakPolarHBondContact O-CG 3.49Å; L160-Q164 PolarHBondContact O-N 3.41Å; Q162-Q164 VanDerWaalsContact C-N 3.35Å; Q162-Q164 PolarHBondContact O-N 3.2Å; Q164-L166 PolarHBondContact O-N 2.92Å; Q164-L166 VanDerWaalsContact O-N 3.13Å; Q164-W167 HydrophobicContact CB-CH2 4.47Å; Q164-W167 HydrophobicContact CB-CZ2 3.94Å; Q164-W167 HydrophobicContact CG-CH2 3.98Å; Q164-W167 HydrophobicContact CG-CZ2 3.33Å; Q164-W167 PolarHBondContact O-N 2.86Å; Q164-H168 PolarHBondContact O-N 3.11Å |
| 165 | L | 90.9 | Very high | 87.4 | Confident | 16 Ų | 16 | 33.3 Ų | 33.3 | 8% | 0.084 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -62.8 | -17.8 | 174.9 | -59.7 | 172.3 | 0 | 0 | 0 | 112.9 | I104 H105 Y108 Q162 I163 W167 H168 T171 | I104-L165 HydrophobicContact CG2-CB 4.17Å; H105-L165 HydrophobicContact CB-CD1 4.15Å; H105-L165 VanDerWaalsContact CD2-CD1 3.41Å; H105-L165 WeakPolarHBondContact CD2-CD1 3.07Å; Y108-L165 HydrophobicContact CD1-CD1 4.11Å; Y108-L165 HydrophobicContact CD1-CD2 4.36Å; Y108-L165 HydrophobicContact CD2-CB 4.2Å; Y108-L165 HydrophobicContact CD2-CD2 3.98Å; Y108-L165 HydrophobicContact CD2-CG 4.48Å; Y108-L165 HydrophobicContact CE1-CD2 4.45Å; Y108-L165 HydrophobicContact CE2-CD2 4.07Å; Y108-L165 HydrophobicContact CG-CB 4.24Å; Y108-L165 HydrophobicContact CG-CD1 3.94Å; Y108-L165 HydrophobicContact CG-CD2 4.11Å; Y108-L165 HydrophobicContact CG-CG 4.32Å; Q162-L165 VanDerWaalsContact O-CB 3.23Å; Q162-L165 WeakPolarHBondContact O-CB 3.39Å; Q162-L165 WeakPolarHBondContact O-CG 3.44Å; Q162-L165 PolarHBondContact O-N 2.87Å; Q162-L165 VanDerWaalsContact O-N 3.16Å; I163-L165 PolarHBondContact O-N 2.7Å; L165-W167 VanDerWaalsContact C-N 3.28Å; L165-W167 PolarHBondContact O-N 3.18Å; L165-H168 HydrophobicContact CD2-CB 4.49Å; L165-H168 WeakPolarHBondContact O-CB 3.28Å; L165-H168 PolarHBondContact O-N 3.39Å; L165-T171 WeakPolarHBondContact O-CB 3.5Å; L165-T171 PolarHBondContact O-OG1 3.45Å |
| 166 | L | 89.6 | Confident | 87.7 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -63 | -30.9 | 176.2 | -75.9 | 173.8 | 0 | 0 | 0 | 113.9 | I104 L126 W135 I163 Q164 F175 F243 Y244 L247 | I104-L166 HydrophobicContact CD1-CD1 3.7Å; I104-L166 HydrophobicContact CD1-CD2 4.42Å; I104-L166 HydrophobicContact CD1-CG 4.01Å; I104-L166 HydrophobicContact CG1-CD1 4.28Å; I104-L166 HydrophobicContact CG1-CD2 4.08Å; I104-L166 HydrophobicContact CG1-CG 4.15Å; I104-L166 HydrophobicContact CG2-CD2 3.94Å; I104-L166 HydrophobicContact CG2-CG 3.74Å; L126-L166 HydrophobicContact CD1-CD2 4.08Å; W135-L166 HydrophobicContact CH2-CD1 3.47Å; W135-L166 VanDerWaalsContact CH2-CD1 3.47Å; W135-L166 HydrophobicContact CZ2-CD1 3.87Å; I163-L166 WeakPolarHBondContact O-CB 3.43Å; I163-L166 WeakPolarHBondContact O-CG 3.44Å; I163-L166 PolarHBondContact O-N 3.28Å; Q164-L166 PolarHBondContact O-N 2.92Å; Q164-L166 VanDerWaalsContact O-N 3.13Å; L166-F175 HydrophobicContact CD2-CE2 4.45Å; L166-F175 HydrophobicContact CD2-CZ 4.47Å; L166-F243 HydrophobicContact CD1-CZ 3.94Å; L166-F243 HydrophobicContact CD2-CE1 4.23Å; L166-F243 HydrophobicContact CD2-CZ 3.92Å; L166-F243 HydrophobicContact CG-CZ 4.49Å; L166-Y244 PolarHBondContact O-OH 3.49Å; L166-L247 HydrophobicContact CB-CD1 4.35Å; L166-L247 HydrophobicContact CD1-CD1 4.07Å; L166-L247 HydrophobicContact CD1-CD2 4.21Å |
| 167 | W | 91 | Very high | 87.7 | Confident | 10 Ų | 10 | 34.8 Ų | 34.8 | 4% | 0.038 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -110.3 | 11.7 | 176.3 | 55.3 | 93.5 | 0 | 0 | 0 | 112.6 | I163 Q164 L165 L254 D257 L258 G261 | I163-W167 HydrophobicContact CG2-CH2 4.12Å; I163-W167 HydrophobicContact CG2-CZ3 4.06Å; Q164-W167 HydrophobicContact CB-CH2 4.47Å; Q164-W167 HydrophobicContact CB-CZ2 3.94Å; Q164-W167 HydrophobicContact CG-CH2 3.98Å; Q164-W167 HydrophobicContact CG-CZ2 3.33Å; Q164-W167 PolarHBondContact O-N 2.86Å; L165-W167 VanDerWaalsContact C-N 3.28Å; L165-W167 PolarHBondContact O-N 3.18Å; W167-L254 HydrophobicContact CH2-CD1 4.1Å; W167-L254 HydrophobicContact CZ2-CB 4.33Å; W167-L254 HydrophobicContact CZ2-CD1 4.03Å; W167-D257 PolarHBondContact NE1-OD2 2.92Å; W167-L258 HydrophobicContact CB-CG 4.19Å; W167-L258 HydrophobicContact CD2-CB 4.23Å; W167-L258 HydrophobicContact CD2-CG 4.19Å; W167-L258 HydrophobicContact CE3-CD1 4.34Å; W167-L258 HydrophobicContact CE3-CG 4.17Å; W167-L258 HydrophobicContact CG-CB 4.28Å; W167-L258 HydrophobicContact CG-CG 4.25Å; W167-G261 CarbonylContact O-C 3.58Å; W167-G261 WeakPolarHBondContact O-CA 3.34Å |
| 168 | H | 91 | Very high | 87.4 | Confident | 60 Ų | 60 | 33.3 Ų | 33.3 | 28% | 0.278 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -68 | 143.1 | 169.9 | -179.5 | -81.8 | 0 | 0 | 0 | 110.8 | Y108 Q164 L165 T170 T171 V172 | Y108-H168 HydrophobicContact CE2-CB 4.46Å; Y108-H168 AromaticContact CE2-CE1 3.72Å; Y108-H168 AromaticContact CE2-CG 3.91Å; Y108-H168 AromaticContact CE2-ND1 3.42Å; Y108-H168 WeakPolarHBondContact CE2-ND1 3.37Å; Q164-H168 PolarHBondContact O-N 3.11Å; L165-H168 HydrophobicContact CD2-CB 4.49Å; L165-H168 WeakPolarHBondContact O-CB 3.28Å; L165-H168 PolarHBondContact O-N 3.39Å; H168-T170 PolarHBondContact CE1-OG1 3.46Å; H168-T170 PolarHBondContact ND1-N 2.73Å; H168-T170 VanDerWaalsContact ND1-N 3.14Å; H168-T170 PolarHBondContact ND1-OG1 3.36Å; H168-T170 PolarHBondContact O-N 3.04Å; H168-T171 PolarHBondContact O-N 2.94Å; H168-V172 PolarHBondContact O-N 3.1Å |
| 169 | R | 89.4 | Confident | 87 | Confident | 162 Ų | 162 | 31.3 Ų | 31.3 | 61% | 0.611 | 15% | 0.149 | S | C | * | . | H | α-helix | trans | -44.5 | -38.6 | -177.1 | 66.7 | 178.1 | -174.5 | 179.9 | 0.8 | 115.3 | G173 C264 | R169-G173 PolarHBondContact O-N 3.22Å; R169-C264 HydrophobicContact CB-CB 4.42Å |
| 170 | T | 87.8 | Confident | 86.8 | Confident | 28 Ų | 28 | 33.2 Ų | 33.2 | 17% | 0.172 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.2 | -45.8 | 178.7 | -53.5 | 0 | 0 | 0 | 0 | 112.2 | Y108 A111 L112 H168 G173 F174 | Y108-T170 HydrophobicContact CE2-CG2 4.34Å; A111-T170 HydrophobicContact CB-CG2 3.98Å; L112-T170 HydrophobicContact CD2-CG2 3.85Å; L112-T170 HydrophobicContact CG-CG2 4.15Å; H168-T170 PolarHBondContact CE1-OG1 3.46Å; H168-T170 PolarHBondContact ND1-N 2.73Å; H168-T170 VanDerWaalsContact ND1-N 3.14Å; H168-T170 PolarHBondContact ND1-OG1 3.36Å; H168-T170 PolarHBondContact O-N 3.04Å; T170-G173 PolarHBondContact O-N 2.77Å; T170-F174 WeakPolarHBondContact O-CB 3.3Å; T170-F174 PolarHBondContact O-N 3.48Å |
| 171 | T | 87.1 | Confident | 86.4 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -70.7 | -41.8 | -180 | -51.3 | 0 | 0 | 0 | 0 | 110.7 | V107 L165 H168 F174 F175 | V107-T171 HydrophobicContact CG1-CG2 4.49Å; L165-T171 WeakPolarHBondContact O-CB 3.5Å; L165-T171 PolarHBondContact O-OG1 3.45Å; H168-T171 PolarHBondContact O-N 2.94Å; T171-F174 WeakPolarHBondContact O-CB 3.31Å; T171-F174 PolarHBondContact O-N 2.78Å; T171-F175 HydrophobicContact CG2-CD1 4.43Å; T171-F175 HydrophobicContact CG2-CD2 4.33Å; T171-F175 HydrophobicContact CG2-CE1 3.94Å; T171-F175 HydrophobicContact CG2-CE2 3.83Å; T171-F175 HydrophobicContact CG2-CZ 3.59Å; T171-F175 WeakPolarHBondContact O-CG 3.44Å; T171-F175 PolarHBondContact O-N 2.99Å |
| 172 | V | 89.5 | Confident | 84.8 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.5 | -49.7 | 173.9 | 176.1 | 0 | 0 | 0 | 0 | 110 | H168 F174 F175 F176 L262 L268 | H168-V172 PolarHBondContact O-N 3.1Å; V172-F174 PolarHBondContact O-N 3.28Å; V172-F175 PolarHBondContact O-N 2.53Å; V172-F176 HydrophobicContact CG1-CD2 3.81Å; V172-F176 HydrophobicContact CG1-CE2 4.14Å; V172-F176 WeakPolarHBondContact O-CD2 3.07Å; V172-F176 PolarHBondContact O-N 3.38Å; V172-L262 HydrophobicContact CG1-CD2 4.34Å; V172-L262 HydrophobicContact CG2-CD2 4.31Å; V172-L268 HydrophobicContact CG1-CD2 3.79Å |
| 173 | G | 87.4 | Confident | 82.9 | Confident | 20 Ų | 20 | 44.3 Ų | 44.3 | 21% | 0.206 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.8 | -35.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | R169 T170 R177 | R169-G173 PolarHBondContact O-N 3.22Å; T170-G173 PolarHBondContact O-N 2.77Å; G173-R177 WeakPolarHBondContact O-CA 3.48Å; G173-R177 PolarHBondContact O-N 3.2Å; G173-R177 VanDerWaalsContact O-N 3.15Å |
| 174 | F | 83.7 | Confident | 80.4 | Confident | 14 Ų | 14 | 48.9 Ų | 48.9 | 6% | 0.061 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.9 | -43.7 | 175.3 | -179.9 | -108.2 | 0 | 0 | 0 | 112.8 | A111 H119 V122 T170 T171 V172 R177 | A111-F174 HydrophobicContact CB-CB 3.64Å; A111-F174 HydrophobicContact CB-CD1 4.04Å; A111-F174 HydrophobicContact CB-CD2 4.06Å; A111-F174 HydrophobicContact CB-CG 3.66Å; H119-F174 HydrophobicContact CB-CE1 4.22Å; H119-F174 HydrophobicContact CB-CE2 3.89Å; H119-F174 HydrophobicContact CB-CZ 3.63Å; V122-F174 HydrophobicContact CG1-CE1 4.42Å; T170-F174 WeakPolarHBondContact O-CB 3.3Å; T170-F174 PolarHBondContact O-N 3.48Å; T171-F174 WeakPolarHBondContact O-CB 3.31Å; T171-F174 PolarHBondContact O-N 2.78Å; V172-F174 PolarHBondContact O-N 3.28Å; F174-R177 WeakPolarHBondContact O-CB 3.46Å |
| 175 | F | 85.1 | Confident | 77.4 | Confident | 5 Ų | 5 | 51.1 Ų | 51.1 | 2% | 0.022 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.9 | -31.5 | 179.3 | -70.1 | -4.7 | 0 | 0 | 0 | 113.4 | V107 V123 L126 L166 T171 V172 V240 F243 Y244 | V107-F175 HydrophobicContact CG1-CE1 4.03Å; V107-F175 HydrophobicContact CG1-CZ 4.18Å; V123-F175 HydrophobicContact CG2-CB 4.41Å; V123-F175 HydrophobicContact CG2-CD1 3.43Å; V123-F175 VanDerWaalsContact CG2-CD1 3.43Å; V123-F175 HydrophobicContact CG2-CE1 3.86Å; V123-F175 HydrophobicContact CG2-CG 3.98Å; L126-F175 HydrophobicContact CD1-CE1 4.19Å; L126-F175 HydrophobicContact CD1-CE2 4.28Å; L126-F175 HydrophobicContact CD1-CZ 3.44Å; L126-F175 VanDerWaalsContact CD1-CZ 3.44Å; L166-F175 HydrophobicContact CD2-CE2 4.45Å; L166-F175 HydrophobicContact CD2-CZ 4.47Å; T171-F175 HydrophobicContact CG2-CD1 4.43Å; T171-F175 HydrophobicContact CG2-CD2 4.33Å; T171-F175 HydrophobicContact CG2-CE1 3.94Å; T171-F175 HydrophobicContact CG2-CE2 3.83Å; T171-F175 HydrophobicContact CG2-CZ 3.59Å; T171-F175 WeakPolarHBondContact O-CG 3.44Å; T171-F175 PolarHBondContact O-N 2.99Å; V172-F175 PolarHBondContact O-N 2.53Å; F175-V240 HydrophobicContact CB-CG1 3.93Å; F175-V240 HydrophobicContact CB-CG2 4.38Å; F175-V240 HydrophobicContact CD2-CG1 4.39Å; F175-F243 HydrophobicContact CE2-CE1 4.05Å; F175-Y244 AromaticContact CD2-CE2 3.98Å; F175-Y244 HydrophobicContact CD2-CE2 3.98Å; F175-Y244 AromaticContact CD2-CZ 3.98Å; F175-Y244 WeakPolarHBondContact CD2-OH 3.38Å |
| 176 | F | 86.8 | Confident | 74.3 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.009 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 16.8 | 179.1 | -66.5 | -76.9 | 0 | 0 | 0 | 113.4 | V172 S178 V179 L180 L237 V240 L241 Y244 L262 L268 L272 | V172-F176 HydrophobicContact CG1-CD2 3.81Å; V172-F176 HydrophobicContact CG1-CE2 4.14Å; V172-F176 WeakPolarHBondContact O-CD2 3.07Å; V172-F176 PolarHBondContact O-N 3.38Å; F176-S178 VanDerWaalsContact C-N 3.28Å; F176-S178 PolarHBondContact O-N 2.91Å; F176-V179 PolarHBondContact O-N 2.87Å; F176-L180 HydrophobicContact CB-CD1 4.15Å; F176-L180 HydrophobicContact CB-CG 4.33Å; F176-L180 WeakPolarHBondContact O-CG 3.33Å; F176-L180 PolarHBondContact O-N 3.48Å; F176-L237 HydrophobicContact CD1-CD1 3.99Å; F176-L237 HydrophobicContact CE1-CD1 4.01Å; F176-V240 HydrophobicContact CD1-CG1 4.38Å; F176-V240 HydrophobicContact CD2-CG1 4.49Å; F176-V240 HydrophobicContact CE1-CB 4.41Å; F176-V240 HydrophobicContact CE1-CG1 3.74Å; F176-V240 HydrophobicContact CE2-CG1 3.87Å; F176-V240 HydrophobicContact CZ-CG1 3.46Å; F176-V240 VanDerWaalsContact CZ-CG1 3.46Å; F176-L241 HydrophobicContact CE1-CD1 4.44Å; F176-L241 HydrophobicContact CE1-CD2 3.94Å; F176-L241 HydrophobicContact CE1-CG 3.97Å; F176-L241 HydrophobicContact CZ-CD2 3.7Å; F176-L241 HydrophobicContact CZ-CG 4.11Å; F176-Y244 HydrophobicContact CE2-CD2 4.17Å; F176-Y244 AromaticContact CE2-CE2 3.65Å; F176-Y244 HydrophobicContact CE2-CE2 3.65Å; F176-Y244 HydrophobicContact CZ-CD2 4.1Å; F176-Y244 HydrophobicContact CZ-CE2 4.02Å; F176-L262 HydrophobicContact CE2-CD2 4.13Å; F176-L268 HydrophobicContact CB-CD1 3.54Å; F176-L268 HydrophobicContact CD1-CD1 3.84Å; F176-L268 HydrophobicContact CD2-CD1 4.07Å; F176-L268 HydrophobicContact CD2-CD2 3.73Å; F176-L268 HydrophobicContact CE2-CD2 4.04Å; F176-L268 HydrophobicContact CG-CD1 3.56Å; F176-L268 HydrophobicContact CG-CD2 4.11Å; F176-L268 HydrophobicContact CG-CG 4.49Å; F176-L272 HydrophobicContact CD1-CD2 4.2Å; F176-L272 HydrophobicContact CE1-CD1 4.37Å; F176-L272 HydrophobicContact CE1-CD2 4.17Å |
| 177 | R | 82.8 | Confident | 71.3 | Confident | 67 Ų | 67 | 62.4 Ų | 62.4 | 25% | 0.253 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -52.5 | -44.3 | -177.9 | -177 | 179.5 | -179.3 | 157.4 | 10.7 | 112.7 | F114 G173 F174 V179 L180 E181 | F114-R177 PolarHBondContact O-NH1 3.11Å; G173-R177 WeakPolarHBondContact O-CA 3.48Å; G173-R177 PolarHBondContact O-N 3.2Å; G173-R177 VanDerWaalsContact O-N 3.15Å; F174-R177 WeakPolarHBondContact O-CB 3.46Å; R177-V179 PolarHBondContact O-N 2.83Å; R177-L180 PolarHBondContact O-N 2.95Å; R177-L180 VanDerWaalsContact O-N 3.16Å; R177-E181 HydrophobicContact CG-CG 3.98Å; R177-E181 IonicContact CZ-OE1 3.79Å; R177-E181 VanDerWaalsContact NE-CD 3.26Å; R177-E181 IonicContact NE-OE1 3.79Å; R177-E181 PolarHBondContact NE-OE1 2.8Å; R177-E181 IonicContact NE-OE2 3.41Å; R177-E181 PolarHBondContact NE-OE2 2.86Å; R177-E181 IonicContact NH2-OE1 3.25Å; R177-E181 PolarHBondContact NH2-OE1 3.27Å; R177-E181 PolarHBondContact O-N 2.9Å |
| 178 | S | 77.8 | Confident | 68.3 | Low | 38 Ų | 38 | 70.3 Ų | 70.3 | 27% | 0.266 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.1 | -22.5 | -179.5 | 55.5 | 0 | 0 | 0 | 0 | 114.2 | F176 | F176-S178 VanDerWaalsContact C-N 3.28Å; F176-S178 PolarHBondContact O-N 2.91Å |
| 179 | V | 80.9 | Confident | 65.2 | Low | 15 Ų | 15 | 76.4 Ų | 76.4 | 9% | 0.091 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -94.8 | -37.5 | 174.9 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | F176 R177 L237 K271 L272 | F176-V179 PolarHBondContact O-N 2.87Å; R177-V179 PolarHBondContact O-N 2.83Å; V179-L237 HydrophobicContact CG2-CD1 3.65Å; V179-K271 HydrophobicContact CG1-CB 3.64Å; V179-K271 HydrophobicContact CG1-CD 4.34Å; V179-K271 WeakPolarHBondContact O-CD 3.34Å; V179-K271 PolarHBondContact O-NZ 3.3Å; V179-L272 HydrophobicContact CG1-CD2 4.4Å |
| 180 | L | 82.4 | Confident | 62.1 | Low | 41 Ų | 41 | 77.2 Ų | 77.2 | 22% | 0.215 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -74.9 | -33.8 | -175.6 | -70.5 | 173.2 | 0 | 0 | 0 | 113.3 | F176 R177 K267 L268 K271 | F176-L180 HydrophobicContact CB-CD1 4.15Å; F176-L180 HydrophobicContact CB-CG 4.33Å; F176-L180 WeakPolarHBondContact O-CG 3.33Å; F176-L180 PolarHBondContact O-N 3.48Å; R177-L180 PolarHBondContact O-N 2.95Å; R177-L180 VanDerWaalsContact O-N 3.16Å; L180-K267 HydrophobicContact CD2-CB 4.46Å; L180-L268 HydrophobicContact CD2-CB 4.19Å; L180-L268 HydrophobicContact CD2-CD1 4.22Å; L180-L268 HydrophobicContact CG-CD1 4.39Å; L180-K271 PolarHBondContact O-NZ 3.39Å |
| 181 | E | 76.8 | Confident | 59.2 | Low | 107 Ų | 107 | 82.2 Ų | 82.2 | 50% | 0.5 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -72.1 | 132 | 176.4 | -70.2 | -177.9 | 157.7 | 0 | 0 | 111.2 | R177 | R177-E181 HydrophobicContact CG-CG 3.98Å; R177-E181 IonicContact CZ-OE1 3.79Å; R177-E181 VanDerWaalsContact NE-CD 3.26Å; R177-E181 IonicContact NE-OE1 3.79Å; R177-E181 PolarHBondContact NE-OE1 2.8Å; R177-E181 IonicContact NE-OE2 3.41Å; R177-E181 PolarHBondContact NE-OE2 2.86Å; R177-E181 IonicContact NH2-OE1 3.25Å; R177-E181 PolarHBondContact NH2-OE1 3.27Å; R177-E181 PolarHBondContact O-N 2.9Å |
| 182 | E | 55.2 | Low | 56.5 | Low | 150 Ų | 150 | 88.2 Ų | 88.2 | 70% | 0.701 | 50% | 0.497 | S | S | * | . | trans | -73.4 | 142.1 | 168.9 | -71.9 | 175.5 | -171.1 | 0 | 0 | 108.8 | S184 | E182-S184 PolarHBondContact O-N 3.46Š| ||
| 183 | P | 50.1 | Low | 53.5 | Low | 126 Ų | 126 | 91.5 Ų | 91.5 | 82% | 0.818 | 53% | 0.531 | S | S | * | . | trans | -60.2 | 106 | 174.9 | 24 | -30.8 | 0 | 0 | 0 | 108.2 | S185 | P183-S185 PolarHBondContact O-N 3.41Å; P183-S185 VanDerWaalsContact O-N 3.14Å | ||
| 184 | S | 33.4 | Very low | 50.5 | Low | 97 Ų | 97 | 103 Ų | 103 | 68% | 0.678 | 57% | 0.568 | S | S | * | * | trans | -49.7 | 123.5 | 169.1 | 50.3 | 0 | 0 | 0 | 0 | 107.9 | E182 C186 | E182-S184 PolarHBondContact O-N 3.46Å; S184-C186 VanDerWaalsContact C-N 3.26Å; S184-C186 PolarHBondContact O-N 2.89Å | ||
| 185 | S | 26.9 | Very low | 47.7 | Very low | 114 Ų | 114 | 105.6 Ų | 105.6 | 80% | 0.797 | 60% | 0.6 | S | S | * | * | trans | -58.8 | 81 | -179.5 | 54.5 | 0 | 0 | 0 | 0 | 111.5 | P183 V187 | P183-S185 PolarHBondContact O-N 3.41Å; P183-S185 VanDerWaalsContact O-N 3.14Å; S185-V187 PolarHBondContact O-N 3.22Å | ||
| 186 | C | 26.2 | Very low | 44.7 | Very low | 118 Ų | 118 | 111.5 Ų | 111.5 | 80% | 0.797 | 64% | 0.641 | S | S | * | * | trans | -80.4 | 71.5 | 168.7 | -76.4 | 0 | 0 | 0 | 0 | 109.2 | S184 E188 | S184-C186 VanDerWaalsContact C-N 3.26Å; S184-C186 PolarHBondContact O-N 2.89Å; C186-E188 VanDerWaalsContact C-N 3.35Å | ||
| 187 | V | 27.1 | Very low | 41.8 | Very low | 135 Ų | 135 | 118.6 Ų | 118.6 | 82% | 0.818 | 68% | 0.678 | S | S | * | * | trans | -92.2 | 75.1 | 155.6 | -177.7 | 0 | 0 | 0 | 0 | 106.5 | S185 | S185-V187 PolarHBondContact O-N 3.22Š| ||
| 188 | E | 27.3 | Very low | 38.9 | Very low | 176 Ų | 176 | 124.6 Ų | 124.6 | 82% | 0.822 | 71% | 0.709 | S | S | * | * | trans | -135.5 | 98.3 | 165.8 | -78.4 | -161.4 | 144.4 | 0 | 0 | 111.5 | C186 | C186-E188 VanDerWaalsContact C-N 3.35Š| ||
| 189 | K | 24.8 | Very low | 36.3 | Very low | 188 Ų | 188 | 132.4 Ų | 132.4 | 82% | 0.817 | 74% | 0.739 | S | S | * | * | trans | 43.5 | 97.2 | 139.4 | -63.8 | 176.6 | -177.9 | 171.4 | 0 | 117 | V191 | K189-V191 PolarHBondContact O-N 3.47Å; K189-V191 VanDerWaalsContact O-N 3.07Å | ||
| 190 | L | 25 | Very low | 33.4 | Very low | 180 Ų | 180 | 139.4 Ų | 139.4 | 94% | 0.942 | 77% | 0.771 | S | S | * | * | trans | -49.5 | 107.7 | 153.2 | -72.7 | 157.3 | 0 | 0 | 0 | 110.2 | ||||
| 191 | V | 27.6 | Very low | 30.6 | Very low | 132 Ų | 132 | 146.8 Ų | 146.8 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | trans | -101.4 | 119.7 | 158 | 180 | 0 | 0 | 0 | 0 | 107.1 | K189 G193 | K189-V191 PolarHBondContact O-N 3.47Å; K189-V191 VanDerWaalsContact O-N 3.07Å; V191-G193 PolarHBondContact O-N 3.3Å | ||
| 192 | P | 30.3 | Very low | 28 | Very low | 127 Ų | 127 | 150.2 Ų | 150.2 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -83.2 | 116.7 | -174.9 | 31.3 | -30 | 0 | 0 | 0 | 110.1 | ||||
| 193 | G | 25.7 | Very low | 26.6 | Very low | 69 Ų | 69 | 153 Ų | 153 | 71% | 0.711 | 83% | 0.827 | S | S | * | * | trans | -149.9 | 92.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V191 | V191-G193 PolarHBondContact O-N 3.3Š| ||
| 194 | R | 23.7 | Very low | 25.5 | Very low | 261 Ų | 261 | 150.3 Ų | 150.3 | 99% | 0.985 | 82% | 0.822 | S | S | * | * | trans | 37.6 | 122.6 | 151.1 | -71 | -176 | 177.9 | -150.6 | -0.5 | 119.4 | ||||
| 195 | G | 25.9 | Very low | 25.3 | Very low | 70 Ų | 70 | 149.3 Ų | 149.3 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | trans | 163.7 | 82.3 | 151.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L197 | G195-L197 PolarHBondContact O-N 2.89Š| ||
| 196 | S | 22.6 | Very low | 25.6 | Very low | 128 Ų | 128 | 153.7 Ų | 153.7 | 90% | 0.895 | 82% | 0.82 | S | S | * | * | trans | -57.7 | 103.4 | 168.8 | -50 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 197 | L | 26.1 | Very low | 25.7 | Very low | 151 Ų | 151 | 158.2 Ų | 158.2 | 79% | 0.791 | 82% | 0.82 | S | S | * | * | trans | -114.6 | 108.5 | 162.3 | -75 | 171.4 | 0 | 0 | 0 | 107.6 | G195 F199 | G195-L197 PolarHBondContact O-N 2.89Å; L197-F199 PolarHBondContact O-N 2.85Å | ||
| 198 | Q | 21.3 | Very low | 25.9 | Very low | 194 Ų | 194 | 155.9 Ų | 155.9 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | trans | -54.8 | 104.2 | 171 | -70.4 | 172.3 | -16.3 | 0 | 0 | 108.5 | Q200 | Q198-Q200 PolarHBondContact O-N 3.4Š| ||
| 199 | F | 22.9 | Very low | 26.1 | Very low | 202 Ų | 202 | 149.9 Ų | 149.9 | 89% | 0.886 | 79% | 0.788 | S | S | * | * | trans | -68.2 | 98.8 | 167.7 | -94.9 | -90.4 | 0 | 0 | 0 | 108 | L197 E201 | L197-F199 PolarHBondContact O-N 2.85Å; F199-E201 PolarHBondContact O-N 3.48Å | ||
| 200 | Q | 20.8 | Very low | 26.8 | Very low | 162 Ų | 162 | 144.1 Ų | 144.1 | 76% | 0.757 | 76% | 0.763 | S | S | * | * | trans | -56.4 | 119.7 | 157.7 | -80.9 | -176.1 | -11.1 | 0 | 0 | 107.8 | Q198 K202 | Q198-Q200 PolarHBondContact O-N 3.4Å; Q200-K202 PolarHBondContact O-N 3.45Å | ||
| 201 | E | 22 | Very low | 27.3 | Very low | 196 Ų | 196 | 136.7 Ų | 136.7 | 92% | 0.916 | 72% | 0.724 | S | S | * | * | trans | -59.8 | 79.2 | 169.1 | -72.9 | -175.6 | 143.2 | 0 | 0 | 110.3 | F199 K203 | F199-E201 PolarHBondContact O-N 3.48Å; E201-K203 PolarHBondContact O-N 2.62Å; E201-K203 VanDerWaalsContact O-N 3.09Å | ||
| 202 | K | 23.8 | Very low | 27.6 | Very low | 179 Ų | 179 | 137 Ų | 137 | 78% | 0.778 | 71% | 0.711 | S | S | * | * | trans | -71.8 | 102 | 160 | -79.7 | -173.9 | 177.6 | 176.8 | 0 | 106.5 | Q200 G204 | Q200-K202 PolarHBondContact O-N 3.45Å; K202-G204 PolarHBondContact O-N 2.79Å | ||
| 203 | K | 24.3 | Very low | 28.1 | Very low | 208 Ų | 208 | 138.8 Ų | 138.8 | 90% | 0.904 | 71% | 0.706 | S | S | * | * | trans | -21.4 | 95.6 | 167.2 | -70.9 | 179.4 | 176.8 | 177 | 0 | 110.8 | E201 S205 | E201-K203 PolarHBondContact O-N 2.62Å; E201-K203 VanDerWaalsContact O-N 3.09Å; K203-S205 PolarHBondContact O-N 2.88Å | ||
| 204 | G | 26.8 | Very low | 28.6 | Very low | 69 Ų | 69 | 136.7 Ų | 136.7 | 71% | 0.711 | 68% | 0.676 | S | S | * | * | trans | -57.3 | 129.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 110 | K202 K206 | K202-G204 PolarHBondContact O-N 2.79Å; G204-K206 PolarHBondContact O-N 3.29Å | ||
| 205 | S | 30.8 | Very low | 29.1 | Very low | 77 Ų | 77 | 129.4 Ų | 129.4 | 54% | 0.538 | 65% | 0.652 | S | S | . | * | trans | -44.2 | 127.1 | 175 | -172.6 | 0 | 0 | 0 | 0 | 110.7 | K203 R207 L208 | K203-S205 PolarHBondContact O-N 2.88Å; S205-R207 PolarHBondContact O-N 3.41Å; S205-L208 PolarHBondContact O-N 3.42Å | ||
| 206 | K | 32 | Very low | 29.4 | Very low | 205 Ų | 205 | 128.9 Ų | 128.9 | 89% | 0.891 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -51.6 | -13.8 | 178.6 | -71.4 | -178 | 175 | -179.3 | 0 | 113.8 | G204 L208 G209 | G204-K206 PolarHBondContact O-N 3.29Å; K206-L208 PolarHBondContact O-N 3.27Å; K206-G209 PolarHBondContact O-N 3.44Å |
| 207 | R | 29.6 | Very low | 29.7 | Very low | 214 Ų | 214 | 126.8 Ų | 126.8 | 81% | 0.808 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -60.1 | -31.1 | 178.4 | -67.1 | -175 | 177.9 | -176.2 | -1.4 | 115 | S205 | S205-R207 PolarHBondContact O-N 3.41Š|
| 208 | L | 31.2 | Very low | 29.8 | Very low | 85 Ų | 85 | 126 Ų | 126 | 45% | 0.445 | 62% | 0.621 | S | S | . | * | G | 310 helix | trans | -88.9 | -19 | -178.7 | -99.7 | 98.7 | 0 | 0 | 0 | 114.8 | S205 K206 F210 R212 | S205-L208 PolarHBondContact O-N 3.42Å; K206-L208 PolarHBondContact O-N 3.27Å; L208-F210 VanDerWaalsContact C-N 3.31Å; L208-F210 PolarHBondContact O-N 3.28Å; L208-R212 PolarHBondContact O-N 2.92Å |
| 209 | G | 30.6 | Very low | 30.1 | Very low | 50 Ų | 50 | 122.6 Ų | 122.6 | 52% | 0.515 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.5 | -30.1 | -173 | 0 | 0 | 0 | 0 | 0 | 113.8 | K206 | K206-G209 PolarHBondContact O-N 3.44Š|
| 210 | F | 39.9 | Very low | 30.2 | Very low | 67 Ų | 67 | 121.3 Ų | 121.3 | 29% | 0.294 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.7 | -41 | -176.9 | -167 | -100.6 | 0 | 0 | 0 | 112.4 | L208 R212 K213 L291 I302 | L208-F210 VanDerWaalsContact C-N 3.31Å; L208-F210 PolarHBondContact O-N 3.28Å; F210-R212 PolarHBondContact O-N 2.96Å; F210-K213 WeakPolarHBondContact O-CB 3.39Å; F210-K213 PolarHBondContact O-N 3.43Å; F210-L291 HydrophobicContact CE1-CD2 3.88Å; F210-L291 HydrophobicContact CZ-CD2 3.63Å; F210-I302 HydrophobicContact CE1-CD1 4.19Å |
| 211 | L | 36.4 | Very low | 30.8 | Very low | 25 Ų | 25 | 121.3 Ų | 121.3 | 13% | 0.131 | 62% | 0.616 | C | S | . | * | G | 310 helix | trans | -67.4 | -23.7 | 176.4 | -66.1 | 165.1 | 0 | 0 | 0 | 112.8 | K213 W214 A231 T235 | L211-K213 PolarHBondContact O-N 3.1Å; L211-W214 HydrophobicContact CD2-CE3 3.6Å; L211-W214 HydrophobicContact CD2-CZ3 3.86Å; L211-W214 WeakPolarHBondContact O-CB 3.44Å; L211-W214 PolarHBondContact O-N 3.13Å; L211-A231 HydrophobicContact CB-CB 4.18Å; L211-T235 WeakPolarHBondContact CD1-OG1 3.19Å |
| 212 | R | 33.9 | Very low | 31.1 | Very low | 138 Ų | 138 | 119.3 Ų | 119.3 | 52% | 0.521 | 61% | 0.611 | S | S | . | * | G | 310 helix | trans | -63.6 | -24.4 | 171.5 | -76.9 | -176.1 | 176.6 | -176 | 0.1 | 113.1 | L208 F210 W214 E228 | L208-R212 PolarHBondContact O-N 2.92Å; F210-R212 PolarHBondContact O-N 2.96Å; R212-W214 PolarHBondContact O-N 3.48Å; R212-E228 IonicContact NH2-OE1 3.96Å |
| 213 | K | 39.5 | Very low | 31.6 | Very low | 165 Ų | 165 | 112.6 Ų | 112.6 | 72% | 0.717 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -74.9 | -10.7 | 172.6 | -72.3 | -174.5 | 176 | -178.4 | 0 | 113.3 | F210 L211 K215 | F210-K213 WeakPolarHBondContact O-CB 3.39Å; F210-K213 PolarHBondContact O-N 3.43Å; L211-K213 PolarHBondContact O-N 3.1Å; K213-K215 PolarHBondContact O-N 2.79Å |
| 214 | W | 36 | Very low | 32.1 | Very low | 24 Ų | 24 | 110.3 Ų | 110.3 | 9% | 0.091 | 58% | 0.582 | C | S | . | * | G | 310 helix | trans | -78 | 1.1 | 178.9 | -149.9 | -1.4 | 0 | 0 | 0 | 113.3 | L211 R212 L216 L234 F276 Y287 | L211-W214 HydrophobicContact CD2-CE3 3.6Å; L211-W214 HydrophobicContact CD2-CZ3 3.86Å; L211-W214 WeakPolarHBondContact O-CB 3.44Å; L211-W214 PolarHBondContact O-N 3.13Å; R212-W214 PolarHBondContact O-N 3.48Å; W214-L216 PolarHBondContact O-N 3.05Å; W214-L234 HydrophobicContact CD2-CD1 4.08Å; W214-L234 HydrophobicContact CE3-CB 4.03Å; W214-L234 HydrophobicContact CE3-CD1 3.53Å; W214-L234 HydrophobicContact CE3-CD2 4.31Å; W214-L234 HydrophobicContact CE3-CG 4.15Å; W214-L234 HydrophobicContact CH2-CB 4.24Å; W214-L234 HydrophobicContact CH2-CD1 4.37Å; W214-L234 HydrophobicContact CH2-CD2 3.62Å; W214-L234 HydrophobicContact CH2-CG 4.27Å; W214-L234 HydrophobicContact CZ2-CD2 4.21Å; W214-L234 HydrophobicContact CZ3-CB 3.51Å; W214-L234 HydrophobicContact CZ3-CD1 3.75Å; W214-L234 HydrophobicContact CZ3-CD2 3.71Å; W214-L234 HydrophobicContact CZ3-CG 3.83Å; W214-F276 HydrophobicContact CH2-CD1 4.49Å; W214-F276 HydrophobicContact CZ2-CD1 4.29Å; W214-Y287 AromaticContact NE1-CE1 3.88Å |
| 215 | K | 35.1 | Very low | 32 | Very low | 109 Ų | 109 | 113.9 Ų | 113.9 | 47% | 0.474 | 58% | 0.582 | S | S | . | * | trans | -69.3 | 90.6 | 170.5 | -83.8 | -169 | 175.9 | -177.9 | 0 | 111.1 | K213 S217 A223 | K213-K215 PolarHBondContact O-N 2.79Å; K215-S217 PolarHBondContact O-N 3.19Å; K215-A223 PolarHBondContact NZ-O 2.94Å | ||
| 216 | L | 32.7 | Very low | 32.2 | Very low | 58 Ų | 58 | 112.3 Ų | 112.3 | 30% | 0.304 | 57% | 0.574 | S | S | . | * | trans | -69.5 | 113.2 | 153.6 | -72.7 | 141.7 | 0 | 0 | 0 | 107.5 | W214 S278 N283 | W214-L216 PolarHBondContact O-N 3.05Å; L216-S278 WeakPolarHBondContact CD1-OG 3.09Å; L216-S278 WeakPolarHBondContact CD2-OG 3.47Å; L216-N283 HydrophobicContact CD2-CB 4Å | ||
| 217 | S | 29.1 | Very low | 33.2 | Very low | 84 Ų | 84 | 103.3 Ų | 103.3 | 59% | 0.587 | 54% | 0.536 | S | S | * | . | trans | 69.1 | 121.8 | 169.7 | -46.1 | 0 | 0 | 0 | 0 | 119.2 | K215 T219 | K215-S217 PolarHBondContact O-N 3.19Å; S217-T219 PolarHBondContact O-N 2.94Å | ||
| 218 | P | 26.9 | Very low | 34 | Very low | 134 Ų | 134 | 97.7 Ų | 97.7 | 87% | 0.87 | 52% | 0.519 | S | S | * | . | trans | -85.1 | 108.7 | 173.4 | 32.4 | -27.9 | 0 | 0 | 0 | 110.7 | ||||
| 219 | T | 27.7 | Very low | 34.9 | Very low | 124 Ų | 124 | 102.8 Ų | 102.8 | 76% | 0.761 | 53% | 0.532 | S | S | * | . | trans | -122.4 | 117.6 | 161.3 | 52.1 | 0 | 0 | 0 | 0 | 110.1 | S217 | S217-T219 PolarHBondContact O-N 2.94Š| ||
| 220 | H | 26.3 | Very low | 36.3 | Very low | 174 Ų | 174 | 106.2 Ų | 106.2 | 81% | 0.806 | 54% | 0.535 | S | S | * | . | trans | 66.2 | 138.8 | 169.4 | -80.6 | -81.4 | 0 | 0 | 0 | 121.9 | N222 | H220-N222 VanDerWaalsContact C-N 3.27Å; H220-N222 PolarHBondContact O-N 3.08Å | ||
| 221 | N | 31.8 | Very low | 37.4 | Very low | 163 Ų | 163 | 103.3 Ų | 103.3 | 87% | 0.872 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -65.3 | 10.1 | -164.7 | -79.1 | -18.7 | 0 | 0 | 0 | 118.5 | A223 | N221-A223 PolarHBondContact O-N 2.9Š|
| 222 | N | 29.7 | Very low | 38.6 | Very low | 153 Ų | 153 | 106.1 Ų | 106.1 | 82% | 0.818 | 54% | 0.544 | S | S | * | . | trans | -91.7 | 21.4 | 173.1 | -78.3 | -13.4 | 0 | 0 | 0 | 113.1 | H220 Q224 | H220-N222 VanDerWaalsContact C-N 3.27Å; H220-N222 PolarHBondContact O-N 3.08Å; N222-Q224 PolarHBondContact O-N 2.82Å | ||
| 223 | A | 34.5 | Very low | 40.3 | Very low | 38 Ų | 38 | 101.9 Ų | 101.9 | 31% | 0.314 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -84.4 | -4.4 | -157.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | K215 N221 S227 | K215-A223 PolarHBondContact NZ-O 2.94Å; N221-A223 PolarHBondContact O-N 2.9Å; A223-S227 WeakPolarHBondContact O-CB 3.4Å; A223-S227 PolarHBondContact O-N 3.29Å; A223-S227 VanDerWaalsContact O-N 3.15Å |
| 224 | Q | 33.6 | Very low | 41.9 | Very low | 160 Ų | 160 | 95.5 Ų | 95.5 | 75% | 0.748 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -84.5 | -52.8 | -175.6 | -125.1 | 173.4 | -7.8 | 0 | 0 | 112.2 | N222 S227 E228 | N222-Q224 PolarHBondContact O-N 2.82Å; Q224-S227 WeakPolarHBondContact O-CB 3.41Å; Q224-S227 PolarHBondContact O-N 2.93Å; Q224-E228 PolarHBondContact O-N 2.94Å |
| 225 | M | 25.5 | Very low | 43.9 | Very low | 145 Ų | 145 | 97.5 Ų | 97.5 | 71% | 0.714 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.9 | -38.1 | 173.4 | -84.2 | -92.7 | 169.1 | 0 | 0 | 112.2 | S227 E228 R229 | M225-S227 VanDerWaalsContact C-N 3.33Å; M225-E228 PolarHBondContact O-N 3.26Å; M225-R229 PolarHBondContact O-N 3.46Å |
| 226 | A | 35.3 | Very low | 45.9 | Very low | 44 Ų | 44 | 93.4 Ų | 93.4 | 36% | 0.364 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.1 | -36.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q230 | A226-Q230 WeakPolarHBondContact O-CB 3.35Å; A226-Q230 WeakPolarHBondContact O-CG 3.19Å; A226-Q230 PolarHBondContact O-N 2.95Å |
| 227 | S | 51.3 | Low | 48.4 | Very low | 15 Ų | 15 | 90.8 Ų | 90.8 | 11% | 0.105 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -66.8 | -36.1 | 178.6 | 173.2 | 0 | 0 | 0 | 0 | 113.3 | A223 Q224 M225 A231 | A223-S227 WeakPolarHBondContact O-CB 3.4Å; A223-S227 PolarHBondContact O-N 3.29Å; A223-S227 VanDerWaalsContact O-N 3.15Å; Q224-S227 WeakPolarHBondContact O-CB 3.41Å; Q224-S227 PolarHBondContact O-N 2.93Å; M225-S227 VanDerWaalsContact C-N 3.33Å; S227-A231 VanDerWaalsContact O-CB 3.24Å; S227-A231 WeakPolarHBondContact O-CB 3.41Å; S227-A231 PolarHBondContact O-N 3.35Å |
| 228 | E | 46.5 | Very low | 51.1 | Low | 96 Ų | 96 | 87.5 Ų | 87.5 | 45% | 0.449 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -74.4 | -42.2 | 179.5 | -71.9 | -176.7 | 174.8 | 0 | 0 | 111.4 | R212 Q224 M225 A231 C232 | R212-E228 IonicContact NH2-OE1 3.96Å; Q224-E228 PolarHBondContact O-N 2.94Å; M225-E228 PolarHBondContact O-N 3.26Å; E228-A231 PolarHBondContact O-N 3.43Å; E228-C232 WeakPolarHBondContact O-CB 3.47Å; E228-C232 PolarHBondContact O-N 3.2Å |
| 229 | R | 51.4 | Low | 53.7 | Low | 193 Ų | 193 | 82.8 Ų | 82.8 | 73% | 0.728 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -61.3 | -48 | 174.2 | -73.1 | -174.2 | -179.8 | 178.8 | -0.2 | 111.7 | M225 A231 C232 V233 | M225-R229 PolarHBondContact O-N 3.46Å; R229-A231 PolarHBondContact O-N 3.2Å; R229-C232 PolarHBondContact O-N 2.7Å; R229-V233 WeakPolarHBondContact O-CG2 3.31Å; R229-V233 PolarHBondContact O-N 3.44Å |
| 230 | Q | 59 | Low | 56.5 | Low | 121 Ų | 121 | 76.9 Ų | 76.9 | 57% | 0.565 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -61.2 | -44.8 | 176.9 | -78.4 | 176 | -26.1 | 0 | 0 | 112.2 | A226 C232 V233 L234 | A226-Q230 WeakPolarHBondContact O-CB 3.35Å; A226-Q230 WeakPolarHBondContact O-CG 3.19Å; A226-Q230 PolarHBondContact O-N 2.95Å; Q230-C232 VanDerWaalsContact C-N 3.3Å; Q230-C232 PolarHBondContact O-N 2.93Å; Q230-V233 PolarHBondContact O-N 2.87Å; Q230-L234 WeakPolarHBondContact O-CB 3.48Å; Q230-L234 WeakPolarHBondContact O-CD1 3.45Å; Q230-L234 WeakPolarHBondContact O-CG 3.47Å; Q230-L234 PolarHBondContact O-N 3.26Å |
| 231 | A | 63.5 | Low | 59.5 | Low | 7 Ų | 7 | 68.8 Ų | 68.8 | 6% | 0.058 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.3 | -37.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | L211 S227 E228 R229 T235 | L211-A231 HydrophobicContact CB-CB 4.18Å; S227-A231 VanDerWaalsContact O-CB 3.24Å; S227-A231 WeakPolarHBondContact O-CB 3.41Å; S227-A231 PolarHBondContact O-N 3.35Å; E228-A231 PolarHBondContact O-N 3.43Å; R229-A231 PolarHBondContact O-N 3.2Å; A231-T235 PolarHBondContact O-N 3.04Å; A231-T235 PolarHBondContact O-OG1 3.02Å |
| 232 | C | 61.1 | Low | 62.1 | Low | 83 Ų | 83 | 61.7 Ų | 61.7 | 56% | 0.561 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -65.5 | -48.4 | 176.5 | -169 | 0 | 0 | 0 | 0 | 111.7 | E228 R229 Q230 L234 T235 E236 | E228-C232 WeakPolarHBondContact O-CB 3.47Å; E228-C232 PolarHBondContact O-N 3.2Å; R229-C232 PolarHBondContact O-N 2.7Å; Q230-C232 VanDerWaalsContact C-N 3.3Å; Q230-C232 PolarHBondContact O-N 2.93Å; C232-L234 VanDerWaalsContact C-N 3.3Å; C232-L234 PolarHBondContact O-N 3.3Å; C232-T235 PolarHBondContact O-N 3.44Å; C232-E236 PolarHBondContact O-N 3.45Å; C232-E236 VanDerWaalsContact O-N 3.1Å |
| 233 | V | 70.2 | Confident | 64.8 | Low | 50 Ų | 50 | 54.6 Ų | 54.6 | 30% | 0.303 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.7 | -42.6 | 177.1 | 171.8 | 0 | 0 | 0 | 0 | 111 | R229 Q230 T235 E236 L237 | R229-V233 WeakPolarHBondContact O-CG2 3.31Å; R229-V233 PolarHBondContact O-N 3.44Å; Q230-V233 PolarHBondContact O-N 2.87Å; V233-T235 PolarHBondContact O-N 2.88Å; V233-E236 PolarHBondContact O-N 3.26Å; V233-L237 WeakPolarHBondContact O-CB 3.46Å; V233-L237 PolarHBondContact O-N 3.36Å |
| 234 | L | 73.6 | Confident | 67.5 | Low | 31 Ų | 31 | 52.8 Ų | 52.8 | 16% | 0.162 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.5 | -35.7 | 179.4 | -73.2 | 168.6 | 0 | 0 | 0 | 113.1 | W214 Q230 C232 L237 V238 | W214-L234 HydrophobicContact CD2-CD1 4.08Å; W214-L234 HydrophobicContact CE3-CB 4.03Å; W214-L234 HydrophobicContact CE3-CD1 3.53Å; W214-L234 HydrophobicContact CE3-CD2 4.31Å; W214-L234 HydrophobicContact CE3-CG 4.15Å; W214-L234 HydrophobicContact CH2-CB 4.24Å; W214-L234 HydrophobicContact CH2-CD1 4.37Å; W214-L234 HydrophobicContact CH2-CD2 3.62Å; W214-L234 HydrophobicContact CH2-CG 4.27Å; W214-L234 HydrophobicContact CZ2-CD2 4.21Å; W214-L234 HydrophobicContact CZ3-CB 3.51Å; W214-L234 HydrophobicContact CZ3-CD1 3.75Å; W214-L234 HydrophobicContact CZ3-CD2 3.71Å; W214-L234 HydrophobicContact CZ3-CG 3.83Å; Q230-L234 WeakPolarHBondContact O-CB 3.48Å; Q230-L234 WeakPolarHBondContact O-CD1 3.45Å; Q230-L234 WeakPolarHBondContact O-CG 3.47Å; Q230-L234 PolarHBondContact O-N 3.26Å; C232-L234 VanDerWaalsContact C-N 3.3Å; C232-L234 PolarHBondContact O-N 3.3Å; L234-L237 HydrophobicContact CD2-CD2 4.34Å; L234-L237 PolarHBondContact O-N 3.23Å; L234-V238 WeakPolarHBondContact O-CG2 3.28Å; L234-V238 PolarHBondContact O-N 3.13Å |
| 235 | T | 77.2 | Confident | 70.1 | Confident | 66 Ų | 66 | 45.8 Ų | 45.8 | 41% | 0.405 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.9 | -42.8 | 174.7 | -51.4 | 0 | 0 | 0 | 0 | 111.3 | L211 A231 C232 V233 S239 | L211-T235 WeakPolarHBondContact CD1-OG1 3.19Å; A231-T235 PolarHBondContact O-N 3.04Å; A231-T235 PolarHBondContact O-OG1 3.02Å; C232-T235 PolarHBondContact O-N 3.44Å; V233-T235 PolarHBondContact O-N 2.88Å; T235-S239 PolarHBondContact O-N 3.04Å; T235-S239 VanDerWaalsContact O-N 3.13Å; T235-S239 PolarHBondContact O-OG 3.45Å |
| 236 | E | 77.6 | Confident | 73 | Confident | 22 Ų | 22 | 42.2 Ų | 42.2 | 10% | 0.103 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.2 | -47.1 | 176.5 | -176.2 | 178.5 | -157 | 0 | 0 | 110.9 | H119 C232 V233 V238 S239 V240 | H119-E236 IonicContact CD2-OE1 3.27Å; H119-E236 PolarHBondContact CD2-OE1 3.47Å; H119-E236 VanDerWaalsContact CD2-OE1 3.25Å; H119-E236 IonicContact NE2-OE1 3.93Å; C232-E236 PolarHBondContact O-N 3.45Å; C232-E236 VanDerWaalsContact O-N 3.1Å; V233-E236 PolarHBondContact O-N 3.26Å; E236-V238 PolarHBondContact O-N 2.92Å; E236-S239 WeakPolarHBondContact O-CA 3.43Å; E236-S239 VanDerWaalsContact O-CB 3.31Å; E236-S239 WeakPolarHBondContact O-CB 3.48Å; E236-S239 PolarHBondContact O-N 3.27Å; E236-V240 WeakPolarHBondContact O-CG2 3.26Å; E236-V240 PolarHBondContact O-N 2.89Å |
| 237 | L | 84.1 | Confident | 75.4 | Confident | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -53.4 | -50.5 | 177.2 | -174.2 | 76.5 | 0 | 0 | 0 | 112.3 | F176 V179 V233 L234 S239 V240 L241 L272 F276 | F176-L237 HydrophobicContact CD1-CD1 3.99Å; F176-L237 HydrophobicContact CE1-CD1 4.01Å; V179-L237 HydrophobicContact CG2-CD1 3.65Å; V233-L237 WeakPolarHBondContact O-CB 3.46Å; V233-L237 PolarHBondContact O-N 3.36Å; L234-L237 HydrophobicContact CD2-CD2 4.34Å; L234-L237 PolarHBondContact O-N 3.23Å; L237-S239 VanDerWaalsContact C-N 3.26Å; L237-S239 PolarHBondContact O-N 3.38Å; L237-V240 PolarHBondContact O-N 3.45Å; L237-L241 HydrophobicContact CD1-CD1 4.2Å; L237-L241 HydrophobicContact CG-CD1 3.95Å; L237-L241 PolarHBondContact O-N 3.28Å; L237-L272 HydrophobicContact CD1-CD2 3.32Å; L237-L272 HydrophobicContact CD2-CD2 4.28Å; L237-L272 HydrophobicContact CG-CD2 4.27Å; L237-F276 HydrophobicContact CD2-CE1 3.96Å; L237-F276 HydrophobicContact CD2-CE2 4.46Å; L237-F276 HydrophobicContact CD2-CZ 3.84Å; L237-F276 HydrophobicContact CG-CZ 4.47Å |
| 238 | V | 85.5 | Confident | 77.2 | Confident | 16 Ų | 16 | 39.6 Ų | 39.6 | 10% | 0.097 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.9 | -37.7 | 178 | 169.2 | 0 | 0 | 0 | 0 | 110.7 | L234 E236 T242 I302 S305 | L234-V238 WeakPolarHBondContact O-CG2 3.28Å; L234-V238 PolarHBondContact O-N 3.13Å; E236-V238 PolarHBondContact O-N 2.92Å; V238-T242 HydrophobicContact CG1-CG2 4.25Å; V238-T242 WeakPolarHBondContact O-CB 3.45Å; V238-T242 WeakPolarHBondContact O-CG2 3.48Å; V238-T242 PolarHBondContact O-N 3.47Å; V238-T242 PolarHBondContact O-OG1 3.48Å; V238-I302 HydrophobicContact CG1-CG1 4.4Å; V238-I302 HydrophobicContact CG2-CG1 4.28Å; V238-S305 WeakPolarHBondContact CA-OG 3.43Å; V238-S305 PolarHBondContact O-OG 3.03Å |
| 239 | S | 82.5 | Confident | 79 | Confident | 34 Ų | 34 | 38.2 Ų | 38.2 | 24% | 0.238 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.9 | -44.2 | 176.7 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | V127 T235 E236 L237 T242 F243 | V127-S239 WeakPolarHBondContact CG1-O 3.22Å; V127-S239 WeakPolarHBondContact CG2-O 3.18Å; T235-S239 PolarHBondContact O-N 3.04Å; T235-S239 VanDerWaalsContact O-N 3.13Å; T235-S239 PolarHBondContact O-OG 3.45Å; E236-S239 WeakPolarHBondContact O-CA 3.43Å; E236-S239 VanDerWaalsContact O-CB 3.31Å; E236-S239 WeakPolarHBondContact O-CB 3.48Å; E236-S239 PolarHBondContact O-N 3.27Å; L237-S239 VanDerWaalsContact C-N 3.26Å; L237-S239 PolarHBondContact O-N 3.38Å; S239-T242 WeakPolarHBondContact CA-OG1 3.39Å; S239-T242 PolarHBondContact O-OG1 3.3Å; S239-F243 PolarHBondContact O-N 3.18Å; S239-F243 VanDerWaalsContact O-N 3.15Å |
| 240 | V | 86.4 | Confident | 80.4 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.2 | -46.5 | 176.6 | 175 | 0 | 0 | 0 | 0 | 111.2 | V123 F175 F176 E236 L237 F243 Y244 | V123-V240 HydrophobicContact CG1-CG2 3.44Å; V123-V240 VanDerWaalsContact CG1-CG2 3.44Å; V123-V240 HydrophobicContact CG2-CG2 4.37Å; F175-V240 HydrophobicContact CB-CG1 3.93Å; F175-V240 HydrophobicContact CB-CG2 4.38Å; F175-V240 HydrophobicContact CD2-CG1 4.39Å; F176-V240 HydrophobicContact CD1-CG1 4.38Å; F176-V240 HydrophobicContact CD2-CG1 4.49Å; F176-V240 HydrophobicContact CE1-CB 4.41Å; F176-V240 HydrophobicContact CE1-CG1 3.74Å; F176-V240 HydrophobicContact CE2-CG1 3.87Å; F176-V240 HydrophobicContact CZ-CG1 3.46Å; F176-V240 VanDerWaalsContact CZ-CG1 3.46Å; E236-V240 WeakPolarHBondContact O-CG2 3.26Å; E236-V240 PolarHBondContact O-N 2.89Å; L237-V240 PolarHBondContact O-N 3.45Å; V240-F243 WeakPolarHBondContact O-CB 3.28Å; V240-F243 PolarHBondContact O-N 3.01Å; V240-Y244 HydrophobicContact CG1-CD2 3.83Å; V240-Y244 HydrophobicContact CG1-CE2 3.66Å; V240-Y244 VanDerWaalsContact O-CD2 3.32Å; V240-Y244 WeakPolarHBondContact O-CD2 3.35Å; V240-Y244 PolarHBondContact O-N 3.04Å |
| 241 | L | 90 | Very high | 81.5 | Confident | 3 Ų | 3 | 25.1 Ų | 25.1 | 2% | 0.016 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -73.6 | -36.3 | -176.1 | -72.5 | 165.2 | 0 | 0 | 0 | 112.8 | F176 L237 F243 Y244 Q245 L272 F276 V308 | F176-L241 HydrophobicContact CE1-CD1 4.44Å; F176-L241 HydrophobicContact CE1-CD2 3.94Å; F176-L241 HydrophobicContact CE1-CG 3.97Å; F176-L241 HydrophobicContact CZ-CD2 3.7Å; F176-L241 HydrophobicContact CZ-CG 4.11Å; L237-L241 HydrophobicContact CD1-CD1 4.2Å; L237-L241 HydrophobicContact CG-CD1 3.95Å; L237-L241 PolarHBondContact O-N 3.28Å; L241-F243 PolarHBondContact O-N 2.91Å; L241-Y244 PolarHBondContact O-N 2.77Å; L241-Q245 PolarHBondContact O-N 2.67Å; L241-L272 HydrophobicContact CD1-CD2 4.43Å; L241-L272 HydrophobicContact CD2-CD1 4.42Å; L241-F276 HydrophobicContact CD1-CE1 4.48Å; L241-F276 HydrophobicContact CD1-CE2 3.78Å; L241-F276 HydrophobicContact CD1-CZ 3.32Å; L241-V308 HydrophobicContact CD2-CB 4.17Å; L241-V308 HydrophobicContact CD2-CG1 3.75Å |
| 242 | T | 86 | Confident | 82.5 | Confident | 14 Ų | 14 | 29.2 Ų | 29.2 | 9% | 0.086 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.9 | -30.3 | 169.9 | 52 | 0 | 0 | 0 | 0 | 112.4 | V238 S239 K246 S301 K304 | V238-T242 HydrophobicContact CG1-CG2 4.25Å; V238-T242 WeakPolarHBondContact O-CB 3.45Å; V238-T242 WeakPolarHBondContact O-CG2 3.48Å; V238-T242 PolarHBondContact O-N 3.47Å; V238-T242 PolarHBondContact O-OG1 3.48Å; S239-T242 WeakPolarHBondContact CA-OG1 3.39Å; S239-T242 PolarHBondContact O-OG1 3.3Å; T242-K246 WeakPolarHBondContact O-CG 3.4Å; T242-K246 PolarHBondContact O-N 2.86Å; T242-K246 VanDerWaalsContact O-N 3.14Å; T242-S301 WeakPolarHBondContact CG2-O 3.46Å; T242-K304 HydrophobicContact CG2-CB 4.34Å |
| 243 | F | 85.9 | Confident | 83.5 | Confident | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.018 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.1 | -47.1 | 170.6 | 165.8 | -101.6 | 0 | 0 | 0 | 112.1 | L126 V127 W135 L166 F175 S239 V240 L241 Q245 K246 L247 | L126-F243 HydrophobicContact CB-CE2 4.22Å; L126-F243 HydrophobicContact CB-CZ 4.3Å; L126-F243 WeakPolarHBondContact O-CE2 3.38Å; V127-F243 HydrophobicContact CB-CB 4.3Å; V127-F243 HydrophobicContact CG1-CB 4.28Å; V127-F243 HydrophobicContact CG2-CB 3.63Å; V127-F243 HydrophobicContact CG2-CG 4.12Å; W135-F243 HydrophobicContact CZ2-CE2 4.22Å; W135-F243 HydrophobicContact CZ2-CZ 4.46Å; L166-F243 HydrophobicContact CD1-CZ 3.94Å; L166-F243 HydrophobicContact CD2-CE1 4.23Å; L166-F243 HydrophobicContact CD2-CZ 3.92Å; L166-F243 HydrophobicContact CG-CZ 4.49Å; F175-F243 HydrophobicContact CE2-CE1 4.05Å; S239-F243 PolarHBondContact O-N 3.18Å; S239-F243 VanDerWaalsContact O-N 3.15Å; V240-F243 WeakPolarHBondContact O-CB 3.28Å; V240-F243 PolarHBondContact O-N 3.01Å; L241-F243 PolarHBondContact O-N 2.91Å; F243-Q245 VanDerWaalsContact C-N 3.29Å; F243-Q245 PolarHBondContact O-N 3.11Å; F243-K246 WeakPolarHBondContact O-CB 3.39Å; F243-K246 PolarHBondContact O-N 3.4Å; F243-L247 HydrophobicContact CD1-CD1 4.14Å; F243-L247 HydrophobicContact CE1-CD1 3.52Å; F243-L247 HydrophobicContact CE1-CG 4.22Å; F243-L247 HydrophobicContact CE2-CD1 4.3Å; F243-L247 HydrophobicContact CE2-CD2 4.21Å; F243-L247 HydrophobicContact CE2-CG 4.21Å; F243-L247 HydrophobicContact CZ-CD1 3.62Å; F243-L247 HydrophobicContact CZ-CD2 4.17Å; F243-L247 HydrophobicContact CZ-CG 4.03Å; F243-L247 WeakPolarHBondContact O-CG 3.35Å; F243-L247 PolarHBondContact O-N 2.69Å |
| 244 | Y | 90.8 | Very high | 84.1 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.6 | -33.6 | 174.3 | -78 | -68.5 | 0 | 0 | 0 | 113 | L166 F175 F176 V240 L241 K246 L247 L248 L258 L262 | L166-Y244 PolarHBondContact O-OH 3.49Å; F175-Y244 AromaticContact CD2-CE2 3.98Å; F175-Y244 HydrophobicContact CD2-CE2 3.98Å; F175-Y244 AromaticContact CD2-CZ 3.98Å; F175-Y244 WeakPolarHBondContact CD2-OH 3.38Å; F176-Y244 HydrophobicContact CE2-CD2 4.17Å; F176-Y244 AromaticContact CE2-CE2 3.65Å; F176-Y244 HydrophobicContact CE2-CE2 3.65Å; F176-Y244 HydrophobicContact CZ-CD2 4.1Å; F176-Y244 HydrophobicContact CZ-CE2 4.02Å; V240-Y244 HydrophobicContact CG1-CD2 3.83Å; V240-Y244 HydrophobicContact CG1-CE2 3.66Å; V240-Y244 VanDerWaalsContact O-CD2 3.32Å; V240-Y244 WeakPolarHBondContact O-CD2 3.35Å; V240-Y244 PolarHBondContact O-N 3.04Å; L241-Y244 PolarHBondContact O-N 2.77Å; Y244-K246 VanDerWaalsContact C-N 3.34Å; Y244-K246 PolarHBondContact O-N 2.96Å; Y244-L247 HydrophobicContact CD1-CD1 3.9Å; Y244-L247 HydrophobicContact CE1-CD1 4.17Å; Y244-L247 PolarHBondContact O-N 3.17Å; Y244-L248 WeakPolarHBondContact O-CG 3.25Å; Y244-L248 PolarHBondContact O-N 3.45Å; Y244-L258 HydrophobicContact CD1-CD2 4.04Å; Y244-L262 HydrophobicContact CD1-CD1 4.19Å; Y244-L262 HydrophobicContact CD1-CD2 3.83Å; Y244-L262 HydrophobicContact CD1-CG 4.31Å; Y244-L262 HydrophobicContact CD2-CD2 3.96Å; Y244-L262 HydrophobicContact CE1-CD2 3.73Å; Y244-L262 HydrophobicContact CE1-CG 4.46Å; Y244-L262 HydrophobicContact CE2-CD2 3.85Å; Y244-L262 HydrophobicContact CG-CD1 4.23Å; Y244-L262 HydrophobicContact CG-CD2 3.95Å |
| 245 | Q | 89.9 | Confident | 84.8 | Confident | 13 Ų | 13 | 31.5 Ų | 31.5 | 6% | 0.061 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59 | -47.5 | 172.7 | -169.5 | -85.9 | -27.7 | 0 | 0 | 110.6 | L241 F243 L247 L248 T249 K304 V308 E366 | L241-Q245 PolarHBondContact O-N 2.67Å; F243-Q245 VanDerWaalsContact C-N 3.29Å; F243-Q245 PolarHBondContact O-N 3.11Å; Q245-L247 VanDerWaalsContact C-N 3.33Å; Q245-L247 PolarHBondContact O-N 3.03Å; Q245-L248 WeakPolarHBondContact O-CB 3.45Å; Q245-L248 PolarHBondContact O-N 3.03Å; Q245-T249 PolarHBondContact NE2-OG1 3.21Å; Q245-T249 PolarHBondContact O-N 3.4Å; Q245-T249 VanDerWaalsContact O-N 3.08Å; Q245-T249 PolarHBondContact O-OG1 3.15Å; Q245-K304 HydrophobicContact CB-CB 4.36Å; Q245-K304 HydrophobicContact CG-CB 3.98Å; Q245-K304 HydrophobicContact CG-CD 4.43Å; Q245-K304 HydrophobicContact CG-CG 4.08Å; Q245-V308 HydrophobicContact CB-CG2 3.45Å; Q245-V308 VanDerWaalsContact CB-CG2 3.45Å; Q245-V308 HydrophobicContact CG-CG2 4.05Å; Q245-E366 PolarHBondContact NE2-OE2 3.47Å |
| 246 | K | 84.7 | Confident | 85.3 | Confident | 70 Ų | 70 | 34.5 Ų | 34.5 | 30% | 0.304 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60.2 | -43.9 | 175.8 | -70.9 | 170.6 | -175.3 | 172 | 0 | 111.5 | T242 F243 Y244 L248 T249 I250 | T242-K246 WeakPolarHBondContact O-CG 3.4Å; T242-K246 PolarHBondContact O-N 2.86Å; T242-K246 VanDerWaalsContact O-N 3.14Å; F243-K246 WeakPolarHBondContact O-CB 3.39Å; F243-K246 PolarHBondContact O-N 3.4Å; Y244-K246 VanDerWaalsContact C-N 3.34Å; Y244-K246 PolarHBondContact O-N 2.96Å; K246-L248 VanDerWaalsContact C-N 3.32Å; K246-L248 PolarHBondContact O-N 3.29Å; K246-T249 PolarHBondContact O-N 2.92Å; K246-I250 HydrophobicContact CB-CD1 4.27Å; K246-I250 WeakPolarHBondContact O-CB 3.32Å; K246-I250 VanDerWaalsContact O-CD1 3.26Å; K246-I250 WeakPolarHBondContact O-CD1 3.43Å; K246-I250 VanDerWaalsContact O-CG1 3.23Å; K246-I250 WeakPolarHBondContact O-CG1 3.16Å; K246-I250 PolarHBondContact O-N 3.46Å |
| 247 | L | 86.8 | Confident | 85.8 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.5 | -40.6 | 177.4 | -67.3 | -179.1 | 0 | 0 | 0 | 112 | W135 L166 F243 Y244 Q245 T249 I250 F251 L258 | W135-L247 HydrophobicContact CD2-CD2 4.44Å; W135-L247 HydrophobicContact CE3-CD2 4.47Å; W135-L247 HydrophobicContact CH2-CD2 4.09Å; W135-L247 HydrophobicContact CZ2-CD2 4.05Å; W135-L247 HydrophobicContact CZ3-CD2 4.31Å; L166-L247 HydrophobicContact CB-CD1 4.35Å; L166-L247 HydrophobicContact CD1-CD1 4.07Å; L166-L247 HydrophobicContact CD1-CD2 4.21Å; F243-L247 HydrophobicContact CD1-CD1 4.14Å; F243-L247 HydrophobicContact CE1-CD1 3.52Å; F243-L247 HydrophobicContact CE1-CG 4.22Å; F243-L247 HydrophobicContact CE2-CD1 4.3Å; F243-L247 HydrophobicContact CE2-CD2 4.21Å; F243-L247 HydrophobicContact CE2-CG 4.21Å; F243-L247 HydrophobicContact CZ-CD1 3.62Å; F243-L247 HydrophobicContact CZ-CD2 4.17Å; F243-L247 HydrophobicContact CZ-CG 4.03Å; F243-L247 WeakPolarHBondContact O-CG 3.35Å; F243-L247 PolarHBondContact O-N 2.69Å; Y244-L247 HydrophobicContact CD1-CD1 3.9Å; Y244-L247 HydrophobicContact CE1-CD1 4.17Å; Y244-L247 PolarHBondContact O-N 3.17Å; Q245-L247 VanDerWaalsContact C-N 3.33Å; Q245-L247 PolarHBondContact O-N 3.03Å; L247-T249 VanDerWaalsContact C-N 3.32Å; L247-T249 PolarHBondContact O-N 2.85Å; L247-I250 PolarHBondContact O-N 2.73Å; L247-F251 HydrophobicContact CB-CD2 4.42Å; L247-F251 HydrophobicContact CD2-CD2 4.02Å; L247-F251 HydrophobicContact CD2-CE2 3.83Å; L247-F251 WeakPolarHBondContact O-CB 3.45Å; L247-F251 PolarHBondContact O-N 3.24Å; L247-L258 HydrophobicContact CB-CD1 3.54Å; L247-L258 HydrophobicContact CD1-CD1 4.42Å |
| 248 | L | 88.6 | Confident | 86.1 | Confident | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.8 | -39.2 | 175.9 | -75.4 | 165.1 | 0 | 0 | 0 | 112.1 | Y244 Q245 K246 K255 L258 L259 V308 | Y244-L248 WeakPolarHBondContact O-CG 3.25Å; Y244-L248 PolarHBondContact O-N 3.45Å; Q245-L248 WeakPolarHBondContact O-CB 3.45Å; Q245-L248 PolarHBondContact O-N 3.03Å; K246-L248 VanDerWaalsContact C-N 3.32Å; K246-L248 PolarHBondContact O-N 3.29Å; L248-K255 HydrophobicContact CD2-CG 3.85Å; L248-L258 HydrophobicContact CD2-CB 4.44Å; L248-L258 HydrophobicContact CD2-CD1 4.17Å; L248-L258 HydrophobicContact CD2-CD2 3.79Å; L248-L258 HydrophobicContact CD2-CG 4.36Å; L248-L258 HydrophobicContact CG-CD1 4.2Å; L248-L258 HydrophobicContact CG-CD2 3.99Å; L248-L259 HydrophobicContact CD1-CD2 4.13Å; L248-L259 HydrophobicContact CD2-CD1 4.48Å; L248-L259 HydrophobicContact CD2-CD2 3.73Å; L248-L259 HydrophobicContact CD2-CG 3.83Å; L248-V308 HydrophobicContact CD1-CG1 4.28Å; L248-V308 HydrophobicContact CD1-CG2 4.12Å |
| 249 | T | 85.3 | Confident | 86.4 | Confident | 67 Ų | 67 | 36 Ų | 36 | 41% | 0.411 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -68.4 | -44.3 | 174.3 | -49.2 | 0 | 0 | 0 | 0 | 111.5 | Q245 K246 L247 T252 | Q245-T249 PolarHBondContact NE2-OG1 3.21Å; Q245-T249 PolarHBondContact O-N 3.4Å; Q245-T249 VanDerWaalsContact O-N 3.08Å; Q245-T249 PolarHBondContact O-OG1 3.15Å; K246-T249 PolarHBondContact O-N 2.92Å; L247-T249 VanDerWaalsContact C-N 3.32Å; L247-T249 PolarHBondContact O-N 2.85Å; T249-T252 PolarHBondContact O-OG1 3.25Å |
| 250 | I | 80.1 | Confident | 86.7 | Confident | 28 Ų | 28 | 35.6 Ų | 35.6 | 14% | 0.144 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -71.2 | -47.7 | -175.7 | -71 | 155.6 | 0 | 0 | 0 | 111.7 | W135 I139 K246 L247 T252 | W135-I250 HydrophobicContact CB-CD1 3.46Å; W135-I250 VanDerWaalsContact CB-CD1 3.46Å; W135-I250 HydrophobicContact CB-CG1 4.42Å; W135-I250 HydrophobicContact CG-CD1 4Å; I139-I250 HydrophobicContact CD1-CG2 4.16Å; I139-I250 HydrophobicContact CG1-CG2 4.21Å; K246-I250 HydrophobicContact CB-CD1 4.27Å; K246-I250 WeakPolarHBondContact O-CB 3.32Å; K246-I250 VanDerWaalsContact O-CD1 3.26Å; K246-I250 WeakPolarHBondContact O-CD1 3.43Å; K246-I250 VanDerWaalsContact O-CG1 3.23Å; K246-I250 WeakPolarHBondContact O-CG1 3.16Å; K246-I250 PolarHBondContact O-N 3.46Å; L247-I250 PolarHBondContact O-N 2.73Å; I250-T252 VanDerWaalsContact C-N 3.34Å; I250-T252 PolarHBondContact O-N 3.19Å |
| 251 | F | 82 | Confident | 86.9 | Confident | 12 Ų | 12 | 35.9 Ų | 35.9 | 5% | 0.053 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 48.7 | -176.7 | -67.3 | -75.7 | 0 | 0 | 0 | 111.7 | W135 L138 I163 L247 P253 L254 K255 | W135-F251 AromaticContact CE3-CE2 3.79Å; W135-F251 HydrophobicContact CE3-CE2 3.79Å; W135-F251 AromaticContact CE3-CZ 3.96Å; W135-F251 HydrophobicContact CE3-CZ 3.96Å; W135-F251 HydrophobicContact CH2-CE2 4.44Å; W135-F251 AromaticContact CZ3-CE2 3.58Å; W135-F251 HydrophobicContact CZ3-CE2 3.58Å; W135-F251 AromaticContact CZ3-CZ 3.65Å; W135-F251 HydrophobicContact CZ3-CZ 3.65Å; L138-F251 HydrophobicContact CD1-CZ 4.4Å; L138-F251 HydrophobicContact CD2-CE1 3.44Å; L138-F251 VanDerWaalsContact CD2-CE1 3.44Å; L138-F251 HydrophobicContact CD2-CZ 3.56Å; I163-F251 HydrophobicContact CG2-CE1 4.09Å; I163-F251 HydrophobicContact CG2-CE2 4.04Å; I163-F251 HydrophobicContact CG2-CZ 3.55Å; L247-F251 HydrophobicContact CB-CD2 4.42Å; L247-F251 HydrophobicContact CD2-CD2 4.02Å; L247-F251 HydrophobicContact CD2-CE2 3.83Å; L247-F251 WeakPolarHBondContact O-CB 3.45Å; L247-F251 PolarHBondContact O-N 3.24Å; F251-P253 VanDerWaalsContact C-N 3.25Å; F251-P253 VanDerWaalsContact O-N 3.15Å; F251-L254 HydrophobicContact CB-CB 4.27Å; F251-L254 HydrophobicContact CD1-CD1 4.23Å; F251-L254 CarbonylContact O-C 3.54Å; F251-L254 WeakPolarHBondContact O-CA 3.25Å; F251-L254 PolarHBondContact O-N 2.96Å; F251-K255 PolarHBondContact O-N 3.49Å |
| 252 | T | 83.7 | Confident | 86.9 | Confident | 93 Ų | 93 | 35.9 Ų | 35.9 | 57% | 0.571 | 20% | 0.195 | S | C | * | . | G | 310 helix | trans | -49.3 | -40.5 | 177.5 | -62.6 | 0 | 0 | 0 | 0 | 113 | T249 I250 L254 K255 | T249-T252 PolarHBondContact O-OG1 3.25Å; I250-T252 VanDerWaalsContact C-N 3.34Å; I250-T252 PolarHBondContact O-N 3.19Å; T252-L254 VanDerWaalsContact C-N 3.33Å; T252-L254 PolarHBondContact O-N 2.97Å; T252-K255 WeakPolarHBondContact O-CB 3.42Å; T252-K255 PolarHBondContact O-N 3.03Å |
| 253 | P | 81.6 | Confident | 87.1 | Confident | 123 Ų | 123 | 35.8 Ų | 35.8 | 80% | 0.799 | 19% | 0.194 | S | C | * | . | G | 310 helix | trans | -66.4 | -27.4 | 176 | -22.3 | 34.8 | 0 | 0 | 0 | 115.1 | F251 | F251-P253 VanDerWaalsContact C-N 3.25Å; F251-P253 VanDerWaalsContact O-N 3.15Å |
| 254 | L | 84.6 | Confident | 87 | Confident | 51 Ų | 51 | 39.2 Ų | 39.2 | 27% | 0.267 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -102.9 | 13.5 | 178.8 | -58.7 | 175.8 | 0 | 0 | 0 | 112 | W167 F251 T252 Y256 D257 L258 | W167-L254 HydrophobicContact CH2-CD1 4.1Å; W167-L254 HydrophobicContact CZ2-CB 4.33Å; W167-L254 HydrophobicContact CZ2-CD1 4.03Å; F251-L254 HydrophobicContact CB-CB 4.27Å; F251-L254 HydrophobicContact CD1-CD1 4.23Å; F251-L254 CarbonylContact O-C 3.54Å; F251-L254 WeakPolarHBondContact O-CA 3.25Å; F251-L254 PolarHBondContact O-N 2.96Å; T252-L254 VanDerWaalsContact C-N 3.33Å; T252-L254 PolarHBondContact O-N 2.97Å; L254-Y256 VanDerWaalsContact C-N 3.32Å; L254-Y256 PolarHBondContact O-N 3.11Å; L254-D257 WeakPolarHBondContact O-CB 3.46Å; L254-D257 PolarHBondContact O-N 3.44Å; L254-D257 VanDerWaalsContact O-N 3.1Å; L254-L258 PolarHBondContact O-N 2.72Å |
| 255 | K | 88.6 | Confident | 86.5 | Confident | 37 Ų | 37 | 42.4 Ų | 42.4 | 16% | 0.161 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -52.7 | -47.5 | -175 | 175.3 | 167.2 | -175.9 | 152.9 | 0 | 112.8 | L248 F251 T252 L258 L259 E311 | L248-K255 HydrophobicContact CD2-CG 3.85Å; F251-K255 PolarHBondContact O-N 3.49Å; T252-K255 WeakPolarHBondContact O-CB 3.42Å; T252-K255 PolarHBondContact O-N 3.03Å; K255-L258 PolarHBondContact O-N 3Å; K255-L259 HydrophobicContact CG-CD1 4.07Å; K255-L259 VanDerWaalsContact O-CG 3.28Å; K255-L259 WeakPolarHBondContact O-CG 3.42Å; K255-L259 PolarHBondContact O-N 2.7Å; K255-E311 WeakPolarHBondContact CE-OE1 3.46Å; K255-E311 IonicContact NZ-OE1 2.8Å; K255-E311 PolarHBondContact NZ-OE1 2.85Å; K255-E311 IonicContact NZ-OE2 3.18Å; K255-E311 PolarHBondContact NZ-OE2 3.17Å |
| 256 | Y | 87.7 | Confident | 86 | Confident | 129 Ų | 129 | 46.9 Ų | 46.9 | 51% | 0.506 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -71 | -31.5 | -178.8 | -64.1 | -63.3 | 0 | 0 | 0 | 113.2 | L254 L259 A260 Y315 | L254-Y256 VanDerWaalsContact C-N 3.32Å; L254-Y256 PolarHBondContact O-N 3.11Å; Y256-L259 HydrophobicContact CD1-CD1 4.43Å; Y256-A260 VanDerWaalsContact O-CB 3.3Å; Y256-A260 WeakPolarHBondContact O-CB 3.26Å; Y256-A260 PolarHBondContact O-N 3.21Å; Y256-Y315 AromaticContact CD1-CD2 3.86Å; Y256-Y315 HydrophobicContact CD1-CD2 3.86Å; Y256-Y315 AromaticContact CD1-CE2 3.99Å; Y256-Y315 HydrophobicContact CD1-CE2 3.99Å |
| 257 | D | 86.4 | Confident | 86.2 | Confident | 69 Ų | 69 | 50.3 Ų | 50.3 | 37% | 0.369 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.2 | -41.7 | 173.2 | -175.5 | 46.3 | 0 | 0 | 0 | 110.8 | W167 L254 A260 G261 | W167-D257 PolarHBondContact NE1-OD2 2.92Å; L254-D257 WeakPolarHBondContact O-CB 3.46Å; L254-D257 PolarHBondContact O-N 3.44Å; L254-D257 VanDerWaalsContact O-N 3.1Å; D257-A260 WeakPolarHBondContact O-CB 3.46Å; D257-A260 PolarHBondContact O-N 2.99Å; D257-G261 PolarHBondContact O-N 3.34Å |
| 258 | L | 90.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.9 | -48.1 | 174.2 | -169.4 | 168.9 | 0 | 0 | 0 | 111.5 | W167 Y244 L247 L248 L254 K255 A260 G261 L262 | W167-L258 HydrophobicContact CB-CG 4.19Å; W167-L258 HydrophobicContact CD2-CB 4.23Å; W167-L258 HydrophobicContact CD2-CG 4.19Å; W167-L258 HydrophobicContact CE3-CD1 4.34Å; W167-L258 HydrophobicContact CE3-CG 4.17Å; W167-L258 HydrophobicContact CG-CB 4.28Å; W167-L258 HydrophobicContact CG-CG 4.25Å; Y244-L258 HydrophobicContact CD1-CD2 4.04Å; L247-L258 HydrophobicContact CB-CD1 3.54Å; L247-L258 HydrophobicContact CD1-CD1 4.42Å; L248-L258 HydrophobicContact CD2-CB 4.44Å; L248-L258 HydrophobicContact CD2-CD1 4.17Å; L248-L258 HydrophobicContact CD2-CD2 3.79Å; L248-L258 HydrophobicContact CD2-CG 4.36Å; L248-L258 HydrophobicContact CG-CD1 4.2Å; L248-L258 HydrophobicContact CG-CD2 3.99Å; L254-L258 PolarHBondContact O-N 2.72Å; K255-L258 PolarHBondContact O-N 3Å; L258-A260 VanDerWaalsContact C-N 3.33Å; L258-A260 PolarHBondContact O-N 2.82Å; L258-G261 PolarHBondContact O-N 3.44Å; L258-G261 VanDerWaalsContact O-N 3.16Å; L258-L262 HydrophobicContact CD2-CD1 3.53Å; L258-L262 HydrophobicContact CD2-CG 3.94Å; L258-L262 PolarHBondContact O-N 3.01Å |
| 259 | L | 92.8 | Very high | 86.6 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 176.9 | -67.4 | 172.6 | 0 | 0 | 0 | 111.6 | L248 K255 Y256 G261 L262 C263 E311 Y315 | L248-L259 HydrophobicContact CD1-CD2 4.13Å; L248-L259 HydrophobicContact CD2-CD1 4.48Å; L248-L259 HydrophobicContact CD2-CD2 3.73Å; L248-L259 HydrophobicContact CD2-CG 3.83Å; K255-L259 HydrophobicContact CG-CD1 4.07Å; K255-L259 VanDerWaalsContact O-CG 3.28Å; K255-L259 WeakPolarHBondContact O-CG 3.42Å; K255-L259 PolarHBondContact O-N 2.7Å; Y256-L259 HydrophobicContact CD1-CD1 4.43Å; L259-G261 VanDerWaalsContact C-N 3.31Å; L259-G261 PolarHBondContact O-N 2.79Å; L259-L262 PolarHBondContact O-N 2.87Å; L259-C263 WeakPolarHBondContact O-CB 3.4Å; L259-C263 PolarHBondContact O-N 3.24Å; L259-C263 PolarHBondContact O-SG 3.29Å; L259-E311 HydrophobicContact CD1-CG 3.89Å; L259-E311 HydrophobicContact CD2-CB 4.46Å; L259-E311 HydrophobicContact CD2-CG 3.95Å; L259-Y315 HydrophobicContact CB-CD1 4.13Å; L259-Y315 HydrophobicContact CB-CD2 4.19Å; L259-Y315 HydrophobicContact CB-CG 3.88Å; L259-Y315 HydrophobicContact CD1-CD2 4.46Å; L259-Y315 HydrophobicContact CD1-CG 4.46Å |
| 260 | A | 89.2 | Confident | 87 | Confident | 26 Ų | 26 | 48.1 Ų | 48.1 | 22% | 0.215 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.8 | -45.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y256 D257 L258 L262 C263 C264 Y315 | Y256-A260 VanDerWaalsContact O-CB 3.3Å; Y256-A260 WeakPolarHBondContact O-CB 3.26Å; Y256-A260 PolarHBondContact O-N 3.21Å; D257-A260 WeakPolarHBondContact O-CB 3.46Å; D257-A260 PolarHBondContact O-N 2.99Å; L258-A260 VanDerWaalsContact C-N 3.33Å; L258-A260 PolarHBondContact O-N 2.82Å; A260-L262 PolarHBondContact O-N 3.34Å; A260-C263 CarbonylContact O-C 3.6Å; A260-C263 PolarHBondContact O-N 3.22Å; A260-C263 VanDerWaalsContact O-N 3.12Å; A260-C264 PolarHBondContact O-N 3.48Å; A260-C264 PolarHBondContact O-SG 2.87Å; A260-Y315 HydrophobicContact CB-CE1 3.96Å; A260-Y315 WeakPolarHBondContact CB-OH 3.28Å |
| 261 | G | 89.5 | Confident | 87.5 | Confident | 7 Ų | 7 | 49 Ų | 49 | 7% | 0.072 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.8 | -42.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | W167 D257 L258 L259 C263 C264 | W167-G261 CarbonylContact O-C 3.58Å; W167-G261 WeakPolarHBondContact O-CA 3.34Å; D257-G261 PolarHBondContact O-N 3.34Å; L258-G261 PolarHBondContact O-N 3.44Å; L258-G261 VanDerWaalsContact O-N 3.16Å; L259-G261 VanDerWaalsContact C-N 3.31Å; L259-G261 PolarHBondContact O-N 2.79Å; G261-C263 VanDerWaalsContact C-N 3.29Å; G261-C263 PolarHBondContact O-N 3.37Å; G261-C264 PolarHBondContact O-N 2.87Å |
| 262 | L | 90.8 | Very high | 87.9 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.016 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.3 | -31.4 | 173.7 | -70.8 | 176.8 | 0 | 0 | 0 | 112.7 | V172 F176 Y244 L258 L259 A260 V308 | V172-L262 HydrophobicContact CG1-CD2 4.34Å; V172-L262 HydrophobicContact CG2-CD2 4.31Å; F176-L262 HydrophobicContact CE2-CD2 4.13Å; Y244-L262 HydrophobicContact CD1-CD1 4.19Å; Y244-L262 HydrophobicContact CD1-CD2 3.83Å; Y244-L262 HydrophobicContact CD1-CG 4.31Å; Y244-L262 HydrophobicContact CD2-CD2 3.96Å; Y244-L262 HydrophobicContact CE1-CD2 3.73Å; Y244-L262 HydrophobicContact CE1-CG 4.46Å; Y244-L262 HydrophobicContact CE2-CD2 3.85Å; Y244-L262 HydrophobicContact CG-CD1 4.23Å; Y244-L262 HydrophobicContact CG-CD2 3.95Å; L258-L262 HydrophobicContact CD2-CD1 3.53Å; L258-L262 HydrophobicContact CD2-CG 3.94Å; L258-L262 PolarHBondContact O-N 3.01Å; L259-L262 PolarHBondContact O-N 2.87Å; A260-L262 PolarHBondContact O-N 3.34Å; L262-V308 HydrophobicContact CD1-CG1 4.08Å |
| 263 | C | 90 | Very high | 88.3 | Confident | 12 Ų | 12 | 44.3 Ų | 44.3 | 8% | 0.081 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -87.9 | -7.4 | -179.2 | -63 | 0 | 0 | 0 | 0 | 114 | L259 A260 G261 Q265 S312 Y315 L316 | L259-C263 WeakPolarHBondContact O-CB 3.4Å; L259-C263 PolarHBondContact O-N 3.24Å; L259-C263 PolarHBondContact O-SG 3.29Å; A260-C263 CarbonylContact O-C 3.6Å; A260-C263 PolarHBondContact O-N 3.22Å; A260-C263 VanDerWaalsContact O-N 3.12Å; G261-C263 VanDerWaalsContact C-N 3.29Å; G261-C263 PolarHBondContact O-N 3.37Å; C263-Q265 PolarHBondContact O-N 3.46Å; C263-Q265 VanDerWaalsContact O-N 3.08Å; C263-S312 PolarHBondContact SG-O 2.92Å; C263-S312 VanDerWaalsContact SG-O 3.4Å; C263-Y315 HydrophobicContact CB-CD1 4.36Å; C263-L316 HydrophobicContact CB-CD2 4.27Å |
| 264 | C | 82.9 | Confident | 88.6 | Confident | 76 Ų | 76 | 42.6 Ų | 42.6 | 51% | 0.514 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -16.7 | -179 | -79 | 0 | 0 | 0 | 0 | 114.6 | R169 A260 G261 | R169-C264 HydrophobicContact CB-CB 4.42Å; A260-C264 PolarHBondContact O-N 3.48Å; A260-C264 PolarHBondContact O-SG 2.87Å; G261-C264 PolarHBondContact O-N 2.87Å |
| 265 | Q | 81 | Confident | 88.5 | Confident | 68 Ų | 68 | 42.1 Ų | 42.1 | 32% | 0.318 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -107.2 | 100.8 | 179 | -65.5 | -72 | -14.9 | 0 | 0 | 109.6 | C263 K267 L268 | C263-Q265 PolarHBondContact O-N 3.46Å; C263-Q265 VanDerWaalsContact O-N 3.08Å; Q265-K267 PolarHBondContact O-N 2.93Å; Q265-L268 HydrophobicContact CB-CB 3.96Å; Q265-L268 WeakPolarHBondContact O-CB 3.38Å; Q265-L268 PolarHBondContact O-N 3.39Å |
| 266 | D | 79.9 | Confident | 88 | Confident | 106 Ų | 106 | 40.6 Ų | 40.6 | 57% | 0.567 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | -33.6 | -175.4 | -59.2 | -13.7 | 0 | 0 | 0 | 114 | P270 | D266-P270 VanDerWaalsContact O-CD 3.27Å; D266-P270 WeakPolarHBondContact O-CD 3.47Å |
| 267 | K | 87.7 | Confident | 87.5 | Confident | 143 Ų | 143 | 34.8 Ų | 34.8 | 62% | 0.622 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -15.1 | -177.1 | -62.5 | -174.6 | 179.5 | -175.9 | 0 | 114 | L180 Q265 K271 | L180-K267 HydrophobicContact CD2-CB 4.46Å; Q265-K267 PolarHBondContact O-N 2.93Å; K267-K271 WeakPolarHBondContact O-CB 3.46Å; K267-K271 VanDerWaalsContact O-CG 3.27Å; K267-K271 WeakPolarHBondContact O-CG 3.35Å; K267-K271 PolarHBondContact O-N 3.47Å |
| 268 | L | 91.6 | Very high | 86.8 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.8 | -58.7 | -171.1 | 177.3 | 58.5 | 0 | 0 | 0 | 111.4 | V172 F176 L180 Q265 K271 L272 | V172-L268 HydrophobicContact CG1-CD2 3.79Å; F176-L268 HydrophobicContact CB-CD1 3.54Å; F176-L268 HydrophobicContact CD1-CD1 3.84Å; F176-L268 HydrophobicContact CD2-CD1 4.07Å; F176-L268 HydrophobicContact CD2-CD2 3.73Å; F176-L268 HydrophobicContact CE2-CD2 4.04Å; F176-L268 HydrophobicContact CG-CD1 3.56Å; F176-L268 HydrophobicContact CG-CD2 4.11Å; F176-L268 HydrophobicContact CG-CG 4.49Å; L180-L268 HydrophobicContact CD2-CB 4.19Å; L180-L268 HydrophobicContact CD2-CD1 4.22Å; L180-L268 HydrophobicContact CG-CD1 4.39Å; Q265-L268 HydrophobicContact CB-CB 3.96Å; Q265-L268 WeakPolarHBondContact O-CB 3.38Å; Q265-L268 PolarHBondContact O-N 3.39Å; L268-K271 PolarHBondContact O-N 3.38Å; L268-L272 HydrophobicContact CD1-CD1 4.08Å; L268-L272 HydrophobicContact CD1-CD2 4.32Å; L268-L272 HydrophobicContact CD1-CG 3.95Å; L268-L272 HydrophobicContact CG-CD1 4.03Å; L268-L272 HydrophobicContact CG-CG 4.29Å; L268-L272 WeakPolarHBondContact O-CG 3.47Å; L268-L272 PolarHBondContact O-N 3.32Å |
| 269 | L | 93.6 | Very high | 86 | Confident | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.5 | -44.5 | -175.5 | -58.5 | -175.4 | 0 | 0 | 0 | 112.8 | K271 L272 W273 F309 L316 F332 | L269-K271 VanDerWaalsContact C-N 3.28Å; L269-K271 PolarHBondContact O-N 2.95Å; L269-L272 HydrophobicContact CD2-CD1 4.14Å; L269-L272 WeakPolarHBondContact O-CB 3.47Å; L269-L272 PolarHBondContact O-N 3.06Å; L269-L272 VanDerWaalsContact O-N 3.16Å; L269-W273 PolarHBondContact O-N 2.94Å; L269-F309 HydrophobicContact CB-CE2 4.1Å; L269-F309 HydrophobicContact CD2-CD2 4.28Å; L269-F309 WeakPolarHBondContact O-CE2 3.42Å; L269-L316 HydrophobicContact CD1-CD2 4.15Å; L269-F332 HydrophobicContact CB-CE1 3.77Å; L269-F332 HydrophobicContact CB-CZ 3.63Å; L269-F332 HydrophobicContact CD1-CZ 4.05Å |
| 270 | P | 92.7 | Very high | 85.9 | Confident | 18 Ų | 18 | 40.7 Ų | 40.7 | 12% | 0.117 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.4 | -39.7 | 176.1 | -26.7 | 36.5 | 0 | 0 | 0 | 112.9 | D266 W273 T274 P331 F332 | D266-P270 VanDerWaalsContact O-CD 3.27Å; D266-P270 WeakPolarHBondContact O-CD 3.47Å; P270-W273 WeakPolarHBondContact O-CB 3.45Å; P270-W273 PolarHBondContact O-N 3.42Å; P270-T274 PolarHBondContact O-N 2.96Å; P270-T274 PolarHBondContact O-OG1 3.21Å; P270-P331 HydrophobicContact CG-CB 4.26Å; P270-P331 WeakPolarHBondContact CG-O 3.13Å; P270-F332 HydrophobicContact CB-CD1 4.38Å; P270-F332 HydrophobicContact CG-CD1 3.93Å; P270-F332 HydrophobicContact CG-CE1 4.03Å |
| 271 | K | 90 | Very high | 86.1 | Confident | 48 Ų | 48 | 39.8 Ų | 39.8 | 21% | 0.209 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.7 | -38.2 | 175.8 | -71.8 | -171.2 | 172.9 | -162 | 0 | 112.7 | V179 L180 K267 L268 L269 W273 T274 S275 | V179-K271 HydrophobicContact CG1-CB 3.64Å; V179-K271 HydrophobicContact CG1-CD 4.34Å; V179-K271 WeakPolarHBondContact O-CD 3.34Å; V179-K271 PolarHBondContact O-NZ 3.3Å; L180-K271 PolarHBondContact O-NZ 3.39Å; K267-K271 WeakPolarHBondContact O-CB 3.46Å; K267-K271 VanDerWaalsContact O-CG 3.27Å; K267-K271 WeakPolarHBondContact O-CG 3.35Å; K267-K271 PolarHBondContact O-N 3.47Å; L268-K271 PolarHBondContact O-N 3.38Å; L269-K271 VanDerWaalsContact C-N 3.28Å; L269-K271 PolarHBondContact O-N 2.95Å; K271-W273 VanDerWaalsContact C-N 3.33Å; K271-T274 WeakPolarHBondContact CA-OG1 3.17Å; K271-T274 PolarHBondContact O-N 3.45Å; K271-T274 PolarHBondContact O-OG1 3.3Å; K271-S275 PolarHBondContact O-N 3.15Å; K271-S275 PolarHBondContact O-OG 3.29Å |
| 272 | L | 91.1 | Very high | 86.2 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.2 | -43.9 | 172.7 | -70.7 | -178 | 0 | 0 | 0 | 111.2 | F176 V179 L237 L241 L268 L269 T274 S275 F276 F309 | F176-L272 HydrophobicContact CD1-CD2 4.2Å; F176-L272 HydrophobicContact CE1-CD1 4.37Å; F176-L272 HydrophobicContact CE1-CD2 4.17Å; V179-L272 HydrophobicContact CG1-CD2 4.4Å; L237-L272 HydrophobicContact CD1-CD2 3.32Å; L237-L272 HydrophobicContact CD2-CD2 4.28Å; L237-L272 HydrophobicContact CG-CD2 4.27Å; L241-L272 HydrophobicContact CD1-CD2 4.43Å; L241-L272 HydrophobicContact CD2-CD1 4.42Å; L268-L272 HydrophobicContact CD1-CD1 4.08Å; L268-L272 HydrophobicContact CD1-CD2 4.32Å; L268-L272 HydrophobicContact CD1-CG 3.95Å; L268-L272 HydrophobicContact CG-CD1 4.03Å; L268-L272 HydrophobicContact CG-CG 4.29Å; L268-L272 WeakPolarHBondContact O-CG 3.47Å; L268-L272 PolarHBondContact O-N 3.32Å; L269-L272 HydrophobicContact CD2-CD1 4.14Å; L269-L272 WeakPolarHBondContact O-CB 3.47Å; L269-L272 PolarHBondContact O-N 3.06Å; L269-L272 VanDerWaalsContact O-N 3.16Å; L272-T274 PolarHBondContact O-N 2.84Å; L272-S275 WeakPolarHBondContact O-CA 3.28Å; L272-S275 WeakPolarHBondContact O-CB 3.46Å; L272-S275 PolarHBondContact O-N 3.39Å; L272-F276 HydrophobicContact CB-CD2 4.39Å; L272-F276 HydrophobicContact CB-CE2 4.24Å; L272-F276 WeakPolarHBondContact O-CD2 3.35Å; L272-F276 PolarHBondContact O-N 2.96Å; L272-F309 HydrophobicContact CB-CD2 3.98Å; L272-F309 HydrophobicContact CB-CE2 4.46Å |
| 273 | W | 91.8 | Very high | 86.3 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -54.5 | -52.1 | 175.6 | 177.2 | -115.6 | 0 | 0 | 0 | 111.4 | L269 P270 K271 S275 F276 V277 F309 F310 E339 M340 F343 | L269-W273 PolarHBondContact O-N 2.94Å; P270-W273 WeakPolarHBondContact O-CB 3.45Å; P270-W273 PolarHBondContact O-N 3.42Å; K271-W273 VanDerWaalsContact C-N 3.33Å; W273-S275 PolarHBondContact O-N 3.07Å; W273-S275 VanDerWaalsContact O-N 3.15Å; W273-F276 PolarHBondContact O-N 2.8Å; W273-F276 VanDerWaalsContact O-N 3.12Å; W273-V277 HydrophobicContact CD2-CB 4.3Å; W273-V277 HydrophobicContact CE3-CB 4.23Å; W273-V277 HydrophobicContact CE3-CG2 3.94Å; W273-V277 HydrophobicContact CH2-CB 3.81Å; W273-V277 HydrophobicContact CH2-CG1 3.82Å; W273-V277 HydrophobicContact CH2-CG2 3.55Å; W273-V277 HydrophobicContact CZ2-CB 3.87Å; W273-V277 HydrophobicContact CZ2-CG1 3.71Å; W273-V277 HydrophobicContact CZ2-CG2 4.15Å; W273-V277 HydrophobicContact CZ3-CB 4Å; W273-V277 HydrophobicContact CZ3-CG1 4.5Å; W273-V277 HydrophobicContact CZ3-CG2 3.43Å; W273-V277 VanDerWaalsContact CZ3-CG2 3.43Å; W273-V277 PolarHBondContact O-N 3.43Å; W273-F309 HydrophobicContact CB-CE2 3.98Å; W273-F309 HydrophobicContact CB-CZ 3.82Å; W273-F309 HydrophobicContact CD2-CE1 4.46Å; W273-F309 HydrophobicContact CD2-CZ 4.3Å; W273-F309 HydrophobicContact CE3-CD1 4.35Å; W273-F309 AromaticContact CE3-CE1 3.53Å; W273-F309 HydrophobicContact CE3-CE1 3.53Å; W273-F309 AromaticContact CE3-CZ 3.77Å; W273-F309 HydrophobicContact CE3-CZ 3.77Å; W273-F309 HydrophobicContact CG-CZ 4.37Å; W273-F309 HydrophobicContact CZ3-CE1 4.07Å; W273-F310 HydrophobicContact CH2-CZ 4.41Å; W273-F310 HydrophobicContact CZ3-CE1 4.46Å; W273-F310 HydrophobicContact CZ3-CE2 4.48Å; W273-F310 AromaticContact CZ3-CZ 3.79Å; W273-F310 HydrophobicContact CZ3-CZ 3.79Å; W273-E339 HydrophobicContact CZ2-CB 3.9Å; W273-E339 PolarHBondContact NE1-OE2 3.33Å; W273-E339 VanDerWaalsContact NE1-OE2 3.12Å; W273-M340 HydrophobicContact CB-CE 3.83Å; W273-M340 HydrophobicContact CD2-CE 3.6Å; W273-M340 HydrophobicContact CD2-CG 3.79Å; W273-M340 HydrophobicContact CE3-CE 4.11Å; W273-M340 HydrophobicContact CE3-CG 3.83Å; W273-M340 HydrophobicContact CG-CE 3.44Å; W273-M340 VanDerWaalsContact CG-CE 3.44Å; W273-M340 HydrophobicContact CH2-CB 4.19Å; W273-M340 HydrophobicContact CH2-CG 3.65Å; W273-M340 HydrophobicContact CZ2-CB 4.31Å; W273-M340 HydrophobicContact CZ2-CG 3.6Å; W273-M340 HydrophobicContact CZ3-CG 3.77Å; W273-F343 HydrophobicContact CH2-CB 3.88Å; W273-F343 HydrophobicContact CH2-CD2 4.48Å; W273-F343 HydrophobicContact CH2-CG 4.09Å |
| 274 | T | 87.5 | Confident | 86.4 | Confident | 88 Ų | 88 | 45.3 Ų | 45.3 | 54% | 0.54 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.5 | -18.9 | 178.3 | 58.2 | 0 | 0 | 0 | 0 | 114 | P270 K271 L272 | P270-T274 PolarHBondContact O-N 2.96Å; P270-T274 PolarHBondContact O-OG1 3.21Å; K271-T274 WeakPolarHBondContact CA-OG1 3.17Å; K271-T274 PolarHBondContact O-N 3.45Å; K271-T274 PolarHBondContact O-OG1 3.3Å; L272-T274 PolarHBondContact O-N 2.84Å |
| 275 | S | 83.2 | Confident | 87 | Confident | 41 Ų | 41 | 41.7 Ų | 41.7 | 29% | 0.287 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -85.4 | -30.4 | 176.6 | -56.6 | 0 | 0 | 0 | 0 | 112.3 | K271 L272 W273 | K271-S275 PolarHBondContact O-N 3.15Å; K271-S275 PolarHBondContact O-OG 3.29Å; L272-S275 WeakPolarHBondContact O-CA 3.28Å; L272-S275 WeakPolarHBondContact O-CB 3.46Å; L272-S275 PolarHBondContact O-N 3.39Å; W273-S275 PolarHBondContact O-N 3.07Å; W273-S275 VanDerWaalsContact O-N 3.15Å |
| 276 | F | 78 | Confident | 87.6 | Confident | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -87.9 | -40.9 | -179 | -75.9 | -53.7 | 0 | 0 | 0 | 113.8 | W214 L237 L241 L272 W273 F309 | W214-F276 HydrophobicContact CH2-CD1 4.49Å; W214-F276 HydrophobicContact CZ2-CD1 4.29Å; L237-F276 HydrophobicContact CD2-CE1 3.96Å; L237-F276 HydrophobicContact CD2-CE2 4.46Å; L237-F276 HydrophobicContact CD2-CZ 3.84Å; L237-F276 HydrophobicContact CG-CZ 4.47Å; L241-F276 HydrophobicContact CD1-CE1 4.48Å; L241-F276 HydrophobicContact CD1-CE2 3.78Å; L241-F276 HydrophobicContact CD1-CZ 3.32Å; L272-F276 HydrophobicContact CB-CD2 4.39Å; L272-F276 HydrophobicContact CB-CE2 4.24Å; L272-F276 WeakPolarHBondContact O-CD2 3.35Å; L272-F276 PolarHBondContact O-N 2.96Å; W273-F276 PolarHBondContact O-N 2.8Å; W273-F276 VanDerWaalsContact O-N 3.12Å; F276-F309 HydrophobicContact CD2-CB 4.44Å; F276-F309 HydrophobicContact CE2-CB 4.17Å |
| 277 | V | 76.5 | Confident | 88.3 | Confident | 7 Ų | 7 | 37.4 Ų | 37.4 | 4% | 0.042 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -120.6 | 125.3 | -169.6 | 178.8 | 0 | 0 | 0 | 0 | 108.2 | W273 V281 F343 | W273-V277 HydrophobicContact CD2-CB 4.3Å; W273-V277 HydrophobicContact CE3-CB 4.23Å; W273-V277 HydrophobicContact CE3-CG2 3.94Å; W273-V277 HydrophobicContact CH2-CB 3.81Å; W273-V277 HydrophobicContact CH2-CG1 3.82Å; W273-V277 HydrophobicContact CH2-CG2 3.55Å; W273-V277 HydrophobicContact CZ2-CB 3.87Å; W273-V277 HydrophobicContact CZ2-CG1 3.71Å; W273-V277 HydrophobicContact CZ2-CG2 4.15Å; W273-V277 HydrophobicContact CZ3-CB 4Å; W273-V277 HydrophobicContact CZ3-CG1 4.5Å; W273-V277 HydrophobicContact CZ3-CG2 3.43Å; W273-V277 VanDerWaalsContact CZ3-CG2 3.43Å; W273-V277 PolarHBondContact O-N 3.43Å; V277-V281 HydrophobicContact CG1-CG2 4.19Å; V277-F343 HydrophobicContact CG1-CD2 4.36Å; V277-F343 HydrophobicContact CG2-CD2 4.08Å; V277-F343 HydrophobicContact CG2-CE2 4.04Å |
| 278 | S | 72.1 | Confident | 88.6 | Confident | 26 Ų | 26 | 30.6 Ų | 30.6 | 18% | 0.182 | 18% | 0.182 | C | C | . | . | trans | -75.3 | 169.9 | 174.1 | 70.9 | 0 | 0 | 0 | 0 | 110.9 | L216 D280 S284 | L216-S278 WeakPolarHBondContact CD1-OG 3.09Å; L216-S278 WeakPolarHBondContact CD2-OG 3.47Å; S278-D280 PolarHBondContact O-N 3.14Å; S278-D280 PolarHBondContact OG-N 3Å; S278-D280 PolarHBondContact OG-O 2.88Å; S278-S284 PolarHBondContact N-OG 3.48Å; S278-S284 PolarHBondContact OG-OG 2.94Å; S278-S284 VanDerWaalsContact OG-OG 3.04Å | ||
| 279 | S | 74.6 | Confident | 88.7 | Confident | 115 Ų | 115 | 30.6 Ų | 30.6 | 80% | 0.804 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -55.6 | -19.4 | 170.6 | 57.1 | 0 | 0 | 0 | 0 | 113.7 | ||
| 280 | D | 89.3 | Confident | 88.8 | Confident | 56 Ų | 56 | 33.7 Ų | 33.7 | 30% | 0.299 | 20% | 0.198 | S | C | . | . | trans | -96 | 90.5 | 171.8 | -171.1 | -22.9 | 0 | 0 | 0 | 110.5 | S278 P282 N283 S284 | S278-D280 PolarHBondContact O-N 3.14Å; S278-D280 PolarHBondContact OG-N 3Å; S278-D280 PolarHBondContact OG-O 2.88Å; D280-P282 VanDerWaalsContact OD1-CD 3.28Å; D280-P282 WeakPolarHBondContact OD1-CD 3.48Å; D280-N283 HydrophobicContact CB-CB 4.3Å; D280-N283 PolarHBondContact OD1-N 2.73Å; D280-N283 VanDerWaalsContact OD1-N 3.13Å; D280-N283 PolarHBondContact OD2-ND2 3.35Å; D280-S284 WeakPolarHBondContact O-CB 3.36Å; D280-S284 PolarHBondContact O-N 3.12Å; D280-S284 VanDerWaalsContact O-N 3.08Å; D280-S284 PolarHBondContact O-OG 2.7Å | ||
| 281 | V | 93.3 | Very high | 88.9 | Confident | 7 Ų | 7 | 32.9 Ų | 32.9 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62 | -49.1 | -178.8 | 175.1 | 0 | 0 | 0 | 0 | 112.2 | V277 N283 S284 V285 E339 L342 F343 | V277-V281 HydrophobicContact CG1-CG2 4.19Å; V281-N283 VanDerWaalsContact C-N 3.35Å; V281-N283 PolarHBondContact O-N 2.85Å; V281-S284 CarbonylContact O-C 3.53Å; V281-S284 WeakPolarHBondContact O-CA 3.19Å; V281-S284 WeakPolarHBondContact O-CB 3.37Å; V281-S284 PolarHBondContact O-N 3.45Å; V281-S284 VanDerWaalsContact O-N 3.1Å; V281-V285 HydrophobicContact CG1-CG2 4.28Å; V281-V285 WeakPolarHBondContact O-CG2 3.28Å; V281-V285 PolarHBondContact O-N 3.19Å; V281-E339 HydrophobicContact CG2-CB 3.97Å; V281-E339 HydrophobicContact CG2-CG 4.14Å; V281-L342 HydrophobicContact CB-CD2 4.14Å; V281-L342 HydrophobicContact CG1-CB 4.22Å; V281-L342 HydrophobicContact CG1-CD2 4.07Å; V281-L342 HydrophobicContact CG1-CG 3.98Å; V281-F343 HydrophobicContact CG1-CB 3.75Å; V281-F343 HydrophobicContact CG1-CD2 4.29Å |
| 282 | P | 93.1 | Very high | 89 | Confident | 49 Ų | 49 | 31.7 Ų | 31.7 | 32% | 0.318 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -55.7 | -41.5 | 178.3 | -28.7 | 35.9 | 0 | 0 | 0 | 115 | D280 V285 T286 L346 | D280-P282 VanDerWaalsContact OD1-CD 3.28Å; D280-P282 WeakPolarHBondContact OD1-CD 3.48Å; P282-V285 PolarHBondContact O-N 3.03Å; P282-T286 PolarHBondContact O-N 3.39Å; P282-T286 PolarHBondContact O-OG1 3.43Å; P282-L346 HydrophobicContact CG-CD1 4.29Å |
| 283 | N | 92 | Very high | 89.1 | Confident | 88 Ų | 88 | 38.2 Ų | 38.2 | 47% | 0.471 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -68.8 | -39.1 | 175.8 | -81.7 | -24.1 | 0 | 0 | 0 | 111.7 | L216 D280 V281 V285 T286 Y287 | L216-N283 HydrophobicContact CD2-CB 4Å; D280-N283 HydrophobicContact CB-CB 4.3Å; D280-N283 PolarHBondContact OD1-N 2.73Å; D280-N283 VanDerWaalsContact OD1-N 3.13Å; D280-N283 PolarHBondContact OD2-ND2 3.35Å; V281-N283 VanDerWaalsContact C-N 3.35Å; V281-N283 PolarHBondContact O-N 2.85Å; N283-V285 VanDerWaalsContact C-N 3.32Å; N283-V285 PolarHBondContact O-N 3.42Å; N283-T286 PolarHBondContact O-N 2.76Å; N283-Y287 PolarHBondContact O-N 3.09Å |
| 284 | S | 92.3 | Very high | 89 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.007 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61 | -40.8 | 173.7 | -52.9 | 0 | 0 | 0 | 0 | 111.4 | S278 D280 V281 Y287 H288 | S278-S284 PolarHBondContact N-OG 3.48Å; S278-S284 PolarHBondContact OG-OG 2.94Å; S278-S284 VanDerWaalsContact OG-OG 3.04Å; D280-S284 WeakPolarHBondContact O-CB 3.36Å; D280-S284 PolarHBondContact O-N 3.12Å; D280-S284 VanDerWaalsContact O-N 3.08Å; D280-S284 PolarHBondContact O-OG 2.7Å; V281-S284 CarbonylContact O-C 3.53Å; V281-S284 WeakPolarHBondContact O-CA 3.19Å; V281-S284 WeakPolarHBondContact O-CB 3.37Å; V281-S284 PolarHBondContact O-N 3.45Å; V281-S284 VanDerWaalsContact O-N 3.1Å; S284-Y287 WeakPolarHBondContact O-CB 3.31Å; S284-Y287 PolarHBondContact O-N 2.88Å; S284-H288 PolarHBondContact O-N 2.74Å; S284-H288 VanDerWaalsContact O-N 3.17Å; S284-H288 PolarHBondContact O-ND1 3.37Å |
| 285 | V | 95.2 | Very high | 89 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.2 | -48.1 | 173.8 | 170 | 0 | 0 | 0 | 0 | 110.8 | V281 P282 N283 Y287 H288 L289 F343 L346 F347 | V281-V285 HydrophobicContact CG1-CG2 4.28Å; V281-V285 WeakPolarHBondContact O-CG2 3.28Å; V281-V285 PolarHBondContact O-N 3.19Å; P282-V285 PolarHBondContact O-N 3.03Å; N283-V285 VanDerWaalsContact C-N 3.32Å; N283-V285 PolarHBondContact O-N 3.42Å; V285-Y287 VanDerWaalsContact C-N 3.28Å; V285-Y287 PolarHBondContact O-N 2.83Å; V285-H288 PolarHBondContact O-N 2.95Å; V285-H288 VanDerWaalsContact O-N 3.13Å; V285-L289 HydrophobicContact CG1-CD1 3.72Å; V285-L289 HydrophobicContact CG1-CG 4.11Å; V285-L289 VanDerWaalsContact O-CG 3.29Å; V285-L289 WeakPolarHBondContact O-CG 3.1Å; V285-L289 PolarHBondContact O-N 2.97Å; V285-F343 HydrophobicContact CG2-CB 4.36Å; V285-F343 HydrophobicContact CG2-CD2 3.46Å; V285-F343 VanDerWaalsContact CG2-CD2 3.46Å; V285-F343 HydrophobicContact CG2-CE2 3.85Å; V285-F343 HydrophobicContact CG2-CG 3.98Å; V285-L346 HydrophobicContact CG1-CB 4.05Å; V285-L346 HydrophobicContact CG2-CB 4.07Å; V285-F347 HydrophobicContact CG1-CB 4.13Å |
| 286 | T | 94.9 | Very high | 89.4 | Confident | 42 Ų | 42 | 41.9 Ų | 41.9 | 26% | 0.258 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.5 | -39.2 | -178.8 | -55.2 | 0 | 0 | 0 | 0 | 111.6 | P282 N283 L289 N290 | P282-T286 PolarHBondContact O-N 3.39Å; P282-T286 PolarHBondContact O-OG1 3.43Å; N283-T286 PolarHBondContact O-N 2.76Å; T286-L289 PolarHBondContact O-N 3.32Å; T286-N290 PolarHBondContact O-N 3.4Å; T286-N290 PolarHBondContact O-ND2 3.16Å; T286-N290 VanDerWaalsContact O-ND2 3.07Å |
| 287 | Y | 92.8 | Very high | 89.8 | Confident | 41 Ų | 41 | 46.4 Ų | 46.4 | 16% | 0.161 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.9 | -51.6 | 172.7 | 173.2 | -103.6 | 0 | 0 | 0 | 112.2 | W214 N283 S284 V285 L289 N290 L291 | W214-Y287 AromaticContact NE1-CE1 3.88Å; N283-Y287 PolarHBondContact O-N 3.09Å; S284-Y287 WeakPolarHBondContact O-CB 3.31Å; S284-Y287 PolarHBondContact O-N 2.88Å; V285-Y287 VanDerWaalsContact C-N 3.28Å; V285-Y287 PolarHBondContact O-N 2.83Å; Y287-L289 VanDerWaalsContact C-N 3.31Å; Y287-L289 PolarHBondContact O-N 3.35Å; Y287-N290 WeakPolarHBondContact O-CB 3.37Å; Y287-N290 PolarHBondContact O-N 3.07Å; Y287-L291 HydrophobicContact CD1-CD1 4.16Å; Y287-L291 HydrophobicContact CE1-CD1 3.57Å; Y287-L291 HydrophobicContact CE1-CG 4.29Å; Y287-L291 HydrophobicContact CE2-CD2 4.47Å; Y287-L291 PolarHBondContact O-N 3.43Å; Y287-L291 VanDerWaalsContact O-N 3.12Å |
| 288 | H | 94 | Very high | 90.3 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.4 | -32.2 | -179.7 | -68.9 | 86.5 | 0 | 0 | 0 | 112.9 | S284 V285 L291 L292 L303 F343 F347 | S284-H288 PolarHBondContact O-N 2.74Å; S284-H288 VanDerWaalsContact O-N 3.17Å; S284-H288 PolarHBondContact O-ND1 3.37Å; V285-H288 PolarHBondContact O-N 2.95Å; V285-H288 VanDerWaalsContact O-N 3.13Å; H288-L291 WeakPolarHBondContact O-CB 3.25Å; H288-L291 PolarHBondContact O-N 3.41Å; H288-L292 PolarHBondContact O-N 3.22Å; H288-L303 HydrophobicContact CB-CD2 4.45Å; H288-F343 HydrophobicContact CB-CZ 4.22Å; H288-F343 AromaticContact CG-CZ 3.85Å; H288-F343 AromaticContact ND1-CE2 3.68Å; H288-F343 AromaticContact ND1-CZ 3.7Å; H288-F347 HydrophobicContact CB-CD2 4.16Å; H288-F347 HydrophobicContact CB-CE2 3.91Å |
| 289 | L | 95.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.6 | -39.5 | 173.2 | -70.9 | 174.8 | 0 | 0 | 0 | 112.1 | V285 T286 Y287 L291 L292 K293 F347 R350 S351 Y356 | V285-L289 HydrophobicContact CG1-CD1 3.72Å; V285-L289 HydrophobicContact CG1-CG 4.11Å; V285-L289 VanDerWaalsContact O-CG 3.29Å; V285-L289 WeakPolarHBondContact O-CG 3.1Å; V285-L289 PolarHBondContact O-N 2.97Å; T286-L289 PolarHBondContact O-N 3.32Å; Y287-L289 VanDerWaalsContact C-N 3.31Å; Y287-L289 PolarHBondContact O-N 3.35Å; L289-L291 VanDerWaalsContact C-N 3.35Å; L289-L292 WeakPolarHBondContact O-CB 3.39Å; L289-L292 PolarHBondContact O-N 3.11Å; L289-K293 PolarHBondContact O-N 3.47Å; L289-F347 HydrophobicContact CD2-CD2 3.72Å; L289-F347 HydrophobicContact CD2-CE2 3.82Å; L289-F347 HydrophobicContact CD2-CG 4.29Å; L289-F347 HydrophobicContact CD2-CZ 4.47Å; L289-F347 HydrophobicContact CG-CD2 4.05Å; L289-F347 HydrophobicContact CG-CE2 4.32Å; L289-R350 HydrophobicContact CD1-CB 3.64Å; L289-S351 VanDerWaalsContact CD2-CB 3.48Å; L289-Y356 HydrophobicContact CB-CD1 3.66Å; L289-Y356 HydrophobicContact CB-CD2 4.17Å; L289-Y356 HydrophobicContact CB-CE1 3.7Å; L289-Y356 HydrophobicContact CB-CE2 4.2Å; L289-Y356 HydrophobicContact CB-CG 3.9Å; L289-Y356 HydrophobicContact CD1-CD2 4.14Å; L289-Y356 HydrophobicContact CD1-CE2 3.92Å; L289-Y356 HydrophobicContact CD2-CD2 4.33Å; L289-Y356 HydrophobicContact CD2-CG 4.32Å; L289-Y356 HydrophobicContact CG-CD2 4.46Å; L289-Y356 VanDerWaalsContact O-CD1 3.25Å; L289-Y356 WeakPolarHBondContact O-CD1 3.45Å |
| 290 | N | 95.4 | Very high | 92 | Very high | 70 Ų | 70 | 48 Ų | 48 | 37% | 0.374 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 173.8 | -73.1 | -42 | 0 | 0 | 0 | 111.6 | T286 Y287 L292 K293 E294 | T286-N290 PolarHBondContact O-N 3.4Å; T286-N290 PolarHBondContact O-ND2 3.16Å; T286-N290 VanDerWaalsContact O-ND2 3.07Å; Y287-N290 WeakPolarHBondContact O-CB 3.37Å; Y287-N290 PolarHBondContact O-N 3.07Å; N290-L292 VanDerWaalsContact C-N 3.32Å; N290-L292 PolarHBondContact O-N 3.33Å; N290-K293 PolarHBondContact O-N 3.03Å; N290-E294 WeakPolarHBondContact O-CB 3.38Å; N290-E294 VanDerWaalsContact O-CG 3.29Å; N290-E294 WeakPolarHBondContact O-CG 3.39Å; N290-E294 PolarHBondContact O-N 3.2Å |
| 291 | L | 93.5 | Very high | 92 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.9 | -44.1 | 173.2 | -64.4 | -179.3 | 0 | 0 | 0 | 111.8 | F210 Y287 H288 L289 K293 E294 G295 A299 I302 L303 | F210-L291 HydrophobicContact CE1-CD2 3.88Å; F210-L291 HydrophobicContact CZ-CD2 3.63Å; Y287-L291 HydrophobicContact CD1-CD1 4.16Å; Y287-L291 HydrophobicContact CE1-CD1 3.57Å; Y287-L291 HydrophobicContact CE1-CG 4.29Å; Y287-L291 HydrophobicContact CE2-CD2 4.47Å; Y287-L291 PolarHBondContact O-N 3.43Å; Y287-L291 VanDerWaalsContact O-N 3.12Å; H288-L291 WeakPolarHBondContact O-CB 3.25Å; H288-L291 PolarHBondContact O-N 3.41Å; L289-L291 VanDerWaalsContact C-N 3.35Å; L291-K293 VanDerWaalsContact C-N 3.29Å; L291-K293 PolarHBondContact O-N 2.81Å; L291-E294 PolarHBondContact O-N 3.07Å; L291-G295 PolarHBondContact O-N 3.36Å; L291-A299 HydrophobicContact CB-CB 3.9Å; L291-A299 HydrophobicContact CD2-CB 3.87Å; L291-A299 HydrophobicContact CG-CB 4.45Å; L291-A299 WeakPolarHBondContact O-CB 3.49Å; L291-I302 HydrophobicContact CD1-CB 3.92Å; L291-I302 HydrophobicContact CD1-CD1 4.08Å; L291-I302 HydrophobicContact CD1-CG2 3.58Å; L291-I302 HydrophobicContact CD2-CD1 4.45Å; L291-L303 HydrophobicContact CB-CD1 4.34Å; L291-L303 HydrophobicContact CB-CD2 4.44Å; L291-L303 HydrophobicContact CB-CG 4.27Å |
| 292 | L | 93.1 | Very high | 91.8 | Very high | 22 Ų | 22 | 47.3 Ų | 47.3 | 12% | 0.115 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.7 | -41.1 | 177.5 | -178.5 | 67.2 | 0 | 0 | 0 | 111.7 | H288 L289 N290 L303 F347 T357 | H288-L292 PolarHBondContact O-N 3.22Å; L289-L292 WeakPolarHBondContact O-CB 3.39Å; L289-L292 PolarHBondContact O-N 3.11Å; N290-L292 VanDerWaalsContact C-N 3.32Å; N290-L292 PolarHBondContact O-N 3.33Å; L292-L303 HydrophobicContact CB-CD1 4.13Å; L292-L303 HydrophobicContact CD1-CD1 4.12Å; L292-F347 HydrophobicContact CD2-CZ 4.06Å; L292-T357 HydrophobicContact CD2-CG2 3.88Å |
| 293 | K | 92.8 | Very high | 91.8 | Very high | 140 Ų | 140 | 45.3 Ų | 45.3 | 61% | 0.609 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -74.8 | -34 | 179.2 | -176.8 | 175.4 | -178 | 174.5 | 0 | 113.4 | L289 N290 L291 Y356 | L289-K293 PolarHBondContact O-N 3.47Å; N290-K293 PolarHBondContact O-N 3.03Å; L291-K293 VanDerWaalsContact C-N 3.29Å; L291-K293 PolarHBondContact O-N 2.81Å; K293-Y356 HydrophobicContact CB-CD1 3.95Å; K293-Y356 HydrophobicContact CD-CD1 3.93Å; K293-Y356 HydrophobicContact CD-CE1 4.46Å |
| 294 | E | 90.8 | Very high | 91.8 | Very high | 100 Ų | 100 | 43.8 Ų | 43.8 | 47% | 0.467 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.2 | -38.9 | 178.1 | -78.9 | 177.2 | -169.9 | 0 | 0 | 112.3 | N290 L291 T296 | N290-E294 WeakPolarHBondContact O-CB 3.38Å; N290-E294 VanDerWaalsContact O-CG 3.29Å; N290-E294 WeakPolarHBondContact O-CG 3.39Å; N290-E294 PolarHBondContact O-N 3.2Å; L291-E294 PolarHBondContact O-N 3.07Å; E294-T296 HydrophobicContact CB-CG2 4.47Å; E294-T296 PolarHBondContact O-N 2.9Å; E294-T296 VanDerWaalsContact O-N 3.13Å |
| 295 | G | 85.6 | Confident | 91.8 | Very high | 61 Ų | 61 | 43.8 Ų | 43.8 | 63% | 0.629 | 24% | 0.241 | S | C | * | . | trans | 63.5 | 16.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L291 | L291-G295 PolarHBondContact O-N 3.36Š| ||
| 296 | T | 91.7 | Very high | 91.7 | Very high | 48 Ų | 48 | 43.8 Ų | 43.8 | 29% | 0.294 | 24% | 0.241 | S | C | . | . | trans | -72 | 154.4 | 177 | 60.8 | 0 | 0 | 0 | 0 | 111.2 | E294 E298 A299 D300 | E294-T296 HydrophobicContact CB-CG2 4.47Å; E294-T296 PolarHBondContact O-N 2.9Å; E294-T296 VanDerWaalsContact O-N 3.13Å; T296-E298 PolarHBondContact O-N 3.27Å; T296-A299 PolarHBondContact O-N 3.45Å; T296-A299 VanDerWaalsContact O-N 3.09Å; T296-A299 WeakPolarHBondContact OG1-CB 3.24Å; T296-A299 PolarHBondContact OG1-N 2.89Å; T296-A299 VanDerWaalsContact OG1-N 3.14Å; T296-D300 WeakPolarHBondContact O-CB 3.19Å; T296-D300 PolarHBondContact O-N 3.48Å | ||
| 297 | P | 87.8 | Confident | 91.7 | Very high | 99 Ų | 99 | 42 Ų | 42 | 64% | 0.643 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -56.5 | -33.6 | 175.2 | -25.1 | 34.6 | 0 | 0 | 0 | 113.4 | S301 | P297-S301 WeakPolarHBondContact O-CB 3.33Å; P297-S301 PolarHBondContact O-N 3.13Å; P297-S301 PolarHBondContact O-OG 2.82Å |
| 298 | E | 86.5 | Confident | 91.7 | Very high | 124 Ų | 124 | 40 Ų | 40 | 58% | 0.579 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -68.7 | -44.4 | 174.6 | -63.7 | 83.1 | 179.2 | 0 | 0 | 111.8 | T296 S301 I302 | T296-E298 PolarHBondContact O-N 3.27Å; E298-S301 WeakPolarHBondContact O-CB 3.44Å; E298-S301 PolarHBondContact O-N 3.38Å; E298-I302 WeakPolarHBondContact O-CG1 3.43Å; E298-I302 PolarHBondContact O-N 3.13Å |
| 299 | A | 91 | Very high | 91.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.4 | -44.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L291 T296 S301 I302 L303 | L291-A299 HydrophobicContact CB-CB 3.9Å; L291-A299 HydrophobicContact CD2-CB 3.87Å; L291-A299 HydrophobicContact CG-CB 4.45Å; L291-A299 WeakPolarHBondContact O-CB 3.49Å; T296-A299 PolarHBondContact O-N 3.45Å; T296-A299 VanDerWaalsContact O-N 3.09Å; T296-A299 WeakPolarHBondContact OG1-CB 3.24Å; T296-A299 PolarHBondContact OG1-N 2.89Å; T296-A299 VanDerWaalsContact OG1-N 3.14Å; A299-S301 VanDerWaalsContact C-N 3.29Å; A299-S301 PolarHBondContact O-N 3.29Å; A299-I302 PolarHBondContact O-N 3.32Å; A299-L303 WeakPolarHBondContact O-CG 3.3Å; A299-L303 PolarHBondContact O-N 3.35Å |
| 300 | D | 90.7 | Very high | 91.8 | Very high | 57 Ų | 57 | 40 Ų | 40 | 31% | 0.305 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.7 | -37.4 | 175.6 | 179.4 | 56.6 | 0 | 0 | 0 | 112 | T296 I302 L303 K304 | T296-D300 WeakPolarHBondContact O-CB 3.19Å; T296-D300 PolarHBondContact O-N 3.48Å; D300-I302 PolarHBondContact O-N 3.34Å; D300-L303 PolarHBondContact O-N 3.31Å; D300-K304 WeakPolarHBondContact O-CB 3.5Å; D300-K304 VanDerWaalsContact O-CG 3.29Å; D300-K304 WeakPolarHBondContact O-CG 3.43Å; D300-K304 PolarHBondContact O-N 2.81Å; D300-K304 WeakPolarHBondContact OD1-CE 3.22Å; D300-K304 IonicContact OD1-NZ 3.52Å; D300-K304 WeakPolarHBondContact OD2-CE 3.42Å; D300-K304 IonicContact OD2-NZ 3.49Å; D300-K304 PolarHBondContact OD2-NZ 3.34Å |
| 301 | S | 89.6 | Confident | 91.8 | Very high | 40 Ų | 40 | 37.3 Ų | 37.3 | 28% | 0.28 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.7 | -41 | 175.5 | -64.5 | 0 | 0 | 0 | 0 | 112.5 | T242 P297 E298 A299 S305 | T242-S301 WeakPolarHBondContact CG2-O 3.46Å; P297-S301 WeakPolarHBondContact O-CB 3.33Å; P297-S301 PolarHBondContact O-N 3.13Å; P297-S301 PolarHBondContact O-OG 2.82Å; E298-S301 WeakPolarHBondContact O-CB 3.44Å; E298-S301 PolarHBondContact O-N 3.38Å; A299-S301 VanDerWaalsContact C-N 3.29Å; A299-S301 PolarHBondContact O-N 3.29Å; S301-S305 PolarHBondContact O-N 2.87Å; S301-S305 VanDerWaalsContact O-N 3.09Å; S301-S305 PolarHBondContact O-OG 2.97Å |
| 302 | I | 90.4 | Very high | 91.9 | Very high | 9 Ų | 9 | 37.3 Ų | 37.3 | 5% | 0.046 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.3 | -44.8 | 176.5 | -63 | 167.5 | 0 | 0 | 0 | 110.3 | F210 V238 L291 E298 A299 D300 K304 S305 I306 | F210-I302 HydrophobicContact CE1-CD1 4.19Å; V238-I302 HydrophobicContact CG1-CG1 4.4Å; V238-I302 HydrophobicContact CG2-CG1 4.28Å; L291-I302 HydrophobicContact CD1-CB 3.92Å; L291-I302 HydrophobicContact CD1-CD1 4.08Å; L291-I302 HydrophobicContact CD1-CG2 3.58Å; L291-I302 HydrophobicContact CD2-CD1 4.45Å; E298-I302 WeakPolarHBondContact O-CG1 3.43Å; E298-I302 PolarHBondContact O-N 3.13Å; A299-I302 PolarHBondContact O-N 3.32Å; D300-I302 PolarHBondContact O-N 3.34Å; I302-K304 VanDerWaalsContact C-N 3.35Å; I302-K304 PolarHBondContact O-N 3.08Å; I302-S305 VanDerWaalsContact O-CB 3.32Å; I302-S305 WeakPolarHBondContact O-CB 3.35Å; I302-S305 PolarHBondContact O-N 3.2Å; I302-I306 PolarHBondContact O-N 3.04Å; I302-I306 VanDerWaalsContact O-N 3.11Å |
| 303 | L | 93 | Very high | 92 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.1 | -41.2 | 177.2 | -72 | 173.5 | 0 | 0 | 0 | 112.5 | H288 L291 L292 A299 D300 S305 I306 S307 T367 | H288-L303 HydrophobicContact CB-CD2 4.45Å; L291-L303 HydrophobicContact CB-CD1 4.34Å; L291-L303 HydrophobicContact CB-CD2 4.44Å; L291-L303 HydrophobicContact CB-CG 4.27Å; L292-L303 HydrophobicContact CB-CD1 4.13Å; L292-L303 HydrophobicContact CD1-CD1 4.12Å; A299-L303 WeakPolarHBondContact O-CG 3.3Å; A299-L303 PolarHBondContact O-N 3.35Å; D300-L303 PolarHBondContact O-N 3.31Å; L303-S305 VanDerWaalsContact C-N 3.27Å; L303-S305 PolarHBondContact O-N 2.94Å; L303-I306 WeakPolarHBondContact O-CG2 3.35Å; L303-I306 PolarHBondContact O-N 3.49Å; L303-S307 PolarHBondContact O-N 2.9Å; L303-T367 HydrophobicContact CB-CG2 4.13Å; L303-T367 VanDerWaalsContact O-CG2 3.28Å; L303-T367 WeakPolarHBondContact O-CG2 3.27Å; L303-T367 PolarHBondContact O-OG1 3.39Å |
| 304 | K | 91.9 | Very high | 92.1 | Very high | 57 Ų | 57 | 29.9 Ų | 29.9 | 25% | 0.248 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.4 | -34.6 | 172.8 | -78.3 | 171.2 | 174.8 | 168.6 | 0 | 112.6 | T242 Q245 D300 I302 S307 V308 | T242-K304 HydrophobicContact CG2-CB 4.34Å; Q245-K304 HydrophobicContact CB-CB 4.36Å; Q245-K304 HydrophobicContact CG-CB 3.98Å; Q245-K304 HydrophobicContact CG-CD 4.43Å; Q245-K304 HydrophobicContact CG-CG 4.08Å; D300-K304 WeakPolarHBondContact O-CB 3.5Å; D300-K304 VanDerWaalsContact O-CG 3.29Å; D300-K304 WeakPolarHBondContact O-CG 3.43Å; D300-K304 PolarHBondContact O-N 2.81Å; D300-K304 WeakPolarHBondContact OD1-CE 3.22Å; D300-K304 IonicContact OD1-NZ 3.52Å; D300-K304 WeakPolarHBondContact OD2-CE 3.42Å; D300-K304 IonicContact OD2-NZ 3.49Å; D300-K304 PolarHBondContact OD2-NZ 3.34Å; I302-K304 VanDerWaalsContact C-N 3.35Å; I302-K304 PolarHBondContact O-N 3.08Å; K304-S307 WeakPolarHBondContact O-CB 3.5Å; K304-S307 PolarHBondContact O-N 3.04Å; K304-V308 WeakPolarHBondContact O-CG2 3.48Å; K304-V308 PolarHBondContact O-N 3.26Å |
| 305 | S | 91.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.9 | -44.2 | 178.2 | -57.6 | 0 | 0 | 0 | 0 | 111.8 | V238 S301 I302 L303 S307 V308 F309 | V238-S305 WeakPolarHBondContact CA-OG 3.43Å; V238-S305 PolarHBondContact O-OG 3.03Å; S301-S305 PolarHBondContact O-N 2.87Å; S301-S305 VanDerWaalsContact O-N 3.09Å; S301-S305 PolarHBondContact O-OG 2.97Å; I302-S305 VanDerWaalsContact O-CB 3.32Å; I302-S305 WeakPolarHBondContact O-CB 3.35Å; I302-S305 PolarHBondContact O-N 3.2Å; L303-S305 VanDerWaalsContact C-N 3.27Å; L303-S305 PolarHBondContact O-N 2.94Å; S305-S307 VanDerWaalsContact C-N 3.31Å; S305-V308 PolarHBondContact O-N 3.38Å; S305-F309 PolarHBondContact O-N 3.09Å |
| 306 | I | 92.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -69.1 | -31.1 | 174.7 | -164.3 | 167.7 | 0 | 0 | 0 | 111.8 | I302 L303 F309 F310 F343 T367 | I302-I306 PolarHBondContact O-N 3.04Å; I302-I306 VanDerWaalsContact O-N 3.11Å; L303-I306 WeakPolarHBondContact O-CG2 3.35Å; L303-I306 PolarHBondContact O-N 3.49Å; I306-F309 WeakPolarHBondContact O-CB 3.5Å; I306-F309 PolarHBondContact O-N 3.03Å; I306-F310 HydrophobicContact CD1-CD2 4.47Å; I306-F310 HydrophobicContact CD1-CE2 3.85Å; I306-F310 HydrophobicContact CG1-CD2 3.76Å; I306-F310 HydrophobicContact CG1-CE2 3.61Å; I306-F310 WeakPolarHBondContact O-CD2 3.38Å; I306-F310 PolarHBondContact O-N 3.37Å; I306-F343 HydrophobicContact CD1-CE1 3.71Å; I306-F343 HydrophobicContact CD1-CE2 4.45Å; I306-F343 HydrophobicContact CD1-CZ 3.56Å; I306-T367 HydrophobicContact CG2-CG2 4.39Å |
| 307 | S | 94.1 | Very high | 92.5 | Very high | 3 Ų | 3 | 24.1 Ų | 24.1 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.9 | -46.6 | 172.4 | -169.4 | 0 | 0 | 0 | 0 | 112.1 | L303 K304 S305 F309 F310 E311 V370 | L303-S307 PolarHBondContact O-N 2.9Å; K304-S307 WeakPolarHBondContact O-CB 3.5Å; K304-S307 PolarHBondContact O-N 3.04Å; S305-S307 VanDerWaalsContact C-N 3.31Å; S307-F309 VanDerWaalsContact C-N 3.29Å; S307-F309 PolarHBondContact O-N 3.3Å; S307-F310 PolarHBondContact O-N 2.92Å; S307-E311 WeakPolarHBondContact O-CB 3.36Å; S307-E311 PolarHBondContact O-N 3.13Å; S307-V370 WeakPolarHBondContact O-CG1 3.45Å; S307-V370 WeakPolarHBondContact OG-CG2 3.44Å |
| 308 | V | 94.7 | Very high | 92.6 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.006 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.8 | -39.8 | 177.7 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | L241 Q245 L248 L262 K304 S305 S312 | L241-V308 HydrophobicContact CD2-CB 4.17Å; L241-V308 HydrophobicContact CD2-CG1 3.75Å; Q245-V308 HydrophobicContact CB-CG2 3.45Å; Q245-V308 VanDerWaalsContact CB-CG2 3.45Å; Q245-V308 HydrophobicContact CG-CG2 4.05Å; L248-V308 HydrophobicContact CD1-CG1 4.28Å; L248-V308 HydrophobicContact CD1-CG2 4.12Å; L262-V308 HydrophobicContact CD1-CG1 4.08Å; K304-V308 WeakPolarHBondContact O-CG2 3.48Å; K304-V308 PolarHBondContact O-N 3.26Å; S305-V308 PolarHBondContact O-N 3.38Å; V308-S312 WeakPolarHBondContact O-CB 3.34Å; V308-S312 PolarHBondContact O-N 3.4Å; V308-S312 PolarHBondContact O-OG 3.15Å |
| 309 | F | 95.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 0% | 0.004 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -58.2 | -54 | 173.8 | 166.4 | -94.9 | 0 | 0 | 0 | 111.3 | L269 L272 W273 F276 S305 I306 S307 E311 S312 A313 F332 M340 | L269-F309 HydrophobicContact CB-CE2 4.1Å; L269-F309 HydrophobicContact CD2-CD2 4.28Å; L269-F309 WeakPolarHBondContact O-CE2 3.42Å; L272-F309 HydrophobicContact CB-CD2 3.98Å; L272-F309 HydrophobicContact CB-CE2 4.46Å; W273-F309 HydrophobicContact CB-CE2 3.98Å; W273-F309 HydrophobicContact CB-CZ 3.82Å; W273-F309 HydrophobicContact CD2-CE1 4.46Å; W273-F309 HydrophobicContact CD2-CZ 4.3Å; W273-F309 HydrophobicContact CE3-CD1 4.35Å; W273-F309 AromaticContact CE3-CE1 3.53Å; W273-F309 HydrophobicContact CE3-CE1 3.53Å; W273-F309 AromaticContact CE3-CZ 3.77Å; W273-F309 HydrophobicContact CE3-CZ 3.77Å; W273-F309 HydrophobicContact CG-CZ 4.37Å; W273-F309 HydrophobicContact CZ3-CE1 4.07Å; F276-F309 HydrophobicContact CD2-CB 4.44Å; F276-F309 HydrophobicContact CE2-CB 4.17Å; S305-F309 PolarHBondContact O-N 3.09Å; I306-F309 WeakPolarHBondContact O-CB 3.5Å; I306-F309 PolarHBondContact O-N 3.03Å; S307-F309 VanDerWaalsContact C-N 3.29Å; S307-F309 PolarHBondContact O-N 3.3Å; F309-E311 VanDerWaalsContact C-N 3.31Å; F309-E311 PolarHBondContact O-N 3.43Å; F309-S312 PolarHBondContact O-N 2.95Å; F309-A313 HydrophobicContact CZ-CB 4.37Å; F309-A313 WeakPolarHBondContact O-CB 3.46Å; F309-A313 PolarHBondContact O-N 3.03Å; F309-F332 HydrophobicContact CE2-CE1 4.33Å; F309-F332 HydrophobicContact CE2-CZ 4.33Å; F309-F332 HydrophobicContact CZ-CE1 4.34Å; F309-F332 HydrophobicContact CZ-CZ 4.31Å; F309-M340 HydrophobicContact CE1-CE 4.42Å; F309-M340 HydrophobicContact CE1-SD 4.37Å; F309-M340 HydrophobicContact CZ-CE 3.7Å; F309-M340 HydrophobicContact CZ-SD 4.08Å |
| 310 | F | 96.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -67.1 | -31.1 | -178 | -83.5 | -63.9 | 0 | 0 | 0 | 113.3 | W273 I306 S307 S314 M340 F343 C344 V370 L371 F374 | W273-F310 HydrophobicContact CH2-CZ 4.41Å; W273-F310 HydrophobicContact CZ3-CE1 4.46Å; W273-F310 HydrophobicContact CZ3-CE2 4.48Å; W273-F310 AromaticContact CZ3-CZ 3.79Å; W273-F310 HydrophobicContact CZ3-CZ 3.79Å; I306-F310 HydrophobicContact CD1-CD2 4.47Å; I306-F310 HydrophobicContact CD1-CE2 3.85Å; I306-F310 HydrophobicContact CG1-CD2 3.76Å; I306-F310 HydrophobicContact CG1-CE2 3.61Å; I306-F310 WeakPolarHBondContact O-CD2 3.38Å; I306-F310 PolarHBondContact O-N 3.37Å; S307-F310 PolarHBondContact O-N 2.92Å; F310-S314 VanDerWaalsContact O-CB 3.28Å; F310-S314 WeakPolarHBondContact O-CB 3.32Å; F310-S314 PolarHBondContact O-N 2.86Å; F310-S314 PolarHBondContact O-OG 2.83Å; F310-M340 HydrophobicContact CE1-CB 4.29Å; F310-M340 HydrophobicContact CE1-CG 4.45Å; F310-F343 AromaticContact CE2-CD1 3.96Å; F310-F343 HydrophobicContact CE2-CD1 3.96Å; F310-F343 AromaticContact CE2-CE1 3.9Å; F310-F343 HydrophobicContact CE2-CE1 3.9Å; F310-F343 AromaticContact CZ-CD1 3.8Å; F310-F343 HydrophobicContact CZ-CD1 3.8Å; F310-F343 HydrophobicContact CZ-CE1 4.23Å; F310-C344 WeakPolarHBondContact CE1-SG 3.28Å; F310-C344 WeakPolarHBondContact CZ-SG 3.33Å; F310-V370 HydrophobicContact CB-CG1 3.82Å; F310-L371 HydrophobicContact CB-CD1 4.48Å; F310-L371 HydrophobicContact CD2-CD1 3.63Å; F310-L371 HydrophobicContact CD2-CG 3.77Å; F310-L371 HydrophobicContact CE2-CD1 4.26Å; F310-L371 HydrophobicContact CE2-CD2 4.36Å; F310-L371 HydrophobicContact CE2-CG 4Å; F310-L371 HydrophobicContact CG-CD1 4.34Å; F310-L371 HydrophobicContact CG-CG 4.43Å; F310-F374 HydrophobicContact CB-CB 4.45Å; F310-F374 HydrophobicContact CD1-CB 3.98Å; F310-F374 AromaticContact CD1-CD1 3.68Å; F310-F374 HydrophobicContact CD1-CD1 3.68Å; F310-F374 AromaticContact CD1-CD2 3.68Å; F310-F374 HydrophobicContact CD1-CD2 3.68Å; F310-F374 HydrophobicContact CD1-CE1 4.06Å; F310-F374 HydrophobicContact CD1-CE2 4.01Å; F310-F374 AromaticContact CD1-CG 3.49Å; F310-F374 HydrophobicContact CD1-CG 3.49Å; F310-F374 VanDerWaalsContact CD1-CG 3.49Å; F310-F374 HydrophobicContact CD1-CZ 4.2Å; F310-F374 AromaticContact CE1-CD1 3.7Å; F310-F374 HydrophobicContact CE1-CD1 3.7Å; F310-F374 HydrophobicContact CE1-CD2 4.37Å; F310-F374 AromaticContact CE1-CE1 3.78Å; F310-F374 HydrophobicContact CE1-CE1 3.78Å; F310-F374 HydrophobicContact CE1-CE2 4.39Å; F310-F374 HydrophobicContact CE1-CG 4.02Å; F310-F374 HydrophobicContact CE1-CZ 4.13Å; F310-F374 HydrophobicContact CG-CG 4.44Å |
| 311 | E | 94.7 | Very high | 92.5 | Very high | 13 Ų | 13 | 13.5 Ų | 13.5 | 6% | 0.061 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -68.9 | -41.3 | 174.3 | -172.4 | 150.1 | -125.5 | 0 | 0 | 111.8 | K255 L259 S307 F309 S314 Y315 V370 K582 | K255-E311 WeakPolarHBondContact CE-OE1 3.46Å; K255-E311 IonicContact NZ-OE1 2.8Å; K255-E311 PolarHBondContact NZ-OE1 2.85Å; K255-E311 IonicContact NZ-OE2 3.18Å; K255-E311 PolarHBondContact NZ-OE2 3.17Å; L259-E311 HydrophobicContact CD1-CG 3.89Å; L259-E311 HydrophobicContact CD2-CB 4.46Å; L259-E311 HydrophobicContact CD2-CG 3.95Å; S307-E311 WeakPolarHBondContact O-CB 3.36Å; S307-E311 PolarHBondContact O-N 3.13Å; F309-E311 VanDerWaalsContact C-N 3.31Å; F309-E311 PolarHBondContact O-N 3.43Å; E311-S314 PolarHBondContact O-N 3.25Å; E311-Y315 PolarHBondContact O-N 3.42Å; E311-V370 HydrophobicContact CB-CG1 4.06Å; E311-K582 IonicContact OE1-NZ 3.41Å |
| 312 | S | 95.2 | Very high | 92.3 | Very high | 2 Ų | 2 | 12.9 Ų | 12.9 | 1% | 0.014 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -66 | -44 | 174.2 | -53.6 | 0 | 0 | 0 | 0 | 111.6 | C263 V308 F309 S314 Y315 L316 | C263-S312 PolarHBondContact SG-O 2.92Å; C263-S312 VanDerWaalsContact SG-O 3.4Å; V308-S312 WeakPolarHBondContact O-CB 3.34Å; V308-S312 PolarHBondContact O-N 3.4Å; V308-S312 PolarHBondContact O-OG 3.15Å; F309-S312 PolarHBondContact O-N 2.95Å; S312-S314 VanDerWaalsContact C-N 3.34Å; S312-S314 PolarHBondContact O-N 2.85Å; S312-Y315 WeakPolarHBondContact O-CB 3.3Å; S312-Y315 PolarHBondContact O-N 3.24Å; S312-L316 PolarHBondContact O-N 3.39Å |
| 313 | A | 95.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.3 | -41.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F309 Y315 L316 I317 F332 F374 | F309-A313 HydrophobicContact CZ-CB 4.37Å; F309-A313 WeakPolarHBondContact O-CB 3.46Å; F309-A313 PolarHBondContact O-N 3.03Å; A313-Y315 VanDerWaalsContact C-N 3.35Å; A313-Y315 PolarHBondContact O-N 3.4Å; A313-L316 PolarHBondContact O-N 2.97Å; A313-I317 WeakPolarHBondContact O-CB 3.4Å; A313-I317 VanDerWaalsContact O-CG1 3.25Å; A313-I317 WeakPolarHBondContact O-CG1 3.38Å; A313-I317 PolarHBondContact O-N 3.28Å; A313-F332 HydrophobicContact CB-CE2 3.93Å; A313-F332 HydrophobicContact CB-CZ 3.93Å; A313-F374 HydrophobicContact CB-CD2 4.35Å; A313-F374 HydrophobicContact CB-CE2 3.86Å |
| 314 | S | 95 | Very high | 92.1 | Very high | 5 Ų | 5 | 20.6 Ų | 20.6 | 4% | 0.035 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.5 | -44 | 175.6 | -61.4 | 0 | 0 | 0 | 0 | 111.8 | F310 E311 S312 T318 F374 | F310-S314 VanDerWaalsContact O-CB 3.28Å; F310-S314 WeakPolarHBondContact O-CB 3.32Å; F310-S314 PolarHBondContact O-N 2.86Å; F310-S314 PolarHBondContact O-OG 2.83Å; E311-S314 PolarHBondContact O-N 3.25Å; S312-S314 VanDerWaalsContact C-N 3.34Å; S312-S314 PolarHBondContact O-N 2.85Å; S314-T318 WeakPolarHBondContact O-CB 3.48Å; S314-T318 PolarHBondContact O-N 3.28Å; S314-T318 PolarHBondContact O-OG1 3.43Å; S314-F374 WeakPolarHBondContact OG-CD2 3.42Å |
| 315 | Y | 92.5 | Very high | 92 | Very high | 54 Ų | 54 | 17.9 Ų | 17.9 | 21% | 0.212 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -58.5 | -50.3 | 176.6 | 173.8 | -97.9 | 0 | 0 | 0 | 111.4 | Y256 L259 A260 C263 E311 S312 A313 T318 I319 | Y256-Y315 AromaticContact CD1-CD2 3.86Å; Y256-Y315 HydrophobicContact CD1-CD2 3.86Å; Y256-Y315 AromaticContact CD1-CE2 3.99Å; Y256-Y315 HydrophobicContact CD1-CE2 3.99Å; L259-Y315 HydrophobicContact CB-CD1 4.13Å; L259-Y315 HydrophobicContact CB-CD2 4.19Å; L259-Y315 HydrophobicContact CB-CG 3.88Å; L259-Y315 HydrophobicContact CD1-CD2 4.46Å; L259-Y315 HydrophobicContact CD1-CG 4.46Å; A260-Y315 HydrophobicContact CB-CE1 3.96Å; A260-Y315 WeakPolarHBondContact CB-OH 3.28Å; C263-Y315 HydrophobicContact CB-CD1 4.36Å; E311-Y315 PolarHBondContact O-N 3.42Å; S312-Y315 WeakPolarHBondContact O-CB 3.3Å; S312-Y315 PolarHBondContact O-N 3.24Å; A313-Y315 VanDerWaalsContact C-N 3.35Å; A313-Y315 PolarHBondContact O-N 3.4Å; Y315-T318 PolarHBondContact O-N 3Å; Y315-I319 HydrophobicContact CD1-CD1 4.08Å; Y315-I319 HydrophobicContact CD2-CD1 4.05Å; Y315-I319 HydrophobicContact CE1-CD1 3.51Å; Y315-I319 HydrophobicContact CE2-CD1 3.5Å; Y315-I319 HydrophobicContact CG-CD1 4.32Å; Y315-I319 PolarHBondContact O-N 3.06Å; Y315-I319 WeakPolarHBondContact OH-CD1 3.36Å |
| 316 | L | 91.3 | Very high | 92 | Very high | 34 Ų | 34 | 18.7 Ų | 18.7 | 18% | 0.178 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -67.5 | -42.4 | -177.6 | -171.3 | 50 | 0 | 0 | 0 | 112.4 | C263 L269 S312 A313 T318 I319 A320 P331 | C263-L316 HydrophobicContact CB-CD2 4.27Å; L269-L316 HydrophobicContact CD1-CD2 4.15Å; S312-L316 PolarHBondContact O-N 3.39Å; A313-L316 PolarHBondContact O-N 2.97Å; L316-T318 VanDerWaalsContact C-N 3.26Å; L316-T318 PolarHBondContact O-N 3.22Å; L316-I319 PolarHBondContact O-N 2.89Å; L316-A320 WeakPolarHBondContact O-CB 3.35Å; L316-A320 PolarHBondContact O-N 2.94Å; L316-P331 HydrophobicContact CD2-CB 3.98Å; L316-P331 HydrophobicContact CD2-CG 3.42Å; L316-P331 VanDerWaalsContact CD2-CG 3.42Å; L316-P331 HydrophobicContact CG-CG 4Å |
| 317 | I | 92.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.5 | -29.7 | 176.2 | -68.5 | 171.3 | 0 | 0 | 0 | 111.8 | A313 I319 L325 F332 L337 F374 L377 R381 | A313-I317 WeakPolarHBondContact O-CB 3.4Å; A313-I317 VanDerWaalsContact O-CG1 3.25Å; A313-I317 WeakPolarHBondContact O-CG1 3.38Å; A313-I317 PolarHBondContact O-N 3.28Å; I317-I319 VanDerWaalsContact C-N 3.31Å; I317-L325 HydrophobicContact CG1-CD1 4.49Å; I317-L325 HydrophobicContact CG2-CD2 4.39Å; I317-F332 HydrophobicContact CD1-CD2 4.38Å; I317-F332 HydrophobicContact CD1-CE2 4.38Å; I317-F332 HydrophobicContact CG1-CD2 4.45Å; I317-F332 HydrophobicContact CG1-CE2 4.45Å; I317-L337 HydrophobicContact CD1-CD2 3.86Å; I317-F374 HydrophobicContact CD1-CE2 3.53Å; I317-F374 HydrophobicContact CD1-CZ 3.94Å; I317-L377 HydrophobicContact CB-CD2 4.04Å; I317-L377 HydrophobicContact CG2-CD1 4.41Å; I317-L377 HydrophobicContact CG2-CD2 3.86Å; I317-L377 HydrophobicContact CG2-CG 4.05Å; I317-R381 HydrophobicContact CG2-CG 4.41Å; I317-R381 PolarHBondContact O-NH2 3.32Å |
| 318 | T | 90.5 | Very high | 91.8 | Very high | 20 Ų | 20 | 25.7 Ų | 25.7 | 12% | 0.123 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -71.6 | -29.4 | 177 | -57.6 | 0 | 0 | 0 | 0 | 111.7 | S314 Y315 L316 S585 | S314-T318 WeakPolarHBondContact O-CB 3.48Å; S314-T318 PolarHBondContact O-N 3.28Å; S314-T318 PolarHBondContact O-OG1 3.43Å; Y315-T318 PolarHBondContact O-N 3Å; L316-T318 VanDerWaalsContact C-N 3.26Å; L316-T318 PolarHBondContact O-N 3.22Å; T318-S585 WeakPolarHBondContact O-CB 3.27Å; T318-S585 PolarHBondContact O-OG 3.14Å |
| 319 | I | 88.4 | Confident | 91.8 | Very high | 30 Ų | 30 | 29.7 Ų | 29.7 | 15% | 0.154 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -91.1 | -32.1 | -178.7 | -68 | 168.5 | 0 | 0 | 0 | 112.4 | Y315 L316 I317 K605 I648 | Y315-I319 HydrophobicContact CD1-CD1 4.08Å; Y315-I319 HydrophobicContact CD2-CD1 4.05Å; Y315-I319 HydrophobicContact CE1-CD1 3.51Å; Y315-I319 HydrophobicContact CE2-CD1 3.5Å; Y315-I319 HydrophobicContact CG-CD1 4.32Å; Y315-I319 PolarHBondContact O-N 3.06Å; Y315-I319 WeakPolarHBondContact OH-CD1 3.36Å; L316-I319 PolarHBondContact O-N 2.89Å; I317-I319 VanDerWaalsContact C-N 3.31Å; I319-K605 PolarHBondContact O-NZ 3.24Å; I319-K605 VanDerWaalsContact O-NZ 3.1Å; I319-I648 HydrophobicContact CG2-CG2 3.48Å; I319-I648 VanDerWaalsContact CG2-CG2 3.48Å |
| 320 | A | 89.4 | Confident | 91.5 | Very high | 5 Ų | 5 | 35.5 Ų | 35.5 | 4% | 0.041 | 17% | 0.17 | C | C | . | . | trans | -61.3 | 142.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L316 E324 R381 | L316-A320 WeakPolarHBondContact O-CB 3.35Å; L316-A320 PolarHBondContact O-N 2.94Å; A320-E324 VanDerWaalsContact CA-OE2 3.25Å; A320-E324 WeakPolarHBondContact CA-OE2 3.28Å; A320-R381 PolarHBondContact O-NH2 2.82Å | ||
| 321 | D | 87.2 | Confident | 91.2 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | trans | -93.1 | 173.5 | 168.9 | 60.4 | 53.5 | 0 | 0 | 0 | 111.2 | Y323 E324 L325 K605 H606 | D321-Y323 PolarHBondContact O-N 3.35Å; D321-Y323 WeakPolarHBondContact OD1-CA 3.48Å; D321-Y323 WeakPolarHBondContact OD1-CB 3.29Å; D321-Y323 PolarHBondContact OD1-N 2.83Å; D321-E324 PolarHBondContact N-OE2 3.39Å; D321-E324 PolarHBondContact O-N 3.33Å; D321-E324 PolarHBondContact OD1-N 3.09Å; D321-L325 WeakPolarHBondContact O-CB 3.36Å; D321-L325 PolarHBondContact O-N 2.86Å; D321-K605 VanDerWaalsContact N-NZ 3.16Å; D321-K605 IonicContact OD2-NZ 3.11Å; D321-K605 PolarHBondContact OD2-NZ 2.89Å; D321-H606 IonicContact OD2-CE1 3.91Å; D321-H606 PolarHBondContact OD2-CE1 3.42Å; D321-H606 IonicContact OD2-NE2 3Å | ||
| 322 | D | 87.1 | Confident | 91.2 | Very high | 26 Ų | 26 | 36 Ų | 36 | 14% | 0.139 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.9 | -25.7 | -177.6 | -75.3 | -4.1 | 0 | 0 | 0 | 114 | F326 R381 R384 R385 | D322-F326 HydrophobicContact CB-CD2 3.92Å; D322-F326 HydrophobicContact CB-CE2 4.3Å; D322-F326 WeakPolarHBondContact O-CB 3.17Å; D322-F326 WeakPolarHBondContact O-CD2 3.3Å; D322-F326 PolarHBondContact O-N 3.42Å; D322-F326 VanDerWaalsContact O-N 3.1Å; D322-F326 WeakPolarHBondContact OD1-CE2 3.4Å; D322-R381 IonicContact OD1-NH1 2.71Å; D322-R381 PolarHBondContact OD1-NH1 2.74Å; D322-R384 VanDerWaalsContact CG-NH2 3.25Å; D322-R384 IonicContact OD1-CZ 3.47Å; D322-R384 IonicContact OD1-NH1 2.92Å; D322-R384 IonicContact OD1-NH2 2.92Å; D322-R384 PolarHBondContact OD1-NH2 3.36Å; D322-R384 IonicContact OD2-CZ 3.81Å; D322-R384 VanDerWaalsContact OD2-CZ 3.23Å; D322-R384 IonicContact OD2-NH1 2.92Å; D322-R384 PolarHBondContact OD2-NH1 3.03Å; D322-R384 IonicContact OD2-NH2 3.13Å; D322-R384 PolarHBondContact OD2-NH2 3.1Å; D322-R384 VanDerWaalsContact OD2-NH2 3.13Å; D322-R385 PolarHBondContact O-NH1 3.42Å |
| 323 | Y | 87 | Confident | 91.2 | Very high | 129 Ų | 129 | 37.5 Ų | 37.5 | 51% | 0.506 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -69.6 | -49.1 | 176.7 | 178.8 | -107.9 | 0 | 0 | 0 | 109 | D321 T327 I328 | D321-Y323 PolarHBondContact O-N 3.35Å; D321-Y323 WeakPolarHBondContact OD1-CA 3.48Å; D321-Y323 WeakPolarHBondContact OD1-CB 3.29Å; D321-Y323 PolarHBondContact OD1-N 2.83Å; Y323-T327 HydrophobicContact CD2-CG2 3.95Å; Y323-T327 HydrophobicContact CE2-CG2 3.69Å; Y323-T327 CarbonylContact O-C 3.13Å; Y323-T327 WeakPolarHBondContact O-CA 3.47Å; Y323-T327 WeakPolarHBondContact O-CB 3.11Å; Y323-T327 PolarHBondContact O-N 2.97Å; Y323-T327 PolarHBondContact O-OG1 3.45Å; Y323-I328 HydrophobicContact CD1-CD1 3.74Å; Y323-I328 HydrophobicContact CD1-CG1 3.96Å; Y323-I328 HydrophobicContact CE1-CD1 3.48Å; Y323-I328 VanDerWaalsContact CE1-CD1 3.48Å; Y323-I328 HydrophobicContact CE1-CG1 3.65Å; Y323-I328 PolarHBondContact O-N 2.75Å |
| 324 | E | 90.5 | Very high | 91.2 | Very high | 48 Ų | 48 | 39 Ų | 39 | 22% | 0.224 | 19% | 0.193 | C | C | . | . | I | π-helix | trans | -59.3 | -48.6 | 175 | -67.5 | 171.6 | 133.8 | 0 | 0 | 112.5 | A320 D321 I328 E329 K330 K605 H606 | A320-E324 VanDerWaalsContact CA-OE2 3.25Å; A320-E324 WeakPolarHBondContact CA-OE2 3.28Å; D321-E324 PolarHBondContact N-OE2 3.39Å; D321-E324 PolarHBondContact O-N 3.33Å; D321-E324 PolarHBondContact OD1-N 3.09Å; E324-I328 HydrophobicContact CG-CD1 4.24Å; E324-I328 CarbonylContact O-C 3.53Å; E324-E329 PolarHBondContact O-N 3.3Å; E324-K330 PolarHBondContact O-N 3.08Å; E324-K605 IonicContact OE1-NZ 2.83Å; E324-K605 WeakPolarHBondContact OE2-CE 2.98Å; E324-K605 IonicContact OE2-NZ 3.41Å; E324-K605 PolarHBondContact OE2-NZ 3.13Å; E324-H606 IonicContact OE1-NE2 3.26Å |
| 325 | L | 91.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -73.6 | -40.2 | -170.7 | -169.1 | 64.4 | 0 | 0 | 0 | 113.4 | I317 D321 L337 | I317-L325 HydrophobicContact CG1-CD1 4.49Å; I317-L325 HydrophobicContact CG2-CD2 4.39Å; D321-L325 WeakPolarHBondContact O-CB 3.36Å; D321-L325 PolarHBondContact O-N 2.86Å; L325-L337 HydrophobicContact CD1-CD1 3.49Å; L325-L337 VanDerWaalsContact CD1-CD1 3.49Å; L325-L337 HydrophobicContact CD1-CD2 4.17Å; L325-L337 HydrophobicContact CD1-CG 4.41Å; L325-L337 HydrophobicContact CD2-CD1 4.2Å; L325-L337 HydrophobicContact CG-CD1 3.69Å |
| 326 | F | 91.4 | Very high | 91.2 | Very high | 17 Ų | 17 | 40.6 Ų | 40.6 | 8% | 0.075 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -113.3 | -14.2 | -170.2 | -55.8 | -62.4 | 0 | 0 | 0 | 114.4 | D322 V334 R381 R385 F387 | D322-F326 HydrophobicContact CB-CD2 3.92Å; D322-F326 HydrophobicContact CB-CE2 4.3Å; D322-F326 WeakPolarHBondContact O-CB 3.17Å; D322-F326 WeakPolarHBondContact O-CD2 3.3Å; D322-F326 PolarHBondContact O-N 3.42Å; D322-F326 VanDerWaalsContact O-N 3.1Å; D322-F326 WeakPolarHBondContact OD1-CE2 3.4Å; F326-V334 HydrophobicContact CD1-CG2 4.29Å; F326-R381 HydrophobicContact CZ-CB 4.46Å; F326-R385 VanDerWaalsContact CB-CZ 3.46Å; F326-R385 HydrophobicContact CD2-CG 4.47Å; F326-R385 HydrophobicContact CE2-CB 4.31Å; F326-R385 HydrophobicContact CE2-CG 4.49Å; F326-F387 HydrophobicContact CD1-CB 4.21Å; F326-F387 HydrophobicContact CD1-CD1 4.29Å; F326-F387 HydrophobicContact CD1-CG 4.35Å; F326-F387 HydrophobicContact CE1-CB 4.02Å; F326-F387 AromaticContact CE1-CD1 3.3Å; F326-F387 HydrophobicContact CE1-CD1 3.3Å; F326-F387 AromaticContact CE1-CE1 3.86Å; F326-F387 HydrophobicContact CE1-CE1 3.86Å; F326-F387 AromaticContact CE1-CG 3.72Å; F326-F387 HydrophobicContact CE1-CG 3.72Å; F326-F387 AromaticContact CZ-CD1 3.74Å; F326-F387 HydrophobicContact CZ-CD1 3.74Å; F326-F387 HydrophobicContact CZ-CE1 4.09Å |
| 327 | T | 90.7 | Very high | 91.4 | Very high | 79 Ų | 79 | 39 Ų | 39 | 49% | 0.485 | 20% | 0.204 | S | C | . | . | I | π-helix | trans | -111 | -48.9 | -179.4 | -41.8 | 0 | 0 | 0 | 0 | 110.9 | Y323 E329 | Y323-T327 HydrophobicContact CD2-CG2 3.95Å; Y323-T327 HydrophobicContact CE2-CG2 3.69Å; Y323-T327 CarbonylContact O-C 3.13Å; Y323-T327 WeakPolarHBondContact O-CA 3.47Å; Y323-T327 WeakPolarHBondContact O-CB 3.11Å; Y323-T327 PolarHBondContact O-N 2.97Å; Y323-T327 PolarHBondContact O-OG1 3.45Å; T327-E329 VanDerWaalsContact C-N 3.34Å |
| 328 | I | 92.1 | Very high | 91.6 | Very high | 72 Ų | 72 | 40.4 Ų | 40.4 | 37% | 0.369 | 21% | 0.213 | S | C | . | . | I | π-helix | trans | -77.6 | -26.5 | 172.4 | -50.5 | -178.5 | 0 | 0 | 0 | 110.7 | Y323 E324 K330 | Y323-I328 HydrophobicContact CD1-CD1 3.74Å; Y323-I328 HydrophobicContact CD1-CG1 3.96Å; Y323-I328 HydrophobicContact CE1-CD1 3.48Å; Y323-I328 VanDerWaalsContact CE1-CD1 3.48Å; Y323-I328 HydrophobicContact CE1-CG1 3.65Å; Y323-I328 PolarHBondContact O-N 2.75Å; E324-I328 HydrophobicContact CG-CD1 4.24Å; E324-I328 CarbonylContact O-C 3.53Å; I328-K330 HydrophobicContact CG2-CB 4.19Å; I328-K330 HydrophobicContact CG2-CD 3.79Å; I328-K330 HydrophobicContact CG2-CG 3.89Å |
| 329 | E | 93.5 | Very high | 91.8 | Very high | 86 Ų | 86 | 42.6 Ų | 42.6 | 40% | 0.402 | 22% | 0.222 | S | C | . | . | trans | 59.4 | 48 | -175.4 | -67.5 | -160.3 | -149.9 | 0 | 0 | 112.5 | E324 T327 F332 S333 V334 | E324-E329 PolarHBondContact O-N 3.3Å; T327-E329 VanDerWaalsContact C-N 3.34Å; E329-F332 CarbonylContact C-O 3.5Å; E329-F332 VanDerWaalsContact C-O 3.24Å; E329-F332 CarbonylContact O-C 3.56Å; E329-S333 VanDerWaalsContact OE2-CA 3.25Å; E329-S333 WeakPolarHBondContact OE2-CA 3.2Å; E329-S333 VanDerWaalsContact OE2-CB 3.24Å; E329-S333 WeakPolarHBondContact OE2-CB 3.28Å; E329-V334 HydrophobicContact CG-CG2 4.04Å; E329-V334 PolarHBondContact OE2-N 3.47Å | ||
| 330 | K | 90.3 | Very high | 92.2 | Very high | 123 Ų | 123 | 41.1 Ų | 41.1 | 54% | 0.535 | 21% | 0.214 | S | C | . | . | trans | -125.4 | 142.9 | 177.1 | -77.3 | -175.1 | -176.3 | -179.6 | 0 | 112.5 | E324 I328 F332 | E324-K330 PolarHBondContact O-N 3.08Å; I328-K330 HydrophobicContact CG2-CB 4.19Å; I328-K330 HydrophobicContact CG2-CD 3.79Å; I328-K330 HydrophobicContact CG2-CG 3.89Å; K330-F332 VanDerWaalsContact C-N 3.31Å | ||
| 331 | P | 90.3 | Very high | 92.6 | Very high | 22 Ų | 22 | 40.9 Ų | 40.9 | 14% | 0.143 | 21% | 0.212 | C | C | . | . | S | Bend | cis | -75.7 | -16.3 | -3.9 | 37.9 | -44.2 | 0 | 0 | 0 | 113.1 | P270 L316 | P270-P331 HydrophobicContact CG-CB 4.26Å; P270-P331 WeakPolarHBondContact CG-O 3.13Å; L316-P331 HydrophobicContact CD2-CB 3.98Å; L316-P331 HydrophobicContact CD2-CG 3.42Å; L316-P331 VanDerWaalsContact CD2-CG 3.42Å; L316-P331 HydrophobicContact CG-CG 4Å |
| 332 | F | 94.2 | Very high | 93 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -108.9 | 143.5 | -173.9 | -55.5 | -63.4 | 0 | 0 | 0 | 110.4 | L269 P270 F309 A313 I317 E329 K330 Q336 L337 M340 | L269-F332 HydrophobicContact CB-CE1 3.77Å; L269-F332 HydrophobicContact CB-CZ 3.63Å; L269-F332 HydrophobicContact CD1-CZ 4.05Å; P270-F332 HydrophobicContact CB-CD1 4.38Å; P270-F332 HydrophobicContact CG-CD1 3.93Å; P270-F332 HydrophobicContact CG-CE1 4.03Å; F309-F332 HydrophobicContact CE2-CE1 4.33Å; F309-F332 HydrophobicContact CE2-CZ 4.33Å; F309-F332 HydrophobicContact CZ-CE1 4.34Å; F309-F332 HydrophobicContact CZ-CZ 4.31Å; A313-F332 HydrophobicContact CB-CE2 3.93Å; A313-F332 HydrophobicContact CB-CZ 3.93Å; I317-F332 HydrophobicContact CD1-CD2 4.38Å; I317-F332 HydrophobicContact CD1-CE2 4.38Å; I317-F332 HydrophobicContact CG1-CD2 4.45Å; I317-F332 HydrophobicContact CG1-CE2 4.45Å; E329-F332 CarbonylContact C-O 3.5Å; E329-F332 VanDerWaalsContact C-O 3.24Å; E329-F332 CarbonylContact O-C 3.56Å; K330-F332 VanDerWaalsContact C-N 3.31Å; F332-Q336 HydrophobicContact CB-CB 4.24Å; F332-L337 HydrophobicContact CB-CD2 3.82Å; F332-L337 HydrophobicContact CB-CG 3.96Å; F332-L337 HydrophobicContact CD2-CD2 3.91Å; F332-L337 HydrophobicContact CG-CD2 4.22Å; F332-M340 HydrophobicContact CD1-CE 3.57Å; F332-M340 HydrophobicContact CE1-CE 3.65Å; F332-M340 HydrophobicContact CG-CE 4.05Å; F332-M340 HydrophobicContact CZ-CE 4.21Å |
| 333 | S | 94.1 | Very high | 93.5 | Very high | 34 Ų | 34 | 42 Ų | 42 | 24% | 0.238 | 22% | 0.218 | C | C | . | . | trans | -69.4 | 157.4 | 168 | 69.1 | 0 | 0 | 0 | 0 | 111.7 | E329 A335 Q336 L337 | E329-S333 VanDerWaalsContact OE2-CA 3.25Å; E329-S333 WeakPolarHBondContact OE2-CA 3.2Å; E329-S333 VanDerWaalsContact OE2-CB 3.24Å; E329-S333 WeakPolarHBondContact OE2-CB 3.28Å; S333-A335 PolarHBondContact O-N 3.02Å; S333-Q336 VanDerWaalsContact N-OE1 3.11Å; S333-Q336 WeakPolarHBondContact O-CB 3.34Å; S333-Q336 PolarHBondContact O-N 2.85Å; S333-Q336 WeakPolarHBondContact OG-CG 3.4Å; S333-Q336 PolarHBondContact OG-N 3.07Å; S333-Q336 VanDerWaalsContact OG-N 3.15Å; S333-L337 WeakPolarHBondContact O-CG 2.98Å; S333-L337 PolarHBondContact O-N 3.45Å | ||
| 334 | V | 95.1 | Very high | 94 | Very high | 31 Ų | 31 | 35.8 Ų | 35.8 | 19% | 0.188 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.9 | -34.6 | 174.8 | 175.1 | 0 | 0 | 0 | 0 | 111 | F326 E329 L337 T338 F387 | F326-V334 HydrophobicContact CD1-CG2 4.29Å; E329-V334 HydrophobicContact CG-CG2 4.04Å; E329-V334 PolarHBondContact OE2-N 3.47Å; V334-L337 PolarHBondContact O-N 2.98Å; V334-T338 WeakPolarHBondContact O-CB 3.37Å; V334-T338 PolarHBondContact O-N 3.49Å; V334-T338 PolarHBondContact O-OG1 3.45Å; V334-F387 HydrophobicContact CG1-CB 3.92Å; V334-F387 HydrophobicContact CG1-CD2 3.96Å; V334-F387 HydrophobicContact CG1-CG 4.35Å |
| 335 | A | 93.7 | Very high | 94.3 | Very high | 60 Ų | 60 | 33.6 Ų | 33.6 | 50% | 0.496 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.9 | -47.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S333 L337 T338 E339 | S333-A335 PolarHBondContact O-N 3.02Å; A335-L337 PolarHBondContact O-N 3.15Å; A335-T338 WeakPolarHBondContact O-CB 3.3Å; A335-T338 PolarHBondContact O-N 3.36Å; A335-E339 WeakPolarHBondContact O-CG 3.25Å; A335-E339 PolarHBondContact O-N 3.09Å |
| 336 | Q | 94.5 | Very high | 94.6 | Very high | 34 Ų | 34 | 34.5 Ų | 34.5 | 16% | 0.159 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.6 | -42.5 | 176.6 | -76.1 | 175.9 | -29.7 | 0 | 0 | 112 | F332 S333 T338 E339 M340 | F332-Q336 HydrophobicContact CB-CB 4.24Å; S333-Q336 VanDerWaalsContact N-OE1 3.11Å; S333-Q336 WeakPolarHBondContact O-CB 3.34Å; S333-Q336 PolarHBondContact O-N 2.85Å; S333-Q336 WeakPolarHBondContact OG-CG 3.4Å; S333-Q336 PolarHBondContact OG-N 3.07Å; S333-Q336 VanDerWaalsContact OG-N 3.15Å; Q336-T338 VanDerWaalsContact C-N 3.28Å; Q336-T338 PolarHBondContact O-N 2.78Å; Q336-E339 PolarHBondContact O-N 3.08Å; Q336-M340 HydrophobicContact CB-CE 4.21Å; Q336-M340 VanDerWaalsContact O-CG 3.25Å; Q336-M340 WeakPolarHBondContact O-CG 3.46Å; Q336-M340 PolarHBondContact O-N 3.49Å |
| 337 | L | 95.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.2 | -40.6 | 175.1 | -66.4 | 173.3 | 0 | 0 | 0 | 111.7 | I317 L325 F332 S333 V334 A335 M340 A341 I378 F387 | I317-L337 HydrophobicContact CD1-CD2 3.86Å; L325-L337 HydrophobicContact CD1-CD1 3.49Å; L325-L337 VanDerWaalsContact CD1-CD1 3.49Å; L325-L337 HydrophobicContact CD1-CD2 4.17Å; L325-L337 HydrophobicContact CD1-CG 4.41Å; L325-L337 HydrophobicContact CD2-CD1 4.2Å; L325-L337 HydrophobicContact CG-CD1 3.69Å; F332-L337 HydrophobicContact CB-CD2 3.82Å; F332-L337 HydrophobicContact CB-CG 3.96Å; F332-L337 HydrophobicContact CD2-CD2 3.91Å; F332-L337 HydrophobicContact CG-CD2 4.22Å; S333-L337 WeakPolarHBondContact O-CG 2.98Å; S333-L337 PolarHBondContact O-N 3.45Å; V334-L337 PolarHBondContact O-N 2.98Å; A335-L337 PolarHBondContact O-N 3.15Å; L337-M340 PolarHBondContact O-N 3.34Å; L337-A341 VanDerWaalsContact O-CB 3.3Å; L337-A341 WeakPolarHBondContact O-CB 3.49Å; L337-A341 PolarHBondContact O-N 2.87Å; L337-I378 HydrophobicContact CB-CD1 4.43Å; L337-I378 HydrophobicContact CD2-CD1 4.23Å; L337-F387 HydrophobicContact CB-CE2 4.03Å |
| 338 | T | 96.1 | Very high | 95.2 | Very high | 29 Ų | 29 | 30 Ų | 30 | 18% | 0.178 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.6 | -42.6 | 176.6 | -56.2 | 0 | 0 | 0 | 0 | 111.2 | V334 A335 Q336 A341 L342 T388 F392 | V334-T338 WeakPolarHBondContact O-CB 3.37Å; V334-T338 PolarHBondContact O-N 3.49Å; V334-T338 PolarHBondContact O-OG1 3.45Å; A335-T338 WeakPolarHBondContact O-CB 3.3Å; A335-T338 PolarHBondContact O-N 3.36Å; Q336-T338 VanDerWaalsContact C-N 3.28Å; Q336-T338 PolarHBondContact O-N 2.78Å; T338-A341 PolarHBondContact O-N 3.45Å; T338-L342 WeakPolarHBondContact O-CB 3.48Å; T338-L342 PolarHBondContact O-N 2.96Å; T338-T388 HydrophobicContact CG2-CG2 4.32Å; T338-F392 HydrophobicContact CG2-CD2 4.22Å; T338-F392 HydrophobicContact CG2-CE2 3.49Å; T338-F392 VanDerWaalsContact CG2-CE2 3.49Å; T338-F392 HydrophobicContact CG2-CZ 3.79Å; T338-F392 WeakPolarHBondContact O-CZ 3.5Å |
| 339 | E | 95.8 | Very high | 95.4 | Very high | 66 Ų | 66 | 27 Ų | 27 | 31% | 0.308 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -62.8 | -43.6 | 174.8 | -70.7 | 172.1 | 178.2 | 0 | 0 | 112.2 | W273 V281 A335 Q336 L342 F343 | W273-E339 HydrophobicContact CZ2-CB 3.9Å; W273-E339 PolarHBondContact NE1-OE2 3.33Å; W273-E339 VanDerWaalsContact NE1-OE2 3.12Å; V281-E339 HydrophobicContact CG2-CB 3.97Å; V281-E339 HydrophobicContact CG2-CG 4.14Å; A335-E339 WeakPolarHBondContact O-CG 3.25Å; A335-E339 PolarHBondContact O-N 3.09Å; Q336-E339 PolarHBondContact O-N 3.08Å; E339-L342 PolarHBondContact O-N 3.34Å; E339-F343 WeakPolarHBondContact O-CB 3.41Å; E339-F343 PolarHBondContact O-N 3.47Å |
| 340 | M | 96.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.8 | -43.4 | 176.3 | -69.9 | 173.8 | -160.9 | 0 | 0 | 111.7 | W273 F309 F310 F332 Q336 L337 F343 C344 F374 | W273-M340 HydrophobicContact CB-CE 3.83Å; W273-M340 HydrophobicContact CD2-CE 3.6Å; W273-M340 HydrophobicContact CD2-CG 3.79Å; W273-M340 HydrophobicContact CE3-CE 4.11Å; W273-M340 HydrophobicContact CE3-CG 3.83Å; W273-M340 HydrophobicContact CG-CE 3.44Å; W273-M340 VanDerWaalsContact CG-CE 3.44Å; W273-M340 HydrophobicContact CH2-CB 4.19Å; W273-M340 HydrophobicContact CH2-CG 3.65Å; W273-M340 HydrophobicContact CZ2-CB 4.31Å; W273-M340 HydrophobicContact CZ2-CG 3.6Å; W273-M340 HydrophobicContact CZ3-CG 3.77Å; F309-M340 HydrophobicContact CE1-CE 4.42Å; F309-M340 HydrophobicContact CE1-SD 4.37Å; F309-M340 HydrophobicContact CZ-CE 3.7Å; F309-M340 HydrophobicContact CZ-SD 4.08Å; F310-M340 HydrophobicContact CE1-CB 4.29Å; F310-M340 HydrophobicContact CE1-CG 4.45Å; F332-M340 HydrophobicContact CD1-CE 3.57Å; F332-M340 HydrophobicContact CE1-CE 3.65Å; F332-M340 HydrophobicContact CG-CE 4.05Å; F332-M340 HydrophobicContact CZ-CE 4.21Å; Q336-M340 HydrophobicContact CB-CE 4.21Å; Q336-M340 VanDerWaalsContact O-CG 3.25Å; Q336-M340 WeakPolarHBondContact O-CG 3.46Å; Q336-M340 PolarHBondContact O-N 3.49Å; L337-M340 PolarHBondContact O-N 3.34Å; M340-F343 PolarHBondContact O-N 3.05Å; M340-C344 PolarHBondContact O-N 2.96Å; M340-F374 HydrophobicContact CB-CE1 3.75Å; M340-F374 HydrophobicContact CB-CZ 3.87Å; M340-F374 HydrophobicContact CG-CZ 4.48Å; M340-F374 HydrophobicContact SD-CZ 3.95Å |
| 341 | A | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.9 | -45.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L337 T338 F343 C344 N345 I378 F392 W393 | L337-A341 VanDerWaalsContact O-CB 3.3Å; L337-A341 WeakPolarHBondContact O-CB 3.49Å; L337-A341 PolarHBondContact O-N 2.87Å; T338-A341 PolarHBondContact O-N 3.45Å; A341-F343 PolarHBondContact O-N 3.39Å; A341-C344 PolarHBondContact O-N 2.82Å; A341-N345 WeakPolarHBondContact O-CB 3.15Å; A341-N345 PolarHBondContact O-N 3.15Å; A341-I378 HydrophobicContact CB-CG1 4.26Å; A341-I378 HydrophobicContact CB-CG2 4.1Å; A341-F392 HydrophobicContact CB-CE1 3.81Å; A341-F392 HydrophobicContact CB-CZ 4.02Å; A341-W393 HydrophobicContact CB-CH2 3.6Å; A341-W393 HydrophobicContact CB-CZ2 4.42Å; A341-W393 HydrophobicContact CB-CZ3 4.04Å |
| 342 | L | 96.6 | Very high | 96.2 | Very high | 51 Ų | 51 | 18.5 Ų | 18.5 | 27% | 0.267 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -62 | -44.4 | 176.6 | -178.7 | 61.9 | 0 | 0 | 0 | 111.4 | V281 T338 E339 N345 L346 F392 | V281-L342 HydrophobicContact CB-CD2 4.14Å; V281-L342 HydrophobicContact CG1-CB 4.22Å; V281-L342 HydrophobicContact CG1-CD2 4.07Å; V281-L342 HydrophobicContact CG1-CG 3.98Å; T338-L342 WeakPolarHBondContact O-CB 3.48Å; T338-L342 PolarHBondContact O-N 2.96Å; E339-L342 PolarHBondContact O-N 3.34Å; L342-N345 PolarHBondContact O-N 3.1Å; L342-L346 HydrophobicContact CD1-CD1 3.8Å; L342-L346 HydrophobicContact CD1-CG 3.96Å; L342-L346 HydrophobicContact CG-CD1 3.98Å; L342-L346 HydrophobicContact CG-CG 4.46Å; L342-L346 WeakPolarHBondContact O-CB 3.36Å; L342-L346 WeakPolarHBondContact O-CG 3.3Å; L342-L346 PolarHBondContact O-N 2.8Å; L342-F392 HydrophobicContact CB-CE2 4.13Å; L342-F392 HydrophobicContact CB-CZ 3.78Å; L342-F392 HydrophobicContact CD1-CE2 4.47Å |
| 343 | F | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.1 | -54.4 | 178.4 | -179.9 | -87 | 0 | 0 | 0 | 111.1 | W273 V277 V281 V285 H288 I306 F310 E339 M340 A341 N345 F347 L371 | W273-F343 HydrophobicContact CH2-CB 3.88Å; W273-F343 HydrophobicContact CH2-CD2 4.48Å; W273-F343 HydrophobicContact CH2-CG 4.09Å; V277-F343 HydrophobicContact CG1-CD2 4.36Å; V277-F343 HydrophobicContact CG2-CD2 4.08Å; V277-F343 HydrophobicContact CG2-CE2 4.04Å; V281-F343 HydrophobicContact CG1-CB 3.75Å; V281-F343 HydrophobicContact CG1-CD2 4.29Å; V285-F343 HydrophobicContact CG2-CB 4.36Å; V285-F343 HydrophobicContact CG2-CD2 3.46Å; V285-F343 VanDerWaalsContact CG2-CD2 3.46Å; V285-F343 HydrophobicContact CG2-CE2 3.85Å; V285-F343 HydrophobicContact CG2-CG 3.98Å; H288-F343 HydrophobicContact CB-CZ 4.22Å; H288-F343 AromaticContact CG-CZ 3.85Å; H288-F343 AromaticContact ND1-CE2 3.68Å; H288-F343 AromaticContact ND1-CZ 3.7Å; I306-F343 HydrophobicContact CD1-CE1 3.71Å; I306-F343 HydrophobicContact CD1-CE2 4.45Å; I306-F343 HydrophobicContact CD1-CZ 3.56Å; F310-F343 AromaticContact CE2-CD1 3.96Å; F310-F343 HydrophobicContact CE2-CD1 3.96Å; F310-F343 AromaticContact CE2-CE1 3.9Å; F310-F343 HydrophobicContact CE2-CE1 3.9Å; F310-F343 AromaticContact CZ-CD1 3.8Å; F310-F343 HydrophobicContact CZ-CD1 3.8Å; F310-F343 HydrophobicContact CZ-CE1 4.23Å; E339-F343 WeakPolarHBondContact O-CB 3.41Å; E339-F343 PolarHBondContact O-N 3.47Å; M340-F343 PolarHBondContact O-N 3.05Å; A341-F343 PolarHBondContact O-N 3.39Å; F343-N345 PolarHBondContact O-N 3.05Å; F343-F347 HydrophobicContact CE1-CB 4.46Å; F343-F347 WeakPolarHBondContact O-CB 3.32Å; F343-F347 PolarHBondContact O-N 3.43Å; F343-L371 HydrophobicContact CE1-CD2 3.91Å |
| 344 | C | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.4 | -39.9 | -178.5 | -68.2 | 0 | 0 | 0 | 0 | 112 | F310 M340 A341 F347 T348 L375 | F310-C344 WeakPolarHBondContact CE1-SG 3.28Å; F310-C344 WeakPolarHBondContact CZ-SG 3.33Å; M340-C344 PolarHBondContact O-N 2.96Å; A341-C344 PolarHBondContact O-N 2.82Å; C344-F347 PolarHBondContact O-N 3.33Å; C344-T348 WeakPolarHBondContact O-CB 3.39Å; C344-T348 PolarHBondContact O-N 2.84Å; C344-T348 PolarHBondContact O-OG1 2.76Å; C344-T348 VanDerWaalsContact O-OG1 3.11Å; C344-L375 HydrophobicContact CB-CB 3.98Å; C344-L375 HydrophobicContact CB-CD1 4.21Å |
| 345 | N | 97.4 | Very high | 96.2 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.011 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.2 | -49.6 | 179.5 | -166.5 | 26.4 | 0 | 0 | 0 | 111.3 | A341 L342 F343 F349 L375 W393 V424 | A341-N345 WeakPolarHBondContact O-CB 3.15Å; A341-N345 PolarHBondContact O-N 3.15Å; L342-N345 PolarHBondContact O-N 3.1Å; F343-N345 PolarHBondContact O-N 3.05Å; N345-F349 VanDerWaalsContact O-CB 3.27Å; N345-F349 WeakPolarHBondContact O-CB 3.27Å; N345-F349 PolarHBondContact O-N 3.24Å; N345-F349 VanDerWaalsContact O-N 3.07Å; N345-L375 HydrophobicContact CB-CD1 3.9Å; N345-W393 PolarHBondContact ND2-O 3.19Å; N345-V424 WeakPolarHBondContact OD1-CG1 3.21Å |
| 346 | L | 97 | Very high | 96.2 | Very high | 19 Ų | 19 | 26.1 Ų | 26.1 | 10% | 0.099 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.9 | -43.2 | 177.3 | -69.7 | 178.6 | 0 | 0 | 0 | 112.3 | P282 V285 L342 R350 I395 | P282-L346 HydrophobicContact CG-CD1 4.29Å; V285-L346 HydrophobicContact CG1-CB 4.05Å; V285-L346 HydrophobicContact CG2-CB 4.07Å; L342-L346 HydrophobicContact CD1-CD1 3.8Å; L342-L346 HydrophobicContact CD1-CG 3.96Å; L342-L346 HydrophobicContact CG-CD1 3.98Å; L342-L346 HydrophobicContact CG-CG 4.46Å; L342-L346 WeakPolarHBondContact O-CB 3.36Å; L342-L346 WeakPolarHBondContact O-CG 3.3Å; L342-L346 PolarHBondContact O-N 2.8Å; L346-R350 VanDerWaalsContact O-CB 3.25Å; L346-R350 WeakPolarHBondContact O-CB 3.36Å; L346-R350 WeakPolarHBondContact O-CG 3.2Å; L346-R350 PolarHBondContact O-N 3.01Å; L346-I395 HydrophobicContact CD2-CD1 3.81Å |
| 347 | F | 97 | Very high | 96.2 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.009 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.6 | -53 | 179.6 | 179 | -88.7 | 0 | 0 | 0 | 110.8 | V285 H288 L289 L292 F343 C344 F349 S351 F368 L371 | V285-F347 HydrophobicContact CG1-CB 4.13Å; H288-F347 HydrophobicContact CB-CD2 4.16Å; H288-F347 HydrophobicContact CB-CE2 3.91Å; L289-F347 HydrophobicContact CD2-CD2 3.72Å; L289-F347 HydrophobicContact CD2-CE2 3.82Å; L289-F347 HydrophobicContact CD2-CG 4.29Å; L289-F347 HydrophobicContact CD2-CZ 4.47Å; L289-F347 HydrophobicContact CG-CD2 4.05Å; L289-F347 HydrophobicContact CG-CE2 4.32Å; L292-F347 HydrophobicContact CD2-CZ 4.06Å; F343-F347 HydrophobicContact CE1-CB 4.46Å; F343-F347 WeakPolarHBondContact O-CB 3.32Å; F343-F347 PolarHBondContact O-N 3.43Å; C344-F347 PolarHBondContact O-N 3.33Å; F347-F349 PolarHBondContact O-N 2.94Å; F347-S351 WeakPolarHBondContact O-CB 3.41Å; F347-S351 PolarHBondContact O-N 3.13Å; F347-S351 PolarHBondContact O-OG 2.65Å; F347-F368 AromaticContact CE1-CD2 3.98Å; F347-F368 HydrophobicContact CE1-CD2 3.98Å; F347-L371 HydrophobicContact CD1-CD2 3.44Å; F347-L371 VanDerWaalsContact CD1-CD2 3.44Å; F347-L371 HydrophobicContact CD2-CD2 4.42Å; F347-L371 HydrophobicContact CE1-CD2 3.59Å; F347-L371 HydrophobicContact CG-CD2 3.89Å; F347-L371 HydrophobicContact CZ-CD2 4.16Å |
| 348 | T | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.9 | -40.7 | -178.1 | -62.9 | 0 | 0 | 0 | 0 | 112.2 | C344 S351 F368 C372 I421 | C344-T348 WeakPolarHBondContact O-CB 3.39Å; C344-T348 PolarHBondContact O-N 2.84Å; C344-T348 PolarHBondContact O-OG1 2.76Å; C344-T348 VanDerWaalsContact O-OG1 3.11Å; T348-S351 PolarHBondContact O-OG 2.64Å; T348-F368 HydrophobicContact CG2-CE2 4.11Å; T348-F368 HydrophobicContact CG2-CZ 3.85Å; T348-C372 WeakPolarHBondContact CG2-SG 3.32Å; T348-I421 HydrophobicContact CG2-CD1 3.98Å; T348-I421 HydrophobicContact CG2-CG1 4.42Å; T348-I421 HydrophobicContact CG2-CG2 3.78Å |
| 349 | F | 97.1 | Very high | 96.1 | Very high | 7 Ų | 7 | 30.1 Ų | 30.1 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.9 | -54.6 | 178 | 175.1 | -96.6 | 0 | 0 | 0 | 111.9 | N345 F347 S351 I352 W353 I395 L398 I417 I421 V424 | N345-F349 VanDerWaalsContact O-CB 3.27Å; N345-F349 WeakPolarHBondContact O-CB 3.27Å; N345-F349 PolarHBondContact O-N 3.24Å; N345-F349 VanDerWaalsContact O-N 3.07Å; F347-F349 PolarHBondContact O-N 2.94Å; F349-S351 PolarHBondContact O-N 2.58Å; F349-I352 PolarHBondContact O-N 3.46Å; F349-W353 HydrophobicContact CD1-CB 4.36Å; F349-W353 HydrophobicContact CE1-CB 3.9Å; F349-W353 AromaticContact CE1-CD1 3.81Å; F349-W353 AromaticContact CE1-CG 3.97Å; F349-W353 HydrophobicContact CE1-CG 3.97Å; F349-W353 HydrophobicContact CE2-CB 4.09Å; F349-W353 HydrophobicContact CE2-CD2 4.41Å; F349-W353 HydrophobicContact CE2-CG 4.06Å; F349-W353 HydrophobicContact CZ-CB 3.76Å; F349-W353 AromaticContact CZ-CD1 3.52Å; F349-W353 HydrophobicContact CZ-CD2 4.11Å; F349-W353 AromaticContact CZ-CG 3.51Å; F349-W353 HydrophobicContact CZ-CG 3.51Å; F349-W353 VanDerWaalsContact O-CB 3.27Å; F349-W353 WeakPolarHBondContact O-CB 3.43Å; F349-W353 PolarHBondContact O-N 2.93Å; F349-I395 HydrophobicContact CB-CD1 4.2Å; F349-I395 HydrophobicContact CB-CG1 4.39Å; F349-I395 HydrophobicContact CD1-CD1 3.97Å; F349-I395 HydrophobicContact CD1-CG1 3.94Å; F349-I395 HydrophobicContact CD1-CG2 4.07Å; F349-I395 HydrophobicContact CD2-CG1 4.03Å; F349-I395 HydrophobicContact CE1-CB 4.42Å; F349-I395 HydrophobicContact CE1-CG1 4.26Å; F349-I395 HydrophobicContact CE1-CG2 3.67Å; F349-I395 HydrophobicContact CE2-CG1 4.32Å; F349-I395 HydrophobicContact CG-CD1 4.03Å; F349-I395 HydrophobicContact CG-CG1 3.83Å; F349-I395 HydrophobicContact CZ-CB 4.45Å; F349-I395 HydrophobicContact CZ-CG1 4.43Å; F349-I395 HydrophobicContact CZ-CG2 3.99Å; F349-L398 HydrophobicContact CE2-CD2 3.81Å; F349-L398 HydrophobicContact CZ-CB 4.45Å; F349-L398 HydrophobicContact CZ-CD1 4.17Å; F349-L398 HydrophobicContact CZ-CD2 4.01Å; F349-L398 HydrophobicContact CZ-CG 4.45Å; F349-I417 HydrophobicContact CD2-CD1 3.94Å; F349-I417 HydrophobicContact CD2-CG1 4.42Å; F349-I417 HydrophobicContact CE2-CD1 3.77Å; F349-I421 HydrophobicContact CB-CD1 3.94Å; F349-I421 HydrophobicContact CD2-CD1 4.31Å; F349-V424 HydrophobicContact CD2-CG2 4.21Å |
| 350 | R | 96.9 | Very high | 96 | Very high | 52 Ų | 52 | 34 Ų | 34 | 20% | 0.196 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.4 | -35.1 | -174.4 | -68.7 | -171.4 | 177.4 | 173.1 | -1.4 | 112.2 | L289 L346 I352 E354 | L289-R350 HydrophobicContact CD1-CB 3.64Å; L346-R350 VanDerWaalsContact O-CB 3.25Å; L346-R350 WeakPolarHBondContact O-CB 3.36Å; L346-R350 WeakPolarHBondContact O-CG 3.2Å; L346-R350 PolarHBondContact O-N 3.01Å; R350-I352 PolarHBondContact O-N 3.28Å; R350-E354 HydrophobicContact CB-CG 4.37Å; R350-E354 WeakPolarHBondContact CD-OE1 3.48Å; R350-E354 WeakPolarHBondContact CG-OE1 3.35Å; R350-E354 IonicContact NE-OE1 2.65Å; R350-E354 VanDerWaalsContact O-CB 3.29Å; R350-E354 WeakPolarHBondContact O-CB 3.47Å; R350-E354 PolarHBondContact O-N 3.06Å |
| 351 | S | 96.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.7 | -37 | -179.8 | 69.4 | 0 | 0 | 0 | 0 | 112.3 | L289 F347 T348 F349 Y356 T357 F368 | L289-S351 VanDerWaalsContact CD2-CB 3.48Å; F347-S351 WeakPolarHBondContact O-CB 3.41Å; F347-S351 PolarHBondContact O-N 3.13Å; F347-S351 PolarHBondContact O-OG 2.65Å; T348-S351 PolarHBondContact O-OG 2.64Å; F349-S351 PolarHBondContact O-N 2.58Å; S351-Y356 PolarHBondContact O-N 3.25Å; S351-T357 PolarHBondContact O-N 3.38Å; S351-F368 WeakPolarHBondContact OG-CE2 3.33Å |
| 352 | I | 96.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -90.2 | -51.5 | 179.7 | -58.1 | -62.1 | 0 | 0 | 0 | 111.3 | F349 R350 E354 N355 T357 V359 A362 F368 R413 F416 | F349-I352 PolarHBondContact O-N 3.46Å; R350-I352 PolarHBondContact O-N 3.28Å; I352-E354 VanDerWaalsContact C-N 3.35Å; I352-E354 PolarHBondContact O-N 2.72Å; I352-N355 PolarHBondContact O-N 3.39Å; I352-T357 HydrophobicContact CD1-CG2 3.99Å; I352-V359 HydrophobicContact CG2-CG2 4.21Å; I352-A362 HydrophobicContact CD1-CB 3.56Å; I352-F368 HydrophobicContact CD1-CE2 4.49Å; I352-F368 HydrophobicContact CD1-CZ 4.16Å; I352-F368 HydrophobicContact CG1-CE2 4.39Å; I352-F368 HydrophobicContact CG1-CZ 4.08Å; I352-R413 HydrophobicContact CG2-CB 3.86Å; I352-R413 HydrophobicContact CG2-CG 4.14Å; I352-R413 WeakPolarHBondContact O-CD 3.38Å; I352-F416 HydrophobicContact CB-CD1 4.24Å; I352-F416 HydrophobicContact CD1-CD1 4.29Å; I352-F416 HydrophobicContact CD1-CE1 4.22Å; I352-F416 HydrophobicContact CG1-CD1 3.71Å; I352-F416 HydrophobicContact CG1-CE1 3.64Å; I352-F416 HydrophobicContact CG1-CZ 4.37Å; I352-F416 HydrophobicContact CG2-CB 4.4Å; I352-F416 HydrophobicContact CG2-CD1 3.89Å; I352-F416 HydrophobicContact CG2-CG 4.33Å |
| 353 | W | 95.4 | Very high | 95.4 | Very high | 55 Ų | 55 | 35.6 Ų | 35.6 | 21% | 0.208 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.7 | -36.9 | -172.7 | -166.9 | -110.8 | 0 | 0 | 0 | 112.6 | F349 L398 F403 E406 R413 A414 I417 | F349-W353 HydrophobicContact CD1-CB 4.36Å; F349-W353 HydrophobicContact CE1-CB 3.9Å; F349-W353 AromaticContact CE1-CD1 3.81Å; F349-W353 AromaticContact CE1-CG 3.97Å; F349-W353 HydrophobicContact CE1-CG 3.97Å; F349-W353 HydrophobicContact CE2-CB 4.09Å; F349-W353 HydrophobicContact CE2-CD2 4.41Å; F349-W353 HydrophobicContact CE2-CG 4.06Å; F349-W353 HydrophobicContact CZ-CB 3.76Å; F349-W353 AromaticContact CZ-CD1 3.52Å; F349-W353 HydrophobicContact CZ-CD2 4.11Å; F349-W353 AromaticContact CZ-CG 3.51Å; F349-W353 HydrophobicContact CZ-CG 3.51Å; F349-W353 VanDerWaalsContact O-CB 3.27Å; F349-W353 WeakPolarHBondContact O-CB 3.43Å; F349-W353 PolarHBondContact O-N 2.93Å; W353-L398 HydrophobicContact CZ2-CD1 3.74Å; W353-F403 HydrophobicContact CE3-CD2 4.42Å; W353-F403 HydrophobicContact CE3-CE2 4.37Å; W353-F403 AromaticContact CH2-CD2 3.58Å; W353-F403 HydrophobicContact CH2-CD2 3.58Å; W353-F403 HydrophobicContact CH2-CE2 4.2Å; W353-F403 HydrophobicContact CZ2-CD2 4.23Å; W353-F403 AromaticContact CZ3-CD2 3.68Å; W353-F403 HydrophobicContact CZ3-CD2 3.68Å; W353-F403 AromaticContact CZ3-CE2 3.81Å; W353-F403 HydrophobicContact CZ3-CE2 3.81Å; W353-E406 HydrophobicContact CH2-CB 4.44Å; W353-E406 HydrophobicContact CH2-CG 4.38Å; W353-R413 HydrophobicContact CE3-CB 4.44Å; W353-R413 PolarHBondContact O-NH1 3.18Å; W353-A414 HydrophobicContact CZ3-CB 4.07Å; W353-I417 HydrophobicContact CB-CD1 4.16Å; W353-I417 HydrophobicContact CD2-CD1 4.12Å; W353-I417 HydrophobicContact CE3-CD1 3.43Å; W353-I417 VanDerWaalsContact CE3-CD1 3.43Å; W353-I417 HydrophobicContact CG-CD1 4.45Å; W353-I417 HydrophobicContact CZ3-CD1 4.15Å |
| 354 | E | 94.6 | Very high | 95.2 | Very high | 93 Ų | 93 | 42.3 Ų | 42.3 | 44% | 0.435 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 7.6 | -180 | -56.5 | 177.3 | -169.3 | 0 | 0 | 113 | R350 I352 Y356 | R350-E354 HydrophobicContact CB-CG 4.37Å; R350-E354 WeakPolarHBondContact CD-OE1 3.48Å; R350-E354 WeakPolarHBondContact CG-OE1 3.35Å; R350-E354 IonicContact NE-OE1 2.65Å; R350-E354 VanDerWaalsContact O-CB 3.29Å; R350-E354 WeakPolarHBondContact O-CB 3.47Å; R350-E354 PolarHBondContact O-N 3.06Å; I352-E354 VanDerWaalsContact C-N 3.35Å; I352-E354 PolarHBondContact O-N 2.72Å; E354-Y356 HydrophobicContact CB-CD2 4.01Å; E354-Y356 HydrophobicContact CB-CE2 3.83Å; E354-Y356 PolarHBondContact O-N 3.04Å; E354-Y356 WeakPolarHBondContact OE2-CE2 3.26Å |
| 355 | N | 93.6 | Very high | 94.9 | Very high | 94 Ų | 94 | 44.2 Ų | 44.2 | 50% | 0.503 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 43.1 | 177.4 | -55.6 | -38.8 | 0 | 0 | 0 | 114.8 | I352 T357 R413 | I352-N355 PolarHBondContact O-N 3.39Å; N355-T357 VanDerWaalsContact C-N 3.28Å; N355-R413 PolarHBondContact ND2-NH1 3.32Å; N355-R413 WeakPolarHBondContact OD1-CD 3.14Å; N355-R413 PolarHBondContact OD1-NH1 3.37Å |
| 356 | Y | 95 | Very high | 94.7 | Very high | 44 Ų | 44 | 47.8 Ų | 47.8 | 17% | 0.173 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -72.7 | -28.5 | 164.3 | -70.9 | -94.7 | 0 | 0 | 0 | 111.4 | L289 K293 S351 E354 | L289-Y356 HydrophobicContact CB-CD1 3.66Å; L289-Y356 HydrophobicContact CB-CD2 4.17Å; L289-Y356 HydrophobicContact CB-CE1 3.7Å; L289-Y356 HydrophobicContact CB-CE2 4.2Å; L289-Y356 HydrophobicContact CB-CG 3.9Å; L289-Y356 HydrophobicContact CD1-CD2 4.14Å; L289-Y356 HydrophobicContact CD1-CE2 3.92Å; L289-Y356 HydrophobicContact CD2-CD2 4.33Å; L289-Y356 HydrophobicContact CD2-CG 4.32Å; L289-Y356 HydrophobicContact CG-CD2 4.46Å; L289-Y356 VanDerWaalsContact O-CD1 3.25Å; L289-Y356 WeakPolarHBondContact O-CD1 3.45Å; K293-Y356 HydrophobicContact CB-CD1 3.95Å; K293-Y356 HydrophobicContact CD-CD1 3.93Å; K293-Y356 HydrophobicContact CD-CE1 4.46Å; S351-Y356 PolarHBondContact O-N 3.25Å; E354-Y356 HydrophobicContact CB-CD2 4.01Å; E354-Y356 HydrophobicContact CB-CE2 3.83Å; E354-Y356 PolarHBondContact O-N 3.04Å; E354-Y356 WeakPolarHBondContact OE2-CE2 3.26Å |
| 357 | T | 93.9 | Very high | 94.5 | Very high | 22 Ų | 22 | 47.2 Ų | 47.2 | 14% | 0.135 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -145.2 | 150.4 | 172.4 | -169.3 | 0 | 0 | 0 | 0 | 109.5 | L292 S351 I352 N355 A361 A362 | L292-T357 HydrophobicContact CD2-CG2 3.88Å; S351-T357 PolarHBondContact O-N 3.38Å; I352-T357 HydrophobicContact CD1-CG2 3.99Å; N355-T357 VanDerWaalsContact C-N 3.28Å; T357-A361 WeakPolarHBondContact OG1-CB 2.99Å; T357-A362 HydrophobicContact CG2-CB 3.85Å |
| 358 | D | 94.2 | Very high | 94.3 | Very high | 92 Ų | 92 | 47.2 Ų | 47.2 | 49% | 0.492 | 24% | 0.242 | S | C | . | . | trans | -80.8 | 165.3 | 171.9 | 70.1 | 83.2 | 0 | 0 | 0 | 111.3 | Q360 A361 A362 | D358-Q360 VanDerWaalsContact C-N 3.33Å; D358-Q360 PolarHBondContact O-N 3.38Å; D358-Q360 WeakPolarHBondContact OD1-CA 3.43Å; D358-Q360 WeakPolarHBondContact OD1-CB 3.36Å; D358-Q360 PolarHBondContact OD1-N 2.93Å; D358-A361 PolarHBondContact O-N 3.19Å; D358-A361 PolarHBondContact OD1-N 3.46Å; D358-A361 VanDerWaalsContact OD2-CB 3.24Å; D358-A361 WeakPolarHBondContact OD2-CB 3.39Å; D358-A362 WeakPolarHBondContact O-CB 2.88Å; D358-A362 PolarHBondContact O-N 3.4Å | ||
| 359 | V | 94.3 | Very high | 94.2 | Very high | 33 Ų | 33 | 50.9 Ų | 50.9 | 20% | 0.2 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.4 | -39.3 | -175.3 | 172.4 | 0 | 0 | 0 | 0 | 112.6 | I352 C363 L412 R413 F416 | I352-V359 HydrophobicContact CG2-CG2 4.21Å; V359-C363 PolarHBondContact O-N 3.27Å; V359-C363 VanDerWaalsContact O-N 3.07Å; V359-C363 PolarHBondContact O-SG 3.1Å; V359-L412 HydrophobicContact CG2-CB 4.4Å; V359-R413 HydrophobicContact CG2-CG 4.48Å; V359-F416 HydrophobicContact CG1-CB 4.16Å; V359-F416 HydrophobicContact CG1-CD2 3.69Å; V359-F416 HydrophobicContact CG1-CG 4.24Å; V359-F416 HydrophobicContact CG2-CB 3.89Å; V359-F416 HydrophobicContact CG2-CD2 4.48Å; V359-F416 HydrophobicContact CG2-CG 4.27Å |
| 360 | Q | 94.1 | Very high | 94.1 | Very high | 146 Ų | 146 | 50.8 Ų | 50.8 | 68% | 0.682 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -71.9 | -45.1 | -178.2 | -64.4 | 179.7 | -7.7 | 0 | 0 | 110.7 | D358 A362 C363 N364 | D358-Q360 VanDerWaalsContact C-N 3.33Å; D358-Q360 PolarHBondContact O-N 3.38Å; D358-Q360 WeakPolarHBondContact OD1-CA 3.43Å; D358-Q360 WeakPolarHBondContact OD1-CB 3.36Å; D358-Q360 PolarHBondContact OD1-N 2.93Å; Q360-A362 VanDerWaalsContact C-N 3.32Å; Q360-A362 PolarHBondContact O-N 2.8Å; Q360-C363 PolarHBondContact O-N 2.81Å; Q360-N364 PolarHBondContact O-N 2.92Å; Q360-N364 PolarHBondContact O-ND2 3.34Å |
| 361 | A | 93.4 | Very high | 94.1 | Very high | 39 Ų | 39 | 48.4 Ų | 48.4 | 32% | 0.322 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.5 | -42.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | T357 D358 C363 N364 N365 | T357-A361 WeakPolarHBondContact OG1-CB 2.99Å; D358-A361 PolarHBondContact O-N 3.19Å; D358-A361 PolarHBondContact OD1-N 3.46Å; D358-A361 VanDerWaalsContact OD2-CB 3.24Å; D358-A361 WeakPolarHBondContact OD2-CB 3.39Å; A361-C363 PolarHBondContact O-N 2.65Å; A361-N364 PolarHBondContact O-N 2.71Å; A361-N365 WeakPolarHBondContact O-CB 3.38Å; A361-N365 PolarHBondContact O-N 3.29Å; A361-N365 VanDerWaalsContact O-N 3.08Å |
| 362 | A | 92.9 | Very high | 94 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.6 | -43 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I352 T357 D358 Q360 N364 N365 F368 | I352-A362 HydrophobicContact CD1-CB 3.56Å; T357-A362 HydrophobicContact CG2-CB 3.85Å; D358-A362 WeakPolarHBondContact O-CB 2.88Å; D358-A362 PolarHBondContact O-N 3.4Å; Q360-A362 VanDerWaalsContact C-N 3.32Å; Q360-A362 PolarHBondContact O-N 2.8Å; A362-N364 PolarHBondContact O-N 3.45Å; A362-N365 PolarHBondContact O-N 3.44Å; A362-N365 VanDerWaalsContact O-N 3.17Å; A362-F368 HydrophobicContact CB-CD1 3.83Å; A362-F368 HydrophobicContact CB-CD2 4.43Å; A362-F368 HydrophobicContact CB-CE1 3.75Å; A362-F368 HydrophobicContact CB-CE2 4.4Å; A362-F368 HydrophobicContact CB-CG 4.16Å; A362-F368 HydrophobicContact CB-CZ 4.04Å; A362-F368 WeakPolarHBondContact O-CD1 3.42Å |
| 363 | C | 91.9 | Very high | 93.9 | Very high | 46 Ų | 46 | 49.1 Ų | 49.1 | 31% | 0.311 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.4 | -23.2 | 178.8 | -68.6 | 0 | 0 | 0 | 0 | 113.2 | V359 Q360 A361 | V359-C363 PolarHBondContact O-N 3.27Å; V359-C363 VanDerWaalsContact O-N 3.07Å; V359-C363 PolarHBondContact O-SG 3.1Å; Q360-C363 PolarHBondContact O-N 2.81Å; A361-C363 PolarHBondContact O-N 2.65Å |
| 364 | N | 92.7 | Very high | 93.9 | Very high | 141 Ų | 141 | 46.5 Ų | 46.5 | 75% | 0.754 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -3.4 | 176.7 | -66.4 | -31.1 | 0 | 0 | 0 | 113.1 | Q360 A361 A362 | Q360-N364 PolarHBondContact O-N 2.92Å; Q360-N364 PolarHBondContact O-ND2 3.34Å; A361-N364 PolarHBondContact O-N 2.71Å; A362-N364 PolarHBondContact O-N 3.45Å |
| 365 | N | 92.4 | Very high | 94 | Very high | 39 Ų | 39 | 42 Ų | 42 | 21% | 0.209 | 23% | 0.227 | C | C | . | . | trans | -94.2 | 111.5 | -178.2 | -174.2 | -54 | 0 | 0 | 0 | 110.8 | A361 A362 T367 F368 L369 | A361-N365 WeakPolarHBondContact O-CB 3.38Å; A361-N365 PolarHBondContact O-N 3.29Å; A361-N365 VanDerWaalsContact O-N 3.08Å; A362-N365 PolarHBondContact O-N 3.44Å; A362-N365 VanDerWaalsContact O-N 3.17Å; N365-T367 VanDerWaalsContact C-N 3.34Å; N365-T367 PolarHBondContact O-N 2.92Å; N365-T367 WeakPolarHBondContact OD1-CB 3.46Å; N365-T367 PolarHBondContact OD1-N 3.17Å; N365-F368 HydrophobicContact CB-CB 3.92Å; N365-F368 WeakPolarHBondContact O-CB 3.47Å; N365-F368 PolarHBondContact O-N 3.28Å; N365-F368 PolarHBondContact OD1-N 2.82Å; N365-L369 WeakPolarHBondContact O-CG 3.44Å; N365-L369 PolarHBondContact O-N 3.49Å | ||
| 366 | E | 91.4 | Very high | 94 | Very high | 78 Ų | 78 | 40.2 Ų | 40.2 | 36% | 0.364 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56.4 | -44.2 | -178.5 | -173.6 | 179.5 | -164.7 | 0 | 0 | 112.8 | Q245 F368 L369 V370 | Q245-E366 PolarHBondContact NE2-OE2 3.47Å; E366-F368 VanDerWaalsContact C-N 3.34Å; E366-F368 PolarHBondContact O-N 2.98Å; E366-L369 PolarHBondContact O-N 3.41Å; E366-V370 WeakPolarHBondContact O-CG2 3.28Å; E366-V370 PolarHBondContact O-N 3.37Å |
| 367 | T | 92.7 | Very high | 93.9 | Very high | 7 Ų | 7 | 38.3 Ų | 38.3 | 4% | 0.043 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.3 | -48.5 | 178.5 | -59.6 | 0 | 0 | 0 | 0 | 110.4 | L303 I306 N365 L369 V370 L371 | L303-T367 HydrophobicContact CB-CG2 4.13Å; L303-T367 VanDerWaalsContact O-CG2 3.28Å; L303-T367 WeakPolarHBondContact O-CG2 3.27Å; L303-T367 PolarHBondContact O-OG1 3.39Å; I306-T367 HydrophobicContact CG2-CG2 4.39Å; N365-T367 VanDerWaalsContact C-N 3.34Å; N365-T367 PolarHBondContact O-N 2.92Å; N365-T367 WeakPolarHBondContact OD1-CB 3.46Å; N365-T367 PolarHBondContact OD1-N 3.17Å; T367-L369 VanDerWaalsContact C-N 3.31Å; T367-L369 PolarHBondContact O-N 2.86Å; T367-V370 PolarHBondContact O-N 2.75Å; T367-L371 HydrophobicContact CG2-CD1 3.86Å; T367-L371 WeakPolarHBondContact O-CD1 3.49Å; T367-L371 PolarHBondContact O-N 2.89Å |
| 368 | F | 94.8 | Very high | 94 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.009 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.8 | -42.4 | 179.3 | 180 | -90.4 | 0 | 0 | 0 | 111.8 | F347 T348 S351 I352 A362 N365 E366 L371 C372 F416 | F347-F368 AromaticContact CE1-CD2 3.98Å; F347-F368 HydrophobicContact CE1-CD2 3.98Å; T348-F368 HydrophobicContact CG2-CE2 4.11Å; T348-F368 HydrophobicContact CG2-CZ 3.85Å; S351-F368 WeakPolarHBondContact OG-CE2 3.33Å; I352-F368 HydrophobicContact CD1-CE2 4.49Å; I352-F368 HydrophobicContact CD1-CZ 4.16Å; I352-F368 HydrophobicContact CG1-CE2 4.39Å; I352-F368 HydrophobicContact CG1-CZ 4.08Å; A362-F368 HydrophobicContact CB-CD1 3.83Å; A362-F368 HydrophobicContact CB-CD2 4.43Å; A362-F368 HydrophobicContact CB-CE1 3.75Å; A362-F368 HydrophobicContact CB-CE2 4.4Å; A362-F368 HydrophobicContact CB-CG 4.16Å; A362-F368 HydrophobicContact CB-CZ 4.04Å; A362-F368 WeakPolarHBondContact O-CD1 3.42Å; N365-F368 HydrophobicContact CB-CB 3.92Å; N365-F368 WeakPolarHBondContact O-CB 3.47Å; N365-F368 PolarHBondContact O-N 3.28Å; N365-F368 PolarHBondContact OD1-N 2.82Å; E366-F368 VanDerWaalsContact C-N 3.34Å; E366-F368 PolarHBondContact O-N 2.98Å; F368-L371 PolarHBondContact O-N 3.48Å; F368-C372 WeakPolarHBondContact CE1-SG 3.38Å; F368-C372 VanDerWaalsContact CZ-SG 3.57Å; F368-C372 PolarHBondContact O-N 2.94Å; F368-C372 PolarHBondContact O-SG 3.37Å; F368-F416 HydrophobicContact CE1-CE1 4.31Å; F368-F416 HydrophobicContact CE1-CE2 4.31Å; F368-F416 AromaticContact CE1-CZ 3.54Å; F368-F416 HydrophobicContact CE1-CZ 3.54Å; F368-F416 AromaticContact CZ-CE1 3.91Å; F368-F416 HydrophobicContact CZ-CE1 3.91Å; F368-F416 AromaticContact CZ-CZ 3.6Å; F368-F416 HydrophobicContact CZ-CZ 3.6Å |
| 369 | L | 93.9 | Very high | 94 | Very high | 76 Ų | 76 | 33.6 Ų | 33.6 | 40% | 0.398 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65.7 | -36.9 | 176.9 | -66.6 | 178.8 | 0 | 0 | 0 | 113.2 | N365 E366 T367 G373 | N365-L369 WeakPolarHBondContact O-CG 3.44Å; N365-L369 PolarHBondContact O-N 3.49Å; E366-L369 PolarHBondContact O-N 3.41Å; T367-L369 VanDerWaalsContact C-N 3.31Å; T367-L369 PolarHBondContact O-N 2.86Å; L369-G373 PolarHBondContact O-N 3.03Å |
| 370 | V | 95.3 | Very high | 93.9 | Very high | 6 Ų | 6 | 33.4 Ų | 33.4 | 4% | 0.036 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.6 | -46.9 | 175.4 | 168.5 | 0 | 0 | 0 | 0 | 110.7 | S307 F310 E311 E366 T367 C372 G373 F374 | S307-V370 WeakPolarHBondContact O-CG1 3.45Å; S307-V370 WeakPolarHBondContact OG-CG2 3.44Å; F310-V370 HydrophobicContact CB-CG1 3.82Å; E311-V370 HydrophobicContact CB-CG1 4.06Å; E366-V370 WeakPolarHBondContact O-CG2 3.28Å; E366-V370 PolarHBondContact O-N 3.37Å; T367-V370 PolarHBondContact O-N 2.75Å; V370-C372 PolarHBondContact O-N 3.22Å; V370-G373 PolarHBondContact O-N 2.71Å; V370-G373 VanDerWaalsContact O-N 3.15Å; V370-F374 PolarHBondContact O-N 3.29Å |
| 371 | L | 96.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.4 | -42.1 | 177.7 | -87.7 | 69.3 | 0 | 0 | 0 | 111.9 | F310 F343 F347 T367 F368 G373 F374 L375 | F310-L371 HydrophobicContact CB-CD1 4.48Å; F310-L371 HydrophobicContact CD2-CD1 3.63Å; F310-L371 HydrophobicContact CD2-CG 3.77Å; F310-L371 HydrophobicContact CE2-CD1 4.26Å; F310-L371 HydrophobicContact CE2-CD2 4.36Å; F310-L371 HydrophobicContact CE2-CG 4Å; F310-L371 HydrophobicContact CG-CD1 4.34Å; F310-L371 HydrophobicContact CG-CG 4.43Å; F343-L371 HydrophobicContact CE1-CD2 3.91Å; F347-L371 HydrophobicContact CD1-CD2 3.44Å; F347-L371 VanDerWaalsContact CD1-CD2 3.44Å; F347-L371 HydrophobicContact CD2-CD2 4.42Å; F347-L371 HydrophobicContact CE1-CD2 3.59Å; F347-L371 HydrophobicContact CG-CD2 3.89Å; F347-L371 HydrophobicContact CZ-CD2 4.16Å; T367-L371 HydrophobicContact CG2-CD1 3.86Å; T367-L371 WeakPolarHBondContact O-CD1 3.49Å; T367-L371 PolarHBondContact O-N 2.89Å; F368-L371 PolarHBondContact O-N 3.48Å; L371-G373 VanDerWaalsContact C-N 3.28Å; L371-G373 PolarHBondContact O-N 3.25Å; L371-F374 PolarHBondContact O-N 2.96Å; L371-L375 WeakPolarHBondContact O-CB 3.36Å; L371-L375 PolarHBondContact O-N 3.36Å |
| 372 | C | 94.8 | Very high | 93.8 | Very high | 12 Ų | 12 | 25.4 Ų | 25.4 | 8% | 0.081 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62 | -37.5 | 173.7 | -67.7 | 0 | 0 | 0 | 0 | 112.2 | T348 F368 V370 L375 I376 | T348-C372 WeakPolarHBondContact CG2-SG 3.32Å; F368-C372 WeakPolarHBondContact CE1-SG 3.38Å; F368-C372 VanDerWaalsContact CZ-SG 3.57Å; F368-C372 PolarHBondContact O-N 2.94Å; F368-C372 PolarHBondContact O-SG 3.37Å; V370-C372 PolarHBondContact O-N 3.22Å; C372-L375 WeakPolarHBondContact O-CB 3.37Å; C372-L375 PolarHBondContact O-N 3.23Å; C372-I376 WeakPolarHBondContact O-CG1 3.45Å; C372-I376 PolarHBondContact O-N 2.7Å |
| 373 | G | 94.1 | Very high | 93.7 | Very high | 4 Ų | 4 | 26.8 Ų | 26.8 | 4% | 0.041 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.7 | -46.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | L369 V370 L371 L375 I376 L377 | L369-G373 PolarHBondContact O-N 3.03Å; V370-G373 PolarHBondContact O-N 2.71Å; V370-G373 VanDerWaalsContact O-N 3.15Å; L371-G373 VanDerWaalsContact C-N 3.28Å; L371-G373 PolarHBondContact O-N 3.25Å; G373-L375 VanDerWaalsContact C-N 3.31Å; G373-L375 PolarHBondContact O-N 3.28Å; G373-I376 PolarHBondContact O-N 3.02Å; G373-L377 PolarHBondContact O-N 3.02Å |
| 374 | F | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.7 | -44.2 | 172.1 | -179.3 | -87.8 | 0 | 0 | 0 | 111.2 | F310 A313 S314 I317 M340 V370 L371 I376 L377 I378 | F310-F374 HydrophobicContact CB-CB 4.45Å; F310-F374 HydrophobicContact CD1-CB 3.98Å; F310-F374 AromaticContact CD1-CD1 3.68Å; F310-F374 HydrophobicContact CD1-CD1 3.68Å; F310-F374 AromaticContact CD1-CD2 3.68Å; F310-F374 HydrophobicContact CD1-CD2 3.68Å; F310-F374 HydrophobicContact CD1-CE1 4.06Å; F310-F374 HydrophobicContact CD1-CE2 4.01Å; F310-F374 AromaticContact CD1-CG 3.49Å; F310-F374 HydrophobicContact CD1-CG 3.49Å; F310-F374 VanDerWaalsContact CD1-CG 3.49Å; F310-F374 HydrophobicContact CD1-CZ 4.2Å; F310-F374 AromaticContact CE1-CD1 3.7Å; F310-F374 HydrophobicContact CE1-CD1 3.7Å; F310-F374 HydrophobicContact CE1-CD2 4.37Å; F310-F374 AromaticContact CE1-CE1 3.78Å; F310-F374 HydrophobicContact CE1-CE1 3.78Å; F310-F374 HydrophobicContact CE1-CE2 4.39Å; F310-F374 HydrophobicContact CE1-CG 4.02Å; F310-F374 HydrophobicContact CE1-CZ 4.13Å; F310-F374 HydrophobicContact CG-CG 4.44Å; A313-F374 HydrophobicContact CB-CD2 4.35Å; A313-F374 HydrophobicContact CB-CE2 3.86Å; S314-F374 WeakPolarHBondContact OG-CD2 3.42Å; I317-F374 HydrophobicContact CD1-CE2 3.53Å; I317-F374 HydrophobicContact CD1-CZ 3.94Å; M340-F374 HydrophobicContact CB-CE1 3.75Å; M340-F374 HydrophobicContact CB-CZ 3.87Å; M340-F374 HydrophobicContact CG-CZ 4.48Å; M340-F374 HydrophobicContact SD-CZ 3.95Å; V370-F374 PolarHBondContact O-N 3.29Å; L371-F374 PolarHBondContact O-N 2.96Å; F374-I376 VanDerWaalsContact C-N 3.33Å; F374-I376 PolarHBondContact O-N 3.23Å; F374-L377 WeakPolarHBondContact O-CB 3.49Å; F374-L377 PolarHBondContact O-N 3.12Å; F374-I378 HydrophobicContact CD1-CG2 4.15Å; F374-I378 HydrophobicContact CE1-CB 4.16Å; F374-I378 HydrophobicContact CE1-CG2 3.97Å; F374-I378 VanDerWaalsContact O-CG2 3.31Å; F374-I378 WeakPolarHBondContact O-CG2 3.45Å; F374-I378 PolarHBondContact O-N 2.91Å |
| 375 | L | 96.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -55.5 | -46.6 | 177 | 178.9 | 58.2 | 0 | 0 | 0 | 112.1 | C344 N345 L371 C372 G373 I378 Y379 W393 I421 | C344-L375 HydrophobicContact CB-CB 3.98Å; C344-L375 HydrophobicContact CB-CD1 4.21Å; N345-L375 HydrophobicContact CB-CD1 3.9Å; L371-L375 WeakPolarHBondContact O-CB 3.36Å; L371-L375 PolarHBondContact O-N 3.36Å; C372-L375 WeakPolarHBondContact O-CB 3.37Å; C372-L375 PolarHBondContact O-N 3.23Å; G373-L375 VanDerWaalsContact C-N 3.31Å; G373-L375 PolarHBondContact O-N 3.28Å; L375-I378 WeakPolarHBondContact O-CG2 3.32Å; L375-Y379 WeakPolarHBondContact O-CB 3.38Å; L375-Y379 PolarHBondContact O-N 2.88Å; L375-W393 HydrophobicContact CD1-CE3 4.34Å; L375-W393 HydrophobicContact CD1-CZ3 3.6Å; L375-I421 HydrophobicContact CD2-CG2 3.48Å; L375-I421 VanDerWaalsContact CD2-CG2 3.48Å |
| 376 | I | 92.5 | Very high | 93.4 | Very high | 55 Ų | 55 | 28 Ų | 28 | 28% | 0.282 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -65.5 | -43.4 | 178 | -67.9 | 165.3 | 0 | 0 | 0 | 110.9 | C372 G373 F374 N380 | C372-I376 WeakPolarHBondContact O-CG1 3.45Å; C372-I376 PolarHBondContact O-N 2.7Å; G373-I376 PolarHBondContact O-N 3.02Å; F374-I376 VanDerWaalsContact C-N 3.33Å; F374-I376 PolarHBondContact O-N 3.23Å; I376-N380 WeakPolarHBondContact O-CB 3.25Å; I376-N380 PolarHBondContact O-N 3.41Å; I376-N380 PolarHBondContact O-ND2 3.41Å; I376-N380 VanDerWaalsContact O-ND2 3.15Å |
| 377 | L | 93.6 | Very high | 93.5 | Very high | 5 Ų | 5 | 25.9 Ų | 25.9 | 3% | 0.026 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -56.1 | -52.8 | 176.9 | 173.7 | 63.5 | 0 | 0 | 0 | 111.1 | I317 G373 F374 N380 R381 Y583 | I317-L377 HydrophobicContact CB-CD2 4.04Å; I317-L377 HydrophobicContact CG2-CD1 4.41Å; I317-L377 HydrophobicContact CG2-CD2 3.86Å; I317-L377 HydrophobicContact CG2-CG 4.05Å; G373-L377 PolarHBondContact O-N 3.02Å; F374-L377 WeakPolarHBondContact O-CB 3.49Å; F374-L377 PolarHBondContact O-N 3.12Å; L377-N380 PolarHBondContact O-N 2.99Å; L377-R381 PolarHBondContact O-N 3.46Å; L377-R381 VanDerWaalsContact O-N 3.08Å; L377-Y583 HydrophobicContact CB-CD1 4.28Å; L377-Y583 VanDerWaalsContact CD1-O 3.25Å; L377-Y583 WeakPolarHBondContact CD1-O 3.48Å; L377-Y583 HydrophobicContact CD2-CD1 4.46Å |
| 378 | I | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -72.5 | -34.1 | -174.9 | -164.1 | 60.4 | 0 | 0 | 0 | 112 | L337 A341 F374 L375 R381 D382 F387 W393 | L337-I378 HydrophobicContact CB-CD1 4.43Å; L337-I378 HydrophobicContact CD2-CD1 4.23Å; A341-I378 HydrophobicContact CB-CG1 4.26Å; A341-I378 HydrophobicContact CB-CG2 4.1Å; F374-I378 HydrophobicContact CD1-CG2 4.15Å; F374-I378 HydrophobicContact CE1-CB 4.16Å; F374-I378 HydrophobicContact CE1-CG2 3.97Å; F374-I378 VanDerWaalsContact O-CG2 3.31Å; F374-I378 WeakPolarHBondContact O-CG2 3.45Å; F374-I378 PolarHBondContact O-N 2.91Å; L375-I378 WeakPolarHBondContact O-CG2 3.32Å; I378-R381 WeakPolarHBondContact O-CB 3.43Å; I378-R381 PolarHBondContact O-N 3.31Å; I378-D382 PolarHBondContact O-N 2.96Å; I378-F387 HydrophobicContact CD1-CE1 4.19Å; I378-F387 HydrophobicContact CD1-CZ 3.6Å; I378-F387 HydrophobicContact CG1-CZ 3.81Å; I378-W393 HydrophobicContact CG2-CH2 3.98Å |
| 379 | Y | 95.1 | Very high | 93.7 | Very high | 15 Ų | 15 | 30 Ų | 30 | 6% | 0.059 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.9 | -44.2 | 170.9 | 174.4 | -107.3 | 0 | 0 | 0 | 111.8 | L375 R381 D382 C383 W393 H423 | L375-Y379 WeakPolarHBondContact O-CB 3.38Å; L375-Y379 PolarHBondContact O-N 2.88Å; Y379-R381 VanDerWaalsContact C-N 3.32Å; Y379-R381 PolarHBondContact O-N 3.48Å; Y379-D382 PolarHBondContact O-N 3.37Å; Y379-C383 WeakPolarHBondContact CE1-SG 3.47Å; Y379-C383 VanDerWaalsContact CE2-SG 3.57Å; Y379-C383 PolarHBondContact O-N 2.99Å; Y379-C383 PolarHBondContact O-SG 3.29Å; Y379-W393 AromaticContact CD2-CD2 3.71Å; Y379-W393 HydrophobicContact CD2-CD2 3.71Å; Y379-W393 AromaticContact CD2-CE2 3.73Å; Y379-W393 HydrophobicContact CD2-CE3 4.1Å; Y379-W393 HydrophobicContact CD2-CG 4.06Å; Y379-W393 HydrophobicContact CD2-CZ2 4.14Å; Y379-W393 HydrophobicContact CD2-CZ3 4.49Å; Y379-W393 HydrophobicContact CE2-CD2 4.32Å; Y379-W393 HydrophobicContact CE2-CG 4.19Å; Y379-H423 HydrophobicContact CD2-CB 3.95Å; Y379-H423 AromaticContact CD2-CG 3.9Å; Y379-H423 HydrophobicContact CE1-CB 4.03Å; Y379-H423 HydrophobicContact CE2-CB 3.36Å; Y379-H423 AromaticContact CE2-CG 3.85Å; Y379-H423 VanDerWaalsContact CZ-CB 3.4Å |
| 380 | N | 91.4 | Very high | 93.7 | Very high | 29 Ų | 29 | 36 Ų | 36 | 16% | 0.155 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.6 | -35.9 | 178.3 | -71.7 | -28.7 | 0 | 0 | 0 | 112.1 | I376 L377 C383 R384 R569 R578 | I376-N380 WeakPolarHBondContact O-CB 3.25Å; I376-N380 PolarHBondContact O-N 3.41Å; I376-N380 PolarHBondContact O-ND2 3.41Å; I376-N380 VanDerWaalsContact O-ND2 3.15Å; L377-N380 PolarHBondContact O-N 2.99Å; N380-C383 PolarHBondContact O-N 3.21Å; N380-R384 PolarHBondContact O-N 3.37Å; N380-R569 PolarHBondContact O-NH2 3.21Å; N380-R578 PolarHBondContact OD1-NH1 2.97Å |
| 381 | R | 91.6 | Very high | 93.6 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 1% | 0.011 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.2 | -49.3 | 171.3 | -77.7 | -75.4 | -168.3 | -174.5 | -10.1 | 111.1 | I317 A320 D322 F326 L377 I378 Y379 C383 R384 R385 F387 D588 | I317-R381 HydrophobicContact CG2-CG 4.41Å; I317-R381 PolarHBondContact O-NH2 3.32Å; A320-R381 PolarHBondContact O-NH2 2.82Å; D322-R381 IonicContact OD1-NH1 2.71Å; D322-R381 PolarHBondContact OD1-NH1 2.74Å; F326-R381 HydrophobicContact CZ-CB 4.46Å; L377-R381 PolarHBondContact O-N 3.46Å; L377-R381 VanDerWaalsContact O-N 3.08Å; I378-R381 WeakPolarHBondContact O-CB 3.43Å; I378-R381 PolarHBondContact O-N 3.31Å; Y379-R381 VanDerWaalsContact C-N 3.32Å; Y379-R381 PolarHBondContact O-N 3.48Å; R381-C383 VanDerWaalsContact C-N 3.34Å; R381-C383 PolarHBondContact O-N 3Å; R381-R384 WeakPolarHBondContact O-CB 3.45Å; R381-R384 PolarHBondContact O-N 3.08Å; R381-R385 PolarHBondContact O-N 3.32Å; R381-F387 HydrophobicContact CB-CE1 4.37Å; R381-D588 IonicContact CZ-OD1 3.54Å; R381-D588 IonicContact CZ-OD2 2.7Å; R381-D588 IonicContact NE-OD2 3.49Å; R381-D588 PolarHBondContact NE-OD2 3.4Å; R381-D588 IonicContact NH1-OD1 2.74Å; R381-D588 PolarHBondContact NH1-OD1 3.4Å; R381-D588 IonicContact NH1-OD2 2.65Å; R381-D588 PolarHBondContact NH1-OD2 2.6Å; R381-D588 VanDerWaalsContact NH2-CG 3.27Å; R381-D588 IonicContact NH2-OD1 3.45Å; R381-D588 PolarHBondContact NH2-OD1 2.92Å; R381-D588 IonicContact NH2-OD2 3.35Å; R381-D588 PolarHBondContact NH2-OD2 2.98Å |
| 382 | D | 94.4 | Very high | 93.6 | Very high | 13 Ų | 13 | 39 Ų | 39 | 7% | 0.07 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64 | -37.7 | 178.8 | -171.9 | 69 | 0 | 0 | 0 | 112.2 | I378 Y379 R384 R385 S386 F387 T388 W393 | I378-D382 PolarHBondContact O-N 2.96Å; Y379-D382 PolarHBondContact O-N 3.37Å; D382-R384 PolarHBondContact O-N 2.93Å; D382-R385 CarbonylContact O-C 3.58Å; D382-R385 PolarHBondContact O-N 2.87Å; D382-S386 WeakPolarHBondContact O-CA 3.39Å; D382-S386 PolarHBondContact O-N 3.38Å; D382-S386 WeakPolarHBondContact OD1-CA 3.22Å; D382-F387 HydrophobicContact CB-CD1 4.01Å; D382-F387 HydrophobicContact CB-CE1 3.52Å; D382-F387 HydrophobicContact CB-CZ 4.08Å; D382-F387 WeakPolarHBondContact OD1-CD1 3.34Å; D382-F387 PolarHBondContact OD1-N 3.19Å; D382-T388 VanDerWaalsContact CG-OG1 3.22Å; D382-T388 PolarHBondContact OD1-N 2.91Å; D382-T388 PolarHBondContact OD1-OG1 3.41Å; D382-T388 PolarHBondContact OD2-OG1 3.44Å; D382-W393 HydrophobicContact CB-CZ2 3.83Å; D382-W393 PolarHBondContact OD2-NE1 2.74Å |
| 383 | C | 91.1 | Very high | 93.7 | Very high | 30 Ų | 30 | 39.4 Ų | 39.4 | 20% | 0.203 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63 | -27.3 | 173.3 | -68.5 | 0 | 0 | 0 | 0 | 113 | Y379 N380 R381 E689 | Y379-C383 WeakPolarHBondContact CE1-SG 3.47Å; Y379-C383 VanDerWaalsContact CE2-SG 3.57Å; Y379-C383 PolarHBondContact O-N 2.99Å; Y379-C383 PolarHBondContact O-SG 3.29Å; N380-C383 PolarHBondContact O-N 3.21Å; R381-C383 VanDerWaalsContact C-N 3.34Å; R381-C383 PolarHBondContact O-N 3Å; C383-E689 WeakPolarHBondContact CB-OE2 3.4Å |
| 384 | R | 87.6 | Confident | 93.8 | Very high | 59 Ų | 59 | 42.4 Ų | 42.4 | 22% | 0.223 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -81.6 | -49.3 | 175.6 | -168.5 | 155.3 | 56.1 | 77.5 | 29.9 | 112.5 | D322 N380 R381 D382 R569 D588 | D322-R384 VanDerWaalsContact CG-NH2 3.25Å; D322-R384 IonicContact OD1-CZ 3.47Å; D322-R384 IonicContact OD1-NH1 2.92Å; D322-R384 IonicContact OD1-NH2 2.92Å; D322-R384 PolarHBondContact OD1-NH2 3.36Å; D322-R384 IonicContact OD2-CZ 3.81Å; D322-R384 VanDerWaalsContact OD2-CZ 3.23Å; D322-R384 IonicContact OD2-NH1 2.92Å; D322-R384 PolarHBondContact OD2-NH1 3.03Å; D322-R384 IonicContact OD2-NH2 3.13Å; D322-R384 PolarHBondContact OD2-NH2 3.1Å; D322-R384 VanDerWaalsContact OD2-NH2 3.13Å; N380-R384 PolarHBondContact O-N 3.37Å; R381-R384 WeakPolarHBondContact O-CB 3.45Å; R381-R384 PolarHBondContact O-N 3.08Å; D382-R384 PolarHBondContact O-N 2.93Å; R384-R569 VanDerWaalsContact CB-CZ 3.44Å; R384-D588 PolarHBondContact NH1-O 3.07Å |
| 385 | R | 89.6 | Confident | 93.8 | Very high | 103 Ų | 103 | 43.3 Ų | 43.3 | 39% | 0.389 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -137.5 | 103.1 | 178.5 | 179 | 174.7 | 172.8 | -176.4 | -3.6 | 107 | D322 F326 R381 D382 F387 | D322-R385 PolarHBondContact O-NH1 3.42Å; F326-R385 VanDerWaalsContact CB-CZ 3.46Å; F326-R385 HydrophobicContact CD2-CG 4.47Å; F326-R385 HydrophobicContact CE2-CB 4.31Å; F326-R385 HydrophobicContact CE2-CG 4.49Å; R381-R385 PolarHBondContact O-N 3.32Å; D382-R385 CarbonylContact O-C 3.58Å; D382-R385 PolarHBondContact O-N 2.87Å; R385-F387 WeakPolarHBondContact O-CD1 3.5Å; R385-F387 PolarHBondContact O-N 3.21Å |
| 386 | S | 92.8 | Very high | 93.4 | Very high | 90 Ų | 90 | 52.6 Ų | 52.6 | 63% | 0.629 | 27% | 0.269 | S | S | * | . | trans | -62.1 | 128.1 | -179.3 | -177.3 | 0 | 0 | 0 | 0 | 110.1 | D382 T388 | D382-S386 WeakPolarHBondContact O-CA 3.39Å; D382-S386 PolarHBondContact O-N 3.38Å; D382-S386 WeakPolarHBondContact OD1-CA 3.22Å; S386-T388 PolarHBondContact OG-O 3.11Å | ||
| 387 | F | 95 | Very high | 93.2 | Very high | 33 Ų | 33 | 56.8 Ų | 56.8 | 15% | 0.145 | 29% | 0.292 | C | S | . | . | trans | -129.8 | -9.3 | 173.3 | 65.6 | -92.8 | 0 | 0 | 0 | 111.7 | F326 V334 L337 I378 R381 D382 R385 | F326-F387 HydrophobicContact CD1-CB 4.21Å; F326-F387 HydrophobicContact CD1-CD1 4.29Å; F326-F387 HydrophobicContact CD1-CG 4.35Å; F326-F387 HydrophobicContact CE1-CB 4.02Å; F326-F387 AromaticContact CE1-CD1 3.3Å; F326-F387 HydrophobicContact CE1-CD1 3.3Å; F326-F387 AromaticContact CE1-CE1 3.86Å; F326-F387 HydrophobicContact CE1-CE1 3.86Å; F326-F387 AromaticContact CE1-CG 3.72Å; F326-F387 HydrophobicContact CE1-CG 3.72Å; F326-F387 AromaticContact CZ-CD1 3.74Å; F326-F387 HydrophobicContact CZ-CD1 3.74Å; F326-F387 HydrophobicContact CZ-CE1 4.09Å; V334-F387 HydrophobicContact CG1-CB 3.92Å; V334-F387 HydrophobicContact CG1-CD2 3.96Å; V334-F387 HydrophobicContact CG1-CG 4.35Å; L337-F387 HydrophobicContact CB-CE2 4.03Å; I378-F387 HydrophobicContact CD1-CE1 4.19Å; I378-F387 HydrophobicContact CD1-CZ 3.6Å; I378-F387 HydrophobicContact CG1-CZ 3.81Å; R381-F387 HydrophobicContact CB-CE1 4.37Å; D382-F387 HydrophobicContact CB-CD1 4.01Å; D382-F387 HydrophobicContact CB-CE1 3.52Å; D382-F387 HydrophobicContact CB-CZ 4.08Å; D382-F387 WeakPolarHBondContact OD1-CD1 3.34Å; D382-F387 PolarHBondContact OD1-N 3.19Å; R385-F387 WeakPolarHBondContact O-CD1 3.5Å; R385-F387 PolarHBondContact O-N 3.21Å | ||
| 388 | T | 96.5 | Very high | 93 | Very high | 9 Ų | 9 | 57.9 Ų | 57.9 | 6% | 0.055 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -96.4 | 153.4 | 172.4 | 68.4 | 0 | 0 | 0 | 0 | 111.6 | T338 D382 S386 F392 W393 | T338-T388 HydrophobicContact CG2-CG2 4.32Å; D382-T388 VanDerWaalsContact CG-OG1 3.22Å; D382-T388 PolarHBondContact OD1-N 2.91Å; D382-T388 PolarHBondContact OD1-OG1 3.41Å; D382-T388 PolarHBondContact OD2-OG1 3.44Å; S386-T388 PolarHBondContact OG-O 3.11Å; T388-F392 HydrophobicContact CG2-CD1 3.71Å; T388-F392 HydrophobicContact CG2-CE1 3.82Å; T388-F392 HydrophobicContact CG2-CG 4.16Å; T388-F392 HydrophobicContact CG2-CZ 4.34Å; T388-W393 HydrophobicContact CG2-CZ2 4.28Å; T388-W393 PolarHBondContact OG1-NE1 3.03Å |
| 389 | P | 95.1 | Very high | 92.9 | Very high | 86 Ų | 86 | 65.5 Ų | 65.5 | 56% | 0.558 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -69 | 160.9 | 179.2 | 27 | -33.1 | 0 | 0 | 0 | 112.7 | G391 F392 | P389-G391 PolarHBondContact O-N 3.07Å; P389-F392 HydrophobicContact CG-CB 4.11Å; P389-F392 HydrophobicContact CG-CD2 4.17Å; P389-F392 WeakPolarHBondContact O-CB 3.47Å; P389-F392 PolarHBondContact O-N 3.37Å; P389-F392 VanDerWaalsContact O-N 3.09Å |
| 390 | E | 92.6 | Very high | 92.7 | Very high | 204 Ų | 204 | 66 Ų | 66 | 95% | 0.953 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 134.7 | 178.5 | -168.3 | -178.1 | 175.6 | 0 | 0 | 111.8 | F392 | E390-F392 PolarHBondContact O-N 3.29Š|
| 391 | G | 93.2 | Very high | 92.6 | Very high | 35 Ų | 35 | 68.4 Ų | 68.4 | 36% | 0.361 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 6 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | P389 W393 L394 | P389-G391 PolarHBondContact O-N 3.07Å; G391-W393 VanDerWaalsContact C-N 3.31Å; G391-W393 PolarHBondContact O-N 2.9Å; G391-L394 PolarHBondContact O-N 2.96Å |
| 392 | F | 96.9 | Very high | 92.7 | Very high | 33 Ų | 33 | 72.1 Ų | 72.1 | 15% | 0.145 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -43.2 | 179.9 | 173.9 | -96.4 | 0 | 0 | 0 | 113.9 | T338 A341 L342 T388 P389 E390 L394 | T338-F392 HydrophobicContact CG2-CD2 4.22Å; T338-F392 HydrophobicContact CG2-CE2 3.49Å; T338-F392 VanDerWaalsContact CG2-CE2 3.49Å; T338-F392 HydrophobicContact CG2-CZ 3.79Å; T338-F392 WeakPolarHBondContact O-CZ 3.5Å; A341-F392 HydrophobicContact CB-CE1 3.81Å; A341-F392 HydrophobicContact CB-CZ 4.02Å; L342-F392 HydrophobicContact CB-CE2 4.13Å; L342-F392 HydrophobicContact CB-CZ 3.78Å; L342-F392 HydrophobicContact CD1-CE2 4.47Å; T388-F392 HydrophobicContact CG2-CD1 3.71Å; T388-F392 HydrophobicContact CG2-CE1 3.82Å; T388-F392 HydrophobicContact CG2-CG 4.16Å; T388-F392 HydrophobicContact CG2-CZ 4.34Å; P389-F392 HydrophobicContact CG-CB 4.11Å; P389-F392 HydrophobicContact CG-CD2 4.17Å; P389-F392 WeakPolarHBondContact O-CB 3.47Å; P389-F392 PolarHBondContact O-N 3.37Å; P389-F392 VanDerWaalsContact O-N 3.09Å; E390-F392 PolarHBondContact O-N 3.29Å; F392-L394 VanDerWaalsContact C-N 3.27Å; F392-L394 PolarHBondContact O-N 3.31Å |
| 393 | W | 96.9 | Very high | 92.7 | Very high | 22 Ų | 22 | 71.5 Ų | 71.5 | 8% | 0.083 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -16 | -176.6 | -62.2 | 102.6 | 0 | 0 | 0 | 114.3 | A341 N345 L375 I378 Y379 D382 T388 G391 H423 V424 | A341-W393 HydrophobicContact CB-CH2 3.6Å; A341-W393 HydrophobicContact CB-CZ2 4.42Å; A341-W393 HydrophobicContact CB-CZ3 4.04Å; N345-W393 PolarHBondContact ND2-O 3.19Å; L375-W393 HydrophobicContact CD1-CE3 4.34Å; L375-W393 HydrophobicContact CD1-CZ3 3.6Å; I378-W393 HydrophobicContact CG2-CH2 3.98Å; Y379-W393 AromaticContact CD2-CD2 3.71Å; Y379-W393 HydrophobicContact CD2-CD2 3.71Å; Y379-W393 AromaticContact CD2-CE2 3.73Å; Y379-W393 HydrophobicContact CD2-CE3 4.1Å; Y379-W393 HydrophobicContact CD2-CG 4.06Å; Y379-W393 HydrophobicContact CD2-CZ2 4.14Å; Y379-W393 HydrophobicContact CD2-CZ3 4.49Å; Y379-W393 HydrophobicContact CE2-CD2 4.32Å; Y379-W393 HydrophobicContact CE2-CG 4.19Å; D382-W393 HydrophobicContact CB-CZ2 3.83Å; D382-W393 PolarHBondContact OD2-NE1 2.74Å; T388-W393 HydrophobicContact CG2-CZ2 4.28Å; T388-W393 PolarHBondContact OG1-NE1 3.03Å; G391-W393 VanDerWaalsContact C-N 3.31Å; G391-W393 PolarHBondContact O-N 2.9Å; W393-H423 AromaticContact CE3-CD2 3.9Å; W393-V424 WeakPolarHBondContact O-CA 3.5Å |
| 394 | L | 96.5 | Very high | 92.8 | Very high | 66 Ų | 66 | 71.4 Ų | 71.4 | 35% | 0.346 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -80.1 | 137.4 | -174.3 | -57.8 | 178.8 | 0 | 0 | 0 | 111.6 | G391 F392 K396 P426 | G391-L394 PolarHBondContact O-N 2.96Å; F392-L394 VanDerWaalsContact C-N 3.27Å; F392-L394 PolarHBondContact O-N 3.31Å; L394-K396 PolarHBondContact O-N 3.02Å; L394-P426 HydrophobicContact CD2-CG 4.28Å |
| 395 | I | 95.3 | Very high | 93.1 | Very high | 20 Ų | 20 | 70.4 Ų | 70.4 | 10% | 0.103 | 38% | 0.383 | C | S | . | . | trans | -83.3 | 102.1 | 171.8 | -58.9 | -68.4 | 0 | 0 | 0 | 108.9 | L346 F349 D397 L398 V424 | L346-I395 HydrophobicContact CD2-CD1 3.81Å; F349-I395 HydrophobicContact CB-CD1 4.2Å; F349-I395 HydrophobicContact CB-CG1 4.39Å; F349-I395 HydrophobicContact CD1-CD1 3.97Å; F349-I395 HydrophobicContact CD1-CG1 3.94Å; F349-I395 HydrophobicContact CD1-CG2 4.07Å; F349-I395 HydrophobicContact CD2-CG1 4.03Å; F349-I395 HydrophobicContact CE1-CB 4.42Å; F349-I395 HydrophobicContact CE1-CG1 4.26Å; F349-I395 HydrophobicContact CE1-CG2 3.67Å; F349-I395 HydrophobicContact CE2-CG1 4.32Å; F349-I395 HydrophobicContact CG-CD1 4.03Å; F349-I395 HydrophobicContact CG-CG1 3.83Å; F349-I395 HydrophobicContact CZ-CB 4.45Å; F349-I395 HydrophobicContact CZ-CG1 4.43Å; F349-I395 HydrophobicContact CZ-CG2 3.99Å; I395-D397 VanDerWaalsContact C-N 3.27Å; I395-D397 PolarHBondContact O-N 2.93Å; I395-L398 HydrophobicContact CB-CB 4.1Å; I395-L398 HydrophobicContact CG2-CB 3.94Å; I395-L398 WeakPolarHBondContact O-CB 3.35Å; I395-L398 PolarHBondContact O-N 2.75Å; I395-V424 HydrophobicContact CG1-CB 3.87Å; I395-V424 HydrophobicContact CG1-CG1 4.11Å; I395-V424 PolarHBondContact N-O 2.84Å | ||
| 396 | K | 88.6 | Confident | 93.3 | Very high | 194 Ų | 194 | 67.3 Ų | 67.3 | 84% | 0.843 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -34.1 | -173.4 | -64.6 | -178.6 | -179.7 | 178.2 | 0 | 114.1 | L394 L398 | L394-K396 PolarHBondContact O-N 3.02Å; K396-L398 VanDerWaalsContact C-N 3.26Å; K396-L398 PolarHBondContact O-N 2.95Å |
| 397 | D | 87.5 | Confident | 93.4 | Very high | 144 Ų | 144 | 63.5 Ų | 63.5 | 77% | 0.77 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -9 | -178.5 | -57.7 | -35.5 | 0 | 0 | 0 | 113.1 | I395 K399 | I395-D397 VanDerWaalsContact C-N 3.27Å; I395-D397 PolarHBondContact O-N 2.93Å; D397-K399 PolarHBondContact O-N 3.24Å |
| 398 | L | 91.4 | Very high | 93.3 | Very high | 27 Ų | 27 | 66.1 Ų | 66.1 | 14% | 0.141 | 36% | 0.361 | C | S | . | . | trans | -87 | 108.8 | -177.6 | -174.7 | 63.9 | 0 | 0 | 0 | 111.3 | F349 W353 I395 K396 A400 F403 I425 | F349-L398 HydrophobicContact CE2-CD2 3.81Å; F349-L398 HydrophobicContact CZ-CB 4.45Å; F349-L398 HydrophobicContact CZ-CD1 4.17Å; F349-L398 HydrophobicContact CZ-CD2 4.01Å; F349-L398 HydrophobicContact CZ-CG 4.45Å; W353-L398 HydrophobicContact CZ2-CD1 3.74Å; I395-L398 HydrophobicContact CB-CB 4.1Å; I395-L398 HydrophobicContact CG2-CB 3.94Å; I395-L398 WeakPolarHBondContact O-CB 3.35Å; I395-L398 PolarHBondContact O-N 2.75Å; K396-L398 VanDerWaalsContact C-N 3.26Å; K396-L398 PolarHBondContact O-N 2.95Å; L398-A400 PolarHBondContact O-N 2.78Å; L398-A400 VanDerWaalsContact O-N 3.13Å; L398-F403 HydrophobicContact CD1-CB 3.99Å; L398-F403 HydrophobicContact CD1-CD2 4.06Å; L398-F403 HydrophobicContact CD1-CG 4.38Å; L398-F403 HydrophobicContact CD2-CB 4.28Å; L398-F403 HydrophobicContact CD2-CD2 3.87Å; L398-F403 HydrophobicContact CD2-CE2 4.46Å; L398-F403 HydrophobicContact CD2-CG 4.07Å; L398-F403 HydrophobicContact CG-CB 4.14Å; L398-F403 HydrophobicContact CG-CD2 4.41Å; L398-F403 HydrophobicContact CG-CG 4.45Å; L398-I425 HydrophobicContact CD2-CD1 3.34Å | ||
| 399 | K | 92.5 | Very high | 93.2 | Very high | 161 Ų | 161 | 74.7 Ų | 74.7 | 70% | 0.7 | 39% | 0.393 | S | S | * | . | trans | -69.6 | 108.7 | 170.8 | -66.6 | -176 | -178.8 | 179.5 | 0 | 110.4 | D397 A401 T402 F403 | D397-K399 PolarHBondContact O-N 3.24Å; K399-A401 VanDerWaalsContact C-N 3.3Å; K399-A401 PolarHBondContact O-N 2.96Å; K399-T402 PolarHBondContact O-N 3.33Å; K399-T402 VanDerWaalsContact O-N 3.1Å; K399-F403 PolarHBondContact O-N 3.26Å | ||
| 400 | A | 89.9 | Confident | 93.1 | Very high | 25 Ų | 25 | 72.1 Ų | 72.1 | 21% | 0.207 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -54.8 | -40 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L398 T402 F403 L404 E429 | L398-A400 PolarHBondContact O-N 2.78Å; L398-A400 VanDerWaalsContact O-N 3.13Å; A400-T402 PolarHBondContact O-N 3.45Å; A400-F403 PolarHBondContact O-N 3.01Å; A400-L404 WeakPolarHBondContact O-CG 3.15Å; A400-L404 PolarHBondContact O-N 2.87Å; A400-E429 HydrophobicContact CB-CG 4.05Å |
| 401 | A | 90.4 | Very high | 93.3 | Very high | 80 Ų | 80 | 64.1 Ų | 64.1 | 66% | 0.661 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63.4 | -42.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | K399 A405 | K399-A401 VanDerWaalsContact C-N 3.3Å; K399-A401 PolarHBondContact O-N 2.96Å; A401-A405 WeakPolarHBondContact O-CB 3.5Å; A401-A405 PolarHBondContact O-N 3.48Å; A401-A405 VanDerWaalsContact O-N 3.08Å |
| 402 | T | 92.3 | Very high | 93.4 | Very high | 80 Ų | 80 | 67.9 Ų | 67.9 | 49% | 0.491 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.8 | -42.2 | 175.9 | -53.4 | 0 | 0 | 0 | 0 | 110.7 | K399 A400 A405 E406 | K399-T402 PolarHBondContact O-N 3.33Å; K399-T402 VanDerWaalsContact O-N 3.1Å; A400-T402 PolarHBondContact O-N 3.45Å; T402-A405 PolarHBondContact O-N 3.35Å; T402-E406 PolarHBondContact O-N 3.14Å; T402-E406 VanDerWaalsContact O-N 3.14Å |
| 403 | F | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.1 | -48.3 | 177.2 | 178.1 | -94 | 0 | 0 | 0 | 112.1 | W353 L398 K399 A400 A405 E406 V407 A414 I417 I418 I425 | W353-F403 HydrophobicContact CE3-CD2 4.42Å; W353-F403 HydrophobicContact CE3-CE2 4.37Å; W353-F403 AromaticContact CH2-CD2 3.58Å; W353-F403 HydrophobicContact CH2-CD2 3.58Å; W353-F403 HydrophobicContact CH2-CE2 4.2Å; W353-F403 HydrophobicContact CZ2-CD2 4.23Å; W353-F403 AromaticContact CZ3-CD2 3.68Å; W353-F403 HydrophobicContact CZ3-CD2 3.68Å; W353-F403 AromaticContact CZ3-CE2 3.81Å; W353-F403 HydrophobicContact CZ3-CE2 3.81Å; L398-F403 HydrophobicContact CD1-CB 3.99Å; L398-F403 HydrophobicContact CD1-CD2 4.06Å; L398-F403 HydrophobicContact CD1-CG 4.38Å; L398-F403 HydrophobicContact CD2-CB 4.28Å; L398-F403 HydrophobicContact CD2-CD2 3.87Å; L398-F403 HydrophobicContact CD2-CE2 4.46Å; L398-F403 HydrophobicContact CD2-CG 4.07Å; L398-F403 HydrophobicContact CG-CB 4.14Å; L398-F403 HydrophobicContact CG-CD2 4.41Å; L398-F403 HydrophobicContact CG-CG 4.45Å; K399-F403 PolarHBondContact O-N 3.26Å; A400-F403 PolarHBondContact O-N 3.01Å; F403-A405 VanDerWaalsContact C-N 3.31Å; F403-A405 PolarHBondContact O-N 3.46Å; F403-E406 WeakPolarHBondContact O-CB 3.3Å; F403-E406 PolarHBondContact O-N 3.17Å; F403-E406 VanDerWaalsContact O-N 3.09Å; F403-V407 HydrophobicContact CD1-CG2 4.18Å; F403-V407 HydrophobicContact CE1-CG2 3.72Å; F403-V407 HydrophobicContact CZ-CG2 4.07Å; F403-V407 PolarHBondContact O-N 3.45Å; F403-A414 HydrophobicContact CE2-CB 4.07Å; F403-A414 HydrophobicContact CZ-CB 4.33Å; F403-I417 HydrophobicContact CE2-CB 4.01Å; F403-I417 HydrophobicContact CE2-CD1 3.94Å; F403-I417 HydrophobicContact CE2-CG2 3.79Å; F403-I417 HydrophobicContact CZ-CB 3.93Å; F403-I417 HydrophobicContact CZ-CG2 3.59Å; F403-I418 HydrophobicContact CE1-CD1 3.58Å; F403-I418 HydrophobicContact CE1-CG1 3.76Å; F403-I418 HydrophobicContact CZ-CD1 4.01Å; F403-I418 HydrophobicContact CZ-CG1 3.85Å; F403-I425 HydrophobicContact CD1-CD1 3.52Å; F403-I425 HydrophobicContact CD1-CG1 4.07Å; F403-I425 HydrophobicContact CD2-CD1 4.25Å; F403-I425 HydrophobicContact CE1-CD1 3.52Å; F403-I425 HydrophobicContact CE1-CG1 3.67Å; F403-I425 HydrophobicContact CE2-CD1 4.23Å; F403-I425 HydrophobicContact CG-CD1 3.9Å; F403-I425 HydrophobicContact CZ-CD1 3.89Å; F403-I425 HydrophobicContact CZ-CG1 4.14Å |
| 404 | L | 92.8 | Very high | 93.3 | Very high | 28 Ų | 28 | 68.3 Ų | 68.3 | 15% | 0.147 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.1 | -36.3 | 178.2 | -70.4 | 178.6 | 0 | 0 | 0 | 112.4 | A400 E406 V407 D408 E429 L433 | A400-L404 WeakPolarHBondContact O-CG 3.15Å; A400-L404 PolarHBondContact O-N 2.87Å; L404-E406 VanDerWaalsContact C-N 3.28Å; L404-E406 PolarHBondContact O-N 2.74Å; L404-V407 WeakPolarHBondContact O-CB 3.47Å; L404-V407 PolarHBondContact O-N 3.03Å; L404-D408 PolarHBondContact O-N 2.7Å; L404-E429 HydrophobicContact CD1-CB 4.16Å; L404-E429 WeakPolarHBondContact CD1-OE2 3.38Å; L404-L433 HydrophobicContact CD2-CD2 4.28Å |
| 405 | A | 94 | Very high | 93.2 | Very high | 38 Ų | 38 | 68.4 Ų | 68.4 | 31% | 0.314 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.6 | -35.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A401 T402 F403 D408 R409 | A401-A405 WeakPolarHBondContact O-CB 3.5Å; A401-A405 PolarHBondContact O-N 3.48Å; A401-A405 VanDerWaalsContact O-N 3.08Å; T402-A405 PolarHBondContact O-N 3.35Å; F403-A405 VanDerWaalsContact C-N 3.31Å; F403-A405 PolarHBondContact O-N 3.46Å; A405-D408 PolarHBondContact O-N 2.94Å; A405-R409 WeakPolarHBondContact O-CD 3.24Å; A405-R409 VanDerWaalsContact O-CG 3.25Å; A405-R409 WeakPolarHBondContact O-CG 3.32Å; A405-R409 PolarHBondContact O-N 3.26Å; A405-R409 VanDerWaalsContact O-N 3.1Å |
| 406 | E | 95.2 | Very high | 93.2 | Very high | 39 Ų | 39 | 67.8 Ų | 67.8 | 18% | 0.182 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -70.3 | -36.1 | 174 | -70 | -63.1 | 126.7 | 0 | 0 | 112.4 | W353 T402 F403 L404 D408 R409 G410 N411 A414 | W353-E406 HydrophobicContact CH2-CB 4.44Å; W353-E406 HydrophobicContact CH2-CG 4.38Å; T402-E406 PolarHBondContact O-N 3.14Å; T402-E406 VanDerWaalsContact O-N 3.14Å; F403-E406 WeakPolarHBondContact O-CB 3.3Å; F403-E406 PolarHBondContact O-N 3.17Å; F403-E406 VanDerWaalsContact O-N 3.09Å; L404-E406 VanDerWaalsContact C-N 3.28Å; L404-E406 PolarHBondContact O-N 2.74Å; E406-D408 VanDerWaalsContact C-N 3.33Å; E406-R409 PolarHBondContact O-N 3.21Å; E406-R409 IonicContact OE1-CZ 2.72Å; E406-R409 IonicContact OE1-NH1 3.69Å; E406-R409 PolarHBondContact OE1-NH1 3.19Å; E406-G410 PolarHBondContact O-N 2.97Å; E406-N411 HydrophobicContact CB-CB 4.02Å; E406-N411 WeakPolarHBondContact O-CB 3.43Å; E406-N411 PolarHBondContact O-N 2.79Å; E406-N411 PolarHBondContact OE2-ND2 3.08Å; E406-A414 HydrophobicContact CB-CB 3.96Å |
| 407 | V | 94.3 | Very high | 93.5 | Very high | 9 Ų | 9 | 58.6 Ų | 58.6 | 6% | 0.055 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.9 | -46.3 | 171.8 | 176.1 | 0 | 0 | 0 | 0 | 110.3 | F403 L404 R409 G410 A414 I418 L433 | F403-V407 HydrophobicContact CD1-CG2 4.18Å; F403-V407 HydrophobicContact CE1-CG2 3.72Å; F403-V407 HydrophobicContact CZ-CG2 4.07Å; F403-V407 PolarHBondContact O-N 3.45Å; L404-V407 WeakPolarHBondContact O-CB 3.47Å; L404-V407 PolarHBondContact O-N 3.03Å; V407-R409 VanDerWaalsContact C-N 3.29Å; V407-R409 PolarHBondContact O-N 2.94Å; V407-G410 PolarHBondContact O-N 2.94Å; V407-A414 HydrophobicContact CB-CB 4.49Å; V407-A414 HydrophobicContact CG2-CB 3.7Å; V407-I418 HydrophobicContact CG2-CG1 3.78Å; V407-L433 HydrophobicContact CG1-CD1 4.4Å; V407-L433 HydrophobicContact CG1-CD2 4.49Å |
| 408 | D | 92.8 | Very high | 93.9 | Very high | 89 Ų | 89 | 52.2 Ų | 52.2 | 48% | 0.476 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.6 | -32.8 | -179.6 | -74.3 | -19 | 0 | 0 | 0 | 113.2 | L404 A405 E406 G410 K436 | L404-D408 PolarHBondContact O-N 2.7Å; A405-D408 PolarHBondContact O-N 2.94Å; E406-D408 VanDerWaalsContact C-N 3.33Å; D408-G410 PolarHBondContact O-N 3.32Å; D408-K436 IonicContact OD1-NZ 3.79Å; D408-K436 PolarHBondContact OD1-NZ 2.73Å; D408-K436 IonicContact OD2-NZ 3.3Å; D408-K436 PolarHBondContact OD2-NZ 3.38Å |
| 409 | R | 95.1 | Very high | 93.9 | Very high | 188 Ų | 188 | 56.2 Ų | 56.2 | 71% | 0.709 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -4.4 | 173.3 | -71.4 | 167.8 | 180 | 178.5 | -4.1 | 113.5 | A405 E406 V407 | A405-R409 WeakPolarHBondContact O-CD 3.24Å; A405-R409 VanDerWaalsContact O-CG 3.25Å; A405-R409 WeakPolarHBondContact O-CG 3.32Å; A405-R409 PolarHBondContact O-N 3.26Å; A405-R409 VanDerWaalsContact O-N 3.1Å; E406-R409 PolarHBondContact O-N 3.21Å; E406-R409 IonicContact OE1-CZ 2.72Å; E406-R409 IonicContact OE1-NH1 3.69Å; E406-R409 PolarHBondContact OE1-NH1 3.19Å; V407-R409 VanDerWaalsContact C-N 3.29Å; V407-R409 PolarHBondContact O-N 2.94Å |
| 410 | G | 93.3 | Very high | 93.9 | Very high | 32 Ų | 32 | 54.5 Ų | 54.5 | 33% | 0.33 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 27.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | E406 V407 D408 L412 | E406-G410 PolarHBondContact O-N 2.97Å; V407-G410 PolarHBondContact O-N 2.94Å; D408-G410 PolarHBondContact O-N 3.32Å; G410-L412 PolarHBondContact O-N 2.88Å; G410-L412 VanDerWaalsContact O-N 3.16Å |
| 411 | N | 95.8 | Very high | 94.1 | Very high | 36 Ų | 36 | 53.3 Ų | 53.3 | 19% | 0.193 | 28% | 0.276 | C | S | . | . | trans | -62.8 | 118.2 | 176.1 | -170 | -51.6 | 0 | 0 | 0 | 110 | E406 R413 A414 Q415 | E406-N411 HydrophobicContact CB-CB 4.02Å; E406-N411 WeakPolarHBondContact O-CB 3.43Å; E406-N411 PolarHBondContact O-N 2.79Å; E406-N411 PolarHBondContact OE2-ND2 3.08Å; N411-R413 PolarHBondContact O-N 2.74Å; N411-R413 VanDerWaalsContact O-N 3.12Å; N411-R413 WeakPolarHBondContact OD1-CB 3.13Å; N411-R413 PolarHBondContact OD1-N 2.82Å; N411-A414 HydrophobicContact CB-CB 4.08Å; N411-A414 PolarHBondContact O-N 2.96Å; N411-Q415 WeakPolarHBondContact O-CG 3.21Å; N411-Q415 PolarHBondContact O-N 3.15Å | ||
| 412 | L | 95.6 | Very high | 94.3 | Very high | 114 Ų | 114 | 49.8 Ų | 49.8 | 60% | 0.597 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -55.4 | -33.8 | -176.8 | -64.1 | 176.6 | 0 | 0 | 0 | 113.2 | V359 G410 F416 | V359-L412 HydrophobicContact CG2-CB 4.4Å; G410-L412 PolarHBondContact O-N 2.88Å; G410-L412 VanDerWaalsContact O-N 3.16Å; L412-F416 WeakPolarHBondContact O-CB 3.5Å; L412-F416 PolarHBondContact O-N 3.19Å |
| 413 | R | 95.6 | Very high | 94.5 | Very high | 64 Ų | 64 | 46.4 Ų | 46.4 | 24% | 0.242 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.8 | -43.4 | 179.3 | -57.8 | 178.1 | -59.2 | 160 | 6.5 | 111.3 | I352 W353 N355 V359 N411 F416 I417 | I352-R413 HydrophobicContact CG2-CB 3.86Å; I352-R413 HydrophobicContact CG2-CG 4.14Å; I352-R413 WeakPolarHBondContact O-CD 3.38Å; W353-R413 HydrophobicContact CE3-CB 4.44Å; W353-R413 PolarHBondContact O-NH1 3.18Å; N355-R413 PolarHBondContact ND2-NH1 3.32Å; N355-R413 WeakPolarHBondContact OD1-CD 3.14Å; N355-R413 PolarHBondContact OD1-NH1 3.37Å; V359-R413 HydrophobicContact CG2-CG 4.48Å; N411-R413 PolarHBondContact O-N 2.74Å; N411-R413 VanDerWaalsContact O-N 3.12Å; N411-R413 WeakPolarHBondContact OD1-CB 3.13Å; N411-R413 PolarHBondContact OD1-N 2.82Å; R413-F416 PolarHBondContact O-N 3.05Å; R413-I417 WeakPolarHBondContact O-CG1 3.41Å; R413-I417 PolarHBondContact O-N 2.75Å |
| 414 | A | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.1 | -41.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | W353 F403 E406 V407 N411 I417 I418 | W353-A414 HydrophobicContact CZ3-CB 4.07Å; F403-A414 HydrophobicContact CE2-CB 4.07Å; F403-A414 HydrophobicContact CZ-CB 4.33Å; E406-A414 HydrophobicContact CB-CB 3.96Å; V407-A414 HydrophobicContact CB-CB 4.49Å; V407-A414 HydrophobicContact CG2-CB 3.7Å; N411-A414 HydrophobicContact CB-CB 4.08Å; N411-A414 PolarHBondContact O-N 2.96Å; A414-I417 PolarHBondContact O-N 3.28Å; A414-I418 WeakPolarHBondContact O-CG1 3.21Å; A414-I418 PolarHBondContact O-N 3.28Å |
| 415 | Q | 94.9 | Very high | 94.7 | Very high | 69 Ų | 69 | 45.2 Ų | 45.2 | 32% | 0.322 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.4 | -45.1 | 173.7 | -71.4 | -179.6 | -13.8 | 0 | 0 | 111.9 | N411 I417 I418 Q419 | N411-Q415 WeakPolarHBondContact O-CG 3.21Å; N411-Q415 PolarHBondContact O-N 3.15Å; Q415-I417 PolarHBondContact O-N 3.3Å; Q415-I418 PolarHBondContact O-N 3Å; Q415-Q419 WeakPolarHBondContact O-CB 3.34Å; Q415-Q419 VanDerWaalsContact O-CG 3.24Å; Q415-Q419 WeakPolarHBondContact O-CG 3.47Å; Q415-Q419 PolarHBondContact O-N 3.31Å |
| 416 | F | 94.9 | Very high | 94.7 | Very high | 7 Ų | 7 | 45.8 Ų | 45.8 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.3 | -46.6 | 176.4 | 177.1 | -85.2 | 0 | 0 | 0 | 111.9 | I352 V359 F368 L412 R413 I418 Q419 R420 | I352-F416 HydrophobicContact CB-CD1 4.24Å; I352-F416 HydrophobicContact CD1-CD1 4.29Å; I352-F416 HydrophobicContact CD1-CE1 4.22Å; I352-F416 HydrophobicContact CG1-CD1 3.71Å; I352-F416 HydrophobicContact CG1-CE1 3.64Å; I352-F416 HydrophobicContact CG1-CZ 4.37Å; I352-F416 HydrophobicContact CG2-CB 4.4Å; I352-F416 HydrophobicContact CG2-CD1 3.89Å; I352-F416 HydrophobicContact CG2-CG 4.33Å; V359-F416 HydrophobicContact CG1-CB 4.16Å; V359-F416 HydrophobicContact CG1-CD2 3.69Å; V359-F416 HydrophobicContact CG1-CG 4.24Å; V359-F416 HydrophobicContact CG2-CB 3.89Å; V359-F416 HydrophobicContact CG2-CD2 4.48Å; V359-F416 HydrophobicContact CG2-CG 4.27Å; F368-F416 HydrophobicContact CE1-CE1 4.31Å; F368-F416 HydrophobicContact CE1-CE2 4.31Å; F368-F416 AromaticContact CE1-CZ 3.54Å; F368-F416 HydrophobicContact CE1-CZ 3.54Å; F368-F416 AromaticContact CZ-CE1 3.91Å; F368-F416 HydrophobicContact CZ-CE1 3.91Å; F368-F416 AromaticContact CZ-CZ 3.6Å; F368-F416 HydrophobicContact CZ-CZ 3.6Å; L412-F416 WeakPolarHBondContact O-CB 3.5Å; L412-F416 PolarHBondContact O-N 3.19Å; R413-F416 PolarHBondContact O-N 3.05Å; F416-I418 PolarHBondContact O-N 3.03Å; F416-Q419 PolarHBondContact O-N 2.65Å; F416-R420 HydrophobicContact CD2-CG 4.06Å; F416-R420 HydrophobicContact CE1-CB 4.01Å; F416-R420 HydrophobicContact CE1-CG 4.11Å; F416-R420 HydrophobicContact CE2-CB 4.42Å; F416-R420 HydrophobicContact CE2-CG 3.63Å; F416-R420 HydrophobicContact CZ-CB 3.93Å; F416-R420 HydrophobicContact CZ-CG 3.61Å; F416-R420 WeakPolarHBondContact O-CB 3.42Å; F416-R420 PolarHBondContact O-N 3.15Å |
| 417 | I | 95.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.1 | -46.8 | 179.5 | -71.4 | 164.3 | 0 | 0 | 0 | 110.7 | F349 W353 F403 R413 A414 Q415 Q419 R420 I421 V424 | F349-I417 HydrophobicContact CD2-CD1 3.94Å; F349-I417 HydrophobicContact CD2-CG1 4.42Å; F349-I417 HydrophobicContact CE2-CD1 3.77Å; W353-I417 HydrophobicContact CB-CD1 4.16Å; W353-I417 HydrophobicContact CD2-CD1 4.12Å; W353-I417 HydrophobicContact CE3-CD1 3.43Å; W353-I417 VanDerWaalsContact CE3-CD1 3.43Å; W353-I417 HydrophobicContact CG-CD1 4.45Å; W353-I417 HydrophobicContact CZ3-CD1 4.15Å; F403-I417 HydrophobicContact CE2-CB 4.01Å; F403-I417 HydrophobicContact CE2-CD1 3.94Å; F403-I417 HydrophobicContact CE2-CG2 3.79Å; F403-I417 HydrophobicContact CZ-CB 3.93Å; F403-I417 HydrophobicContact CZ-CG2 3.59Å; R413-I417 WeakPolarHBondContact O-CG1 3.41Å; R413-I417 PolarHBondContact O-N 2.75Å; A414-I417 PolarHBondContact O-N 3.28Å; Q415-I417 PolarHBondContact O-N 3.3Å; I417-Q419 VanDerWaalsContact C-N 3.29Å; I417-Q419 PolarHBondContact O-N 2.67Å; I417-R420 PolarHBondContact O-N 3.37Å; I417-I421 HydrophobicContact CB-CG1 4.36Å; I417-I421 HydrophobicContact CG1-CD1 4.3Å; I417-I421 HydrophobicContact CG1-CG1 4.44Å; I417-I421 HydrophobicContact CG2-CD1 4.31Å; I417-I421 HydrophobicContact CG2-CG1 4.08Å; I417-I421 CarbonylContact O-C 3.39Å; I417-I421 WeakPolarHBondContact O-CA 3.47Å; I417-I421 PolarHBondContact O-N 2.78Å; I417-V424 HydrophobicContact CG2-CG2 3.63Å |
| 418 | I | 94.6 | Very high | 94.4 | Very high | 10 Ų | 10 | 54.6 Ų | 54.6 | 5% | 0.051 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.4 | -39.1 | 175.6 | -77.4 | -53.1 | 0 | 0 | 0 | 112 | F403 V407 A414 Q415 F416 P422 I425 L433 L685 | F403-I418 HydrophobicContact CE1-CD1 3.58Å; F403-I418 HydrophobicContact CE1-CG1 3.76Å; F403-I418 HydrophobicContact CZ-CD1 4.01Å; F403-I418 HydrophobicContact CZ-CG1 3.85Å; V407-I418 HydrophobicContact CG2-CG1 3.78Å; A414-I418 WeakPolarHBondContact O-CG1 3.21Å; A414-I418 PolarHBondContact O-N 3.28Å; Q415-I418 PolarHBondContact O-N 3Å; F416-I418 PolarHBondContact O-N 3.03Å; I418-P422 WeakPolarHBondContact O-CB 3.43Å; I418-I425 HydrophobicContact CD1-CG1 4.3Å; I418-L433 HydrophobicContact CD1-CD2 3.9Å; I418-L433 HydrophobicContact CG1-CD2 4.22Å; I418-L433 HydrophobicContact CG2-CD2 4.32Å; I418-L685 HydrophobicContact CD1-CD2 4.43Å; I418-L685 HydrophobicContact CG2-CD2 3.53Å |
| 419 | Q | 92 | Very high | 94.4 | Very high | 111 Ų | 111 | 52.1 Ų | 52.1 | 52% | 0.519 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -79 | -30.3 | -177.2 | -73.1 | 172.9 | -1.5 | 0 | 0 | 114 | Q415 F416 I417 | Q415-Q419 WeakPolarHBondContact O-CB 3.34Å; Q415-Q419 VanDerWaalsContact O-CG 3.24Å; Q415-Q419 WeakPolarHBondContact O-CG 3.47Å; Q415-Q419 PolarHBondContact O-N 3.31Å; F416-Q419 PolarHBondContact O-N 2.65Å; I417-Q419 VanDerWaalsContact C-N 3.29Å; I417-Q419 PolarHBondContact O-N 2.67Å |
| 420 | R | 91.7 | Very high | 94.4 | Very high | 126 Ų | 126 | 43.6 Ų | 43.6 | 48% | 0.475 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -112.1 | -38.1 | -170.6 | -64.2 | -60.7 | -169.6 | 170.9 | 1 | 114.5 | F416 I417 P422 | F416-R420 HydrophobicContact CD2-CG 4.06Å; F416-R420 HydrophobicContact CE1-CB 4.01Å; F416-R420 HydrophobicContact CE1-CG 4.11Å; F416-R420 HydrophobicContact CE2-CB 4.42Å; F416-R420 HydrophobicContact CE2-CG 3.63Å; F416-R420 HydrophobicContact CZ-CB 3.93Å; F416-R420 HydrophobicContact CZ-CG 3.61Å; F416-R420 WeakPolarHBondContact O-CB 3.42Å; F416-R420 PolarHBondContact O-N 3.15Å; I417-R420 PolarHBondContact O-N 3.37Å; R420-P422 VanDerWaalsContact C-CD 3.46Å |
| 421 | I | 95 | Very high | 94.3 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -135.6 | 51.5 | -176.1 | 53 | 159.5 | 0 | 0 | 0 | 112.3 | T348 F349 L375 I417 H423 V424 | T348-I421 HydrophobicContact CG2-CD1 3.98Å; T348-I421 HydrophobicContact CG2-CG1 4.42Å; T348-I421 HydrophobicContact CG2-CG2 3.78Å; F349-I421 HydrophobicContact CB-CD1 3.94Å; F349-I421 HydrophobicContact CD2-CD1 4.31Å; L375-I421 HydrophobicContact CD2-CG2 3.48Å; L375-I421 VanDerWaalsContact CD2-CG2 3.48Å; I417-I421 HydrophobicContact CB-CG1 4.36Å; I417-I421 HydrophobicContact CG1-CD1 4.3Å; I417-I421 HydrophobicContact CG1-CG1 4.44Å; I417-I421 HydrophobicContact CG2-CD1 4.31Å; I417-I421 HydrophobicContact CG2-CG1 4.08Å; I417-I421 CarbonylContact O-C 3.39Å; I417-I421 WeakPolarHBondContact O-CA 3.47Å; I417-I421 PolarHBondContact O-N 2.78Å; I421-H423 PolarHBondContact O-N 3Å; I421-H423 VanDerWaalsContact O-N 3.09Å; I421-V424 HydrophobicContact CB-CG1 4.39Å; I421-V424 HydrophobicContact CD1-CG1 4.07Å; I421-V424 HydrophobicContact CD1-CG2 4.48Å; I421-V424 WeakPolarHBondContact O-CG2 3.48Å; I421-V424 PolarHBondContact O-N 3.09Å | ||
| 422 | P | 95.3 | Very high | 94.1 | Very high | 6 Ų | 6 | 44 Ų | 44 | 4% | 0.039 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -61.4 | -23.8 | -175.4 | 22.4 | -31.9 | 0 | 0 | 0 | 113.8 | I418 R420 V424 I425 R430 K684 L685 | I418-P422 WeakPolarHBondContact O-CB 3.43Å; R420-P422 VanDerWaalsContact C-CD 3.46Å; P422-V424 PolarHBondContact O-N 3.37Å; P422-I425 WeakPolarHBondContact O-CB 3.47Å; P422-I425 PolarHBondContact O-N 2.99Å; P422-R430 WeakPolarHBondContact O-CD 3.18Å; P422-R430 PolarHBondContact O-NE 3.36Å; P422-K684 WeakPolarHBondContact CG-O 3.49Å; P422-L685 HydrophobicContact CB-CD2 4.22Å |
| 423 | H | 95.5 | Very high | 93.9 | Very high | 9 Ų | 9 | 38.8 Ų | 38.8 | 4% | 0.042 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -60 | -17.8 | 179.8 | 55.2 | -97.9 | 0 | 0 | 0 | 114.4 | Y379 W393 I421 I425 | Y379-H423 HydrophobicContact CD2-CB 3.95Å; Y379-H423 AromaticContact CD2-CG 3.9Å; Y379-H423 HydrophobicContact CE1-CB 4.03Å; Y379-H423 HydrophobicContact CE2-CB 3.36Å; Y379-H423 AromaticContact CE2-CG 3.85Å; Y379-H423 VanDerWaalsContact CZ-CB 3.4Å; W393-H423 AromaticContact CE3-CD2 3.9Å; I421-H423 PolarHBondContact O-N 3Å; I421-H423 VanDerWaalsContact O-N 3.09Å; H423-I425 PolarHBondContact O-N 3.32Å |
| 424 | V | 96 | Very high | 93.8 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.012 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -68.3 | -16.9 | 172.6 | -55.8 | 0 | 0 | 0 | 0 | 113.6 | N345 F349 W393 I395 I417 I421 P422 | N345-V424 WeakPolarHBondContact OD1-CG1 3.21Å; F349-V424 HydrophobicContact CD2-CG2 4.21Å; W393-V424 WeakPolarHBondContact O-CA 3.5Å; I395-V424 HydrophobicContact CG1-CB 3.87Å; I395-V424 HydrophobicContact CG1-CG1 4.11Å; I395-V424 PolarHBondContact N-O 2.84Å; I417-V424 HydrophobicContact CG2-CG2 3.63Å; I421-V424 HydrophobicContact CB-CG1 4.39Å; I421-V424 HydrophobicContact CD1-CG1 4.07Å; I421-V424 HydrophobicContact CD1-CG2 4.48Å; I421-V424 WeakPolarHBondContact O-CG2 3.48Å; I421-V424 PolarHBondContact O-N 3.09Å; P422-V424 PolarHBondContact O-N 3.37Å |
| 425 | I | 95.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -100.1 | 136.9 | 178.6 | -51.9 | -56.6 | 0 | 0 | 0 | 109.5 | L398 F403 I418 P422 H423 R427 E429 R430 | L398-I425 HydrophobicContact CD2-CD1 3.34Å; F403-I425 HydrophobicContact CD1-CD1 3.52Å; F403-I425 HydrophobicContact CD1-CG1 4.07Å; F403-I425 HydrophobicContact CD2-CD1 4.25Å; F403-I425 HydrophobicContact CE1-CD1 3.52Å; F403-I425 HydrophobicContact CE1-CG1 3.67Å; F403-I425 HydrophobicContact CE2-CD1 4.23Å; F403-I425 HydrophobicContact CG-CD1 3.9Å; F403-I425 HydrophobicContact CZ-CD1 3.89Å; F403-I425 HydrophobicContact CZ-CG1 4.14Å; I418-I425 HydrophobicContact CD1-CG1 4.3Å; P422-I425 WeakPolarHBondContact O-CB 3.47Å; P422-I425 PolarHBondContact O-N 2.99Å; H423-I425 PolarHBondContact O-N 3.32Å; I425-R427 PolarHBondContact O-N 2.95Å; I425-E429 HydrophobicContact CG2-CB 4.04Å; I425-R430 HydrophobicContact CB-CG 4.1Å; I425-R430 HydrophobicContact CG2-CG 4.11Å; I425-R430 PolarHBondContact O-NE 3.07Å |
| 426 | P | 94.1 | Very high | 93.3 | Very high | 49 Ų | 49 | 41.4 Ų | 41.4 | 32% | 0.318 | 18% | 0.18 | S | C | . | . | trans | -52.5 | 135.3 | 176.8 | -27.8 | 35 | 0 | 0 | 0 | 112.9 | L394 K428 E429 R430 | L394-P426 HydrophobicContact CD2-CG 4.28Å; P426-K428 PolarHBondContact O-N 3.31Å; P426-K428 VanDerWaalsContact O-N 3.14Å; P426-E429 HydrophobicContact CB-CG 4.39Å; P426-E429 PolarHBondContact O-N 2.92Å; P426-R430 PolarHBondContact O-N 2.76Å | ||
| 427 | R | 92.2 | Very high | 93.2 | Very high | 119 Ų | 119 | 43.9 Ų | 43.9 | 45% | 0.449 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -50.2 | -42.2 | -178.5 | -175 | 177.9 | 69.7 | -167.6 | 2.2 | 113.3 | I425 E429 R430 I431 E690 | I425-R427 PolarHBondContact O-N 2.95Å; R427-E429 VanDerWaalsContact C-N 3.28Å; R427-E429 PolarHBondContact O-N 3.43Å; R427-R430 PolarHBondContact O-N 3.39Å; R427-I431 HydrophobicContact CG-CD1 3.94Å; R427-I431 HydrophobicContact CG-CG1 4.44Å; R427-I431 WeakPolarHBondContact O-CG1 3.38Å; R427-I431 PolarHBondContact O-N 3.27Å; R427-E690 WeakPolarHBondContact CD-OE1 3.25Å; R427-E690 HydrophobicContact CG-CG 4.46Å; R427-E690 WeakPolarHBondContact CG-OE1 3.41Å |
| 428 | K | 90.9 | Very high | 92.9 | Very high | 114 Ų | 114 | 44.8 Ų | 44.8 | 50% | 0.496 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -56.1 | -42.2 | 178 | 177.2 | 168.8 | -175.7 | 177.7 | 0 | 112.5 | P426 K432 L756 | P426-K428 PolarHBondContact O-N 3.31Å; P426-K428 VanDerWaalsContact O-N 3.14Å; K428-K432 WeakPolarHBondContact O-CG 3.37Å; K428-K432 PolarHBondContact O-N 2.94Å; K428-L756 HydrophobicContact CB-CD2 4.02Å; K428-L756 HydrophobicContact CD-CD2 4.14Å; K428-L756 HydrophobicContact CG-CD1 4Å; K428-L756 HydrophobicContact CG-CD2 3.68Å; K428-L756 HydrophobicContact CG-CG 4.5Å |
| 429 | E | 93.2 | Very high | 92.5 | Very high | 38 Ų | 38 | 47.9 Ų | 47.9 | 18% | 0.178 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -74 | -35.3 | -179.2 | -61.4 | -50 | 131.7 | 0 | 0 | 111.4 | A400 L404 I425 P426 R427 K432 L433 | A400-E429 HydrophobicContact CB-CG 4.05Å; L404-E429 HydrophobicContact CD1-CB 4.16Å; L404-E429 WeakPolarHBondContact CD1-OE2 3.38Å; I425-E429 HydrophobicContact CG2-CB 4.04Å; P426-E429 HydrophobicContact CB-CG 4.39Å; P426-E429 PolarHBondContact O-N 2.92Å; R427-E429 VanDerWaalsContact C-N 3.28Å; R427-E429 PolarHBondContact O-N 3.43Å; E429-K432 PolarHBondContact O-N 3.19Å; E429-K432 IonicContact OE1-NZ 2.73Å; E429-K432 PolarHBondContact OE1-NZ 3.34Å; E429-K432 WeakPolarHBondContact OE2-CD 3.28Å; E429-K432 IonicContact OE2-NZ 3.11Å; E429-K432 PolarHBondContact OE2-NZ 3.37Å; E429-L433 WeakPolarHBondContact O-CB 3.4Å; E429-L433 PolarHBondContact O-N 3.18Å |
| 430 | R | 94.2 | Very high | 92.4 | Very high | 8 Ų | 8 | 46.1 Ų | 46.1 | 3% | 0.03 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.5 | -40.7 | 172.3 | -67.3 | -172.3 | -83.7 | 115 | -1.6 | 113.1 | P422 I425 P426 R427 L433 F434 L685 F686 E690 | P422-R430 WeakPolarHBondContact O-CD 3.18Å; P422-R430 PolarHBondContact O-NE 3.36Å; I425-R430 HydrophobicContact CB-CG 4.1Å; I425-R430 HydrophobicContact CG2-CG 4.11Å; I425-R430 PolarHBondContact O-NE 3.07Å; P426-R430 PolarHBondContact O-N 2.76Å; R427-R430 PolarHBondContact O-N 3.39Å; R430-L433 PolarHBondContact O-N 2.89Å; R430-F434 WeakPolarHBondContact O-CB 3.34Å; R430-F434 PolarHBondContact O-N 3.35Å; R430-L685 WeakPolarHBondContact CD-O 3.28Å; R430-L685 PolarHBondContact NH1-O 2.91Å; R430-F686 HydrophobicContact CB-CE1 3.73Å; R430-F686 HydrophobicContact CB-CZ 4.3Å; R430-E690 IonicContact CZ-OE1 3.84Å; R430-E690 IonicContact CZ-OE2 3.24Å; R430-E690 IonicContact NH1-OE1 3.64Å; R430-E690 PolarHBondContact NH1-OE1 3.2Å; R430-E690 IonicContact NH1-OE2 2.61Å; R430-E690 PolarHBondContact NH1-OE2 2.97Å; R430-E690 IonicContact NH2-OE1 2.81Å; R430-E690 PolarHBondContact NH2-OE1 2.69Å; R430-E690 IonicContact NH2-OE2 3.78Å; R430-E690 PolarHBondContact NH2-OE2 3.23Å |
| 431 | I | 91.7 | Very high | 92.2 | Very high | 5 Ų | 5 | 42.5 Ų | 42.5 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.4 | -44 | 175.2 | -68.1 | 164.7 | 0 | 0 | 0 | 110.8 | R427 L433 F434 R435 F686 I694 L755 L756 | R427-I431 HydrophobicContact CG-CD1 3.94Å; R427-I431 HydrophobicContact CG-CG1 4.44Å; R427-I431 WeakPolarHBondContact O-CG1 3.38Å; R427-I431 PolarHBondContact O-N 3.27Å; I431-L433 VanDerWaalsContact C-N 3.33Å; I431-L433 PolarHBondContact O-N 3.3Å; I431-F434 PolarHBondContact O-N 3.47Å; I431-R435 WeakPolarHBondContact O-CG 3.24Å; I431-R435 PolarHBondContact O-N 3.18Å; I431-F686 HydrophobicContact CG1-CE1 3.89Å; I431-F686 HydrophobicContact CG1-CZ 4.31Å; I431-I694 HydrophobicContact CG1-CD1 4.24Å; I431-I694 HydrophobicContact CG1-CG1 4.34Å; I431-L755 HydrophobicContact CD1-CD1 3.86Å; I431-L756 HydrophobicContact CB-CD1 4.03Å; I431-L756 HydrophobicContact CD1-CD2 4.42Å; I431-L756 HydrophobicContact CD1-CG 4.43Å; I431-L756 HydrophobicContact CG2-CD1 3.7Å; I431-L756 HydrophobicContact CG2-CG 4.24Å |
| 432 | K | 90.9 | Very high | 91.6 | Very high | 71 Ų | 71 | 47.6 Ų | 47.6 | 31% | 0.309 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.7 | -43.2 | 175.1 | -70.8 | 171.6 | -178.4 | 170.3 | 0 | 111.7 | K428 E429 R435 K436 L756 | K428-K432 WeakPolarHBondContact O-CG 3.37Å; K428-K432 PolarHBondContact O-N 2.94Å; E429-K432 PolarHBondContact O-N 3.19Å; E429-K432 IonicContact OE1-NZ 2.73Å; E429-K432 PolarHBondContact OE1-NZ 3.34Å; E429-K432 WeakPolarHBondContact OE2-CD 3.28Å; E429-K432 IonicContact OE2-NZ 3.11Å; E429-K432 PolarHBondContact OE2-NZ 3.37Å; K432-R435 PolarHBondContact O-N 2.99Å; K432-K436 WeakPolarHBondContact O-CB 3.36Å; K432-K436 PolarHBondContact O-N 3.04Å; K432-L756 HydrophobicContact CG-CD1 4.26Å |
| 433 | L | 93.1 | Very high | 91 | Very high | 6 Ų | 6 | 52.4 Ų | 52.4 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.2 | -45.6 | 177.4 | -175.6 | 62.4 | 0 | 0 | 0 | 111.7 | L404 V407 I418 E429 R430 I431 R435 K436 Y437 | L404-L433 HydrophobicContact CD2-CD2 4.28Å; V407-L433 HydrophobicContact CG1-CD1 4.4Å; V407-L433 HydrophobicContact CG1-CD2 4.49Å; I418-L433 HydrophobicContact CD1-CD2 3.9Å; I418-L433 HydrophobicContact CG1-CD2 4.22Å; I418-L433 HydrophobicContact CG2-CD2 4.32Å; E429-L433 WeakPolarHBondContact O-CB 3.4Å; E429-L433 PolarHBondContact O-N 3.18Å; R430-L433 PolarHBondContact O-N 2.89Å; I431-L433 VanDerWaalsContact C-N 3.33Å; I431-L433 PolarHBondContact O-N 3.3Å; L433-R435 PolarHBondContact O-N 3.38Å; L433-K436 WeakPolarHBondContact O-CB 3.25Å; L433-K436 PolarHBondContact O-N 3.3Å; L433-Y437 HydrophobicContact CD1-CE1 3.85Å; L433-Y437 HydrophobicContact CD1-CE2 4.1Å; L433-Y437 HydrophobicContact CD2-CE2 4.09Å; L433-Y437 HydrophobicContact CG-CD2 4.35Å; L433-Y437 HydrophobicContact CG-CE1 4.34Å; L433-Y437 HydrophobicContact CG-CE2 3.67Å; L433-Y437 PolarHBondContact O-N 3.41Å |
| 434 | F | 92.9 | Very high | 90.4 | Very high | 24 Ų | 24 | 54.5 Ų | 54.5 | 11% | 0.105 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.4 | -49.5 | 174.7 | 174 | -99.5 | 0 | 0 | 0 | 112.1 | R430 I431 K436 Y437 V438 I678 W682 L683 L685 F686 I694 | R430-F434 WeakPolarHBondContact O-CB 3.34Å; R430-F434 PolarHBondContact O-N 3.35Å; I431-F434 PolarHBondContact O-N 3.47Å; F434-K436 VanDerWaalsContact C-N 3.3Å; F434-K436 PolarHBondContact O-N 3.09Å; F434-Y437 WeakPolarHBondContact O-CB 3.4Å; F434-Y437 PolarHBondContact O-N 2.93Å; F434-Y437 VanDerWaalsContact O-N 3.12Å; F434-V438 HydrophobicContact CD1-CG2 4.41Å; F434-V438 HydrophobicContact CE1-CG2 3.95Å; F434-V438 HydrophobicContact CE2-CG2 4.17Å; F434-V438 HydrophobicContact CZ-CG2 3.81Å; F434-V438 WeakPolarHBondContact O-CG2 3.25Å; F434-V438 PolarHBondContact O-N 2.91Å; F434-I678 HydrophobicContact CE2-CG2 4.27Å; F434-I678 HydrophobicContact CZ-CG2 4.41Å; F434-W682 HydrophobicContact CD2-CB 3.78Å; F434-W682 HydrophobicContact CE2-CB 3.91Å; F434-W682 HydrophobicContact CE2-CE3 4.46Å; F434-L683 HydrophobicContact CE2-CD2 4.43Å; F434-L685 HydrophobicContact CB-CD1 4.14Å; F434-F686 HydrophobicContact CB-CE2 3.77Å; F434-F686 HydrophobicContact CB-CZ 3.66Å; F434-F686 AromaticContact CD2-CE2 3.86Å; F434-F686 HydrophobicContact CD2-CE2 3.86Å; F434-F686 AromaticContact CG-CE2 3.81Å; F434-F686 HydrophobicContact CG-CE2 3.81Å; F434-F686 HydrophobicContact CG-CZ 4.15Å; F434-I694 HydrophobicContact CE1-CG2 4.29Å |
| 435 | R | 89.3 | Confident | 89.6 | Confident | 63 Ų | 63 | 56.2 Ų | 56.2 | 24% | 0.238 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.3 | -43.1 | 176.4 | -74 | 178.4 | 174.9 | 152.4 | 1.1 | 111.5 | I431 K432 L433 Y437 V438 T439 L755 Y760 | I431-R435 WeakPolarHBondContact O-CG 3.24Å; I431-R435 PolarHBondContact O-N 3.18Å; K432-R435 PolarHBondContact O-N 2.99Å; L433-R435 PolarHBondContact O-N 3.38Å; R435-Y437 VanDerWaalsContact C-N 3.33Å; R435-Y437 PolarHBondContact O-N 3.21Å; R435-V438 PolarHBondContact O-N 2.99Å; R435-T439 WeakPolarHBondContact O-CB 3.25Å; R435-T439 PolarHBondContact O-N 3.04Å; R435-T439 PolarHBondContact O-OG1 2.94Å; R435-L755 PolarHBondContact NH1-O 3.46Å; R435-L755 PolarHBondContact NH2-O 3.39Å; R435-Y760 VanDerWaalsContact NH1-CD1 3.29Å |
| 436 | K | 91.3 | Very high | 88.5 | Confident | 100 Ų | 100 | 59.1 Ų | 59.1 | 44% | 0.435 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58 | -43.6 | 175.5 | -175.3 | -176.2 | 179.5 | -176.5 | 0 | 111.9 | D408 K432 L433 F434 S440 | D408-K436 IonicContact OD1-NZ 3.79Å; D408-K436 PolarHBondContact OD1-NZ 2.73Å; D408-K436 IonicContact OD2-NZ 3.3Å; D408-K436 PolarHBondContact OD2-NZ 3.38Å; K432-K436 WeakPolarHBondContact O-CB 3.36Å; K432-K436 PolarHBondContact O-N 3.04Å; L433-K436 WeakPolarHBondContact O-CB 3.25Å; L433-K436 PolarHBondContact O-N 3.3Å; F434-K436 VanDerWaalsContact C-N 3.3Å; F434-K436 PolarHBondContact O-N 3.09Å; K436-S440 VanDerWaalsContact O-CB 3.3Å; K436-S440 WeakPolarHBondContact O-CB 3.06Å; K436-S440 PolarHBondContact O-N 3.19Å |
| 437 | Y | 92 | Very high | 87.5 | Confident | 60 Ų | 60 | 62.2 Ų | 62.2 | 24% | 0.235 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.9 | -47.1 | 176.5 | -65.2 | -30.5 | 0 | 0 | 0 | 112.3 | L433 F434 R435 T439 S440 E441 W682 L685 | L433-Y437 HydrophobicContact CD1-CE1 3.85Å; L433-Y437 HydrophobicContact CD1-CE2 4.1Å; L433-Y437 HydrophobicContact CD2-CE2 4.09Å; L433-Y437 HydrophobicContact CG-CD2 4.35Å; L433-Y437 HydrophobicContact CG-CE1 4.34Å; L433-Y437 HydrophobicContact CG-CE2 3.67Å; L433-Y437 PolarHBondContact O-N 3.41Å; F434-Y437 WeakPolarHBondContact O-CB 3.4Å; F434-Y437 PolarHBondContact O-N 2.93Å; F434-Y437 VanDerWaalsContact O-N 3.12Å; R435-Y437 VanDerWaalsContact C-N 3.33Å; R435-Y437 PolarHBondContact O-N 3.21Å; Y437-T439 PolarHBondContact O-N 2.88Å; Y437-S440 PolarHBondContact O-N 3.34Å; Y437-E441 PolarHBondContact O-N 3.49Å; Y437-W682 AromaticContact CD2-CD1 3.62Å; Y437-W682 HydrophobicContact CD2-CD2 4.46Å; Y437-W682 AromaticContact CD2-CG 3.98Å; Y437-W682 HydrophobicContact CD2-CG 3.98Å; Y437-W682 AromaticContact CD2-NE1 3.93Å; Y437-L685 HydrophobicContact CE2-CD1 4.41Å |
| 438 | V | 89.1 | Confident | 86.5 | Confident | 19 Ų | 19 | 60.6 Ų | 60.6 | 12% | 0.115 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.7 | -46.5 | 177.4 | 175.1 | 0 | 0 | 0 | 0 | 111.1 | F434 R435 E441 R442 W682 | F434-V438 HydrophobicContact CD1-CG2 4.41Å; F434-V438 HydrophobicContact CE1-CG2 3.95Å; F434-V438 HydrophobicContact CE2-CG2 4.17Å; F434-V438 HydrophobicContact CZ-CG2 3.81Å; F434-V438 WeakPolarHBondContact O-CG2 3.25Å; F434-V438 PolarHBondContact O-N 2.91Å; R435-V438 PolarHBondContact O-N 2.99Å; V438-E441 PolarHBondContact O-N 3.06Å; V438-R442 HydrophobicContact CG1-CG 4.49Å; V438-R442 WeakPolarHBondContact O-CB 3.44Å; V438-R442 VanDerWaalsContact O-CG 3.3Å; V438-R442 WeakPolarHBondContact O-CG 3.44Å; V438-R442 PolarHBondContact O-N 3.27Å; V438-W682 HydrophobicContact CG2-CE3 4.07Å; V438-W682 HydrophobicContact CG2-CZ3 3.99Å |
| 439 | T | 87.4 | Confident | 85.5 | Confident | 74 Ų | 74 | 57.5 Ų | 57.5 | 45% | 0.454 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 177.8 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | R435 Y437 E441 R442 L443 | R435-T439 WeakPolarHBondContact O-CB 3.25Å; R435-T439 PolarHBondContact O-N 3.04Å; R435-T439 PolarHBondContact O-OG1 2.94Å; Y437-T439 PolarHBondContact O-N 2.88Å; T439-E441 PolarHBondContact O-N 3.46Å; T439-R442 PolarHBondContact O-N 2.9Å; T439-L443 HydrophobicContact CG2-CD1 4.12Å; T439-L443 HydrophobicContact CG2-CG 4.46Å; T439-L443 WeakPolarHBondContact O-CG 3.18Å; T439-L443 PolarHBondContact O-N 3.39Å |
| 440 | S | 89.1 | Confident | 84.2 | Confident | 75 Ų | 75 | 62.8 Ų | 62.8 | 52% | 0.524 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 178.3 | -171.3 | 0 | 0 | 0 | 0 | 112 | K436 Y437 L443 S444 | K436-S440 VanDerWaalsContact O-CB 3.3Å; K436-S440 WeakPolarHBondContact O-CB 3.06Å; K436-S440 PolarHBondContact O-N 3.19Å; Y437-S440 PolarHBondContact O-N 3.34Å; S440-L443 PolarHBondContact O-N 2.9Å; S440-S444 PolarHBondContact O-N 3.49Å; S440-S444 PolarHBondContact O-OG 3.04Å |
| 441 | E | 88 | Confident | 82.8 | Confident | 50 Ų | 50 | 69.3 Ų | 69.3 | 23% | 0.234 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -69.8 | -38.2 | 177.8 | -168.1 | -173 | -127.1 | 0 | 0 | 112 | Y437 V438 T439 L443 S444 N445 K482 W682 | Y437-E441 PolarHBondContact O-N 3.49Å; V438-E441 PolarHBondContact O-N 3.06Å; T439-E441 PolarHBondContact O-N 3.46Å; E441-L443 VanDerWaalsContact C-N 3.32Å; E441-L443 PolarHBondContact O-N 3.31Å; E441-S444 WeakPolarHBondContact CA-OG 3.36Å; E441-S444 PolarHBondContact O-N 2.9Å; E441-S444 PolarHBondContact O-OG 3.1Å; E441-N445 WeakPolarHBondContact O-CB 3.38Å; E441-N445 VanDerWaalsContact O-CG 3.26Å; E441-N445 PolarHBondContact O-N 3.26Å; E441-N445 PolarHBondContact O-ND2 3.15Å; E441-K482 IonicContact OE1-NZ 2.64Å; E441-K482 PolarHBondContact OE1-NZ 3.41Å; E441-K482 IonicContact OE2-NZ 2.65Å; E441-K482 PolarHBondContact OE2-NZ 3.05Å; E441-W682 HydrophobicContact CB-CH2 3.85Å; E441-W682 HydrophobicContact CG-CH2 4.26Å |
| 442 | R | 82.2 | Confident | 81.5 | Confident | 106 Ų | 106 | 74.3 Ų | 74.3 | 40% | 0.4 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60 | -43.5 | 173.9 | -76.2 | 177.4 | 178.9 | -173.8 | -0.7 | 111.5 | V438 T439 N445 T446 | V438-R442 HydrophobicContact CG1-CG 4.49Å; V438-R442 WeakPolarHBondContact O-CB 3.44Å; V438-R442 VanDerWaalsContact O-CG 3.3Å; V438-R442 WeakPolarHBondContact O-CG 3.44Å; V438-R442 PolarHBondContact O-N 3.27Å; T439-R442 PolarHBondContact O-N 2.9Å; R442-N445 PolarHBondContact O-N 3.23Å; R442-T446 WeakPolarHBondContact O-CB 3.35Å; R442-T446 PolarHBondContact O-N 2.93Å; R442-T446 PolarHBondContact O-OG1 3.42Å |
| 443 | L | 82.8 | Confident | 80.2 | Confident | 107 Ų | 107 | 80.8 Ų | 80.8 | 56% | 0.56 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -65.2 | -44.9 | 177.8 | -71.2 | 171.2 | 0 | 0 | 0 | 111.9 | T439 S440 E441 N445 T446 L447 | T439-L443 HydrophobicContact CG2-CD1 4.12Å; T439-L443 HydrophobicContact CG2-CG 4.46Å; T439-L443 WeakPolarHBondContact O-CG 3.18Å; T439-L443 PolarHBondContact O-N 3.39Å; S440-L443 PolarHBondContact O-N 2.9Å; E441-L443 VanDerWaalsContact C-N 3.32Å; E441-L443 PolarHBondContact O-N 3.31Å; L443-N445 PolarHBondContact O-N 3.26Å; L443-T446 PolarHBondContact O-N 3.21Å; L443-L447 WeakPolarHBondContact O-CG 3.31Å; L443-L447 PolarHBondContact O-N 3.4Å; L443-L447 VanDerWaalsContact O-N 3.08Å |
| 444 | S | 83.1 | Confident | 79 | Confident | 54 Ų | 54 | 88.2 Ų | 88.2 | 38% | 0.378 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 177.1 | 58.3 | 0 | 0 | 0 | 0 | 111.9 | S440 E441 T446 L447 T448 | S440-S444 PolarHBondContact O-N 3.49Å; S440-S444 PolarHBondContact O-OG 3.04Å; E441-S444 WeakPolarHBondContact CA-OG 3.36Å; E441-S444 PolarHBondContact O-N 2.9Å; E441-S444 PolarHBondContact O-OG 3.1Å; S444-T446 VanDerWaalsContact C-N 3.34Å; S444-T446 PolarHBondContact O-N 3.06Å; S444-L447 PolarHBondContact O-N 2.94Å; S444-T448 PolarHBondContact O-N 3.4Å; S444-T448 VanDerWaalsContact O-N 3.08Å; S444-T448 PolarHBondContact O-OG1 3.25Å; S444-T448 VanDerWaalsContact O-OG1 3.09Å |
| 445 | N | 79.2 | Confident | 78.2 | Confident | 37 Ų | 37 | 93.5 Ų | 93.5 | 20% | 0.198 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -65.8 | -36.5 | 178.4 | -71.2 | -19.2 | 0 | 0 | 0 | 112.5 | E441 R442 L443 T448 R449 K482 | E441-N445 WeakPolarHBondContact O-CB 3.38Å; E441-N445 VanDerWaalsContact O-CG 3.26Å; E441-N445 PolarHBondContact O-N 3.26Å; E441-N445 PolarHBondContact O-ND2 3.15Å; R442-N445 PolarHBondContact O-N 3.23Å; L443-N445 PolarHBondContact O-N 3.26Å; N445-T448 PolarHBondContact O-N 3.43Å; N445-R449 WeakPolarHBondContact O-CB 3.43Å; N445-R449 WeakPolarHBondContact O-CG 3.35Å; N445-R449 PolarHBondContact O-N 3.41Å; N445-K482 WeakPolarHBondContact ND2-CD 3.39Å |
| 446 | T | 72.9 | Confident | 78.1 | Confident | 63 Ų | 63 | 91.4 Ų | 91.4 | 39% | 0.387 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 176.8 | -57.3 | 0 | 0 | 0 | 0 | 111 | R442 L443 S444 R449 Q450 | R442-T446 WeakPolarHBondContact O-CB 3.35Å; R442-T446 PolarHBondContact O-N 2.93Å; R442-T446 PolarHBondContact O-OG1 3.42Å; L443-T446 PolarHBondContact O-N 3.21Å; S444-T446 VanDerWaalsContact C-N 3.34Å; S444-T446 PolarHBondContact O-N 3.06Å; T446-R449 PolarHBondContact O-N 3.23Å; T446-Q450 WeakPolarHBondContact O-CG 3.22Å; T446-Q450 PolarHBondContact O-N 3.44Å |
| 447 | L | 71.3 | Confident | 78 | Confident | 114 Ų | 114 | 90.3 Ų | 90.3 | 60% | 0.597 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -63.6 | -43.6 | 176.7 | -70 | 168.3 | 0 | 0 | 0 | 112.1 | L443 S444 R449 Q450 | L443-L447 WeakPolarHBondContact O-CG 3.31Å; L443-L447 PolarHBondContact O-N 3.4Å; L443-L447 VanDerWaalsContact O-N 3.08Å; S444-L447 PolarHBondContact O-N 2.94Å; L447-R449 VanDerWaalsContact C-N 3.34Å; L447-R449 PolarHBondContact O-N 3.13Å; L447-Q450 PolarHBondContact O-N 2.9Å |
| 448 | T | 71.4 | Confident | 78 | Confident | 85 Ų | 85 | 87.7 Ų | 87.7 | 52% | 0.521 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 176.1 | -52.9 | 0 | 0 | 0 | 0 | 111.5 | S444 N445 L451 | S444-T448 PolarHBondContact O-N 3.4Å; S444-T448 VanDerWaalsContact O-N 3.08Å; S444-T448 PolarHBondContact O-OG1 3.25Å; S444-T448 VanDerWaalsContact O-OG1 3.09Å; N445-T448 PolarHBondContact O-N 3.43Å; T448-L451 WeakPolarHBondContact O-CB 3.45Å; T448-L451 PolarHBondContact O-N 2.9Å |
| 449 | R | 70.2 | Confident | 78.1 | Confident | 48 Ų | 48 | 89.1 Ų | 89.1 | 18% | 0.181 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -77.7 | -21.8 | -179.2 | -72.6 | -167.9 | 70.7 | 178.1 | -1.4 | 114.5 | N445 T446 L447 L451 D452 Q454 T456 V480 | N445-R449 WeakPolarHBondContact O-CB 3.43Å; N445-R449 WeakPolarHBondContact O-CG 3.35Å; N445-R449 PolarHBondContact O-N 3.41Å; T446-R449 PolarHBondContact O-N 3.23Å; L447-R449 VanDerWaalsContact C-N 3.34Å; L447-R449 PolarHBondContact O-N 3.13Å; R449-L451 PolarHBondContact O-N 2.99Å; R449-L451 VanDerWaalsContact O-N 3.16Å; R449-D452 CarbonylContact O-C 3.49Å; R449-D452 WeakPolarHBondContact O-CA 3.45Å; R449-D452 PolarHBondContact O-N 3.32Å; R449-Q454 PolarHBondContact NH2-O 3.49Å; R449-Q454 VanDerWaalsContact NH2-O 3.08Å; R449-T456 PolarHBondContact NH2-OG1 2.93Å; R449-V480 PolarHBondContact NH1-O 3.25Å |
| 450 | Q | 65.8 | Low | 78.4 | Confident | 149 Ų | 149 | 85.6 Ų | 85.6 | 70% | 0.696 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -60.8 | -20.7 | 170.4 | -81 | -179.3 | -16.1 | 0 | 0 | 112.5 | T446 L447 | T446-Q450 WeakPolarHBondContact O-CG 3.22Å; T446-Q450 PolarHBondContact O-N 3.44Å; L447-Q450 PolarHBondContact O-N 2.9Å |
| 451 | L | 64.8 | Low | 78.6 | Confident | 146 Ų | 146 | 84.5 Ų | 84.5 | 76% | 0.764 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -79.1 | -32 | 171.8 | -58.3 | 169 | 0 | 0 | 0 | 112.2 | T448 R449 | T448-L451 WeakPolarHBondContact O-CB 3.45Å; T448-L451 PolarHBondContact O-N 2.9Å; R449-L451 PolarHBondContact O-N 2.99Å; R449-L451 VanDerWaalsContact O-N 3.16Å |
| 452 | D | 64 | Low | 78.6 | Confident | 109 Ų | 109 | 85 Ų | 85 | 58% | 0.583 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -89.2 | 105.2 | 176.3 | -78.5 | -27.4 | 0 | 0 | 0 | 111.1 | R449 Q454 | R449-D452 CarbonylContact O-C 3.49Å; R449-D452 WeakPolarHBondContact O-CA 3.45Å; R449-D452 PolarHBondContact O-N 3.32Å; D452-Q454 PolarHBondContact O-N 3.49Å |
| 453 | K | 64.2 | Low | 78.9 | Confident | 208 Ų | 208 | 84.2 Ų | 84.2 | 90% | 0.904 | 44% | 0.436 | S | S | * | . | trans | -64.7 | 9.5 | -179.1 | -66.6 | -177.8 | 178.4 | 178.1 | 0 | 115.5 | ||||
| 454 | Q | 67.8 | Low | 79.3 | Confident | 162 Ų | 162 | 84.5 Ų | 84.5 | 76% | 0.757 | 43% | 0.43 | S | S | * | . | trans | -92.6 | 104.7 | -178 | -70.2 | -174.5 | -10 | 0 | 0 | 111.6 | R449 D452 | R449-Q454 PolarHBondContact NH2-O 3.49Å; R449-Q454 VanDerWaalsContact NH2-O 3.08Å; D452-Q454 PolarHBondContact O-N 3.49Å | ||
| 455 | Q | 77.1 | Confident | 79.8 | Confident | 134 Ų | 134 | 82.6 Ų | 82.6 | 63% | 0.626 | 42% | 0.415 | S | S | * | . | trans | -74.5 | 134.2 | 167.4 | -65 | -177.2 | 5.2 | 0 | 0 | 109.7 | V457 | Q455-V457 HydrophobicContact CB-CG2 4.36Š| ||
| 456 | T | 87 | Confident | 80.4 | Confident | 20 Ų | 20 | 81.6 Ų | 81.6 | 12% | 0.123 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 107.9 | 173.6 | -51.5 | 0 | 0 | 0 | 0 | 108.3 | R449 L476 V480 V485 R486 | R449-T456 PolarHBondContact NH2-OG1 2.93Å; T456-L476 HydrophobicContact CG2-CD1 3.68Å; T456-V480 HydrophobicContact CG2-CG1 4.36Å; T456-V480 WeakPolarHBondContact OG1-CG1 3.43Å; T456-V485 HydrophobicContact CG2-CG1 4.24Å; T456-V485 HydrophobicContact CG2-CG2 4.21Å; T456-R486 PolarHBondContact O-N 2.99Å |
| 457 | V | 88.6 | Confident | 81.4 | Confident | 77 Ų | 77 | 83.5 Ų | 83.5 | 47% | 0.467 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 128.2 | 177.4 | -173.1 | 0 | 0 | 0 | 0 | 108.1 | Q455 R486 | Q455-V457 HydrophobicContact CB-CG2 4.36Å; V457-R486 CarbonylContact C-O 3.28Å; V457-R486 WeakPolarHBondContact CA-O 3.33Å; V457-R486 HydrophobicContact CG1-CB 4.39Å; V457-R486 HydrophobicContact CG2-CB 4.21Å |
| 458 | I | 91.7 | Very high | 82.5 | Confident | 4 Ų | 4 | 78.2 Ų | 78.2 | 2% | 0.021 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 147.9 | 174.3 | 63.5 | 169.9 | 0 | 0 | 0 | 110.4 | V460 Q472 L473 V485 R486 V487 K488 F509 | I458-V460 HydrophobicContact CD1-CG2 3.77Å; I458-V460 HydrophobicContact CG1-CG2 4.05Å; I458-Q472 VanDerWaalsContact CA-OE1 3.31Å; I458-Q472 HydrophobicContact CB-CB 4.35Å; I458-Q472 HydrophobicContact CG2-CB 3.86Å; I458-L473 HydrophobicContact CD1-CD1 3.88Å; I458-L473 HydrophobicContact CD1-CD2 4.12Å; I458-L473 HydrophobicContact CD1-CG 4.06Å; I458-L473 HydrophobicContact CG2-CD2 3.65Å; I458-L473 HydrophobicContact CG2-CG 4.28Å; I458-V485 HydrophobicContact CD1-CG1 4.42Å; I458-V485 HydrophobicContact CG1-CG1 4.33Å; I458-V485 HydrophobicContact CG2-CG1 4.49Å; I458-R486 WeakPolarHBondContact CG1-O 3.47Å; I458-R486 PolarHBondContact N-O 2.97Å; I458-V487 HydrophobicContact CD1-CG1 4.48Å; I458-V487 HydrophobicContact CD1-CG2 3.95Å; I458-V487 HydrophobicContact CG1-CB 4.28Å; I458-V487 HydrophobicContact CG1-CG1 4.24Å; I458-V487 HydrophobicContact CG1-CG2 3.87Å; I458-V487 WeakPolarHBondContact O-CA 3.38Å; I458-K488 PolarHBondContact O-N 3.38Å; I458-F509 HydrophobicContact CD1-CD1 4.43Å; I458-F509 HydrophobicContact CD1-CE1 4.04Å; I458-F509 HydrophobicContact CD1-CE2 4.29Å; I458-F509 HydrophobicContact CD1-CZ 3.95Å |
| 459 | T | 92.1 | Very high | 83.6 | Confident | 49 Ų | 49 | 74.2 Ų | 74.2 | 30% | 0.301 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 122.7 | 176.3 | -57.3 | 0 | 0 | 0 | 0 | 109.7 | Q472 K488 I490 | T459-Q472 PolarHBondContact O-NE2 3.31Å; T459-K488 CarbonylContact C-O 3.58Å; T459-K488 WeakPolarHBondContact CA-O 3.27Å; T459-K488 HydrophobicContact CG2-CB 4.47Å; T459-K488 HydrophobicContact CG2-CD 4.34Å; T459-I490 HydrophobicContact CG2-CD1 3.34Å; T459-I490 HydrophobicContact CG2-CG1 3.81Å |
| 460 | V | 93.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 123.1 | -168 | -178.2 | 0 | 0 | 0 | 0 | 110 | I458 I465 D468 V487 K488 F489 I490 F509 | I458-V460 HydrophobicContact CD1-CG2 3.77Å; I458-V460 HydrophobicContact CG1-CG2 4.05Å; V460-I465 HydrophobicContact CG1-CB 4.2Å; V460-I465 HydrophobicContact CG1-CG1 3.68Å; V460-D468 HydrophobicContact CG1-CB 4.27Å; V460-V487 HydrophobicContact CB-CG1 4.23Å; V460-V487 HydrophobicContact CG2-CG1 3.97Å; V460-K488 PolarHBondContact N-O 2.89Å; V460-F489 HydrophobicContact CB-CD1 4.34Å; V460-F489 HydrophobicContact CB-CE1 4.45Å; V460-F489 HydrophobicContact CG1-CE1 4.34Å; V460-F489 WeakPolarHBondContact O-CA 3.09Å; V460-I490 PolarHBondContact O-N 2.68Å; V460-F509 HydrophobicContact CB-CD2 4.49Å; V460-F509 HydrophobicContact CB-CE2 4.48Å; V460-F509 HydrophobicContact CG1-CD2 4.13Å; V460-F509 HydrophobicContact CG1-CE2 4Å; V460-F509 HydrophobicContact CG2-CD2 4.08Å; V460-F509 HydrophobicContact CG2-CE2 3.81Å |
| 461 | H | 92.6 | Very high | 86.2 | Confident | 52 Ų | 52 | 74.1 Ų | 74.1 | 24% | 0.241 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 132.3 | 171.2 | -60.6 | 78.9 | 0 | 0 | 0 | 109.6 | S463 R464 I465 D468 | H461-S463 PolarHBondContact O-N 3.48Å; H461-R464 CarbonylContact O-C 3.57Å; H461-R464 PolarHBondContact O-N 3.3Å; H461-I465 PolarHBondContact O-N 3.1Å; H461-D468 IonicContact CE1-OD2 3.84Å; H461-D468 IonicContact CG-OD2 3.49Å; H461-D468 PolarHBondContact N-OD2 2.93Å; H461-D468 VanDerWaalsContact N-OD2 3.13Å; H461-D468 IonicContact ND1-OD2 2.74Å; H461-D468 PolarHBondContact ND1-OD2 3.46Å |
| 462 | R | 88.4 | Confident | 87.6 | Confident | 61 Ų | 61 | 70.1 Ų | 70.1 | 23% | 0.23 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -53.2 | -38.1 | 177.1 | -69.2 | -71 | -171.6 | 167.7 | 0.2 | 112.5 | R464 F489 I490 E497 E508 E512 | R462-R464 VanDerWaalsContact C-N 3.28Å; R462-R464 PolarHBondContact O-N 3.02Å; R462-F489 HydrophobicContact CG-CD1 4.39Å; R462-I490 PolarHBondContact N-O 3.43Å; R462-E497 WeakPolarHBondContact CG-OE1 3.46Å; R462-E497 IonicContact CZ-OE1 3.76Å; R462-E497 IonicContact CZ-OE2 3.22Å; R462-E497 IonicContact NE-OE1 2.88Å; R462-E497 PolarHBondContact NE-OE1 2.92Å; R462-E497 VanDerWaalsContact NE-OE1 3.11Å; R462-E497 IonicContact NE-OE2 2.76Å; R462-E497 PolarHBondContact NE-OE2 3.06Å; R462-E497 IonicContact NH2-OE1 3.09Å; R462-E497 IonicContact NH2-OE2 2.85Å; R462-E497 PolarHBondContact NH2-OE2 3.12Å; R462-E508 IonicContact CZ-OE1 3.91Å; R462-E508 VanDerWaalsContact CZ-OE1 3.22Å; R462-E508 IonicContact NH1-OE1 3.68Å; R462-E508 PolarHBondContact NH1-OE1 3.46Å; R462-E508 IonicContact NH2-OE1 3.8Å; R462-E508 PolarHBondContact NH2-OE1 2.93Å; R462-E508 IonicContact NH2-OE2 3.42Å; R462-E512 IonicContact NH1-OE1 3.04Å; R462-E512 PolarHBondContact NH1-OE1 2.96Å; R462-E512 IonicContact NH1-OE2 3.83Å; R462-E512 PolarHBondContact NH1-OE2 3.47Å |
| 463 | S | 88.5 | Confident | 89 | Confident | 90 Ų | 90 | 64.9 Ų | 64.9 | 63% | 0.629 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -72.6 | -13.4 | 179.1 | 56.6 | 0 | 0 | 0 | 0 | 114.9 | H461 | H461-S463 PolarHBondContact O-N 3.48Š|
| 464 | R | 91.5 | Very high | 90.3 | Very high | 113 Ų | 113 | 56.2 Ų | 56.2 | 43% | 0.426 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -138.7 | 43.5 | -176 | -62.2 | -171.2 | -58.6 | -163 | -4 | 112.3 | H461 R462 V466 E467 D468 | H461-R464 CarbonylContact O-C 3.57Å; H461-R464 PolarHBondContact O-N 3.3Å; R462-R464 VanDerWaalsContact C-N 3.28Å; R462-R464 PolarHBondContact O-N 3.02Å; R464-V466 VanDerWaalsContact C-N 3.32Å; R464-V466 PolarHBondContact O-N 3.08Å; R464-E467 VanDerWaalsContact CA-OE2 3.25Å; R464-E467 WeakPolarHBondContact CA-OE2 3.28Å; R464-E467 HydrophobicContact CB-CB 4.4Å; R464-E467 PolarHBondContact O-N 2.89Å; R464-D468 WeakPolarHBondContact O-CB 3.34Å; R464-D468 PolarHBondContact O-N 3.49Å |
| 465 | I | 92.5 | Very high | 91.2 | Very high | 13 Ų | 13 | 56 Ų | 56 | 7% | 0.067 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61 | -40.5 | -170.6 | -162.5 | -175.7 | 0 | 0 | 0 | 112.8 | V460 H461 G469 F489 F509 E512 V513 | V460-I465 HydrophobicContact CG1-CB 4.2Å; V460-I465 HydrophobicContact CG1-CG1 3.68Å; H461-I465 PolarHBondContact O-N 3.1Å; I465-G469 PolarHBondContact O-N 3.21Å; I465-G469 VanDerWaalsContact O-N 3.09Å; I465-F489 HydrophobicContact CD1-CE1 4.39Å; I465-F509 HydrophobicContact CD1-CD2 3.98Å; I465-F509 HydrophobicContact CD1-CE2 4.45Å; I465-F509 HydrophobicContact CG1-CD2 3.8Å; I465-F509 HydrophobicContact CG1-CE2 3.87Å; I465-E512 HydrophobicContact CD1-CB 3.25Å; I465-E512 HydrophobicContact CD1-CG 4.3Å; I465-E512 WeakPolarHBondContact CD1-OE2 3.43Å; I465-V513 HydrophobicContact CD1-CG2 3.81Å; I465-V513 HydrophobicContact CG1-CG2 3.73Å; I465-V513 HydrophobicContact CG2-CG2 4.46Å |
| 466 | V | 93 | Very high | 91.9 | Very high | 17 Ų | 17 | 51.7 Ų | 51.7 | 10% | 0.103 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -71.8 | -45.1 | -178.5 | 178.7 | 0 | 0 | 0 | 0 | 110 | R464 Y470 R516 V517 | R464-V466 VanDerWaalsContact C-N 3.32Å; R464-V466 PolarHBondContact O-N 3.08Å; V466-Y470 WeakPolarHBondContact O-CB 3.4Å; V466-Y470 PolarHBondContact O-N 3.4Å; V466-R516 HydrophobicContact CG2-CB 3.91Å; V466-R516 HydrophobicContact CG2-CG 3.68Å; V466-V517 HydrophobicContact CB-CG1 4.45Å; V466-V517 HydrophobicContact CG1-CG1 3.74Å; V466-V517 HydrophobicContact CG2-CG1 3.8Å |
| 467 | E | 93.5 | Very high | 92 | Very high | 102 Ų | 102 | 53.5 Ų | 53.5 | 48% | 0.477 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69.3 | -47.1 | -175.6 | -60.9 | 83 | 170.8 | 0 | 0 | 112 | R464 R471 | R464-E467 VanDerWaalsContact CA-OE2 3.25Å; R464-E467 WeakPolarHBondContact CA-OE2 3.28Å; R464-E467 HydrophobicContact CB-CB 4.4Å; R464-E467 PolarHBondContact O-N 2.89Å; E467-R471 VanDerWaalsContact O-CB 3.31Å; E467-R471 WeakPolarHBondContact O-CB 3.49Å; E467-R471 PolarHBondContact O-N 2.93Å |
| 468 | D | 94.9 | Very high | 91.9 | Very high | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70 | -37.4 | 178.8 | -75.5 | -17.4 | 0 | 0 | 0 | 111.3 | V460 H461 R464 R471 Q472 | V460-D468 HydrophobicContact CG1-CB 4.27Å; H461-D468 IonicContact CE1-OD2 3.84Å; H461-D468 IonicContact CG-OD2 3.49Å; H461-D468 PolarHBondContact N-OD2 2.93Å; H461-D468 VanDerWaalsContact N-OD2 3.13Å; H461-D468 IonicContact ND1-OD2 2.74Å; H461-D468 PolarHBondContact ND1-OD2 3.46Å; R464-D468 WeakPolarHBondContact O-CB 3.34Å; R464-D468 PolarHBondContact O-N 3.49Å; D468-R471 IonicContact OD1-CZ 2.83Å; D468-R471 IonicContact OD1-NH1 3.37Å; D468-R471 PolarHBondContact OD1-NH1 3.4Å; D468-Q472 WeakPolarHBondContact O-CB 3.48Å; D468-Q472 PolarHBondContact O-N 3.08Å; D468-Q472 PolarHBondContact O-NE2 3.1Å |
| 469 | G | 94.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.6 | -51.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | I465 Q472 L473 | I465-G469 PolarHBondContact O-N 3.21Å; I465-G469 VanDerWaalsContact O-N 3.09Å; G469-Q472 PolarHBondContact O-N 3.04Å; G469-L473 VanDerWaalsContact O-CB 3.23Å; G469-L473 WeakPolarHBondContact O-CB 3.3Å; G469-L473 WeakPolarHBondContact O-CG 3.45Å; G469-L473 PolarHBondContact O-N 3.09Å |
| 470 | Y | 95.3 | Very high | 91.3 | Very high | 49 Ų | 49 | 53.5 Ų | 53.5 | 19% | 0.192 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.2 | -50.1 | 176.5 | 168.9 | -103.9 | 0 | 0 | 0 | 111.4 | V466 Q472 S474 S547 L548 F551 | V466-Y470 WeakPolarHBondContact O-CB 3.4Å; V466-Y470 PolarHBondContact O-N 3.4Å; Y470-Q472 VanDerWaalsContact C-N 3.28Å; Y470-Q472 PolarHBondContact O-N 3.14Å; Y470-S474 WeakPolarHBondContact O-CB 3.26Å; Y470-S474 PolarHBondContact O-N 3.47Å; Y470-S474 PolarHBondContact O-OG 3.36Å; Y470-S547 PolarHBondContact OH-OG 3.42Å; Y470-L548 HydrophobicContact CD1-CD2 4.21Å; Y470-L548 HydrophobicContact CD2-CD2 3.62Å; Y470-L548 HydrophobicContact CE1-CD2 4.45Å; Y470-L548 HydrophobicContact CE2-CD2 3.88Å; Y470-L548 HydrophobicContact CE2-CG 4.32Å; Y470-L548 HydrophobicContact CG-CD2 3.79Å; Y470-F551 HydrophobicContact CD2-CB 3.78Å; Y470-F551 HydrophobicContact CD2-CD1 4.08Å; Y470-F551 HydrophobicContact CD2-CD2 4.49Å; Y470-F551 AromaticContact CD2-CG 3.86Å; Y470-F551 HydrophobicContact CD2-CG 3.86Å; Y470-F551 HydrophobicContact CE2-CB 4.31Å |
| 471 | R | 94.3 | Very high | 91.1 | Very high | 146 Ų | 146 | 53.6 Ų | 53.6 | 55% | 0.551 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -58.2 | -39.2 | -177.7 | -170.9 | -171.4 | -62.8 | 124.8 | 4.7 | 112.6 | E467 D468 | E467-R471 VanDerWaalsContact O-CB 3.31Å; E467-R471 WeakPolarHBondContact O-CB 3.49Å; E467-R471 PolarHBondContact O-N 2.93Å; D468-R471 IonicContact OD1-CZ 2.83Å; D468-R471 IonicContact OD1-NH1 3.37Å; D468-R471 PolarHBondContact OD1-NH1 3.4Å |
| 472 | Q | 94.2 | Very high | 90.9 | Very high | 62 Ų | 62 | 53.1 Ų | 53.1 | 29% | 0.29 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -89.8 | -33.6 | -175.1 | -74.6 | 170.1 | 87.4 | 0 | 0 | 113.9 | I458 T459 D468 G469 Y470 | I458-Q472 VanDerWaalsContact CA-OE1 3.31Å; I458-Q472 HydrophobicContact CB-CB 4.35Å; I458-Q472 HydrophobicContact CG2-CB 3.86Å; T459-Q472 PolarHBondContact O-NE2 3.31Å; D468-Q472 WeakPolarHBondContact O-CB 3.48Å; D468-Q472 PolarHBondContact O-N 3.08Å; D468-Q472 PolarHBondContact O-NE2 3.1Å; G469-Q472 PolarHBondContact O-N 3.04Å; Y470-Q472 VanDerWaalsContact C-N 3.28Å; Y470-Q472 PolarHBondContact O-N 3.14Å |
| 473 | L | 93.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -98.8 | -25.3 | -172.9 | -62.8 | 178.4 | 0 | 0 | 0 | 113.9 | I458 G469 L475 L476 L481 V485 F509 F551 M555 | I458-L473 HydrophobicContact CD1-CD1 3.88Å; I458-L473 HydrophobicContact CD1-CD2 4.12Å; I458-L473 HydrophobicContact CD1-CG 4.06Å; I458-L473 HydrophobicContact CG2-CD2 3.65Å; I458-L473 HydrophobicContact CG2-CG 4.28Å; G469-L473 VanDerWaalsContact O-CB 3.23Å; G469-L473 WeakPolarHBondContact O-CB 3.3Å; G469-L473 WeakPolarHBondContact O-CG 3.45Å; G469-L473 PolarHBondContact O-N 3.09Å; L473-L475 PolarHBondContact O-N 3.09Å; L473-L476 HydrophobicContact CD2-CD1 3.7Å; L473-L476 PolarHBondContact O-N 3.45Å; L473-L481 HydrophobicContact CB-CD2 4.2Å; L473-L481 HydrophobicContact CD2-CD2 3.89Å; L473-V485 HydrophobicContact CD2-CG1 4.11Å; L473-F509 HydrophobicContact CD1-CE1 3.6Å; L473-F509 HydrophobicContact CD1-CZ 3.83Å; L473-F551 HydrophobicContact CB-CD2 4.49Å; L473-F551 HydrophobicContact CB-CE2 3.93Å; L473-F551 HydrophobicContact CD1-CE2 4.27Å; L473-M555 HydrophobicContact CB-CE 4.47Å; L473-M555 HydrophobicContact CD1-CE 4.03Å; L473-M555 HydrophobicContact CD1-SD 3.9Å |
| 474 | S | 91.3 | Very high | 90.4 | Very high | 26 Ų | 26 | 50.1 Ų | 50.1 | 18% | 0.182 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -29.3 | -177.7 | 61 | 0 | 0 | 0 | 0 | 113.4 | Y470 R554 | Y470-S474 WeakPolarHBondContact O-CB 3.26Å; Y470-S474 PolarHBondContact O-N 3.47Å; Y470-S474 PolarHBondContact O-OG 3.36Å; S474-R554 PolarHBondContact O-NH1 3.48Å |
| 475 | L | 87.6 | Confident | 90.1 | Very high | 156 Ų | 156 | 45 Ų | 45 | 82% | 0.817 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -9.2 | -179.9 | -60.3 | 178 | 0 | 0 | 0 | 113.4 | L473 | L473-L475 PolarHBondContact O-N 3.09Š|
| 476 | L | 90.8 | Very high | 89.9 | Confident | 44 Ų | 44 | 49 Ų | 49 | 23% | 0.23 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -77.8 | 143.8 | 178.6 | -59.7 | -177.7 | 0 | 0 | 0 | 110.4 | T456 L473 V480 L481 R554 | T456-L476 HydrophobicContact CG2-CD1 3.68Å; L473-L476 HydrophobicContact CD2-CD1 3.7Å; L473-L476 PolarHBondContact O-N 3.45Å; L476-V480 HydrophobicContact CB-CG1 4.39Å; L476-V480 HydrophobicContact CD1-CG1 4.18Å; L476-V480 HydrophobicContact CD2-CG1 4.4Å; L476-L481 HydrophobicContact CB-CD1 4.47Å; L476-L481 HydrophobicContact CB-CD2 4.15Å; L476-L481 HydrophobicContact CB-CG 3.96Å; L476-L481 HydrophobicContact CD1-CD2 4.02Å; L476-R554 PolarHBondContact O-NH1 2.93Å |
| 477 | S | 88.7 | Confident | 89.7 | Confident | 58 Ų | 58 | 48.3 Ų | 48.3 | 41% | 0.406 | 25% | 0.25 | S | C | . | . | trans | -68.8 | 153 | 173 | 66.4 | 0 | 0 | 0 | 0 | 111.4 | S479 V480 L481 | S477-S479 PolarHBondContact O-N 3.48Å; S477-S479 PolarHBondContact OG-OG 3.1Å; S477-V480 PolarHBondContact O-N 2.95Å; S477-V480 WeakPolarHBondContact OG-CG2 3.43Å; S477-V480 PolarHBondContact OG-N 3.4Å; S477-L481 PolarHBondContact O-N 3.43Å | ||
| 478 | G | 87.1 | Confident | 89.5 | Confident | 11 Ų | 11 | 47.1 Ų | 47.1 | 11% | 0.113 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -52.6 | -37.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V480 L481 K482 | G478-V480 PolarHBondContact O-N 3.47Å; G478-L481 PolarHBondContact O-N 3.12Å; G478-K482 WeakPolarHBondContact O-CB 3.33Å; G478-K482 VanDerWaalsContact O-CG 3.3Å; G478-K482 WeakPolarHBondContact O-CG 3.46Å; G478-K482 PolarHBondContact O-N 2.92Å |
| 479 | S | 84.9 | Confident | 89.2 | Confident | 79 Ų | 79 | 47.2 Ų | 47.2 | 55% | 0.552 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -62.8 | -39 | 176.7 | 58.8 | 0 | 0 | 0 | 0 | 113.1 | S477 | S477-S479 PolarHBondContact O-N 3.48Å; S477-S479 PolarHBondContact OG-OG 3.1Å |
| 480 | V | 87 | Confident | 88.9 | Confident | 40 Ų | 40 | 48 Ų | 48 | 24% | 0.242 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69.5 | -47.2 | 174.8 | 174.7 | 0 | 0 | 0 | 0 | 109.7 | R449 T456 L476 S477 G478 K482 G483 | R449-V480 PolarHBondContact NH1-O 3.25Å; T456-V480 HydrophobicContact CG2-CG1 4.36Å; T456-V480 WeakPolarHBondContact OG1-CG1 3.43Å; L476-V480 HydrophobicContact CB-CG1 4.39Å; L476-V480 HydrophobicContact CD1-CG1 4.18Å; L476-V480 HydrophobicContact CD2-CG1 4.4Å; S477-V480 PolarHBondContact O-N 2.95Å; S477-V480 WeakPolarHBondContact OG-CG2 3.43Å; S477-V480 PolarHBondContact OG-N 3.4Å; G478-V480 PolarHBondContact O-N 3.47Å; V480-K482 VanDerWaalsContact C-N 3.26Å; V480-K482 PolarHBondContact O-N 3.46Å; V480-G483 PolarHBondContact O-N 2.85Å; V480-G483 VanDerWaalsContact O-N 3.07Å |
| 481 | L | 89.1 | Confident | 88.5 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62 | -30.9 | 178.8 | -72.4 | 173.2 | 0 | 0 | 0 | 113 | L473 L476 S477 G478 G483 R554 K558 L677 | L473-L481 HydrophobicContact CB-CD2 4.2Å; L473-L481 HydrophobicContact CD2-CD2 3.89Å; L476-L481 HydrophobicContact CB-CD1 4.47Å; L476-L481 HydrophobicContact CB-CD2 4.15Å; L476-L481 HydrophobicContact CB-CG 3.96Å; L476-L481 HydrophobicContact CD1-CD2 4.02Å; S477-L481 PolarHBondContact O-N 3.43Å; G478-L481 PolarHBondContact O-N 3.12Å; L481-G483 VanDerWaalsContact C-N 3.27Å; L481-G483 PolarHBondContact O-N 2.83Å; L481-R554 HydrophobicContact CD1-CB 4.4Å; L481-R554 HydrophobicContact CD1-CG 4.46Å; L481-K558 VanDerWaalsContact O-CD 3.31Å; L481-K558 WeakPolarHBondContact O-CD 3.42Å; L481-K558 WeakPolarHBondContact O-CE 3.48Å; L481-K558 PolarHBondContact O-NZ 3.07Å; L481-L677 HydrophobicContact CB-CD1 3.94Å |
| 482 | K | 87.5 | Confident | 87.8 | Confident | 43 Ų | 43 | 49.1 Ų | 49.1 | 19% | 0.187 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.2 | -29.7 | 174.7 | -78.1 | -176.6 | -172.8 | -162 | 0 | 113 | E441 N445 G478 V480 K558 E676 L677 | E441-K482 IonicContact OE1-NZ 2.64Å; E441-K482 PolarHBondContact OE1-NZ 3.41Å; E441-K482 IonicContact OE2-NZ 2.65Å; E441-K482 PolarHBondContact OE2-NZ 3.05Å; N445-K482 WeakPolarHBondContact ND2-CD 3.39Å; G478-K482 WeakPolarHBondContact O-CB 3.33Å; G478-K482 VanDerWaalsContact O-CG 3.3Å; G478-K482 WeakPolarHBondContact O-CG 3.46Å; G478-K482 PolarHBondContact O-N 2.92Å; V480-K482 VanDerWaalsContact C-N 3.26Å; V480-K482 PolarHBondContact O-N 3.46Å; K482-K558 PolarHBondContact O-NZ 3.16Å; K482-E676 WeakPolarHBondContact CE-O 3.36Å; K482-L677 VanDerWaalsContact CE-O 3.3Å; K482-L677 WeakPolarHBondContact CE-O 3.46Å; K482-L677 HydrophobicContact CG-CD1 3.68Å |
| 483 | G | 83.6 | Confident | 87.2 | Confident | 7 Ų | 7 | 53.8 Ų | 53.8 | 7% | 0.072 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -75.8 | -171.4 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | V480 L481 V485 K558 | V480-G483 PolarHBondContact O-N 2.85Å; V480-G483 VanDerWaalsContact O-N 3.07Å; L481-G483 VanDerWaalsContact C-N 3.27Å; L481-G483 PolarHBondContact O-N 2.83Å; G483-V485 PolarHBondContact O-N 3.23Å; G483-K558 PolarHBondContact O-NZ 3.25Å |
| 484 | V | 82.9 | Confident | 86.6 | Confident | 80 Ų | 80 | 56.1 Ų | 56.1 | 49% | 0.485 | 31% | 0.308 | S | S | . | . | trans | -72.2 | 128.3 | 178.8 | -178.2 | 0 | 0 | 0 | 0 | 109.6 | R486 | V484-R486 HydrophobicContact CG1-CG 4.46Š| ||
| 485 | V | 86.1 | Confident | 86.2 | Confident | 5 Ų | 5 | 59.8 Ų | 59.8 | 3% | 0.03 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 126.9 | 173.3 | 178.7 | 0 | 0 | 0 | 0 | 106.8 | T456 I458 L473 G483 F506 | T456-V485 HydrophobicContact CG2-CG1 4.24Å; T456-V485 HydrophobicContact CG2-CG2 4.21Å; I458-V485 HydrophobicContact CD1-CG1 4.42Å; I458-V485 HydrophobicContact CG1-CG1 4.33Å; I458-V485 HydrophobicContact CG2-CG1 4.49Å; L473-V485 HydrophobicContact CD2-CG1 4.11Å; G483-V485 PolarHBondContact O-N 3.23Å; V485-F506 HydrophobicContact CB-CD2 3.74Å; V485-F506 HydrophobicContact CB-CE2 3.54Å; V485-F506 HydrophobicContact CB-CG 4.35Å; V485-F506 HydrophobicContact CB-CZ 3.96Å; V485-F506 HydrophobicContact CG1-CD2 3.75Å; V485-F506 HydrophobicContact CG1-CE2 3.55Å; V485-F506 HydrophobicContact CG1-CZ 4.39Å; V485-F506 HydrophobicContact CG2-CE2 4.28Å; V485-F506 HydrophobicContact CG2-CZ 4.34Å; V485-F506 WeakPolarHBondContact O-CB 3.39Å; V485-F506 WeakPolarHBondContact O-CG 3.49Å |
| 486 | R | 87 | Confident | 86 | Confident | 97 Ų | 97 | 56.8 Ų | 56.8 | 37% | 0.366 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 142.8 | 177.5 | -65.2 | -175.5 | 179.9 | -163.2 | -3 | 109.9 | T456 V457 I458 V484 | T456-R486 PolarHBondContact O-N 2.99Å; V457-R486 CarbonylContact C-O 3.28Å; V457-R486 WeakPolarHBondContact CA-O 3.33Å; V457-R486 HydrophobicContact CG1-CB 4.39Å; V457-R486 HydrophobicContact CG2-CB 4.21Å; I458-R486 WeakPolarHBondContact CG1-O 3.47Å; I458-R486 PolarHBondContact N-O 2.97Å; V484-R486 HydrophobicContact CG1-CG 4.46Å |
| 487 | V | 88.9 | Confident | 85.4 | Confident | 3 Ų | 3 | 57.5 Ų | 57.5 | 2% | 0.018 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 129.2 | -177.5 | -173.5 | 0 | 0 | 0 | 0 | 108.9 | I458 V460 F489 V505 F506 F509 | I458-V487 HydrophobicContact CD1-CG1 4.48Å; I458-V487 HydrophobicContact CD1-CG2 3.95Å; I458-V487 HydrophobicContact CG1-CB 4.28Å; I458-V487 HydrophobicContact CG1-CG1 4.24Å; I458-V487 HydrophobicContact CG1-CG2 3.87Å; I458-V487 WeakPolarHBondContact O-CA 3.38Å; V460-V487 HydrophobicContact CB-CG1 4.23Å; V460-V487 HydrophobicContact CG2-CG1 3.97Å; V487-F489 HydrophobicContact CG1-CD1 4.41Å; V487-F489 HydrophobicContact CG1-CD2 4.26Å; V487-F489 HydrophobicContact CG1-CE1 4.27Å; V487-F489 HydrophobicContact CG1-CE2 4.11Å; V487-F489 HydrophobicContact CG1-CG 4.42Å; V487-F489 HydrophobicContact CG1-CZ 4.13Å; V487-V505 HydrophobicContact CB-CG1 4.08Å; V487-V505 WeakPolarHBondContact O-CG1 3.36Å; V487-F506 HydrophobicContact CG2-CB 4.01Å; V487-F506 HydrophobicContact CG2-CD2 3.52Å; V487-F506 HydrophobicContact CG2-CE2 4.49Å; V487-F506 HydrophobicContact CG2-CG 4.25Å; V487-F509 HydrophobicContact CB-CB 4.48Å; V487-F509 HydrophobicContact CG1-CB 4.19Å; V487-F509 HydrophobicContact CG1-CD2 4.36Å; V487-F509 HydrophobicContact CG1-CG 4.34Å; V487-F509 HydrophobicContact CG2-CB 3.93Å; V487-F509 HydrophobicContact CG2-CD1 4.25Å; V487-F509 HydrophobicContact CG2-CG 4.06Å |
| 488 | K | 89.1 | Confident | 84.4 | Confident | 78 Ų | 78 | 61.2 Ų | 61.2 | 34% | 0.339 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 111.7 | 169.2 | -173.5 | -174.3 | -175.3 | -160.2 | 0 | 108.3 | I458 T459 V460 D496 | I458-K488 PolarHBondContact O-N 3.38Å; T459-K488 CarbonylContact C-O 3.58Å; T459-K488 WeakPolarHBondContact CA-O 3.27Å; T459-K488 HydrophobicContact CG2-CB 4.47Å; T459-K488 HydrophobicContact CG2-CD 4.34Å; V460-K488 PolarHBondContact N-O 2.89Å; K488-D496 WeakPolarHBondContact CE-OD1 3.19Å; K488-D496 WeakPolarHBondContact CE-OD2 3.14Å; K488-D496 IonicContact NZ-OD1 3.39Å; K488-D496 PolarHBondContact NZ-OD1 3.06Å; K488-D496 IonicContact NZ-OD2 3.73Å; K488-D496 PolarHBondContact NZ-OD2 3.39Å |
| 489 | F | 89.4 | Confident | 83.2 | Confident | 5 Ų | 5 | 62.9 Ų | 62.9 | 2% | 0.022 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 140.2 | 175.5 | -77.1 | -68.7 | 0 | 0 | 0 | 111.7 | V460 R462 I465 V487 E497 V505 E508 F509 | V460-F489 HydrophobicContact CB-CD1 4.34Å; V460-F489 HydrophobicContact CB-CE1 4.45Å; V460-F489 HydrophobicContact CG1-CE1 4.34Å; V460-F489 WeakPolarHBondContact O-CA 3.09Å; R462-F489 HydrophobicContact CG-CD1 4.39Å; I465-F489 HydrophobicContact CD1-CE1 4.39Å; V487-F489 HydrophobicContact CG1-CD1 4.41Å; V487-F489 HydrophobicContact CG1-CD2 4.26Å; V487-F489 HydrophobicContact CG1-CE1 4.27Å; V487-F489 HydrophobicContact CG1-CE2 4.11Å; V487-F489 HydrophobicContact CG1-CG 4.42Å; V487-F489 HydrophobicContact CG1-CZ 4.13Å; F489-E497 HydrophobicContact CB-CB 4.15Å; F489-E497 HydrophobicContact CB-CG 4.26Å; F489-E497 PolarHBondContact O-N 2.89Å; F489-V505 HydrophobicContact CD2-CG1 3.47Å; F489-V505 VanDerWaalsContact CD2-CG1 3.47Å; F489-V505 HydrophobicContact CE2-CG1 3.47Å; F489-V505 VanDerWaalsContact CE2-CG1 3.47Å; F489-E508 HydrophobicContact CE2-CG 4.29Å; F489-E508 HydrophobicContact CZ-CG 4.37Å; F489-F509 HydrophobicContact CE1-CB 4.49Å; F489-F509 HydrophobicContact CE1-CD2 4.46Å; F489-F509 HydrophobicContact CE2-CB 4.43Å; F489-F509 HydrophobicContact CZ-CB 3.74Å; F489-F509 HydrophobicContact CZ-CD2 4.5Å |
| 490 | I | 88.9 | Confident | 81.9 | Confident | 17 Ų | 17 | 65.6 Ų | 65.6 | 9% | 0.087 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 123.4 | 169.5 | -61 | 177.5 | 0 | 0 | 0 | 107.5 | T459 V460 R462 G494 | T459-I490 HydrophobicContact CG2-CD1 3.34Å; T459-I490 HydrophobicContact CG2-CG1 3.81Å; V460-I490 PolarHBondContact O-N 2.68Å; R462-I490 PolarHBondContact N-O 3.43Å; I490-G494 VanDerWaalsContact CG2-C 3.46Å; I490-G494 VanDerWaalsContact CG2-CA 3.49Å |
| 491 | N | 85.4 | Confident | 80.4 | Confident | 41 Ų | 41 | 66.5 Ų | 66.5 | 22% | 0.219 | 36% | 0.362 | C | S | . | . | trans | -72.4 | 177.4 | -179.9 | 72.5 | 11 | 0 | 0 | 0 | 112 | Q493 G494 L495 E497 | N491-Q493 PolarHBondContact O-N 3.42Å; N491-Q493 VanDerWaalsContact O-N 3.16Å; N491-Q493 WeakPolarHBondContact OD1-CA 3.25Å; N491-Q493 WeakPolarHBondContact OD1-CB 3.3Å; N491-Q493 PolarHBondContact OD1-N 3.15Å; N491-G494 PolarHBondContact O-N 2.94Å; N491-G494 PolarHBondContact OD1-N 3.49Å; N491-G494 VanDerWaalsContact OD1-N 3.17Å; N491-L495 PolarHBondContact N-O 3.17Å; N491-L495 PolarHBondContact OD1-N 2.98Å; N491-L495 PolarHBondContact OD1-O 3.44Å; N491-E497 HydrophobicContact CB-CG 4.03Å | ||
| 492 | E | 81.2 | Confident | 78.8 | Confident | 178 Ų | 178 | 73.5 Ų | 73.5 | 83% | 0.832 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -24.5 | -179.8 | -59.9 | -171.4 | 158.2 | 0 | 0 | 114 | G494 | E492-G494 VanDerWaalsContact C-N 3.25Å; E492-G494 PolarHBondContact O-N 2.93Å |
| 493 | Q | 80.5 | Confident | 77.6 | Confident | 160 Ų | 160 | 77.4 Ų | 77.4 | 75% | 0.748 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -1.1 | 178.1 | -61.3 | 172.3 | -13.6 | 0 | 0 | 112.5 | N491 L495 | N491-Q493 PolarHBondContact O-N 3.42Å; N491-Q493 VanDerWaalsContact O-N 3.16Å; N491-Q493 WeakPolarHBondContact OD1-CA 3.25Å; N491-Q493 WeakPolarHBondContact OD1-CB 3.3Å; N491-Q493 PolarHBondContact OD1-N 3.15Å; Q493-L495 VanDerWaalsContact C-N 3.29Å; Q493-L495 HydrophobicContact CB-CD1 4.4Å; Q493-L495 HydrophobicContact CB-CG 4.34Å |
| 494 | G | 81.2 | Confident | 76.8 | Confident | 49 Ų | 49 | 77.2 Ų | 77.2 | 51% | 0.505 | 42% | 0.415 | S | S | . | . | S | Bend | trans | 77.9 | 12.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | I490 N491 E492 | I490-G494 VanDerWaalsContact CG2-C 3.46Å; I490-G494 VanDerWaalsContact CG2-CA 3.49Å; N491-G494 PolarHBondContact O-N 2.94Å; N491-G494 PolarHBondContact OD1-N 3.49Å; N491-G494 VanDerWaalsContact OD1-N 3.17Å; E492-G494 VanDerWaalsContact C-N 3.25Å; E492-G494 PolarHBondContact O-N 2.93Å |
| 495 | L | 83.6 | Confident | 76.7 | Confident | 103 Ų | 103 | 74.1 Ų | 74.1 | 54% | 0.539 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -94.2 | 147.2 | 179.4 | -61.7 | 174.5 | 0 | 0 | 0 | 111.1 | N491 Q493 E497 | N491-L495 PolarHBondContact N-O 3.17Å; N491-L495 PolarHBondContact OD1-N 2.98Å; N491-L495 PolarHBondContact OD1-O 3.44Å; Q493-L495 VanDerWaalsContact C-N 3.29Å; Q493-L495 HydrophobicContact CB-CD1 4.4Å; Q493-L495 HydrophobicContact CB-CG 4.34Å; L495-E497 PolarHBondContact O-N 3.33Å |
| 496 | D | 82.2 | Confident | 76.6 | Confident | 93 Ų | 93 | 75 Ų | 75 | 50% | 0.497 | 40% | 0.4 | S | S | . | . | B | Isolated β-bridge | trans | -65.2 | 125.7 | 175.4 | -68.8 | -22.2 | 0 | 0 | 0 | 110.6 | K488 | K488-D496 WeakPolarHBondContact CE-OD1 3.19Å; K488-D496 WeakPolarHBondContact CE-OD2 3.14Å; K488-D496 IonicContact NZ-OD1 3.39Å; K488-D496 PolarHBondContact NZ-OD1 3.06Å; K488-D496 IonicContact NZ-OD2 3.73Å; K488-D496 PolarHBondContact NZ-OD2 3.39Å |
| 497 | E | 79.1 | Confident | 76.3 | Confident | 58 Ų | 58 | 71.6 Ų | 71.6 | 27% | 0.271 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 126 | 168.3 | -68.9 | 177.2 | -152.3 | 0 | 0 | 109.1 | R462 F489 N491 L495 G499 | R462-E497 WeakPolarHBondContact CG-OE1 3.46Å; R462-E497 IonicContact CZ-OE1 3.76Å; R462-E497 IonicContact CZ-OE2 3.22Å; R462-E497 IonicContact NE-OE1 2.88Å; R462-E497 PolarHBondContact NE-OE1 2.92Å; R462-E497 VanDerWaalsContact NE-OE1 3.11Å; R462-E497 IonicContact NE-OE2 2.76Å; R462-E497 PolarHBondContact NE-OE2 3.06Å; R462-E497 IonicContact NH2-OE1 3.09Å; R462-E497 IonicContact NH2-OE2 2.85Å; R462-E497 PolarHBondContact NH2-OE2 3.12Å; F489-E497 HydrophobicContact CB-CB 4.15Å; F489-E497 HydrophobicContact CB-CG 4.26Å; F489-E497 PolarHBondContact O-N 2.89Å; N491-E497 HydrophobicContact CB-CG 4.03Å; L495-E497 PolarHBondContact O-N 3.33Å; E497-G499 PolarHBondContact O-N 2.96Å |
| 498 | P | 68.1 | Low | 75.9 | Confident | 136 Ų | 136 | 72.5 Ų | 72.5 | 88% | 0.883 | 39% | 0.392 | S | S | * | . | trans | -69.1 | 95.9 | 176.7 | 27.2 | -32.7 | 0 | 0 | 0 | 110.5 | ||||
| 499 | G | 62.1 | Low | 75.8 | Confident | 46 Ų | 46 | 68.8 Ų | 68.8 | 47% | 0.474 | 38% | 0.376 | S | S | . | . | trans | -94.5 | 126.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E497 | E497-G499 PolarHBondContact O-N 2.96Š| ||
| 500 | I | 57.5 | Low | 75.8 | Confident | 137 Ų | 137 | 68.9 Ų | 68.9 | 70% | 0.703 | 38% | 0.376 | S | S | * | . | trans | -90.1 | 99.4 | 165 | -58.7 | 175.2 | 0 | 0 | 0 | 107.1 | Q502 | I500-Q502 VanDerWaalsContact C-N 3.32Å; I500-Q502 PolarHBondContact O-N 2.98Å | ||
| 501 | D | 54.4 | Low | 75.5 | Confident | 59 Ų | 59 | 69.1 Ų | 69.1 | 32% | 0.316 | 38% | 0.377 | S | S | . | . | trans | -72.2 | 77.7 | -177.5 | -74 | -22.1 | 0 | 0 | 0 | 112.6 | V505 | D501-V505 WeakPolarHBondContact OD1-CG2 3.5Š| ||
| 502 | Q | 55.9 | Low | 75.5 | Confident | 149 Ų | 149 | 69.8 Ų | 69.8 | 70% | 0.696 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -109.6 | 71.8 | 157.9 | -69.1 | -168.3 | -2 | 0 | 0 | 108.9 | I500 G504 F808 | I500-Q502 VanDerWaalsContact C-N 3.32Å; I500-Q502 PolarHBondContact O-N 2.98Å; Q502-G504 PolarHBondContact O-N 3.39Å; Q502-F808 HydrophobicContact CB-CE1 4.35Å; Q502-F808 WeakPolarHBondContact O-CE1 3.26Å |
| 503 | D | 61.5 | Low | 76 | Confident | 125 Ų | 125 | 61.3 Ų | 61.3 | 67% | 0.668 | 34% | 0.339 | S | S | * | . | S | Bend | trans | 60.3 | -19.4 | 177.2 | -65 | -29.9 | 0 | 0 | 0 | 118.3 | ||
| 504 | G | 68.5 | Low | 76.5 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.1 | -44.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q502 F506 K507 E508 C807 | Q502-G504 PolarHBondContact O-N 3.39Å; G504-F506 PolarHBondContact O-N 3.39Å; G504-K507 VanDerWaalsContact O-CB 3.31Å; G504-K507 WeakPolarHBondContact O-CB 3.44Å; G504-K507 PolarHBondContact O-N 3.37Å; G504-K507 VanDerWaalsContact O-N 3.11Å; G504-E508 PolarHBondContact O-N 2.97Å; G504-E508 VanDerWaalsContact O-N 3.14Å; G504-C807 VanDerWaalsContact C-SG 3.57Å; G504-C807 PolarHBondContact O-SG 3.49Å |
| 505 | V | 79.9 | Confident | 76.7 | Confident | 15 Ų | 15 | 56.4 Ų | 56.4 | 9% | 0.091 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.7 | -37.2 | -171.8 | -170 | 0 | 0 | 0 | 0 | 112.2 | V487 F489 D501 K507 E508 F509 | V487-V505 HydrophobicContact CB-CG1 4.08Å; V487-V505 WeakPolarHBondContact O-CG1 3.36Å; F489-V505 HydrophobicContact CD2-CG1 3.47Å; F489-V505 VanDerWaalsContact CD2-CG1 3.47Å; F489-V505 HydrophobicContact CE2-CG1 3.47Å; F489-V505 VanDerWaalsContact CE2-CG1 3.47Å; D501-V505 WeakPolarHBondContact OD1-CG2 3.5Å; V505-K507 VanDerWaalsContact C-N 3.34Å; V505-E508 PolarHBondContact O-N 2.96Å; V505-F509 PolarHBondContact O-N 3.24Å |
| 506 | F | 84.3 | Confident | 77 | Confident | 25 Ų | 25 | 56.7 Ų | 56.7 | 11% | 0.11 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70 | -32.5 | 176 | -178.4 | -105.5 | 0 | 0 | 0 | 112.5 | V485 V487 G504 F509 L510 K558 | V485-F506 HydrophobicContact CB-CD2 3.74Å; V485-F506 HydrophobicContact CB-CE2 3.54Å; V485-F506 HydrophobicContact CB-CG 4.35Å; V485-F506 HydrophobicContact CB-CZ 3.96Å; V485-F506 HydrophobicContact CG1-CD2 3.75Å; V485-F506 HydrophobicContact CG1-CE2 3.55Å; V485-F506 HydrophobicContact CG1-CZ 4.39Å; V485-F506 HydrophobicContact CG2-CE2 4.28Å; V485-F506 HydrophobicContact CG2-CZ 4.34Å; V485-F506 WeakPolarHBondContact O-CB 3.39Å; V485-F506 WeakPolarHBondContact O-CG 3.49Å; V487-F506 HydrophobicContact CG2-CB 4.01Å; V487-F506 HydrophobicContact CG2-CD2 3.52Å; V487-F506 HydrophobicContact CG2-CE2 4.49Å; V487-F506 HydrophobicContact CG2-CG 4.25Å; G504-F506 PolarHBondContact O-N 3.39Å; F506-F509 HydrophobicContact CD2-CD1 4.06Å; F506-F509 AromaticContact CE2-CD1 3.95Å; F506-F509 HydrophobicContact CE2-CD1 3.95Å; F506-F509 HydrophobicContact CE2-CE1 4.26Å; F506-F509 PolarHBondContact O-N 2.61Å; F506-L510 HydrophobicContact CD1-CD1 3.74Å; F506-L510 HydrophobicContact CD1-CG 4.34Å; F506-L510 HydrophobicContact CE1-CD1 3.26Å; F506-L510 HydrophobicContact CE1-CD2 4.4Å; F506-L510 HydrophobicContact CE1-CG 3.88Å; F506-L510 HydrophobicContact CE2-CG 4.38Å; F506-L510 HydrophobicContact CZ-CD1 3.77Å; F506-L510 HydrophobicContact CZ-CD2 4.05Å; F506-L510 HydrophobicContact CZ-CG 3.9Å; F506-L510 WeakPolarHBondContact O-CG 3.39Å; F506-L510 PolarHBondContact O-N 2.94Å; F506-K558 HydrophobicContact CE1-CD 4.23Å; F506-K558 HydrophobicContact CE1-CG 3.77Å; F506-K558 HydrophobicContact CZ-CD 4.48Å; F506-K558 HydrophobicContact CZ-CG 3.82Å |
| 507 | K | 79.7 | Confident | 77.5 | Confident | 25 Ų | 25 | 52.3 Ų | 52.3 | 11% | 0.109 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.8 | -47 | 174 | -175 | -168.6 | 173.7 | -138.6 | 0 | 110.8 | G504 V505 L510 E511 I561 T806 N809 | G504-K507 VanDerWaalsContact O-CB 3.31Å; G504-K507 WeakPolarHBondContact O-CB 3.44Å; G504-K507 PolarHBondContact O-N 3.37Å; G504-K507 VanDerWaalsContact O-N 3.11Å; V505-K507 VanDerWaalsContact C-N 3.34Å; K507-L510 PolarHBondContact O-N 3.15Å; K507-E511 WeakPolarHBondContact CE-OE1 3.34Å; K507-E511 IonicContact NZ-OE1 3.23Å; K507-E511 PolarHBondContact NZ-OE1 2.81Å; K507-E511 WeakPolarHBondContact O-CG 3.42Å; K507-E511 PolarHBondContact O-N 3.16Å; K507-I561 HydrophobicContact CG-CD1 4.02Å; K507-T806 PolarHBondContact NZ-O 3.39Å; K507-N809 PolarHBondContact NZ-OD1 3.29Å |
| 508 | E | 80.6 | Confident | 78 | Confident | 22 Ų | 22 | 50.2 Ų | 50.2 | 10% | 0.103 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59 | -47.6 | 175 | 171.5 | -178.5 | -171.4 | 0 | 0 | 112 | R462 F489 G504 V505 L510 E511 E512 C807 | R462-E508 IonicContact CZ-OE1 3.91Å; R462-E508 VanDerWaalsContact CZ-OE1 3.22Å; R462-E508 IonicContact NH1-OE1 3.68Å; R462-E508 PolarHBondContact NH1-OE1 3.46Å; R462-E508 IonicContact NH2-OE1 3.8Å; R462-E508 PolarHBondContact NH2-OE1 2.93Å; R462-E508 IonicContact NH2-OE2 3.42Å; F489-E508 HydrophobicContact CE2-CG 4.29Å; F489-E508 HydrophobicContact CZ-CG 4.37Å; G504-E508 PolarHBondContact O-N 2.97Å; G504-E508 VanDerWaalsContact O-N 3.14Å; V505-E508 PolarHBondContact O-N 2.96Å; E508-L510 VanDerWaalsContact C-N 3.3Å; E508-L510 PolarHBondContact O-N 3.16Å; E508-E511 PolarHBondContact O-N 3.39Å; E508-E512 PolarHBondContact O-N 3.36Å; E508-C807 WeakPolarHBondContact CB-SG 3.3Å; E508-C807 PolarHBondContact OE2-SG 3.11Å |
| 509 | F | 87.7 | Confident | 78.9 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -53.2 | -47.1 | 174.6 | 166.5 | -99.7 | 0 | 0 | 0 | 112.3 | I458 V460 I465 L473 V487 F489 V505 F506 E512 V513 M555 | I458-F509 HydrophobicContact CD1-CD1 4.43Å; I458-F509 HydrophobicContact CD1-CE1 4.04Å; I458-F509 HydrophobicContact CD1-CE2 4.29Å; I458-F509 HydrophobicContact CD1-CZ 3.95Å; V460-F509 HydrophobicContact CB-CD2 4.49Å; V460-F509 HydrophobicContact CB-CE2 4.48Å; V460-F509 HydrophobicContact CG1-CD2 4.13Å; V460-F509 HydrophobicContact CG1-CE2 4Å; V460-F509 HydrophobicContact CG2-CD2 4.08Å; V460-F509 HydrophobicContact CG2-CE2 3.81Å; I465-F509 HydrophobicContact CD1-CD2 3.98Å; I465-F509 HydrophobicContact CD1-CE2 4.45Å; I465-F509 HydrophobicContact CG1-CD2 3.8Å; I465-F509 HydrophobicContact CG1-CE2 3.87Å; L473-F509 HydrophobicContact CD1-CE1 3.6Å; L473-F509 HydrophobicContact CD1-CZ 3.83Å; V487-F509 HydrophobicContact CB-CB 4.48Å; V487-F509 HydrophobicContact CG1-CB 4.19Å; V487-F509 HydrophobicContact CG1-CD2 4.36Å; V487-F509 HydrophobicContact CG1-CG 4.34Å; V487-F509 HydrophobicContact CG2-CB 3.93Å; V487-F509 HydrophobicContact CG2-CD1 4.25Å; V487-F509 HydrophobicContact CG2-CG 4.06Å; F489-F509 HydrophobicContact CE1-CB 4.49Å; F489-F509 HydrophobicContact CE1-CD2 4.46Å; F489-F509 HydrophobicContact CE2-CB 4.43Å; F489-F509 HydrophobicContact CZ-CB 3.74Å; F489-F509 HydrophobicContact CZ-CD2 4.5Å; V505-F509 PolarHBondContact O-N 3.24Å; F506-F509 HydrophobicContact CD2-CD1 4.06Å; F506-F509 AromaticContact CE2-CD1 3.95Å; F506-F509 HydrophobicContact CE2-CD1 3.95Å; F506-F509 HydrophobicContact CE2-CE1 4.26Å; F506-F509 PolarHBondContact O-N 2.61Å; F509-E512 PolarHBondContact O-N 2.93Å; F509-V513 HydrophobicContact CD2-CG2 3.96Å; F509-V513 HydrophobicContact CE1-CG2 4.22Å; F509-V513 HydrophobicContact CE2-CG2 3.5Å; F509-V513 VanDerWaalsContact CE2-CG2 3.5Å; F509-V513 HydrophobicContact CZ-CG2 3.65Å; F509-V513 WeakPolarHBondContact O-CB 3.4Å; F509-V513 VanDerWaalsContact O-CG2 3.28Å; F509-V513 WeakPolarHBondContact O-CG2 3.4Å; F509-V513 PolarHBondContact O-N 3.3Å; F509-M555 HydrophobicContact CE1-SD 4.25Å |
| 510 | L | 88.8 | Confident | 80 | Confident | 6 Ų | 6 | 47.1 Ų | 47.1 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.3 | -44 | 178.5 | -76.5 | 169 | 0 | 0 | 0 | 112.5 | F506 K507 E508 I514 M555 K558 | F506-L510 HydrophobicContact CD1-CD1 3.74Å; F506-L510 HydrophobicContact CD1-CG 4.34Å; F506-L510 HydrophobicContact CE1-CD1 3.26Å; F506-L510 HydrophobicContact CE1-CD2 4.4Å; F506-L510 HydrophobicContact CE1-CG 3.88Å; F506-L510 HydrophobicContact CE2-CG 4.38Å; F506-L510 HydrophobicContact CZ-CD1 3.77Å; F506-L510 HydrophobicContact CZ-CD2 4.05Å; F506-L510 HydrophobicContact CZ-CG 3.9Å; F506-L510 WeakPolarHBondContact O-CG 3.39Å; F506-L510 PolarHBondContact O-N 2.94Å; K507-L510 PolarHBondContact O-N 3.15Å; E508-L510 VanDerWaalsContact C-N 3.3Å; E508-L510 PolarHBondContact O-N 3.16Å; L510-I514 VanDerWaalsContact O-CB 3.27Å; L510-I514 WeakPolarHBondContact O-CB 3.37Å; L510-I514 WeakPolarHBondContact O-CG1 3.4Å; L510-I514 PolarHBondContact O-N 3.14Å; L510-M555 HydrophobicContact CD2-CB 4.19Å; L510-M555 HydrophobicContact CD2-SD 3.73Å; L510-K558 HydrophobicContact CD1-CG 4.12Å; L510-K558 HydrophobicContact CD2-CB 4.46Å; L510-K558 HydrophobicContact CD2-CG 4.35Å |
| 511 | E | 83.1 | Confident | 81.5 | Confident | 22 Ų | 22 | 44.5 Ų | 44.5 | 10% | 0.103 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.5 | -45.2 | 178.8 | -73 | 173.9 | -175.8 | 0 | 0 | 111.6 | K507 E508 T515 I561 S749 | K507-E511 WeakPolarHBondContact CE-OE1 3.34Å; K507-E511 IonicContact NZ-OE1 3.23Å; K507-E511 PolarHBondContact NZ-OE1 2.81Å; K507-E511 WeakPolarHBondContact O-CG 3.42Å; K507-E511 PolarHBondContact O-N 3.16Å; E508-E511 PolarHBondContact O-N 3.39Å; E511-T515 VanDerWaalsContact O-CB 3.28Å; E511-T515 WeakPolarHBondContact O-CB 3.41Å; E511-T515 PolarHBondContact O-N 3.45Å; E511-T515 PolarHBondContact O-OG1 3.49Å; E511-I561 HydrophobicContact CG-CD1 4.04Å; E511-S749 WeakPolarHBondContact OE2-CB 3.33Å; E511-S749 PolarHBondContact OE2-OG 2.95Å |
| 512 | E | 86.1 | Confident | 83.2 | Confident | 55 Ų | 55 | 43.6 Ų | 43.6 | 26% | 0.257 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67.5 | -44.1 | 178.7 | -74.7 | -174.5 | -167.8 | 0 | 0 | 112.1 | R462 I465 E508 F509 T515 R516 | R462-E512 IonicContact NH1-OE1 3.04Å; R462-E512 PolarHBondContact NH1-OE1 2.96Å; R462-E512 IonicContact NH1-OE2 3.83Å; R462-E512 PolarHBondContact NH1-OE2 3.47Å; I465-E512 HydrophobicContact CD1-CB 3.25Å; I465-E512 HydrophobicContact CD1-CG 4.3Å; I465-E512 WeakPolarHBondContact CD1-OE2 3.43Å; E508-E512 PolarHBondContact O-N 3.36Å; F509-E512 PolarHBondContact O-N 2.93Å; E512-T515 PolarHBondContact O-N 3Å; E512-R516 VanDerWaalsContact O-CB 3.28Å; E512-R516 WeakPolarHBondContact O-CB 3.42Å; E512-R516 PolarHBondContact O-N 3.16Å |
| 513 | V | 92 | Very high | 84.9 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.2 | -49.3 | 175.7 | 170 | 0 | 0 | 0 | 0 | 110.3 | I465 F509 T515 R516 V517 F551 M555 | I465-V513 HydrophobicContact CD1-CG2 3.81Å; I465-V513 HydrophobicContact CG1-CG2 3.73Å; I465-V513 HydrophobicContact CG2-CG2 4.46Å; F509-V513 HydrophobicContact CD2-CG2 3.96Å; F509-V513 HydrophobicContact CE1-CG2 4.22Å; F509-V513 HydrophobicContact CE2-CG2 3.5Å; F509-V513 VanDerWaalsContact CE2-CG2 3.5Å; F509-V513 HydrophobicContact CZ-CG2 3.65Å; F509-V513 WeakPolarHBondContact O-CB 3.4Å; F509-V513 VanDerWaalsContact O-CG2 3.28Å; F509-V513 WeakPolarHBondContact O-CG2 3.4Å; F509-V513 PolarHBondContact O-N 3.3Å; V513-T515 PolarHBondContact O-N 3.4Å; V513-R516 PolarHBondContact O-N 3.25Å; V513-V517 HydrophobicContact CG1-CG1 4.16Å; V513-V517 WeakPolarHBondContact O-CG1 3.48Å; V513-V517 VanDerWaalsContact O-CG2 3.26Å; V513-V517 WeakPolarHBondContact O-CG2 3.25Å; V513-V517 PolarHBondContact O-N 3.4Å; V513-F551 HydrophobicContact CG1-CE1 4.06Å; V513-F551 HydrophobicContact CG1-CZ 4.23Å; V513-M555 HydrophobicContact CG1-CG 4.2Å |
| 514 | I | 90.3 | Very high | 86.5 | Confident | 3 Ų | 3 | 32.8 Ų | 32.8 | 2% | 0.015 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.5 | -46.3 | -179.7 | -71.6 | 172.6 | 0 | 0 | 0 | 110.3 | L510 R516 V517 F518 M555 L556 A559 V563 V565 | L510-I514 VanDerWaalsContact O-CB 3.27Å; L510-I514 WeakPolarHBondContact O-CB 3.37Å; L510-I514 WeakPolarHBondContact O-CG1 3.4Å; L510-I514 PolarHBondContact O-N 3.14Å; I514-R516 VanDerWaalsContact C-N 3.28Å; I514-R516 PolarHBondContact O-N 2.9Å; I514-V517 WeakPolarHBondContact O-CG2 3.39Å; I514-V517 PolarHBondContact O-N 2.89Å; I514-F518 HydrophobicContact CG2-CD2 3.82Å; I514-F518 HydrophobicContact CG2-CE2 4.08Å; I514-F518 WeakPolarHBondContact O-CB 3.24Å; I514-F518 VanDerWaalsContact O-CD2 3.28Å; I514-F518 WeakPolarHBondContact O-CD2 3.39Å; I514-F518 PolarHBondContact O-N 3.39Å; I514-F518 VanDerWaalsContact O-N 3.17Å; I514-M555 HydrophobicContact CG1-CB 4.46Å; I514-L556 HydrophobicContact CD1-CD1 4.22Å; I514-A559 HydrophobicContact CD1-CB 3.74Å; I514-V563 HydrophobicContact CD1-CG1 3.91Å; I514-V563 HydrophobicContact CG2-CB 4.41Å; I514-V563 HydrophobicContact CG2-CG1 4.48Å; I514-V565 HydrophobicContact CG2-CG2 3.48Å; I514-V565 VanDerWaalsContact CG2-CG2 3.48Å |
| 515 | T | 85.5 | Confident | 87.7 | Confident | 103 Ų | 103 | 32.7 Ų | 32.7 | 63% | 0.632 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -58.8 | -41.9 | 177.4 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | E511 E512 V513 D519 | E511-T515 VanDerWaalsContact O-CB 3.28Å; E511-T515 WeakPolarHBondContact O-CB 3.41Å; E511-T515 PolarHBondContact O-N 3.45Å; E511-T515 PolarHBondContact O-OG1 3.49Å; E512-T515 PolarHBondContact O-N 3Å; V513-T515 PolarHBondContact O-N 3.4Å; T515-D519 PolarHBondContact O-N 3.04Å |
| 516 | R | 89.6 | Confident | 88.2 | Confident | 109 Ų | 109 | 35.1 Ų | 35.1 | 41% | 0.411 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -72.7 | -44.2 | -177.5 | -170 | 64.7 | 177.2 | 102 | 3.1 | 112.9 | V466 E512 V513 I514 F518 D519 L522 | V466-R516 HydrophobicContact CG2-CB 3.91Å; V466-R516 HydrophobicContact CG2-CG 3.68Å; E512-R516 VanDerWaalsContact O-CB 3.28Å; E512-R516 WeakPolarHBondContact O-CB 3.42Å; E512-R516 PolarHBondContact O-N 3.16Å; V513-R516 PolarHBondContact O-N 3.25Å; I514-R516 VanDerWaalsContact C-N 3.28Å; I514-R516 PolarHBondContact O-N 2.9Å; R516-F518 VanDerWaalsContact C-N 3.33Å; R516-F518 PolarHBondContact O-N 3.17Å; R516-D519 IonicContact NH1-OD2 2.73Å; R516-D519 PolarHBondContact NH1-OD2 2.94Å; R516-D519 VanDerWaalsContact O-CB 3.23Å; R516-D519 WeakPolarHBondContact O-CB 3.44Å; R516-D519 PolarHBondContact O-N 3.34Å; R516-D519 VanDerWaalsContact O-N 3.15Å; R516-L522 HydrophobicContact CG-CD1 4.33Å; R516-L522 WeakPolarHBondContact O-CD1 3.32Å |
| 517 | V | 92.6 | Very high | 88.5 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -72 | -26.8 | -177.1 | -61.2 | 0 | 0 | 0 | 0 | 113.3 | V466 V513 I514 D519 F525 I552 | V466-V517 HydrophobicContact CB-CG1 4.45Å; V466-V517 HydrophobicContact CG1-CG1 3.74Å; V466-V517 HydrophobicContact CG2-CG1 3.8Å; V513-V517 HydrophobicContact CG1-CG1 4.16Å; V513-V517 WeakPolarHBondContact O-CG1 3.48Å; V513-V517 VanDerWaalsContact O-CG2 3.26Å; V513-V517 WeakPolarHBondContact O-CG2 3.25Å; V513-V517 PolarHBondContact O-N 3.4Å; I514-V517 WeakPolarHBondContact O-CG2 3.39Å; I514-V517 PolarHBondContact O-N 2.89Å; V517-D519 VanDerWaalsContact C-N 3.28Å; V517-F525 WeakPolarHBondContact O-CD2 3.37Å; V517-I552 HydrophobicContact CB-CD1 3.89Å; V517-I552 HydrophobicContact CB-CG1 3.98Å; V517-I552 HydrophobicContact CG1-CD1 4.25Å; V517-I552 HydrophobicContact CG1-CG1 4.09Å; V517-I552 HydrophobicContact CG2-CD1 4.23Å; V517-I552 HydrophobicContact CG2-CG1 3.94Å; V517-I552 HydrophobicContact CG2-CG2 3.8Å |
| 518 | F | 90.7 | Very high | 89 | Confident | 14 Ų | 14 | 37.7 Ų | 37.7 | 6% | 0.061 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 7.6 | 172 | -76.5 | -75.8 | 0 | 0 | 0 | 112.8 | I514 R516 P520 F525 M533 I552 V565 L567 F670 | I514-F518 HydrophobicContact CG2-CD2 3.82Å; I514-F518 HydrophobicContact CG2-CE2 4.08Å; I514-F518 WeakPolarHBondContact O-CB 3.24Å; I514-F518 VanDerWaalsContact O-CD2 3.28Å; I514-F518 WeakPolarHBondContact O-CD2 3.39Å; I514-F518 PolarHBondContact O-N 3.39Å; I514-F518 VanDerWaalsContact O-N 3.17Å; R516-F518 VanDerWaalsContact C-N 3.33Å; R516-F518 PolarHBondContact O-N 3.17Å; F518-P520 WeakPolarHBondContact O-CD 3.2Å; F518-F525 HydrophobicContact CD1-CB 4.36Å; F518-F525 AromaticContact CD1-CD1 3.89Å; F518-F525 HydrophobicContact CD1-CD1 3.89Å; F518-F525 AromaticContact CD1-CD2 3.76Å; F518-F525 HydrophobicContact CD1-CD2 3.76Å; F518-F525 HydrophobicContact CD1-CE1 4.1Å; F518-F525 AromaticContact CD1-CE2 3.96Å; F518-F525 HydrophobicContact CD1-CE2 3.96Å; F518-F525 AromaticContact CD1-CG 3.75Å; F518-F525 HydrophobicContact CD1-CG 3.75Å; F518-F525 HydrophobicContact CD1-CZ 4.13Å; F518-F525 AromaticContact CE1-CD1 3.64Å; F518-F525 HydrophobicContact CE1-CD1 3.64Å; F518-F525 AromaticContact CE1-CD2 3.98Å; F518-F525 HydrophobicContact CE1-CD2 3.98Å; F518-F525 AromaticContact CE1-CE1 3.41Å; F518-F525 HydrophobicContact CE1-CE1 3.41Å; F518-F525 VanDerWaalsContact CE1-CE1 3.41Å; F518-F525 AromaticContact CE1-CE2 3.75Å; F518-F525 HydrophobicContact CE1-CE2 3.75Å; F518-F525 AromaticContact CE1-CG 3.94Å; F518-F525 HydrophobicContact CE1-CG 3.94Å; F518-F525 AromaticContact CE1-CZ 3.47Å; F518-F525 HydrophobicContact CE1-CZ 3.47Å; F518-F525 VanDerWaalsContact CE1-CZ 3.47Å; F518-F525 HydrophobicContact CG-CD2 4.46Å; F518-F525 HydrophobicContact CZ-CE1 4.16Å; F518-F525 HydrophobicContact CZ-CE2 4.22Å; F518-F525 AromaticContact CZ-CZ 3.87Å; F518-F525 HydrophobicContact CZ-CZ 3.87Å; F518-M533 HydrophobicContact CB-CE 4.14Å; F518-M533 HydrophobicContact CD1-CB 4.11Å; F518-M533 HydrophobicContact CD1-CE 4.12Å; F518-M533 HydrophobicContact CD1-CG 4.34Å; F518-M533 HydrophobicContact CE1-CB 4.46Å; F518-M533 WeakPolarHBondContact O-CE 3.39Å; F518-I552 HydrophobicContact CE2-CG2 4.07Å; F518-I552 HydrophobicContact CZ-CG2 4.19Å; F518-V565 HydrophobicContact CB-CG2 4.46Å; F518-V565 HydrophobicContact CD1-CG1 3.83Å; F518-V565 HydrophobicContact CD2-CB 4.5Å; F518-V565 HydrophobicContact CD2-CG1 3.96Å; F518-V565 HydrophobicContact CD2-CG2 3.7Å; F518-V565 HydrophobicContact CE1-CG1 3.81Å; F518-V565 HydrophobicContact CE2-CG1 3.96Å; F518-V565 HydrophobicContact CE2-CG2 4.13Å; F518-V565 HydrophobicContact CG-CG1 3.91Å; F518-V565 HydrophobicContact CG-CG2 4.1Å; F518-V565 HydrophobicContact CZ-CG1 3.89Å; F518-L567 HydrophobicContact CD1-CD2 4.48Å; F518-L567 HydrophobicContact CE1-CD2 3.53Å; F518-L567 HydrophobicContact CZ-CD2 3.9Å; F518-F670 HydrophobicContact CZ-CE2 4.15Å; F518-F670 HydrophobicContact CZ-CZ 4.44Å |
| 519 | D | 86.6 | Confident | 89.2 | Confident | 58 Ų | 58 | 40.5 Ų | 40.5 | 31% | 0.31 | 22% | 0.219 | S | C | . | . | trans | -72.2 | 122.3 | 168.8 | -177.2 | -7 | 0 | 0 | 0 | 109.8 | T515 R516 V517 S521 L522 | T515-D519 PolarHBondContact O-N 3.04Å; R516-D519 IonicContact NH1-OD2 2.73Å; R516-D519 PolarHBondContact NH1-OD2 2.94Å; R516-D519 VanDerWaalsContact O-CB 3.23Å; R516-D519 WeakPolarHBondContact O-CB 3.44Å; R516-D519 PolarHBondContact O-N 3.34Å; R516-D519 VanDerWaalsContact O-N 3.15Å; V517-D519 VanDerWaalsContact C-N 3.28Å; D519-S521 PolarHBondContact O-N 3.13Å; D519-S521 WeakPolarHBondContact OD1-CB 3.11Å; D519-S521 PolarHBondContact OD1-N 3.4Å; D519-S521 PolarHBondContact OD1-OG 2.97Å; D519-S521 PolarHBondContact OD2-OG 3.34Å; D519-L522 PolarHBondContact O-N 3.33Å; D519-L522 VanDerWaalsContact O-N 3.09Å | ||
| 520 | P | 85.5 | Confident | 89 | Confident | 59 Ų | 59 | 46.4 Ų | 46.4 | 38% | 0.383 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -55.1 | -23.2 | 175.6 | -25.5 | 35.4 | 0 | 0 | 0 | 114.1 | F518 L522 N523 L527 M533 | F518-P520 WeakPolarHBondContact O-CD 3.2Å; P520-L522 PolarHBondContact O-N 3.24Å; P520-N523 PolarHBondContact O-N 2.86Å; P520-N523 VanDerWaalsContact O-N 3.08Å; P520-L527 HydrophobicContact CG-CD1 4.17Å; P520-L527 HydrophobicContact CG-CG 4.18Å; P520-M533 HydrophobicContact CG-CE 4.28Å |
| 521 | S | 87.7 | Confident | 88.8 | Confident | 82 Ų | 82 | 48 Ų | 48 | 57% | 0.573 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -60.4 | -25.4 | 177.3 | 78.1 | 0 | 0 | 0 | 0 | 113.7 | D519 N523 | D519-S521 PolarHBondContact O-N 3.13Å; D519-S521 WeakPolarHBondContact OD1-CB 3.11Å; D519-S521 PolarHBondContact OD1-N 3.4Å; D519-S521 PolarHBondContact OD1-OG 2.97Å; D519-S521 PolarHBondContact OD2-OG 3.34Å; S521-N523 VanDerWaalsContact C-N 3.3Å; S521-N523 PolarHBondContact O-N 3.34Å |
| 522 | L | 90.2 | Very high | 89.2 | Confident | 40 Ų | 40 | 49.9 Ų | 49.9 | 21% | 0.209 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -80.8 | -6.5 | 177.9 | -67.8 | -175.1 | 0 | 0 | 0 | 113.9 | R516 D519 P520 L524 | R516-L522 HydrophobicContact CG-CD1 4.33Å; R516-L522 WeakPolarHBondContact O-CD1 3.32Å; D519-L522 PolarHBondContact O-N 3.33Å; D519-L522 VanDerWaalsContact O-N 3.09Å; P520-L522 PolarHBondContact O-N 3.24Å; L522-L524 HydrophobicContact CB-CD1 4.42Å; L522-L524 HydrophobicContact CB-CG 4.29Å; L522-L524 PolarHBondContact O-N 3.39Å; L522-L524 VanDerWaalsContact O-N 3.08Å |
| 523 | N | 91.6 | Very high | 89.5 | Confident | 39 Ų | 39 | 48 Ų | 48 | 21% | 0.209 | 26% | 0.264 | C | S | . | . | S | Bend | trans | 57 | 19.3 | -176.5 | -178.9 | 44.5 | 0 | 0 | 0 | 113.9 | P520 S521 S536 T538 S539 | P520-N523 PolarHBondContact O-N 2.86Å; P520-N523 VanDerWaalsContact O-N 3.08Å; S521-N523 VanDerWaalsContact C-N 3.3Å; S521-N523 PolarHBondContact O-N 3.34Å; N523-S536 VanDerWaalsContact O-CB 3.23Å; N523-S536 WeakPolarHBondContact O-CB 3.43Å; N523-S536 PolarHBondContact OD1-OG 3.23Å; N523-T538 PolarHBondContact ND2-O 3.22Å; N523-T538 PolarHBondContact OD1-OG1 3.09Å; N523-S539 WeakPolarHBondContact O-CA 3.28Å |
| 524 | L | 94.9 | Very high | 89.6 | Confident | 8 Ų | 8 | 48.9 Ų | 48.9 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -82.8 | -45.9 | 170.1 | -65.4 | 176.4 | 0 | 0 | 0 | 110.5 | L522 S536 Q542 F549 I552 | L522-L524 HydrophobicContact CB-CD1 4.42Å; L522-L524 HydrophobicContact CB-CG 4.29Å; L522-L524 PolarHBondContact O-N 3.39Å; L522-L524 VanDerWaalsContact O-N 3.08Å; L524-S536 WeakPolarHBondContact O-CB 3.22Å; L524-S536 PolarHBondContact O-N 3.36Å; L524-Q542 HydrophobicContact CD2-CB 4.48Å; L524-Q542 HydrophobicContact CD2-CG 4.3Å; L524-F549 HydrophobicContact CB-CZ 4.46Å; L524-F549 HydrophobicContact CD2-CE2 4.43Å; L524-F549 WeakPolarHBondContact O-CZ 2.93Å; L524-I552 HydrophobicContact CD1-CD1 3.89Å |
| 525 | F | 94.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 158 | 176.7 | -64.6 | -98 | 0 | 0 | 0 | 111.4 | V517 F518 M533 Y534 P535 F549 I552 F670 | V517-F525 WeakPolarHBondContact O-CD2 3.37Å; F518-F525 HydrophobicContact CD1-CB 4.36Å; F518-F525 AromaticContact CD1-CD1 3.89Å; F518-F525 HydrophobicContact CD1-CD1 3.89Å; F518-F525 AromaticContact CD1-CD2 3.76Å; F518-F525 HydrophobicContact CD1-CD2 3.76Å; F518-F525 HydrophobicContact CD1-CE1 4.1Å; F518-F525 AromaticContact CD1-CE2 3.96Å; F518-F525 HydrophobicContact CD1-CE2 3.96Å; F518-F525 AromaticContact CD1-CG 3.75Å; F518-F525 HydrophobicContact CD1-CG 3.75Å; F518-F525 HydrophobicContact CD1-CZ 4.13Å; F518-F525 AromaticContact CE1-CD1 3.64Å; F518-F525 HydrophobicContact CE1-CD1 3.64Å; F518-F525 AromaticContact CE1-CD2 3.98Å; F518-F525 HydrophobicContact CE1-CD2 3.98Å; F518-F525 AromaticContact CE1-CE1 3.41Å; F518-F525 HydrophobicContact CE1-CE1 3.41Å; F518-F525 VanDerWaalsContact CE1-CE1 3.41Å; F518-F525 AromaticContact CE1-CE2 3.75Å; F518-F525 HydrophobicContact CE1-CE2 3.75Å; F518-F525 AromaticContact CE1-CG 3.94Å; F518-F525 HydrophobicContact CE1-CG 3.94Å; F518-F525 AromaticContact CE1-CZ 3.47Å; F518-F525 HydrophobicContact CE1-CZ 3.47Å; F518-F525 VanDerWaalsContact CE1-CZ 3.47Å; F518-F525 HydrophobicContact CG-CD2 4.46Å; F518-F525 HydrophobicContact CZ-CE1 4.16Å; F518-F525 HydrophobicContact CZ-CE2 4.22Å; F518-F525 AromaticContact CZ-CZ 3.87Å; F518-F525 HydrophobicContact CZ-CZ 3.87Å; F525-M533 HydrophobicContact CB-CE 3.43Å; F525-M533 VanDerWaalsContact CB-CE 3.43Å; F525-M533 HydrophobicContact CG-CE 4.36Å; F525-Y534 CarbonylContact C-O 3.5Å; F525-Y534 VanDerWaalsContact CA-O 3.26Å; F525-Y534 WeakPolarHBondContact CA-O 3.44Å; F525-Y534 WeakPolarHBondContact CB-O 3.19Å; F525-Y534 VanDerWaalsContact CD1-C 3.49Å; F525-P535 HydrophobicContact CD1-CG 4.45Å; F525-P535 HydrophobicContact CE1-CG 4.12Å; F525-F549 HydrophobicContact CD2-CE1 4.44Å; F525-F549 HydrophobicContact CE1-CE1 4.02Å; F525-F549 HydrophobicContact CE2-CD1 4.35Å; F525-F549 AromaticContact CE2-CE1 3.88Å; F525-F549 HydrophobicContact CE2-CE1 3.88Å; F525-F549 AromaticContact CZ-CD1 3.94Å; F525-F549 HydrophobicContact CZ-CD1 3.94Å; F525-F549 AromaticContact CZ-CE1 3.64Å; F525-F549 HydrophobicContact CZ-CE1 3.64Å; F525-I552 HydrophobicContact CE2-CD1 4.04Å; F525-I552 HydrophobicContact CE2-CG2 4.13Å; F525-I552 HydrophobicContact CZ-CG2 4.16Å; F525-F670 HydrophobicContact CE1-CE2 4.43Å; F525-F670 HydrophobicContact CZ-CD2 4.07Å; F525-F670 AromaticContact CZ-CE2 3.95Å; F525-F670 HydrophobicContact CZ-CE2 3.95Å |
| 526 | K | 90.5 | Very high | 90.3 | Very high | 66 Ų | 66 | 43.9 Ų | 43.9 | 29% | 0.287 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 158.5 | 174.8 | -74.8 | 176.1 | 175.5 | 161.6 | 0 | 109.9 | M533 Y534 S536 T538 | K526-M533 WeakPolarHBondContact O-CA 3.48Å; K526-Y534 HydrophobicContact CB-CE1 3.99Å; K526-Y534 HydrophobicContact CB-CE2 4.39Å; K526-Y534 PolarHBondContact N-O 3.12Å; K526-Y534 VanDerWaalsContact O-CD1 3.28Å; K526-Y534 WeakPolarHBondContact O-CD1 3.39Å; K526-Y534 PolarHBondContact O-N 3.11Å; K526-S536 WeakPolarHBondContact CE-OG 3.08Å; K526-S536 PolarHBondContact NZ-OG 3.47Å; K526-T538 PolarHBondContact NZ-OG1 3.14Å |
| 527 | L | 90.5 | Very high | 90.3 | Very high | 93 Ų | 93 | 40 Ų | 40 | 49% | 0.487 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 135.8 | 174.1 | -69.9 | 165.1 | 0 | 0 | 0 | 109.8 | P520 G531 H532 M533 | P520-L527 HydrophobicContact CG-CD1 4.17Å; P520-L527 HydrophobicContact CG-CG 4.18Å; L527-G531 WeakPolarHBondContact CD2-O 3.37Å; L527-H532 CarbonylContact C-O 3.54Å; L527-M533 HydrophobicContact CD2-CG 4.42Å; L527-M533 HydrophobicContact CD2-SD 3.27Å; L527-M533 WeakPolarHBondContact CD2-SD 3.43Å; L527-M533 HydrophobicContact CG-SD 3.9Å |
| 528 | S | 89.2 | Confident | 90.2 | Very high | 11 Ų | 11 | 41.3 Ų | 41.3 | 8% | 0.077 | 24% | 0.235 | C | C | . | . | trans | -76.7 | 177.5 | 170.1 | 82.9 | 0 | 0 | 0 | 0 | 111.4 | E530 G531 H532 S592 | S528-E530 PolarHBondContact O-N 3.49Å; S528-E530 PolarHBondContact OG-N 3.21Å; S528-G531 PolarHBondContact O-N 3.16Å; S528-H532 WeakPolarHBondContact CB-O 3.45Å; S528-H532 PolarHBondContact N-O 2.86Å; S528-H532 PolarHBondContact OG-N 2.89Å; S528-H532 PolarHBondContact OG-O 2.87Å; S528-S592 WeakPolarHBondContact CB-O 3.5Å; S528-S592 PolarHBondContact OG-O 3.34Å | ||
| 529 | T | 85.4 | Confident | 90.3 | Very high | 82 Ų | 82 | 40.7 Ų | 40.7 | 50% | 0.503 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -33.6 | 174.5 | -54.2 | 0 | 0 | 0 | 0 | 112.3 | G531 L593 A595 | T529-G531 VanDerWaalsContact C-N 3.32Å; T529-L593 PolarHBondContact N-O 3Å; T529-L593 PolarHBondContact OG1-O 3.32Å; T529-L593 VanDerWaalsContact OG1-O 3.1Å; T529-A595 HydrophobicContact CG2-CB 4.01Å; T529-A595 PolarHBondContact OG1-N 3.2Å |
| 530 | E | 83.6 | Confident | 90.4 | Very high | 124 Ų | 124 | 41.1 Ų | 41.1 | 58% | 0.579 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | 3.5 | 177.9 | -60.7 | -60.4 | 138.6 | 0 | 0 | 113.9 | S528 H532 | S528-E530 PolarHBondContact O-N 3.49Å; S528-E530 PolarHBondContact OG-N 3.21Å; E530-H532 VanDerWaalsContact C-N 3.31Å; E530-H532 PolarHBondContact O-N 3.42Å |
| 531 | G | 85 | Confident | 90.5 | Very high | 39 Ų | 39 | 42.7 Ų | 42.7 | 40% | 0.402 | 24% | 0.243 | S | C | . | . | S | Bend | trans | 74.3 | 18.9 | -175 | 0 | 0 | 0 | 0 | 0 | 114.1 | L527 S528 T529 | L527-G531 WeakPolarHBondContact CD2-O 3.37Å; S528-G531 PolarHBondContact O-N 3.16Å; T529-G531 VanDerWaalsContact C-N 3.32Å |
| 532 | H | 90.6 | Very high | 90.5 | Very high | 62 Ų | 62 | 42.8 Ų | 42.8 | 29% | 0.287 | 24% | 0.235 | S | C | . | . | trans | -91.6 | 143.7 | 175.2 | -60.7 | 146.1 | 0 | 0 | 0 | 111.7 | L527 S528 E530 A568 | L527-H532 CarbonylContact C-O 3.54Å; S528-H532 WeakPolarHBondContact CB-O 3.45Å; S528-H532 PolarHBondContact N-O 2.86Å; S528-H532 PolarHBondContact OG-N 2.89Å; S528-H532 PolarHBondContact OG-O 2.87Å; E530-H532 VanDerWaalsContact C-N 3.31Å; E530-H532 PolarHBondContact O-N 3.42Å; H532-A568 HydrophobicContact CB-CB 4.12Å | ||
| 533 | M | 92.6 | Very high | 90.4 | Very high | 16 Ų | 16 | 48.6 Ų | 48.6 | 8% | 0.079 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 135 | -173.4 | -59.5 | -63 | -66.2 | 0 | 0 | 112 | F518 P520 F525 K526 L527 F566 L567 A568 | F518-M533 HydrophobicContact CB-CE 4.14Å; F518-M533 HydrophobicContact CD1-CB 4.11Å; F518-M533 HydrophobicContact CD1-CE 4.12Å; F518-M533 HydrophobicContact CD1-CG 4.34Å; F518-M533 HydrophobicContact CE1-CB 4.46Å; F518-M533 WeakPolarHBondContact O-CE 3.39Å; P520-M533 HydrophobicContact CG-CE 4.28Å; F525-M533 HydrophobicContact CB-CE 3.43Å; F525-M533 VanDerWaalsContact CB-CE 3.43Å; F525-M533 HydrophobicContact CG-CE 4.36Å; K526-M533 WeakPolarHBondContact O-CA 3.48Å; L527-M533 HydrophobicContact CD2-CG 4.42Å; L527-M533 HydrophobicContact CD2-SD 3.27Å; L527-M533 WeakPolarHBondContact CD2-SD 3.43Å; L527-M533 HydrophobicContact CG-SD 3.9Å; M533-F566 VanDerWaalsContact CB-O 3.31Å; M533-F566 WeakPolarHBondContact CB-O 3.5Å; M533-F566 WeakPolarHBondContact CG-O 3.21Å; M533-F566 PolarHBondContact N-O 2.99Å; M533-L567 HydrophobicContact CB-CD2 4.26Å; M533-L567 WeakPolarHBondContact O-CA 3.33Å; M533-A568 PolarHBondContact O-N 3.24Å |
| 534 | Y | 94.5 | Very high | 90.3 | Very high | 18 Ų | 18 | 51.7 Ų | 51.7 | 7% | 0.071 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 157.5 | 171.5 | 70.1 | -81.7 | 0 | 0 | 0 | 111.4 | F525 K526 S536 F570 L593 | F525-Y534 CarbonylContact C-O 3.5Å; F525-Y534 VanDerWaalsContact CA-O 3.26Å; F525-Y534 WeakPolarHBondContact CA-O 3.44Å; F525-Y534 WeakPolarHBondContact CB-O 3.19Å; F525-Y534 VanDerWaalsContact CD1-C 3.49Å; K526-Y534 HydrophobicContact CB-CE1 3.99Å; K526-Y534 HydrophobicContact CB-CE2 4.39Å; K526-Y534 PolarHBondContact N-O 3.12Å; K526-Y534 VanDerWaalsContact O-CD1 3.28Å; K526-Y534 WeakPolarHBondContact O-CD1 3.39Å; K526-Y534 PolarHBondContact O-N 3.11Å; Y534-S536 PolarHBondContact O-N 2.94Å; Y534-F570 VanDerWaalsContact CB-CZ 3.42Å; Y534-F570 AromaticContact CD2-CZ 3.99Å; Y534-F570 HydrophobicContact CD2-CZ 3.99Å; Y534-F570 HydrophobicContact CG-CE1 4.4Å; Y534-F570 AromaticContact CG-CZ 3.79Å; Y534-F570 HydrophobicContact CG-CZ 3.79Å; Y534-L593 HydrophobicContact CD1-CD1 3.55Å; Y534-L593 HydrophobicContact CD2-CD1 3.79Å; Y534-L593 HydrophobicContact CE1-CD1 3.37Å; Y534-L593 HydrophobicContact CE2-CD1 3.65Å; Y534-L593 HydrophobicContact CG-CD1 3.76Å; Y534-L593 VanDerWaalsContact CZ-CD1 3.43Å |
| 535 | P | 96 | Very high | 90.3 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 139.2 | -179.7 | -27.1 | 35.9 | 0 | 0 | 0 | 113 | F525 F549 I663 Q666 L667 | F525-P535 HydrophobicContact CD1-CG 4.45Å; F525-P535 HydrophobicContact CE1-CG 4.12Å; P535-F549 HydrophobicContact CB-CE1 3.79Å; P535-F549 HydrophobicContact CB-CZ 3.97Å; P535-F549 HydrophobicContact CG-CE1 4.11Å; P535-I663 HydrophobicContact CB-CB 4.32Å; P535-I663 HydrophobicContact CB-CG2 4.42Å; P535-I663 WeakPolarHBondContact O-CG2 3.26Å; P535-Q666 HydrophobicContact CB-CB 3.72Å; P535-Q666 HydrophobicContact CB-CG 4.3Å; P535-Q666 HydrophobicContact CG-CB 4.32Å; P535-L667 HydrophobicContact CG-CD2 3.91Å; P535-L667 HydrophobicContact CG-CG 4.32Å |
| 536 | S | 93.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.299 | C | S | . | . | trans | -75.7 | 132 | 175.4 | -177.2 | 0 | 0 | 0 | 0 | 111 | N523 L524 K526 Y534 T538 S539 Q666 | N523-S536 VanDerWaalsContact O-CB 3.23Å; N523-S536 WeakPolarHBondContact O-CB 3.43Å; N523-S536 PolarHBondContact OD1-OG 3.23Å; L524-S536 WeakPolarHBondContact O-CB 3.22Å; L524-S536 PolarHBondContact O-N 3.36Å; K526-S536 WeakPolarHBondContact CE-OG 3.08Å; K526-S536 PolarHBondContact NZ-OG 3.47Å; Y534-S536 PolarHBondContact O-N 2.94Å; S536-T538 PolarHBondContact O-N 3.07Å; S536-T538 PolarHBondContact OG-N 3.46Å; S536-T538 PolarHBondContact OG-OG1 2.81Å; S536-S539 WeakPolarHBondContact O-CB 3.4Å; S536-S539 PolarHBondContact O-N 2.95Å; S536-S539 PolarHBondContact O-OG 3.18Å; S536-Q666 PolarHBondContact O-NE2 3.47Å | ||
| 537 | S | 90.5 | Very high | 90.5 | Very high | 27 Ų | 27 | 54.7 Ų | 54.7 | 19% | 0.189 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -61.7 | -30 | 171.2 | 58.6 | 0 | 0 | 0 | 0 | 112.4 | S539 | S537-S539 VanDerWaalsContact C-N 3.31Å; S537-S539 PolarHBondContact O-N 2.89Å |
| 538 | T | 90.7 | Very high | 90.8 | Very high | 30 Ų | 30 | 51.5 Ų | 51.5 | 18% | 0.184 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -88.8 | 9.4 | -179.9 | 50.5 | 0 | 0 | 0 | 0 | 113.3 | N523 K526 S536 C540 L541 | N523-T538 PolarHBondContact ND2-O 3.22Å; N523-T538 PolarHBondContact OD1-OG1 3.09Å; K526-T538 PolarHBondContact NZ-OG1 3.14Å; S536-T538 PolarHBondContact O-N 3.07Å; S536-T538 PolarHBondContact OG-N 3.46Å; S536-T538 PolarHBondContact OG-OG1 2.81Å; T538-C540 PolarHBondContact O-N 3.4Å; T538-L541 WeakPolarHBondContact O-CB 3.44Å; T538-L541 WeakPolarHBondContact O-CG 3.47Å; T538-L541 PolarHBondContact O-N 2.88Å |
| 539 | S | 92.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -65.4 | -17.5 | 177 | 67.6 | 0 | 0 | 0 | 0 | 112.9 | N523 S536 S537 L541 Q542 Y545 F549 Q666 | N523-S539 WeakPolarHBondContact O-CA 3.28Å; S536-S539 WeakPolarHBondContact O-CB 3.4Å; S536-S539 PolarHBondContact O-N 2.95Å; S536-S539 PolarHBondContact O-OG 3.18Å; S537-S539 VanDerWaalsContact C-N 3.31Å; S537-S539 PolarHBondContact O-N 2.89Å; S539-L541 PolarHBondContact O-N 3.17Å; S539-L541 VanDerWaalsContact O-N 3.09Å; S539-Q542 WeakPolarHBondContact O-CB 3.49Å; S539-Q542 PolarHBondContact O-N 2.93Å; S539-Y545 WeakPolarHBondContact O-CB 3.42Å; S539-F549 WeakPolarHBondContact OG-CE2 3.42Å; S539-Q666 VanDerWaalsContact OG-CG 3.24Å; S539-Q666 WeakPolarHBondContact OG-CG 3.27Å; S539-Q666 PolarHBondContact OG-NE2 3.29Å |
| 540 | C | 88.6 | Confident | 91.7 | Very high | 67 Ų | 67 | 48.8 Ų | 48.8 | 45% | 0.453 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -58.7 | -17.2 | 175.2 | 60.1 | 0 | 0 | 0 | 0 | 113.6 | T538 Q542 Y545 | T538-C540 PolarHBondContact O-N 3.4Å; C540-Q542 VanDerWaalsContact C-N 3.26Å; C540-Q542 PolarHBondContact O-N 3.5Å; C540-Y545 HydrophobicContact CB-CD1 4.47Å; C540-Y545 HydrophobicContact CB-CE1 4.07Å; C540-Y545 HydrophobicContact CB-CE2 4.5Å |
| 541 | L | 87.8 | Confident | 92.3 | Very high | 92 Ų | 92 | 43 Ų | 43 | 48% | 0.482 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -71.7 | -18.8 | 173.4 | -59.5 | 176.9 | 0 | 0 | 0 | 113.2 | T538 S539 M625 | T538-L541 WeakPolarHBondContact O-CB 3.44Å; T538-L541 WeakPolarHBondContact O-CG 3.47Å; T538-L541 PolarHBondContact O-N 2.88Å; S539-L541 PolarHBondContact O-N 3.17Å; S539-L541 VanDerWaalsContact O-N 3.09Å; L541-M625 HydrophobicContact CD1-SD 4.12Å; L541-M625 HydrophobicContact CD2-CE 3.98Å; L541-M625 HydrophobicContact CD2-SD 3.7Å |
| 542 | Q | 87.5 | Confident | 92.8 | Very high | 85 Ų | 85 | 41.1 Ų | 41.1 | 40% | 0.397 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -84.3 | 138.3 | 174.4 | -72.8 | -64 | -10 | 0 | 0 | 111.2 | L524 S539 C540 N544 Y545 | L524-Q542 HydrophobicContact CD2-CB 4.48Å; L524-Q542 HydrophobicContact CD2-CG 4.3Å; S539-Q542 WeakPolarHBondContact O-CB 3.49Å; S539-Q542 PolarHBondContact O-N 2.93Å; C540-Q542 VanDerWaalsContact C-N 3.26Å; C540-Q542 PolarHBondContact O-N 3.5Å; Q542-N544 PolarHBondContact O-N 2.96Å; Q542-Y545 WeakPolarHBondContact O-CB 3.15Å; Q542-Y545 PolarHBondContact O-N 3.14Å |
| 543 | E | 87.3 | Confident | 93.1 | Very high | 162 Ų | 162 | 38.2 Ų | 38.2 | 76% | 0.757 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 137.1 | 173.5 | -66.4 | -173.4 | 178.8 | 0 | 0 | 110.5 | Y545 | E543-Y545 PolarHBondContact O-N 2.77Š|
| 544 | N | 90.5 | Very high | 93.2 | Very high | 104 Ų | 104 | 38.3 Ų | 38.3 | 56% | 0.556 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 23.6 | 177.1 | -53.2 | -49 | 0 | 0 | 0 | 114.6 | Q542 V546 S547 L548 | Q542-N544 PolarHBondContact O-N 2.96Å; N544-V546 PolarHBondContact O-N 3.06Å; N544-S547 WeakPolarHBondContact CB-OG 3.33Å; N544-S547 PolarHBondContact O-N 3.27Å; N544-S547 PolarHBondContact O-OG 2.99Å; N544-L548 PolarHBondContact O-N 3.28Å |
| 545 | Y | 93.7 | Very high | 93.1 | Very high | 48 Ų | 48 | 37.6 Ų | 37.6 | 19% | 0.188 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -48.9 | -41.2 | -173.3 | 74.3 | -80.8 | 0 | 0 | 0 | 113.8 | S539 C540 Q542 E543 S547 L548 F549 Q666 | S539-Y545 WeakPolarHBondContact O-CB 3.42Å; C540-Y545 HydrophobicContact CB-CD1 4.47Å; C540-Y545 HydrophobicContact CB-CE1 4.07Å; C540-Y545 HydrophobicContact CB-CE2 4.5Å; Q542-Y545 WeakPolarHBondContact O-CB 3.15Å; Q542-Y545 PolarHBondContact O-N 3.14Å; E543-Y545 PolarHBondContact O-N 2.77Å; Y545-S547 PolarHBondContact O-N 3.4Å; Y545-L548 WeakPolarHBondContact O-CB 3.41Å; Y545-L548 PolarHBondContact O-N 3.31Å; Y545-L548 VanDerWaalsContact O-N 3.14Å; Y545-F549 HydrophobicContact CD2-CD2 4.27Å; Y545-F549 HydrophobicContact CD2-CE2 4.24Å; Y545-F549 WeakPolarHBondContact O-CD2 3.36Å; Y545-F549 PolarHBondContact O-N 3.39Å; Y545-Q666 HydrophobicContact CD2-CG 4.13Å; Y545-Q666 HydrophobicContact CE2-CG 4.17Å |
| 546 | V | 95.7 | Very high | 93 | Very high | 49 Ų | 49 | 37.7 Ų | 37.7 | 30% | 0.297 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -57.2 | -49.5 | 178 | -176.9 | 0 | 0 | 0 | 0 | 111.1 | N544 L548 F549 E550 D665 A669 | N544-V546 PolarHBondContact O-N 3.06Å; V546-L548 VanDerWaalsContact C-N 3.31Å; V546-L548 PolarHBondContact O-N 3.03Å; V546-F549 PolarHBondContact O-N 2.76Å; V546-E550 PolarHBondContact O-N 3.01Å; V546-E550 VanDerWaalsContact O-N 3.1Å; V546-D665 HydrophobicContact CG2-CB 4.44Å; V546-A669 HydrophobicContact CG1-CB 3.71Å; V546-A669 WeakPolarHBondContact O-CB 3.29Å |
| 547 | S | 95.2 | Very high | 92.9 | Very high | 39 Ų | 39 | 38 Ų | 38 | 27% | 0.273 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -70.2 | -28.2 | 178.7 | 69 | 0 | 0 | 0 | 0 | 112.9 | Y470 N544 Y545 E550 F551 | Y470-S547 PolarHBondContact OH-OG 3.42Å; N544-S547 WeakPolarHBondContact CB-OG 3.33Å; N544-S547 PolarHBondContact O-N 3.27Å; N544-S547 PolarHBondContact O-OG 2.99Å; Y545-S547 PolarHBondContact O-N 3.4Å; S547-E550 PolarHBondContact O-N 2.63Å; S547-F551 WeakPolarHBondContact O-CB 3.18Å; S547-F551 PolarHBondContact O-N 3.42Å |
| 548 | L | 95.6 | Very high | 92.9 | Very high | 26 Ų | 26 | 38.4 Ų | 38.4 | 14% | 0.136 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.1 | -44.4 | 171.2 | -73.7 | 170.2 | 0 | 0 | 0 | 110.7 | Y470 N544 Y545 V546 E550 F551 I552 | Y470-L548 HydrophobicContact CD1-CD2 4.21Å; Y470-L548 HydrophobicContact CD2-CD2 3.62Å; Y470-L548 HydrophobicContact CE1-CD2 4.45Å; Y470-L548 HydrophobicContact CE2-CD2 3.88Å; Y470-L548 HydrophobicContact CE2-CG 4.32Å; Y470-L548 HydrophobicContact CG-CD2 3.79Å; N544-L548 PolarHBondContact O-N 3.28Å; Y545-L548 WeakPolarHBondContact O-CB 3.41Å; Y545-L548 PolarHBondContact O-N 3.31Å; Y545-L548 VanDerWaalsContact O-N 3.14Å; V546-L548 VanDerWaalsContact C-N 3.31Å; V546-L548 PolarHBondContact O-N 3.03Å; L548-E550 VanDerWaalsContact C-N 3.33Å; L548-E550 PolarHBondContact O-N 3.38Å; L548-F551 WeakPolarHBondContact O-CB 3.4Å; L548-F551 PolarHBondContact O-N 3.21Å; L548-I552 WeakPolarHBondContact O-CD1 3.27Å; L548-I552 WeakPolarHBondContact O-CG1 3.25Å; L548-I552 PolarHBondContact O-N 2.98Å |
| 549 | F | 97.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.3 | -42.2 | 174.2 | -82.6 | -73.9 | 0 | 0 | 0 | 112.4 | L524 F525 P535 S539 Y545 V546 I552 G553 Q666 A669 F670 | L524-F549 HydrophobicContact CB-CZ 4.46Å; L524-F549 HydrophobicContact CD2-CE2 4.43Å; L524-F549 WeakPolarHBondContact O-CZ 2.93Å; F525-F549 HydrophobicContact CD2-CE1 4.44Å; F525-F549 HydrophobicContact CE1-CE1 4.02Å; F525-F549 HydrophobicContact CE2-CD1 4.35Å; F525-F549 AromaticContact CE2-CE1 3.88Å; F525-F549 HydrophobicContact CE2-CE1 3.88Å; F525-F549 AromaticContact CZ-CD1 3.94Å; F525-F549 HydrophobicContact CZ-CD1 3.94Å; F525-F549 AromaticContact CZ-CE1 3.64Å; F525-F549 HydrophobicContact CZ-CE1 3.64Å; P535-F549 HydrophobicContact CB-CE1 3.79Å; P535-F549 HydrophobicContact CB-CZ 3.97Å; P535-F549 HydrophobicContact CG-CE1 4.11Å; S539-F549 WeakPolarHBondContact OG-CE2 3.42Å; Y545-F549 HydrophobicContact CD2-CD2 4.27Å; Y545-F549 HydrophobicContact CD2-CE2 4.24Å; Y545-F549 WeakPolarHBondContact O-CD2 3.36Å; Y545-F549 PolarHBondContact O-N 3.39Å; V546-F549 PolarHBondContact O-N 2.76Å; F549-I552 PolarHBondContact O-N 2.79Å; F549-G553 PolarHBondContact O-N 3.04Å; F549-Q666 HydrophobicContact CD1-CB 4.15Å; F549-Q666 HydrophobicContact CD2-CB 3.7Å; F549-Q666 HydrophobicContact CD2-CG 3.63Å; F549-Q666 HydrophobicContact CE1-CB 4.06Å; F549-Q666 HydrophobicContact CE1-CG 4.41Å; F549-Q666 HydrophobicContact CE2-CB 3.64Å; F549-Q666 HydrophobicContact CE2-CG 3.21Å; F549-Q666 HydrophobicContact CG-CB 3.98Å; F549-Q666 HydrophobicContact CG-CG 4.4Å; F549-Q666 HydrophobicContact CZ-CB 3.79Å; F549-Q666 HydrophobicContact CZ-CG 3.63Å; F549-A669 HydrophobicContact CB-CB 4.03Å; F549-F670 HydrophobicContact CB-CB 4.19Å; F549-F670 HydrophobicContact CD1-CB 4.31Å; F549-F670 HydrophobicContact CD1-CD2 4.42Å; F549-F670 WeakPolarHBondContact O-CA 3.39Å |
| 550 | E | 97 | Very high | 91.2 | Very high | 36 Ų | 36 | 40 Ų | 40 | 17% | 0.168 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.2 | -46 | 174 | -170.6 | 176.1 | 139.6 | 0 | 0 | 112 | V546 S547 L548 I552 G553 R554 A669 R672 G673 | V546-E550 PolarHBondContact O-N 3.01Å; V546-E550 VanDerWaalsContact O-N 3.1Å; S547-E550 PolarHBondContact O-N 2.63Å; L548-E550 VanDerWaalsContact C-N 3.33Å; L548-E550 PolarHBondContact O-N 3.38Å; E550-I552 PolarHBondContact O-N 3.23Å; E550-G553 PolarHBondContact O-N 3.34Å; E550-R554 WeakPolarHBondContact O-CG 3.38Å; E550-R554 PolarHBondContact O-N 2.89Å; E550-R554 IonicContact OE1-CZ 2.69Å; E550-R554 IonicContact OE1-NE 3.76Å; E550-R554 IonicContact OE1-NH2 2.58Å; E550-R554 PolarHBondContact OE1-NH2 3.28Å; E550-A669 VanDerWaalsContact CA-O 3.25Å; E550-A669 WeakPolarHBondContact CA-O 3.43Å; E550-A669 HydrophobicContact CB-CB 4.24Å; E550-R672 IonicContact OE2-CZ 3.32Å; E550-R672 VanDerWaalsContact OE2-CZ 3.22Å; E550-R672 IonicContact OE2-NE 3.73Å; E550-R672 PolarHBondContact OE2-NE 3.17Å; E550-R672 IonicContact OE2-NH2 3.42Å; E550-R672 PolarHBondContact OE2-NH2 2.74Å; E550-G673 WeakPolarHBondContact O-CA 3.33Å |
| 551 | F | 96.4 | Very high | 90 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.009 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.8 | -44.8 | 174.4 | 168 | -108.4 | 0 | 0 | 0 | 112.2 | Y470 L473 V513 S547 L548 G553 R554 M555 | Y470-F551 HydrophobicContact CD2-CB 3.78Å; Y470-F551 HydrophobicContact CD2-CD1 4.08Å; Y470-F551 HydrophobicContact CD2-CD2 4.49Å; Y470-F551 AromaticContact CD2-CG 3.86Å; Y470-F551 HydrophobicContact CD2-CG 3.86Å; Y470-F551 HydrophobicContact CE2-CB 4.31Å; L473-F551 HydrophobicContact CB-CD2 4.49Å; L473-F551 HydrophobicContact CB-CE2 3.93Å; L473-F551 HydrophobicContact CD1-CE2 4.27Å; V513-F551 HydrophobicContact CG1-CE1 4.06Å; V513-F551 HydrophobicContact CG1-CZ 4.23Å; S547-F551 WeakPolarHBondContact O-CB 3.18Å; S547-F551 PolarHBondContact O-N 3.42Å; L548-F551 WeakPolarHBondContact O-CB 3.4Å; L548-F551 PolarHBondContact O-N 3.21Å; F551-G553 VanDerWaalsContact C-N 3.33Å; F551-G553 PolarHBondContact O-N 3.04Å; F551-R554 WeakPolarHBondContact O-CB 3.38Å; F551-R554 PolarHBondContact O-N 3.17Å; F551-R554 VanDerWaalsContact O-N 3.13Å; F551-M555 HydrophobicContact CD1-CG 4.43Å; F551-M555 HydrophobicContact CD2-CE 4.04Å; F551-M555 HydrophobicContact CD2-CG 4.1Å; F551-M555 HydrophobicContact CD2-SD 4.41Å; F551-M555 HydrophobicContact CE1-CG 3.95Å; F551-M555 HydrophobicContact CE2-CE 3.64Å; F551-M555 HydrophobicContact CE2-CG 3.57Å; F551-M555 HydrophobicContact CE2-SD 3.56Å; F551-M555 VanDerWaalsContact CE2-SD 3.56Å; F551-M555 HydrophobicContact CG-CG 4.5Å; F551-M555 HydrophobicContact CZ-CE 4.45Å; F551-M555 HydrophobicContact CZ-CG 3.49Å; F551-M555 VanDerWaalsContact CZ-CG 3.49Å; F551-M555 HydrophobicContact CZ-SD 3.78Å; F551-M555 WeakPolarHBondContact O-CG 3.18Å; F551-M555 PolarHBondContact O-N 3.44Å |
| 552 | I | 95.7 | Very high | 89 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.9 | -41.7 | 178.7 | -64 | 160.6 | 0 | 0 | 0 | 110.4 | V517 F518 L524 F525 L548 F549 E550 R554 M555 L556 F670 | V517-I552 HydrophobicContact CB-CD1 3.89Å; V517-I552 HydrophobicContact CB-CG1 3.98Å; V517-I552 HydrophobicContact CG1-CD1 4.25Å; V517-I552 HydrophobicContact CG1-CG1 4.09Å; V517-I552 HydrophobicContact CG2-CD1 4.23Å; V517-I552 HydrophobicContact CG2-CG1 3.94Å; V517-I552 HydrophobicContact CG2-CG2 3.8Å; F518-I552 HydrophobicContact CE2-CG2 4.07Å; F518-I552 HydrophobicContact CZ-CG2 4.19Å; L524-I552 HydrophobicContact CD1-CD1 3.89Å; F525-I552 HydrophobicContact CE2-CD1 4.04Å; F525-I552 HydrophobicContact CE2-CG2 4.13Å; F525-I552 HydrophobicContact CZ-CG2 4.16Å; L548-I552 WeakPolarHBondContact O-CD1 3.27Å; L548-I552 WeakPolarHBondContact O-CG1 3.25Å; L548-I552 PolarHBondContact O-N 2.98Å; F549-I552 PolarHBondContact O-N 2.79Å; E550-I552 PolarHBondContact O-N 3.23Å; I552-R554 VanDerWaalsContact C-N 3.3Å; I552-R554 PolarHBondContact O-N 3.04Å; I552-M555 PolarHBondContact O-N 3.44Å; I552-L556 WeakPolarHBondContact O-CB 3.35Å; I552-L556 PolarHBondContact O-N 3.19Å; I552-F670 HydrophobicContact CB-CD2 4.44Å; I552-F670 HydrophobicContact CG2-CD2 4.2Å; I552-F670 HydrophobicContact CG2-CE2 3.86Å |
| 553 | G | 95.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -55.7 | -45.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | F549 E550 F551 L556 G557 F670 G673 F674 | F549-G553 PolarHBondContact O-N 3.04Å; E550-G553 PolarHBondContact O-N 3.34Å; F551-G553 VanDerWaalsContact C-N 3.33Å; F551-G553 PolarHBondContact O-N 3.04Å; G553-L556 PolarHBondContact O-N 3.13Å; G553-G557 PolarHBondContact O-N 3.38Å; G553-F670 WeakPolarHBondContact CA-O 3.27Å; G553-G673 VanDerWaalsContact C-C 3.48Å; G553-F674 VanDerWaalsContact O-CA 3.28Å; G553-F674 WeakPolarHBondContact O-CA 3.3Å |
| 554 | R | 94.8 | Very high | 87.8 | Confident | 19 Ų | 19 | 28.1 Ų | 28.1 | 7% | 0.072 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.7 | -44.8 | 175.7 | -68.1 | 174.7 | -179.6 | -173 | 4.4 | 112.2 | S474 L476 L481 E550 F551 I552 G557 K558 G673 E676 L677 | S474-R554 PolarHBondContact O-NH1 3.48Å; L476-R554 PolarHBondContact O-NH1 2.93Å; L481-R554 HydrophobicContact CD1-CB 4.4Å; L481-R554 HydrophobicContact CD1-CG 4.46Å; E550-R554 WeakPolarHBondContact O-CG 3.38Å; E550-R554 PolarHBondContact O-N 2.89Å; E550-R554 IonicContact OE1-CZ 2.69Å; E550-R554 IonicContact OE1-NE 3.76Å; E550-R554 IonicContact OE1-NH2 2.58Å; E550-R554 PolarHBondContact OE1-NH2 3.28Å; F551-R554 WeakPolarHBondContact O-CB 3.38Å; F551-R554 PolarHBondContact O-N 3.17Å; F551-R554 VanDerWaalsContact O-N 3.13Å; I552-R554 VanDerWaalsContact C-N 3.3Å; I552-R554 PolarHBondContact O-N 3.04Å; R554-G557 PolarHBondContact O-N 3.07Å; R554-K558 WeakPolarHBondContact O-CB 3.19Å; R554-K558 PolarHBondContact O-N 3.28Å; R554-G673 WeakPolarHBondContact CA-O 3.45Å; R554-G673 VanDerWaalsContact CG-O 3.27Å; R554-G673 WeakPolarHBondContact CG-O 3.23Å; R554-G673 PolarHBondContact N-O 3.31Å; R554-E676 IonicContact CZ-OE1 2.73Å; R554-E676 IonicContact CZ-OE2 2.8Å; R554-E676 IonicContact NE-OE1 2.81Å; R554-E676 PolarHBondContact NE-OE1 3.36Å; R554-E676 IonicContact NE-OE2 3.04Å; R554-E676 PolarHBondContact NE-OE2 3.18Å; R554-E676 IonicContact NH1-OE2 3.02Å; R554-E676 VanDerWaalsContact NH2-CD 3.31Å; R554-E676 IonicContact NH2-OE1 3.39Å; R554-E676 PolarHBondContact NH2-OE1 3.12Å; R554-E676 IonicContact NH2-OE2 2.74Å; R554-E676 PolarHBondContact NH2-OE2 3.39Å; R554-E676 VanDerWaalsContact NH2-OE2 3.09Å; R554-L677 HydrophobicContact CB-CD2 3.8Å; R554-L677 HydrophobicContact CG-CD2 3.76Å |
| 555 | M | 93.9 | Very high | 87.4 | Confident | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64 | -43.2 | 179.4 | -66.1 | -53.8 | 93.8 | 0 | 0 | 111.3 | L473 F509 L510 V513 I514 F551 I552 K558 A559 | L473-M555 HydrophobicContact CB-CE 4.47Å; L473-M555 HydrophobicContact CD1-CE 4.03Å; L473-M555 HydrophobicContact CD1-SD 3.9Å; F509-M555 HydrophobicContact CE1-SD 4.25Å; L510-M555 HydrophobicContact CD2-CB 4.19Å; L510-M555 HydrophobicContact CD2-SD 3.73Å; V513-M555 HydrophobicContact CG1-CG 4.2Å; I514-M555 HydrophobicContact CG1-CB 4.46Å; F551-M555 HydrophobicContact CD1-CG 4.43Å; F551-M555 HydrophobicContact CD2-CE 4.04Å; F551-M555 HydrophobicContact CD2-CG 4.1Å; F551-M555 HydrophobicContact CD2-SD 4.41Å; F551-M555 HydrophobicContact CE1-CG 3.95Å; F551-M555 HydrophobicContact CE2-CE 3.64Å; F551-M555 HydrophobicContact CE2-CG 3.57Å; F551-M555 HydrophobicContact CE2-SD 3.56Å; F551-M555 VanDerWaalsContact CE2-SD 3.56Å; F551-M555 HydrophobicContact CG-CG 4.5Å; F551-M555 HydrophobicContact CZ-CE 4.45Å; F551-M555 HydrophobicContact CZ-CG 3.49Å; F551-M555 VanDerWaalsContact CZ-CG 3.49Å; F551-M555 HydrophobicContact CZ-SD 3.78Å; F551-M555 WeakPolarHBondContact O-CG 3.18Å; F551-M555 PolarHBondContact O-N 3.44Å; I552-M555 PolarHBondContact O-N 3.44Å; M555-K558 PolarHBondContact O-N 3.11Å; M555-A559 PolarHBondContact O-N 2.78Å |
| 556 | L | 93 | Very high | 87.2 | Confident | 3 Ų | 3 | 24.4 Ų | 24.4 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65 | -43.3 | 176.6 | -169.1 | 68 | 0 | 0 | 0 | 112 | I514 I552 G553 K558 A559 V563 L567 F670 F674 L695 | I514-L556 HydrophobicContact CD1-CD1 4.22Å; I552-L556 WeakPolarHBondContact O-CB 3.35Å; I552-L556 PolarHBondContact O-N 3.19Å; G553-L556 PolarHBondContact O-N 3.13Å; L556-K558 VanDerWaalsContact C-N 3.3Å; L556-K558 PolarHBondContact O-N 2.98Å; L556-A559 WeakPolarHBondContact O-CB 3.46Å; L556-A559 PolarHBondContact O-N 3.29Å; L556-V563 HydrophobicContact CD1-CG2 3.75Å; L556-L567 HydrophobicContact CD2-CD1 4Å; L556-F670 HydrophobicContact CD2-CE1 4.39Å; L556-F670 HydrophobicContact CD2-CE2 4.34Å; L556-F670 HydrophobicContact CD2-CZ 3.56Å; L556-F674 HydrophobicContact CB-CD2 4.24Å; L556-F674 HydrophobicContact CB-CE2 4.44Å; L556-F674 HydrophobicContact CD2-CD2 4.28Å; L556-F674 HydrophobicContact CD2-CE2 4.26Å; L556-F674 HydrophobicContact CG-CD2 4.31Å; L556-F674 HydrophobicContact CG-CE2 4.12Å; L556-L695 HydrophobicContact CD1-CD1 3.9Å; L556-L695 HydrophobicContact CD2-CD1 4.36Å; L556-L695 HydrophobicContact CD2-CD2 4.3Å; L556-L695 HydrophobicContact CG-CD1 4.07Å |
| 557 | G | 92.1 | Very high | 87.1 | Confident | 5 Ų | 5 | 22.1 Ų | 22.1 | 5% | 0.052 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.4 | -35.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G553 R554 | G553-G557 PolarHBondContact O-N 3.38Å; R554-G557 PolarHBondContact O-N 3.07Å |
| 558 | K | 89.2 | Confident | 86.9 | Confident | 36 Ų | 36 | 20.3 Ų | 20.3 | 16% | 0.157 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -72.2 | -35.3 | 177.4 | -179.1 | 60.8 | -180 | -169.6 | 0 | 112.8 | L481 K482 G483 F506 L510 R554 M555 L556 G560 L677 | L481-K558 VanDerWaalsContact O-CD 3.31Å; L481-K558 WeakPolarHBondContact O-CD 3.42Å; L481-K558 WeakPolarHBondContact O-CE 3.48Å; L481-K558 PolarHBondContact O-NZ 3.07Å; K482-K558 PolarHBondContact O-NZ 3.16Å; G483-K558 PolarHBondContact O-NZ 3.25Å; F506-K558 HydrophobicContact CE1-CD 4.23Å; F506-K558 HydrophobicContact CE1-CG 3.77Å; F506-K558 HydrophobicContact CZ-CD 4.48Å; F506-K558 HydrophobicContact CZ-CG 3.82Å; L510-K558 HydrophobicContact CD1-CG 4.12Å; L510-K558 HydrophobicContact CD2-CB 4.46Å; L510-K558 HydrophobicContact CD2-CG 4.35Å; R554-K558 WeakPolarHBondContact O-CB 3.19Å; R554-K558 PolarHBondContact O-N 3.28Å; M555-K558 PolarHBondContact O-N 3.11Å; L556-K558 VanDerWaalsContact C-N 3.3Å; L556-K558 PolarHBondContact O-N 2.98Å; K558-G560 PolarHBondContact O-N 3.46Å; K558-L677 HydrophobicContact CB-CG 4.37Å |
| 559 | A | 82.1 | Confident | 86.8 | Confident | 8 Ų | 8 | 20.9 Ų | 20.9 | 7% | 0.066 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -47.8 | -49.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | I514 M555 L556 I561 V563 | I514-A559 HydrophobicContact CD1-CB 3.74Å; M555-A559 PolarHBondContact O-N 2.78Å; L556-A559 WeakPolarHBondContact O-CB 3.46Å; L556-A559 PolarHBondContact O-N 3.29Å; A559-I561 HydrophobicContact CB-CG1 4.07Å; A559-I561 WeakPolarHBondContact O-CG1 3.48Å; A559-I561 WeakPolarHBondContact O-CG2 3.38Å; A559-I561 PolarHBondContact O-N 3.22Å; A559-V563 HydrophobicContact CB-CG1 3.85Å |
| 560 | G | 66.9 | Low | 86.5 | Confident | 56 Ų | 56 | 20.9 Ų | 20.9 | 58% | 0.577 | 12% | 0.118 | S | C | * | . | trans | 56.9 | 0.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | K558 | K558-G560 PolarHBondContact O-N 3.46Š| ||
| 561 | I | 62.6 | Low | 86.4 | Confident | 47 Ų | 47 | 19.2 Ų | 19.2 | 24% | 0.241 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -107.8 | 168 | 179.5 | 59 | 174.1 | 0 | 0 | 0 | 108.9 | K507 E511 A559 V563 | K507-I561 HydrophobicContact CG-CD1 4.02Å; E511-I561 HydrophobicContact CG-CD1 4.04Å; A559-I561 HydrophobicContact CB-CG1 4.07Å; A559-I561 WeakPolarHBondContact O-CG1 3.48Å; A559-I561 WeakPolarHBondContact O-CG2 3.38Å; A559-I561 PolarHBondContact O-N 3.22Å; I561-V563 HydrophobicContact CG1-CG1 4.2Å; I561-V563 PolarHBondContact O-N 3.48Å |
| 562 | V | 66.5 | Low | 86.3 | Confident | 28 Ų | 28 | 19.2 Ų | 19.2 | 17% | 0.17 | 11% | 0.11 | C | C | . | . | trans | -65.9 | 112.7 | 167.5 | 179 | 0 | 0 | 0 | 0 | 109.1 | L695 S696 G697 C750 | V562-L695 CarbonylContact C-O 3.57Å; V562-L695 WeakPolarHBondContact CA-O 3.49Å; V562-S696 WeakPolarHBondContact CG1-O 3.49Å; V562-G697 VanDerWaalsContact CG1-N 3.32Å; V562-C750 WeakPolarHBondContact CG1-SG 3.24Å | ||
| 563 | V | 74.5 | Confident | 86.2 | Confident | 8 Ų | 8 | 19.4 Ų | 19.4 | 5% | 0.048 | 11% | 0.111 | C | C | . | . | trans | -99.9 | 146.2 | 173.1 | -64.6 | 0 | 0 | 0 | 0 | 110.1 | I514 L556 A559 I561 V565 L695 S696 | I514-V563 HydrophobicContact CD1-CG1 3.91Å; I514-V563 HydrophobicContact CG2-CB 4.41Å; I514-V563 HydrophobicContact CG2-CG1 4.48Å; L556-V563 HydrophobicContact CD1-CG2 3.75Å; A559-V563 HydrophobicContact CB-CG1 3.85Å; I561-V563 HydrophobicContact CG1-CG1 4.2Å; I561-V563 PolarHBondContact O-N 3.48Å; V563-V565 HydrophobicContact CB-CG2 4.43Å; V563-V565 HydrophobicContact CG2-CB 4.08Å; V563-V565 HydrophobicContact CG2-CG2 4.27Å; V563-V565 PolarHBondContact O-N 3.14Å; V563-L695 HydrophobicContact CG2-CD1 3.83Å; V563-L695 HydrophobicContact CG2-CG 3.85Å; V563-L695 WeakPolarHBondContact CG2-O 3.34Å; V563-L695 PolarHBondContact N-O 2.88Å; V563-S696 VanDerWaalsContact O-CA 3.28Å; V563-S696 WeakPolarHBondContact O-CA 3.41Å; V563-S696 WeakPolarHBondContact O-CB 3.48Å | ||
| 564 | D | 75.9 | Confident | 86.1 | Confident | 74 Ų | 74 | 20.1 Ų | 20.1 | 40% | 0.396 | 12% | 0.115 | S | C | . | . | S | Bend | trans | -82.4 | 53.7 | 177.4 | -154.6 | 15.8 | 0 | 0 | 0 | 111.6 | K745 S751 K752 | D564-K745 IonicContact OD2-NZ 3.11Å; D564-S751 PolarHBondContact OD1-OG 3.28Å; D564-S751 PolarHBondContact OD2-OG 2.8Å; D564-K752 IonicContact OD1-NZ 3.2Å; D564-K752 PolarHBondContact OD1-NZ 3.36Å; D564-K752 VanDerWaalsContact OD1-NZ 3.11Å |
| 565 | V | 82.5 | Confident | 86.1 | Confident | 9 Ų | 9 | 19.2 Ų | 19.2 | 6% | 0.055 | 11% | 0.111 | C | C | . | . | trans | -125.6 | 122.3 | 179.8 | 177.9 | 0 | 0 | 0 | 0 | 109 | I514 F518 V563 L567 Q692 S696 | I514-V565 HydrophobicContact CG2-CG2 3.48Å; I514-V565 VanDerWaalsContact CG2-CG2 3.48Å; F518-V565 HydrophobicContact CB-CG2 4.46Å; F518-V565 HydrophobicContact CD1-CG1 3.83Å; F518-V565 HydrophobicContact CD2-CB 4.5Å; F518-V565 HydrophobicContact CD2-CG1 3.96Å; F518-V565 HydrophobicContact CD2-CG2 3.7Å; F518-V565 HydrophobicContact CE1-CG1 3.81Å; F518-V565 HydrophobicContact CE2-CG1 3.96Å; F518-V565 HydrophobicContact CE2-CG2 4.13Å; F518-V565 HydrophobicContact CG-CG1 3.91Å; F518-V565 HydrophobicContact CG-CG2 4.1Å; F518-V565 HydrophobicContact CZ-CG1 3.89Å; V563-V565 HydrophobicContact CB-CG2 4.43Å; V563-V565 HydrophobicContact CG2-CB 4.08Å; V563-V565 HydrophobicContact CG2-CG2 4.27Å; V563-V565 PolarHBondContact O-N 3.14Å; V565-L567 HydrophobicContact CG1-CD2 3.81Å; V565-L567 HydrophobicContact CG1-CG 4.18Å; V565-Q692 PolarHBondContact O-NE2 3.28Å; V565-S696 WeakPolarHBondContact O-CB 3.33Å; V565-S696 PolarHBondContact O-OG 3.08Å | ||
| 566 | F | 87.8 | Confident | 86 | Confident | 64 Ų | 64 | 19.1 Ų | 19.1 | 28% | 0.281 | 11% | 0.111 | S | C | . | . | P | Polyproline II helix | trans | -101 | 117.3 | 169.8 | -74.4 | -87 | 0 | 0 | 0 | 109.8 | M533 Q692 | M533-F566 VanDerWaalsContact CB-O 3.31Å; M533-F566 WeakPolarHBondContact CB-O 3.5Å; M533-F566 WeakPolarHBondContact CG-O 3.21Å; M533-F566 PolarHBondContact N-O 2.99Å; F566-Q692 HydrophobicContact CD1-CG 3.96Å; F566-Q692 HydrophobicContact CE1-CG 4.4Å |
| 567 | L | 93.4 | Very high | 85.7 | Confident | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | B | Isolated β-bridge | trans | -92.1 | 145.8 | 177.1 | -62.4 | 177.5 | 0 | 0 | 0 | 109.4 | F518 M533 L556 V565 V571 L572 I575 F670 Q692 L695 | F518-L567 HydrophobicContact CD1-CD2 4.48Å; F518-L567 HydrophobicContact CE1-CD2 3.53Å; F518-L567 HydrophobicContact CZ-CD2 3.9Å; M533-L567 HydrophobicContact CB-CD2 4.26Å; M533-L567 WeakPolarHBondContact O-CA 3.33Å; L556-L567 HydrophobicContact CD2-CD1 4Å; V565-L567 HydrophobicContact CG1-CD2 3.81Å; V565-L567 HydrophobicContact CG1-CG 4.18Å; L567-V571 HydrophobicContact CD1-CG1 4.44Å; L567-L572 HydrophobicContact CB-CD2 3.78Å; L567-L572 HydrophobicContact CB-CG 4.08Å; L567-L572 HydrophobicContact CD1-CD2 3.92Å; L567-L572 HydrophobicContact CG-CD2 4.39Å; L567-I575 HydrophobicContact CD1-CD1 3.76Å; L567-F670 HydrophobicContact CD1-CZ 4.31Å; L567-Q692 PolarHBondContact O-OE1 2.91Å; L567-L695 HydrophobicContact CD1-CD2 3.79Å; L567-L695 HydrophobicContact CG-CD2 4.19Å |
| 568 | A | 93 | Very high | 85.2 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | P | Polyproline II helix | trans | -61.9 | 143.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | H532 M533 F570 V571 L572 | H532-A568 HydrophobicContact CB-CB 4.12Å; M533-A568 PolarHBondContact O-N 3.24Å; A568-F570 VanDerWaalsContact C-N 3.26Å; A568-F570 HydrophobicContact CB-CD1 3.68Å; A568-F570 HydrophobicContact CB-CE1 3.28Å; A568-F570 HydrophobicContact CB-CZ 4.04Å; A568-F570 PolarHBondContact O-N 3.22Å; A568-F570 VanDerWaalsContact O-N 3.15Å; A568-V571 HydrophobicContact CB-CG2 4.2Å; A568-V571 WeakPolarHBondContact O-CA 3.27Å; A568-V571 VanDerWaalsContact O-CB 3.28Å; A568-V571 WeakPolarHBondContact O-CB 3.41Å; A568-V571 PolarHBondContact O-N 3.46Å; A568-L572 PolarHBondContact O-N 3.43Å |
| 569 | R | 92.1 | Very high | 84.6 | Confident | 38 Ų | 38 | 22 Ų | 22 | 14% | 0.143 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -51 | -42.7 | -174.2 | -176.1 | -170 | 176.5 | 109.8 | 14.6 | 113.6 | N380 R384 V571 L572 N573 E589 A688 E689 | N380-R569 PolarHBondContact O-NH2 3.21Å; R384-R569 VanDerWaalsContact CB-CZ 3.44Å; R569-V571 VanDerWaalsContact C-N 3.29Å; R569-V571 PolarHBondContact O-N 3.38Å; R569-L572 WeakPolarHBondContact O-CB 3.41Å; R569-L572 PolarHBondContact O-N 2.99Å; R569-L572 VanDerWaalsContact O-N 3.13Å; R569-N573 PolarHBondContact O-N 3.08Å; R569-N573 PolarHBondContact O-ND2 3.23Å; R569-E589 WeakPolarHBondContact CD-OE1 3.23Å; R569-E589 IonicContact NE-OE1 2.78Å; R569-E589 PolarHBondContact NE-OE1 3.45Å; R569-A688 HydrophobicContact CG-CB 3.86Å; R569-E689 IonicContact CZ-OE1 2.86Å; R569-E689 IonicContact NE-OE1 3.24Å; R569-E689 PolarHBondContact NE-OE1 3.01Å; R569-E689 IonicContact NH1-OE1 2.7Å; R569-E689 PolarHBondContact NH1-OE1 3.18Å; R569-E689 IonicContact NH2-OE1 2.78Å; R569-E689 PolarHBondContact NH2-OE1 3.22Å; R569-E689 IonicContact NH2-OE2 3.17Å |
| 570 | F | 91.8 | Very high | 84.1 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.7 | -34.5 | 179.9 | 67.9 | -88.1 | 0 | 0 | 0 | 112.3 | Y534 A568 L572 N573 H574 Y584 E589 L593 M659 I663 | Y534-F570 VanDerWaalsContact CB-CZ 3.42Å; Y534-F570 AromaticContact CD2-CZ 3.99Å; Y534-F570 HydrophobicContact CD2-CZ 3.99Å; Y534-F570 HydrophobicContact CG-CE1 4.4Å; Y534-F570 AromaticContact CG-CZ 3.79Å; Y534-F570 HydrophobicContact CG-CZ 3.79Å; A568-F570 VanDerWaalsContact C-N 3.26Å; A568-F570 HydrophobicContact CB-CD1 3.68Å; A568-F570 HydrophobicContact CB-CE1 3.28Å; A568-F570 HydrophobicContact CB-CZ 4.04Å; A568-F570 PolarHBondContact O-N 3.22Å; A568-F570 VanDerWaalsContact O-N 3.15Å; F570-L572 VanDerWaalsContact C-N 3.35Å; F570-N573 PolarHBondContact O-N 2.93Å; F570-H574 PolarHBondContact O-CD2 2.84Å; F570-H574 PolarHBondContact O-N 3.08Å; F570-Y584 VanDerWaalsContact CB-OH 3.28Å; F570-Y584 WeakPolarHBondContact CB-OH 3.43Å; F570-E589 WeakPolarHBondContact CA-OE2 3.37Å; F570-E589 WeakPolarHBondContact CB-OE2 3.4Å; F570-E589 PolarHBondContact N-OE2 3.35Å; F570-L593 HydrophobicContact CE1-CB 4.35Å; F570-L593 HydrophobicContact CE1-CD1 3.74Å; F570-L593 HydrophobicContact CE1-CG 4.42Å; F570-L593 HydrophobicContact CZ-CD1 3.9Å; F570-M659 HydrophobicContact CB-CE 3.54Å; F570-M659 HydrophobicContact CD1-CE 3.34Å; F570-M659 HydrophobicContact CD1-SD 4.4Å; F570-M659 HydrophobicContact CD2-CE 4.2Å; F570-M659 HydrophobicContact CE1-CE 4.02Å; F570-M659 HydrophobicContact CG-CE 3.43Å; F570-M659 VanDerWaalsContact CG-CE 3.43Å; F570-I663 HydrophobicContact CE2-CD1 3.69Å; F570-I663 HydrophobicContact CZ-CD1 4.34Å |
| 571 | V | 94.6 | Very high | 84.8 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.9 | -44.6 | 174.1 | -175.5 | 0 | 0 | 0 | 0 | 109.3 | L567 A568 R569 N573 H574 I575 L667 | L567-V571 HydrophobicContact CD1-CG1 4.44Å; A568-V571 HydrophobicContact CB-CG2 4.2Å; A568-V571 WeakPolarHBondContact O-CA 3.27Å; A568-V571 VanDerWaalsContact O-CB 3.28Å; A568-V571 WeakPolarHBondContact O-CB 3.41Å; A568-V571 PolarHBondContact O-N 3.46Å; R569-V571 VanDerWaalsContact C-N 3.29Å; R569-V571 PolarHBondContact O-N 3.38Å; V571-N573 VanDerWaalsContact C-N 3.33Å; V571-N573 PolarHBondContact O-N 3.23Å; V571-H574 WeakPolarHBondContact O-CB 3.45Å; V571-H574 PolarHBondContact O-N 3.15Å; V571-H574 VanDerWaalsContact O-N 3.15Å; V571-I575 HydrophobicContact CG1-CD1 4.24Å; V571-I575 WeakPolarHBondContact O-CG1 3.34Å; V571-I575 PolarHBondContact O-N 3.23Å; V571-L667 HydrophobicContact CG1-CD2 4.09Å; V571-L667 HydrophobicContact CG2-CD2 4.23Å |
| 572 | L | 94.5 | Very high | 85.5 | Confident | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.7 | -40.3 | 175.5 | -57.9 | 171.7 | 0 | 0 | 0 | 112 | L567 A568 R569 F570 H574 I575 I576 A688 F691 Q692 L695 | L567-L572 HydrophobicContact CB-CD2 3.78Å; L567-L572 HydrophobicContact CB-CG 4.08Å; L567-L572 HydrophobicContact CD1-CD2 3.92Å; L567-L572 HydrophobicContact CG-CD2 4.39Å; A568-L572 PolarHBondContact O-N 3.43Å; R569-L572 WeakPolarHBondContact O-CB 3.41Å; R569-L572 PolarHBondContact O-N 2.99Å; R569-L572 VanDerWaalsContact O-N 3.13Å; F570-L572 VanDerWaalsContact C-N 3.35Å; L572-H574 VanDerWaalsContact C-N 3.28Å; L572-H574 PolarHBondContact O-N 3.4Å; L572-I575 HydrophobicContact CD2-CD1 4.3Å; L572-I575 PolarHBondContact O-N 3.41Å; L572-I576 VanDerWaalsContact O-CG1 3.25Å; L572-I576 WeakPolarHBondContact O-CG1 3.39Å; L572-I576 PolarHBondContact O-N 3.12Å; L572-A688 HydrophobicContact CB-CB 3.96Å; L572-A688 HydrophobicContact CD1-CB 4.3Å; L572-A688 VanDerWaalsContact CD1-O 3.3Å; L572-A688 WeakPolarHBondContact CD1-O 3.28Å; L572-F691 HydrophobicContact CB-CD1 4.44Å; L572-F691 HydrophobicContact CD2-CD1 3.77Å; L572-F691 HydrophobicContact CD2-CE1 3.98Å; L572-Q692 HydrophobicContact CD1-CB 3.7Å; L572-Q692 HydrophobicContact CD1-CG 4.26Å; L572-L695 HydrophobicContact CD2-CD2 4.49Å |
| 573 | N | 93.1 | Very high | 86.2 | Confident | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.1 | -34.2 | 175.2 | -78 | -44.6 | 0 | 0 | 0 | 112.8 | R569 F570 V571 G577 R578 S579 Y584 E589 | R569-N573 PolarHBondContact O-N 3.08Å; R569-N573 PolarHBondContact O-ND2 3.23Å; F570-N573 PolarHBondContact O-N 2.93Å; V571-N573 VanDerWaalsContact C-N 3.33Å; V571-N573 PolarHBondContact O-N 3.23Å; N573-G577 PolarHBondContact O-N 2.88Å; N573-R578 PolarHBondContact O-N 2.89Å; N573-S579 PolarHBondContact O-N 3.14Å; N573-Y584 HydrophobicContact CB-CE2 4.16Å; N573-E589 PolarHBondContact ND2-OE1 3.05Å; N573-E589 PolarHBondContact ND2-OE2 3.34Å |
| 574 | H | 93.3 | Very high | 86.7 | Confident | 16 Ų | 16 | 29.6 Ų | 29.6 | 7% | 0.074 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.7 | -45.2 | 170.4 | -78.6 | -65.7 | 0 | 0 | 0 | 111.8 | F570 V571 L572 I576 G577 S579 H660 V671 | F570-H574 PolarHBondContact O-CD2 2.84Å; F570-H574 PolarHBondContact O-N 3.08Å; V571-H574 WeakPolarHBondContact O-CB 3.45Å; V571-H574 PolarHBondContact O-N 3.15Å; V571-H574 VanDerWaalsContact O-N 3.15Å; L572-H574 VanDerWaalsContact C-N 3.28Å; L572-H574 PolarHBondContact O-N 3.4Å; H574-I576 VanDerWaalsContact C-N 3.34Å; H574-I576 PolarHBondContact O-N 3.28Å; H574-G577 PolarHBondContact O-N 3.33Å; H574-G577 VanDerWaalsContact O-N 3.09Å; H574-S579 PolarHBondContact CE1-OG 3.22Å; H574-S579 PolarHBondContact ND1-O 3Å; H574-S579 PolarHBondContact NE2-OG 2.95Å; H574-H660 AromaticContact CE1-CE1 3.43Å; H574-H660 PolarHBondContact CE1-CE1 3.48Å; H574-H660 VanDerWaalsContact CE1-CE1 3.43Å; H574-H660 AromaticContact CE1-ND1 3.06Å; H574-H660 PolarHBondContact CE1-ND1 3.01Å; H574-H660 AromaticContact NE2-ND1 3.28Å; H574-H660 PolarHBondContact NE2-ND1 3.13Å; H574-V671 HydrophobicContact CB-CG2 4.13Å |
| 575 | I | 94.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.8 | -41.2 | 176.6 | -63.7 | 165.1 | 0 | 0 | 0 | 111.6 | L567 V571 L572 G577 F670 V671 F674 H675 L683 F691 | L567-I575 HydrophobicContact CD1-CD1 3.76Å; V571-I575 HydrophobicContact CG1-CD1 4.24Å; V571-I575 WeakPolarHBondContact O-CG1 3.34Å; V571-I575 PolarHBondContact O-N 3.23Å; L572-I575 HydrophobicContact CD2-CD1 4.3Å; L572-I575 PolarHBondContact O-N 3.41Å; I575-G577 PolarHBondContact O-N 2.97Å; I575-F670 HydrophobicContact CD1-CE1 3.64Å; I575-F670 HydrophobicContact CD1-CZ 4.48Å; I575-F670 HydrophobicContact CG1-CD1 4.38Å; I575-F670 HydrophobicContact CG1-CE1 3.95Å; I575-V671 HydrophobicContact CG1-CG2 4.15Å; I575-F674 HydrophobicContact CG2-CD1 3.58Å; I575-F674 HydrophobicContact CG2-CE1 3.62Å; I575-F674 HydrophobicContact CG2-CG 4.18Å; I575-F674 HydrophobicContact CG2-CZ 4.25Å; I575-H675 PolarHBondContact O-NE2 2.99Å; I575-L683 HydrophobicContact CG2-CD1 3.88Å; I575-L683 WeakPolarHBondContact O-CD1 3.14Å; I575-F691 HydrophobicContact CB-CE1 4.39Å; I575-F691 HydrophobicContact CD1-CE1 4.39Å; I575-F691 HydrophobicContact CG2-CE1 3.74Å; I575-F691 HydrophobicContact CG2-CZ 4.14Å |
| 576 | I | 92.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -72.5 | -18.5 | 179.1 | -63.1 | 163.1 | 0 | 0 | 0 | 111.6 | L572 H574 R578 L683 A688 F691 | L572-I576 VanDerWaalsContact O-CG1 3.25Å; L572-I576 WeakPolarHBondContact O-CG1 3.39Å; L572-I576 PolarHBondContact O-N 3.12Å; H574-I576 VanDerWaalsContact C-N 3.34Å; H574-I576 PolarHBondContact O-N 3.28Å; I576-R578 HydrophobicContact CG2-CG 3.98Å; I576-L683 HydrophobicContact CG1-CB 4.34Å; I576-L683 HydrophobicContact CG2-CB 4.48Å; I576-A688 HydrophobicContact CD1-CB 4.45Å; I576-F691 HydrophobicContact CD1-CB 3.94Å; I576-F691 HydrophobicContact CD1-CD1 4.21Å; I576-F691 HydrophobicContact CD1-CG 4.32Å; I576-F691 HydrophobicContact CG1-CD1 4.13Å; I576-F691 HydrophobicContact CG1-CG 4.4Å |
| 577 | G | 86.6 | Confident | 87.3 | Confident | 51 Ų | 51 | 23.6 Ų | 23.6 | 53% | 0.526 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 29.9 | -176 | 0 | 0 | 0 | 0 | 0 | 113.6 | N573 H574 I575 | N573-G577 PolarHBondContact O-N 2.88Å; H574-G577 PolarHBondContact O-N 3.33Å; H574-G577 VanDerWaalsContact O-N 3.09Å; I575-G577 PolarHBondContact O-N 2.97Å |
| 578 | R | 81.8 | Confident | 86.9 | Confident | 41 Ų | 41 | 24.5 Ų | 24.5 | 16% | 0.155 | 14% | 0.139 | C | C | . | . | trans | -95.9 | -14 | 174.6 | -71 | -177.4 | -179.4 | 177 | 9.7 | 113.4 | N380 N573 I576 S581 F686 | N380-R578 PolarHBondContact OD1-NH1 2.97Å; N573-R578 PolarHBondContact O-N 2.89Å; I576-R578 HydrophobicContact CG2-CG 3.98Å; R578-S581 WeakPolarHBondContact O-CB 3.35Å; R578-F686 PolarHBondContact NH2-O 3.35Å | ||
| 579 | S | 77.2 | Confident | 86.7 | Confident | 11 Ų | 11 | 25 Ų | 25 | 8% | 0.077 | 14% | 0.141 | C | C | . | . | trans | -129.6 | 138.7 | 178.9 | -180 | 0 | 0 | 0 | 0 | 111.2 | N573 H574 Y584 | N573-S579 PolarHBondContact O-N 3.14Å; H574-S579 PolarHBondContact CE1-OG 3.22Å; H574-S579 PolarHBondContact ND1-O 3Å; H574-S579 PolarHBondContact NE2-OG 2.95Å; S579-Y584 WeakPolarHBondContact OG-CD1 3.46Å; S579-Y584 WeakPolarHBondContact OG-CE1 3.44Å | ||
| 580 | P | 71 | Confident | 86.7 | Confident | 86 Ų | 86 | 23.2 Ų | 23.2 | 56% | 0.558 | 13% | 0.134 | S | C | * | . | S | Bend | cis | -76.5 | 141.6 | -4 | 30.4 | -33.6 | 0 | 0 | 0 | 112.6 | ||
| 581 | S | 81.1 | Confident | 86.6 | Confident | 56 Ų | 56 | 24.9 Ų | 24.9 | 39% | 0.392 | 15% | 0.148 | S | C | . | . | trans | -146.3 | 153.2 | 177.2 | 175.1 | 0 | 0 | 0 | 0 | 110.5 | R578 Y583 Y584 | R578-S581 WeakPolarHBondContact O-CB 3.35Å; S581-Y583 PolarHBondContact O-N 3.01Å; S581-Y583 VanDerWaalsContact O-N 3.15Å; S581-Y583 PolarHBondContact OG-N 3.13Å; S581-Y584 WeakPolarHBondContact O-CB 3.41Å; S581-Y584 PolarHBondContact O-N 3.28Å | ||
| 582 | K | 78.5 | Confident | 86.2 | Confident | 96 Ų | 96 | 26.1 Ų | 26.1 | 42% | 0.417 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -15.5 | 175.3 | 71.5 | 175.5 | -169 | 168.8 | 0 | 114 | E311 | E311-K582 IonicContact OE1-NZ 3.41Š|
| 583 | Y | 80.8 | Confident | 86 | Confident | 36 Ų | 36 | 26.3 Ų | 26.3 | 14% | 0.141 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 14.6 | 176.2 | -56.6 | -63.3 | 0 | 0 | 0 | 112.4 | L377 S581 | L377-Y583 HydrophobicContact CB-CD1 4.28Å; L377-Y583 VanDerWaalsContact CD1-O 3.25Å; L377-Y583 WeakPolarHBondContact CD1-O 3.48Å; L377-Y583 HydrophobicContact CD2-CD1 4.46Å; S581-Y583 PolarHBondContact O-N 3.01Å; S581-Y583 VanDerWaalsContact O-N 3.15Å; S581-Y583 PolarHBondContact OG-N 3.13Å |
| 584 | Y | 84.4 | Confident | 86 | Confident | 33 Ų | 33 | 27.7 Ų | 27.7 | 13% | 0.129 | 17% | 0.165 | C | C | . | . | trans | -118.6 | 129.7 | -179.6 | 178 | -95.6 | 0 | 0 | 0 | 109.5 | F570 N573 S579 S581 E589 | F570-Y584 VanDerWaalsContact CB-OH 3.28Å; F570-Y584 WeakPolarHBondContact CB-OH 3.43Å; N573-Y584 HydrophobicContact CB-CE2 4.16Å; S579-Y584 WeakPolarHBondContact OG-CD1 3.46Å; S579-Y584 WeakPolarHBondContact OG-CE1 3.44Å; S581-Y584 WeakPolarHBondContact O-CB 3.41Å; S581-Y584 PolarHBondContact O-N 3.28Å; Y584-E589 PolarHBondContact OH-OE2 2.86Å | ||
| 585 | S | 84.2 | Confident | 85.9 | Confident | 5 Ų | 5 | 27.7 Ų | 27.7 | 4% | 0.035 | 17% | 0.168 | C | C | . | . | trans | -117 | 116.1 | 179.8 | -155.9 | 0 | 0 | 0 | 0 | 110.6 | T318 I587 D588 H652 | T318-S585 WeakPolarHBondContact O-CB 3.27Å; T318-S585 PolarHBondContact O-OG 3.14Å; S585-I587 PolarHBondContact O-N 3.08Å; S585-I587 WeakPolarHBondContact OG-CG2 3.46Å; S585-D588 WeakPolarHBondContact CB-OD2 3.39Å; S585-D588 WeakPolarHBondContact O-CB 3.43Å; S585-D588 PolarHBondContact O-N 3.47Å; S585-H652 PolarHBondContact OG-CE1 2.77Å | ||
| 586 | C | 86.2 | Confident | 85.9 | Confident | 12 Ų | 12 | 32.2 Ų | 32.2 | 8% | 0.081 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.5 | -29.5 | 179.2 | -67.5 | 0 | 0 | 0 | 0 | 113 | D588 E589 L590 A655 M659 | C586-D588 PolarHBondContact O-N 3.48Å; C586-E589 PolarHBondContact O-N 3.31Å; C586-L590 PolarHBondContact O-N 3.36Å; C586-L590 VanDerWaalsContact O-N 3.08Å; C586-A655 HydrophobicContact CB-CB 3.95Å; C586-M659 HydrophobicContact CB-CB 4.29Å; C586-M659 HydrophobicContact CB-CG 4.23Å |
| 587 | I | 87.6 | Confident | 85.9 | Confident | 5 Ų | 5 | 33.4 Ų | 33.4 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.3 | -31.2 | -179 | -167.1 | 60.5 | 0 | 0 | 0 | 112.2 | S585 E589 L590 Y598 L601 V651 A655 | S585-I587 PolarHBondContact O-N 3.08Å; S585-I587 WeakPolarHBondContact OG-CG2 3.46Å; I587-E589 VanDerWaalsContact C-N 3.25Å; I587-E589 PolarHBondContact O-N 3.41Å; I587-L590 HydrophobicContact CD1-CB 4.43Å; I587-L590 HydrophobicContact CD1-CD2 3.78Å; I587-L590 PolarHBondContact O-N 2.65Å; I587-Y598 HydrophobicContact CD1-CD2 4.01Å; I587-Y598 HydrophobicContact CD1-CE2 4.32Å; I587-Y598 HydrophobicContact CG1-CD2 4.45Å; I587-Y598 HydrophobicContact CG1-CE2 4.3Å; I587-L601 HydrophobicContact CD1-CB 4.26Å; I587-L601 HydrophobicContact CD1-CD1 4.06Å; I587-V651 HydrophobicContact CD1-CG1 4Å; I587-V651 HydrophobicContact CG1-CG1 4.27Å; I587-A655 HydrophobicContact CB-CB 4.31Å; I587-A655 HydrophobicContact CD1-CB 4.23Å |
| 588 | D | 86 | Confident | 86.3 | Confident | 21 Ų | 21 | 33.4 Ų | 33.4 | 11% | 0.112 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.8 | -31.6 | -179.3 | -70 | -15.1 | 0 | 0 | 0 | 112.7 | R381 R384 S585 C586 | R381-D588 IonicContact CZ-OD1 3.54Å; R381-D588 IonicContact CZ-OD2 2.7Å; R381-D588 IonicContact NE-OD2 3.49Å; R381-D588 PolarHBondContact NE-OD2 3.4Å; R381-D588 IonicContact NH1-OD1 2.74Å; R381-D588 PolarHBondContact NH1-OD1 3.4Å; R381-D588 IonicContact NH1-OD2 2.65Å; R381-D588 PolarHBondContact NH1-OD2 2.6Å; R381-D588 VanDerWaalsContact NH2-CG 3.27Å; R381-D588 IonicContact NH2-OD1 3.45Å; R381-D588 PolarHBondContact NH2-OD1 2.92Å; R381-D588 IonicContact NH2-OD2 3.35Å; R381-D588 PolarHBondContact NH2-OD2 2.98Å; R384-D588 PolarHBondContact NH1-O 3.07Å; S585-D588 WeakPolarHBondContact CB-OD2 3.39Å; S585-D588 WeakPolarHBondContact O-CB 3.43Å; S585-D588 PolarHBondContact O-N 3.47Å; C586-D588 PolarHBondContact O-N 3.48Å |
| 589 | E | 88.2 | Confident | 86.8 | Confident | 10 Ų | 10 | 38.9 Ų | 38.9 | 5% | 0.047 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -102.1 | -11.8 | -177.3 | -54.7 | -164.4 | 165.7 | 0 | 0 | 111.5 | R569 F570 N573 Y584 C586 I587 A591 S592 L593 M659 | R569-E589 WeakPolarHBondContact CD-OE1 3.23Å; R569-E589 IonicContact NE-OE1 2.78Å; R569-E589 PolarHBondContact NE-OE1 3.45Å; F570-E589 WeakPolarHBondContact CA-OE2 3.37Å; F570-E589 WeakPolarHBondContact CB-OE2 3.4Å; F570-E589 PolarHBondContact N-OE2 3.35Å; N573-E589 PolarHBondContact ND2-OE1 3.05Å; N573-E589 PolarHBondContact ND2-OE2 3.34Å; Y584-E589 PolarHBondContact OH-OE2 2.86Å; C586-E589 PolarHBondContact O-N 3.31Å; I587-E589 VanDerWaalsContact C-N 3.25Å; I587-E589 PolarHBondContact O-N 3.41Å; E589-A591 VanDerWaalsContact C-N 3.33Å; E589-A591 PolarHBondContact O-N 3.35Å; E589-S592 PolarHBondContact O-N 2.81Å; E589-S592 VanDerWaalsContact O-N 3.11Å; E589-S592 PolarHBondContact O-OG 3.29Å; E589-L593 PolarHBondContact O-N 2.93Å; E589-M659 HydrophobicContact CB-CE 3.74Å |
| 590 | L | 91.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.7 | -40.5 | -176.2 | -176.3 | 64.7 | 0 | 0 | 0 | 112.5 | C586 I587 S592 L593 D594 L597 Y598 L601 A655 R658 M659 | C586-L590 PolarHBondContact O-N 3.36Å; C586-L590 VanDerWaalsContact O-N 3.08Å; I587-L590 HydrophobicContact CD1-CB 4.43Å; I587-L590 HydrophobicContact CD1-CD2 3.78Å; I587-L590 PolarHBondContact O-N 2.65Å; L590-S592 PolarHBondContact O-N 3.33Å; L590-S592 VanDerWaalsContact O-N 3.17Å; L590-L593 CarbonylContact O-C 3.41Å; L590-L593 WeakPolarHBondContact O-CA 3.39Å; L590-L593 PolarHBondContact O-N 3.28Å; L590-D594 HydrophobicContact CD1-CB 4.29Å; L590-D594 CarbonylContact O-C 3.54Å; L590-D594 PolarHBondContact O-N 3.21Å; L590-L597 HydrophobicContact CD1-CD2 4.2Å; L590-L597 HydrophobicContact CD2-CD2 4.28Å; L590-L597 HydrophobicContact CD2-CG 4.15Å; L590-Y598 HydrophobicContact CB-CD2 4.42Å; L590-L601 HydrophobicContact CD2-CD1 3.63Å; L590-A655 HydrophobicContact CD2-CB 4.08Å; L590-R658 HydrophobicContact CD1-CG 4.14Å; L590-M659 HydrophobicContact CB-SD 4.4Å; L590-M659 HydrophobicContact CD1-CG 3.87Å; L590-M659 HydrophobicContact CD1-SD 3.75Å |
| 591 | A | 90.2 | Very high | 88.8 | Confident | 35 Ų | 35 | 40 Ų | 40 | 29% | 0.289 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -56.8 | -34 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E589 Y598 | E589-A591 VanDerWaalsContact C-N 3.33Å; E589-A591 PolarHBondContact O-N 3.35Å; A591-Y598 HydrophobicContact CB-CD1 3.82Å; A591-Y598 HydrophobicContact CB-CD2 3.96Å; A591-Y598 HydrophobicContact CB-CE1 4.24Å; A591-Y598 HydrophobicContact CB-CE2 4.37Å; A591-Y598 HydrophobicContact CB-CG 3.67Å |
| 592 | S | 87.3 | Confident | 89.4 | Confident | 28 Ų | 28 | 38.3 Ų | 38.3 | 20% | 0.196 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -76.8 | -23.6 | 178.2 | 73.6 | 0 | 0 | 0 | 0 | 113.4 | S528 E589 L590 | S528-S592 WeakPolarHBondContact CB-O 3.5Å; S528-S592 PolarHBondContact OG-O 3.34Å; E589-S592 PolarHBondContact O-N 2.81Å; E589-S592 VanDerWaalsContact O-N 3.11Å; E589-S592 PolarHBondContact O-OG 3.29Å; L590-S592 PolarHBondContact O-N 3.33Å; L590-S592 VanDerWaalsContact O-N 3.17Å |
| 593 | L | 90.1 | Very high | 90.1 | Very high | 6 Ų | 6 | 39.4 Ų | 39.4 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -82.5 | -60.8 | 173.4 | -179.8 | 70.3 | 0 | 0 | 0 | 110.3 | T529 Y534 F570 E589 L590 R658 M659 | T529-L593 PolarHBondContact N-O 3Å; T529-L593 PolarHBondContact OG1-O 3.32Å; T529-L593 VanDerWaalsContact OG1-O 3.1Å; Y534-L593 HydrophobicContact CD1-CD1 3.55Å; Y534-L593 HydrophobicContact CD2-CD1 3.79Å; Y534-L593 HydrophobicContact CE1-CD1 3.37Å; Y534-L593 HydrophobicContact CE2-CD1 3.65Å; Y534-L593 HydrophobicContact CG-CD1 3.76Å; Y534-L593 VanDerWaalsContact CZ-CD1 3.43Å; F570-L593 HydrophobicContact CE1-CB 4.35Å; F570-L593 HydrophobicContact CE1-CD1 3.74Å; F570-L593 HydrophobicContact CE1-CG 4.42Å; F570-L593 HydrophobicContact CZ-CD1 3.9Å; E589-L593 PolarHBondContact O-N 2.93Å; L590-L593 CarbonylContact O-C 3.41Å; L590-L593 WeakPolarHBondContact O-CA 3.39Å; L590-L593 PolarHBondContact O-N 3.28Å; L593-R658 HydrophobicContact CD2-CG 4.13Å; L593-M659 HydrophobicContact CB-CE 4.4Å; L593-M659 HydrophobicContact CB-SD 3.55Å; L593-M659 VanDerWaalsContact CB-SD 3.55Å; L593-M659 HydrophobicContact CD2-CG 4.23Å; L593-M659 HydrophobicContact CD2-SD 3.17Å; L593-M659 WeakPolarHBondContact CD2-SD 3.33Å; L593-M659 HydrophobicContact CG-SD 3.93Å |
| 594 | D | 91.7 | Very high | 90.8 | Very high | 34 Ų | 34 | 38.4 Ų | 38.4 | 18% | 0.182 | 19% | 0.19 | C | C | . | . | trans | -141 | 88.9 | -166.5 | -165.3 | -36 | 0 | 0 | 0 | 109.5 | L590 D596 L597 Y598 R658 | L590-D594 HydrophobicContact CD1-CB 4.29Å; L590-D594 CarbonylContact O-C 3.54Å; L590-D594 PolarHBondContact O-N 3.21Å; D594-D596 PolarHBondContact O-N 3.33Å; D594-D596 PolarHBondContact OD1-N 3.08Å; D594-L597 HydrophobicContact CB-CB 4.1Å; D594-L597 WeakPolarHBondContact OD1-CB 3.38Å; D594-L597 PolarHBondContact OD1-N 3.25Å; D594-Y598 WeakPolarHBondContact O-CB 3.16Å; D594-Y598 PolarHBondContact O-N 2.74Å; D594-R658 IonicContact OD2-CZ 3.78Å; D594-R658 IonicContact OD2-NE 3.98Å; D594-R658 PolarHBondContact OD2-NE 3.33Å; D594-R658 VanDerWaalsContact OD2-NE 3.11Å; D594-R658 IonicContact OD2-NH2 2.68Å; D594-R658 PolarHBondContact OD2-NH2 2.83Å | ||
| 595 | A | 91.8 | Very high | 91.1 | Very high | 15 Ų | 15 | 37.3 Ų | 37.3 | 12% | 0.124 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.9 | -29.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T529 R599 | T529-A595 HydrophobicContact CG2-CB 4.01Å; T529-A595 PolarHBondContact OG1-N 3.2Å; A595-R599 VanDerWaalsContact O-CG 3.25Å; A595-R599 WeakPolarHBondContact O-CG 3.3Å; A595-R599 PolarHBondContact O-N 3.13Å |
| 596 | D | 93.7 | Very high | 91.5 | Very high | 95 Ų | 95 | 40.6 Ų | 40.6 | 51% | 0.508 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -75.3 | -46.2 | -179.7 | -70.4 | -35.5 | 0 | 0 | 0 | 111.5 | D594 Y598 R599 Q600 | D594-D596 PolarHBondContact O-N 3.33Å; D594-D596 PolarHBondContact OD1-N 3.08Å; D596-Y598 VanDerWaalsContact C-N 3.27Å; D596-Y598 PolarHBondContact O-N 3.23Å; D596-R599 PolarHBondContact O-N 2.92Å; D596-R599 IonicContact OD1-CZ 3.28Å; D596-R599 IonicContact OD1-NH1 2.83Å; D596-R599 PolarHBondContact OD1-NH1 3.16Å; D596-Q600 WeakPolarHBondContact O-CG 2.91Å; D596-Q600 PolarHBondContact O-N 2.81Å |
| 597 | L | 94 | Very high | 91.8 | Very high | 25 Ų | 25 | 42.9 Ų | 42.9 | 13% | 0.131 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.4 | -39.8 | 173.3 | -176.6 | 61 | 0 | 0 | 0 | 111.1 | L590 D594 R599 Q600 L601 M654 R658 | L590-L597 HydrophobicContact CD1-CD2 4.2Å; L590-L597 HydrophobicContact CD2-CD2 4.28Å; L590-L597 HydrophobicContact CD2-CG 4.15Å; D594-L597 HydrophobicContact CB-CB 4.1Å; D594-L597 WeakPolarHBondContact OD1-CB 3.38Å; D594-L597 PolarHBondContact OD1-N 3.25Å; L597-R599 PolarHBondContact O-N 2.75Å; L597-Q600 PolarHBondContact O-N 2.77Å; L597-L601 HydrophobicContact CD1-CD1 4.4Å; L597-L601 HydrophobicContact CD1-CG 4.16Å; L597-L601 HydrophobicContact CG-CD1 4.19Å; L597-L601 HydrophobicContact CG-CG 4.32Å; L597-L601 WeakPolarHBondContact O-CB 3.39Å; L597-L601 WeakPolarHBondContact O-CG 3.36Å; L597-L601 PolarHBondContact O-N 3.12Å; L597-M654 HydrophobicContact CD1-CG 4.33Å; L597-R658 HydrophobicContact CD2-CB 3.95Å; L597-R658 HydrophobicContact CD2-CG 3.67Å |
| 598 | Y | 93.7 | Very high | 92 | Very high | 52 Ų | 52 | 52.2 Ų | 52.2 | 20% | 0.204 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.3 | -48.8 | 173.5 | 177.3 | -98.3 | 0 | 0 | 0 | 111.9 | I587 L590 A591 D594 D596 Q600 L601 S602 | I587-Y598 HydrophobicContact CD1-CD2 4.01Å; I587-Y598 HydrophobicContact CD1-CE2 4.32Å; I587-Y598 HydrophobicContact CG1-CD2 4.45Å; I587-Y598 HydrophobicContact CG1-CE2 4.3Å; L590-Y598 HydrophobicContact CB-CD2 4.42Å; A591-Y598 HydrophobicContact CB-CD1 3.82Å; A591-Y598 HydrophobicContact CB-CD2 3.96Å; A591-Y598 HydrophobicContact CB-CE1 4.24Å; A591-Y598 HydrophobicContact CB-CE2 4.37Å; A591-Y598 HydrophobicContact CB-CG 3.67Å; D594-Y598 WeakPolarHBondContact O-CB 3.16Å; D594-Y598 PolarHBondContact O-N 2.74Å; D596-Y598 VanDerWaalsContact C-N 3.27Å; D596-Y598 PolarHBondContact O-N 3.23Å; Y598-Q600 VanDerWaalsContact C-N 3.33Å; Y598-Q600 PolarHBondContact O-N 2.89Å; Y598-L601 PolarHBondContact O-N 3Å; Y598-S602 WeakPolarHBondContact O-CB 3.3Å; Y598-S602 PolarHBondContact O-N 3.15Å; Y598-S602 PolarHBondContact O-OG 3.43Å; Y598-S602 VanDerWaalsContact O-OG 3.13Å |
| 599 | R | 93.9 | Very high | 92.3 | Very high | 156 Ų | 156 | 52.6 Ų | 52.6 | 59% | 0.589 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -58.2 | -43.3 | 177.1 | -73 | 167.5 | -170.3 | 131.8 | 3.7 | 112.3 | A595 D596 L597 S602 F603 | A595-R599 VanDerWaalsContact O-CG 3.25Å; A595-R599 WeakPolarHBondContact O-CG 3.3Å; A595-R599 PolarHBondContact O-N 3.13Å; D596-R599 PolarHBondContact O-N 2.92Å; D596-R599 IonicContact OD1-CZ 3.28Å; D596-R599 IonicContact OD1-NH1 2.83Å; D596-R599 PolarHBondContact OD1-NH1 3.16Å; L597-R599 PolarHBondContact O-N 2.75Å; R599-S602 PolarHBondContact O-N 3.25Å; R599-F603 WeakPolarHBondContact O-CB 3.47Å; R599-F603 PolarHBondContact O-N 2.93Å |
| 600 | Q | 94.3 | Very high | 92.5 | Very high | 116 Ų | 116 | 55.4 Ų | 55.4 | 54% | 0.542 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.5 | -45.7 | 178.2 | -67.9 | 168.8 | 13.7 | 0 | 0 | 111.8 | D596 L597 Y598 F603 I604 | D596-Q600 WeakPolarHBondContact O-CG 2.91Å; D596-Q600 PolarHBondContact O-N 2.81Å; L597-Q600 PolarHBondContact O-N 2.77Å; Y598-Q600 VanDerWaalsContact C-N 3.33Å; Y598-Q600 PolarHBondContact O-N 2.89Å; Q600-F603 WeakPolarHBondContact O-CB 3.09Å; Q600-F603 PolarHBondContact O-N 3.05Å; Q600-I604 WeakPolarHBondContact O-CG1 3.29Å; Q600-I604 PolarHBondContact O-N 3.36Å |
| 601 | L | 95.1 | Very high | 92.6 | Very high | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.1 | -38.5 | 177.8 | -68.6 | -174.9 | 0 | 0 | 0 | 112.3 | I587 L590 L597 Y598 F603 I604 K605 Y650 V651 M654 A655 | I587-L601 HydrophobicContact CD1-CB 4.26Å; I587-L601 HydrophobicContact CD1-CD1 4.06Å; L590-L601 HydrophobicContact CD2-CD1 3.63Å; L597-L601 HydrophobicContact CD1-CD1 4.4Å; L597-L601 HydrophobicContact CD1-CG 4.16Å; L597-L601 HydrophobicContact CG-CD1 4.19Å; L597-L601 HydrophobicContact CG-CG 4.32Å; L597-L601 WeakPolarHBondContact O-CB 3.39Å; L597-L601 WeakPolarHBondContact O-CG 3.36Å; L597-L601 PolarHBondContact O-N 3.12Å; Y598-L601 PolarHBondContact O-N 3Å; L601-F603 VanDerWaalsContact C-N 3.31Å; L601-F603 PolarHBondContact O-N 2.97Å; L601-I604 HydrophobicContact CD2-CD1 4.21Å; L601-I604 PolarHBondContact O-N 3.1Å; L601-K605 WeakPolarHBondContact O-CB 3.29Å; L601-K605 PolarHBondContact O-N 3.06Å; L601-Y650 HydrophobicContact CD2-CE1 4.16Å; L601-V651 HydrophobicContact CB-CG1 4.11Å; L601-V651 HydrophobicContact CB-CG2 4.38Å; L601-V651 HydrophobicContact CD1-CG1 4.45Å; L601-V651 HydrophobicContact CD2-CG2 4.28Å; L601-M654 HydrophobicContact CD1-CB 4.1Å; L601-M654 HydrophobicContact CD1-CG 4.07Å; L601-M654 HydrophobicContact CD2-CB 4.09Å; L601-M654 HydrophobicContact CD2-CG 4.04Å; L601-A655 HydrophobicContact CD1-CB 4.4Å |
| 602 | S | 92.9 | Very high | 92.7 | Very high | 22 Ų | 22 | 56.2 Ų | 56.2 | 15% | 0.154 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.5 | -39 | 172 | -70.6 | 0 | 0 | 0 | 0 | 111.6 | Y598 R599 K605 H606 | Y598-S602 WeakPolarHBondContact O-CB 3.3Å; Y598-S602 PolarHBondContact O-N 3.15Å; Y598-S602 PolarHBondContact O-OG 3.43Å; Y598-S602 VanDerWaalsContact O-OG 3.13Å; R599-S602 PolarHBondContact O-N 3.25Å; S602-K605 PolarHBondContact O-N 3.15Å; S602-H606 PolarHBondContact O-N 3.02Å; S602-H606 VanDerWaalsContact O-N 3.13Å; S602-H606 PolarHBondContact O-ND1 2.96Å |
| 603 | F | 93.8 | Very high | 93 | Very high | 119 Ų | 119 | 60.6 Ų | 60.6 | 52% | 0.522 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.1 | -49.1 | 173 | 171.8 | -95.7 | 0 | 0 | 0 | 111.4 | R599 Q600 L601 K605 H606 Y607 L614 | R599-F603 WeakPolarHBondContact O-CB 3.47Å; R599-F603 PolarHBondContact O-N 2.93Å; Q600-F603 WeakPolarHBondContact O-CB 3.09Å; Q600-F603 PolarHBondContact O-N 3.05Å; L601-F603 VanDerWaalsContact C-N 3.31Å; L601-F603 PolarHBondContact O-N 2.97Å; F603-K605 VanDerWaalsContact C-N 3.31Å; F603-K605 PolarHBondContact O-N 2.84Å; F603-H606 CarbonylContact O-C 3.54Å; F603-H606 PolarHBondContact O-N 3.45Å; F603-Y607 AromaticContact CE1-CD2 3.91Å; F603-Y607 HydrophobicContact CE1-CD2 3.91Å; F603-Y607 HydrophobicContact CE1-CE2 4.35Å; F603-Y607 HydrophobicContact CE2-CD2 4.15Å; F603-Y607 AromaticContact CZ-CD2 3.54Å; F603-Y607 HydrophobicContact CZ-CD2 3.54Å; F603-Y607 AromaticContact CZ-CE2 3.81Å; F603-Y607 HydrophobicContact CZ-CE2 3.81Å; F603-Y607 WeakPolarHBondContact O-CB 3.37Å; F603-Y607 PolarHBondContact O-N 3.4Å; F603-L614 HydrophobicContact CE1-CD1 4.29Å; F603-L614 HydrophobicContact CE1-CD2 4.26Å |
| 604 | I | 94.9 | Very high | 93.1 | Very high | 14 Ų | 14 | 63 Ų | 63 | 7% | 0.072 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61 | -41.3 | 178.7 | -65.7 | 161.1 | 0 | 0 | 0 | 111.3 | Q600 L601 H606 Y607 V611 L614 L616 R647 Y650 V651 | Q600-I604 WeakPolarHBondContact O-CG1 3.29Å; Q600-I604 PolarHBondContact O-N 3.36Å; L601-I604 HydrophobicContact CD2-CD1 4.21Å; L601-I604 PolarHBondContact O-N 3.1Å; I604-H606 VanDerWaalsContact C-N 3.33Å; I604-H606 PolarHBondContact O-N 2.92Å; I604-Y607 PolarHBondContact O-N 2.91Å; I604-V611 HydrophobicContact CG2-CG1 4.27Å; I604-L614 HydrophobicContact CG1-CD1 4.02Å; I604-L616 HydrophobicContact CD1-CD1 3.54Å; I604-L616 HydrophobicContact CG1-CD1 3.98Å; I604-L616 HydrophobicContact CG2-CD1 4.34Å; I604-R647 HydrophobicContact CG2-CB 4.48Å; I604-Y650 HydrophobicContact CD1-CE1 3.98Å; I604-V651 HydrophobicContact CB-CG2 4.46Å; I604-V651 HydrophobicContact CG2-CG2 4.25Å |
| 605 | K | 92.4 | Very high | 93.2 | Very high | 10 Ų | 10 | 64.5 Ų | 64.5 | 4% | 0.043 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61 | -41.5 | 179.2 | -177.2 | 176.7 | 173.9 | -171.2 | 0 | 112.4 | I319 D321 E324 L601 S602 F603 R647 I648 V651 | I319-K605 PolarHBondContact O-NZ 3.24Å; I319-K605 VanDerWaalsContact O-NZ 3.1Å; D321-K605 VanDerWaalsContact N-NZ 3.16Å; D321-K605 IonicContact OD2-NZ 3.11Å; D321-K605 PolarHBondContact OD2-NZ 2.89Å; E324-K605 IonicContact OE1-NZ 2.83Å; E324-K605 WeakPolarHBondContact OE2-CE 2.98Å; E324-K605 IonicContact OE2-NZ 3.41Å; E324-K605 PolarHBondContact OE2-NZ 3.13Å; L601-K605 WeakPolarHBondContact O-CB 3.29Å; L601-K605 PolarHBondContact O-N 3.06Å; S602-K605 PolarHBondContact O-N 3.15Å; F603-K605 VanDerWaalsContact C-N 3.31Å; F603-K605 PolarHBondContact O-N 2.84Å; K605-R647 VanDerWaalsContact O-CZ 3.29Å; K605-R647 PolarHBondContact O-NH2 3.02Å; K605-I648 HydrophobicContact CG-CD1 3.89Å; K605-V651 HydrophobicContact CB-CG2 4.36Å |
| 606 | H | 91.1 | Very high | 93.5 | Very high | 75 Ų | 75 | 65.9 Ų | 65.9 | 35% | 0.347 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -100.3 | 8.3 | -176.3 | -58.6 | 98.1 | 0 | 0 | 0 | 113.8 | D321 E324 S602 F603 I604 E608 | D321-H606 IonicContact OD2-CE1 3.91Å; D321-H606 PolarHBondContact OD2-CE1 3.42Å; D321-H606 IonicContact OD2-NE2 3Å; E324-H606 IonicContact OE1-NE2 3.26Å; S602-H606 PolarHBondContact O-N 3.02Å; S602-H606 VanDerWaalsContact O-N 3.13Å; S602-H606 PolarHBondContact O-ND1 2.96Å; F603-H606 CarbonylContact O-C 3.54Å; F603-H606 PolarHBondContact O-N 3.45Å; I604-H606 VanDerWaalsContact C-N 3.33Å; I604-H606 PolarHBondContact O-N 2.92Å; H606-E608 PolarHBondContact O-N 3.17Å |
| 607 | Y | 93.7 | Very high | 93.6 | Very high | 60 Ų | 60 | 63.6 Ų | 63.6 | 24% | 0.235 | 33% | 0.332 | C | S | . | . | trans | -60.8 | 124.4 | 179.6 | -171.2 | -114.5 | 0 | 0 | 0 | 110.3 | F603 I604 G609 D610 V611 L614 R647 | F603-Y607 AromaticContact CE1-CD2 3.91Å; F603-Y607 HydrophobicContact CE1-CD2 3.91Å; F603-Y607 HydrophobicContact CE1-CE2 4.35Å; F603-Y607 HydrophobicContact CE2-CD2 4.15Å; F603-Y607 AromaticContact CZ-CD2 3.54Å; F603-Y607 HydrophobicContact CZ-CD2 3.54Å; F603-Y607 AromaticContact CZ-CE2 3.81Å; F603-Y607 HydrophobicContact CZ-CE2 3.81Å; F603-Y607 WeakPolarHBondContact O-CB 3.37Å; F603-Y607 PolarHBondContact O-N 3.4Å; I604-Y607 PolarHBondContact O-N 2.91Å; Y607-G609 WeakPolarHBondContact CD1-O 3.43Å; Y607-D610 WeakPolarHBondContact CE1-O 3.43Å; Y607-V611 HydrophobicContact CD1-CG2 3.96Å; Y607-L614 HydrophobicContact CD1-CD1 4.48Å; Y607-L614 HydrophobicContact CE1-CG 4.49Å; Y607-L614 HydrophobicContact CE2-CD2 4.44Å; Y607-R647 PolarHBondContact O-NH1 3.48Å | ||
| 608 | E | 90.8 | Very high | 93.8 | Very high | 200 Ų | 200 | 62.4 Ų | 62.4 | 94% | 0.935 | 33% | 0.325 | S | S | * | . | trans | -82 | -22.2 | -177.8 | -64.2 | -170.5 | 161.7 | 0 | 0 | 112.8 | H606 | H606-E608 PolarHBondContact O-N 3.17Š| ||
| 609 | G | 92.8 | Very high | 93.9 | Very high | 30 Ų | 30 | 60.7 Ų | 60.7 | 31% | 0.309 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -80.9 | -170.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y607 V611 N644 | Y607-G609 WeakPolarHBondContact CD1-O 3.43Å; G609-V611 PolarHBondContact O-N 3.46Å; G609-N644 PolarHBondContact O-OD1 2.88Å |
| 610 | D | 92.7 | Very high | 93.9 | Very high | 69 Ų | 69 | 54 Ų | 54 | 37% | 0.369 | 30% | 0.298 | S | S | . | . | trans | -77.7 | 115.3 | 171.1 | -170.4 | -10.6 | 0 | 0 | 0 | 110.1 | Y607 S612 D613 | Y607-D610 WeakPolarHBondContact CE1-O 3.43Å; D610-S612 PolarHBondContact O-N 2.94Å; D610-S612 VanDerWaalsContact OD1-CB 3.25Å; D610-S612 WeakPolarHBondContact OD1-CB 3.41Å; D610-S612 PolarHBondContact OD1-N 3.18Å; D610-S612 PolarHBondContact OD1-OG 3.2Å; D610-D613 VanDerWaalsContact O-CB 3.28Å; D610-D613 WeakPolarHBondContact O-CB 3.42Å; D610-D613 PolarHBondContact O-N 3.28Å | ||
| 611 | V | 93.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -56.6 | -22.9 | 177.8 | 171.8 | 0 | 0 | 0 | 0 | 112.3 | I604 Y607 G609 D613 L614 V642 N644 R647 | I604-V611 HydrophobicContact CG2-CG1 4.27Å; Y607-V611 HydrophobicContact CD1-CG2 3.96Å; G609-V611 PolarHBondContact O-N 3.46Å; V611-D613 PolarHBondContact O-N 2.98Å; V611-L614 HydrophobicContact CG1-CD1 4.36Å; V611-L614 WeakPolarHBondContact O-CB 3.28Å; V611-L614 PolarHBondContact O-N 3.29Å; V611-V642 HydrophobicContact CG1-CB 4.26Å; V611-V642 HydrophobicContact CG1-CG1 3.71Å; V611-N644 WeakPolarHBondContact CG2-OD1 3.34Å; V611-N644 PolarHBondContact N-OD1 2.99Å; V611-R647 HydrophobicContact CG1-CB 4.23Å; V611-R647 HydrophobicContact CG2-CB 4.15Å |
| 612 | S | 92.2 | Very high | 93.6 | Very high | 52 Ų | 52 | 55.4 Ų | 55.4 | 36% | 0.364 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -58.2 | -28.1 | 174.2 | -46.5 | 0 | 0 | 0 | 0 | 112.7 | D610 L614 G615 | D610-S612 PolarHBondContact O-N 2.94Å; D610-S612 VanDerWaalsContact OD1-CB 3.25Å; D610-S612 WeakPolarHBondContact OD1-CB 3.41Å; D610-S612 PolarHBondContact OD1-N 3.18Å; D610-S612 PolarHBondContact OD1-OG 3.2Å; S612-L614 PolarHBondContact O-N 3.39Å; S612-G615 PolarHBondContact O-N 3.39Å |
| 613 | D | 92.9 | Very high | 93.3 | Very high | 119 Ų | 119 | 59.7 Ų | 59.7 | 64% | 0.636 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -66.4 | -21 | 177 | -63 | -26.6 | 0 | 0 | 0 | 112.8 | D610 V611 G615 | D610-D613 VanDerWaalsContact O-CB 3.28Å; D610-D613 WeakPolarHBondContact O-CB 3.42Å; D610-D613 PolarHBondContact O-N 3.28Å; V611-D613 PolarHBondContact O-N 2.98Å; D613-G615 PolarHBondContact O-N 2.96Å |
| 614 | L | 93.9 | Very high | 92.7 | Very high | 57 Ų | 57 | 56.1 Ų | 56.1 | 30% | 0.298 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -78 | -7.9 | 179.3 | -56.4 | -179.1 | 0 | 0 | 0 | 112.9 | F603 I604 Y607 V611 S612 L616 | F603-L614 HydrophobicContact CE1-CD1 4.29Å; F603-L614 HydrophobicContact CE1-CD2 4.26Å; I604-L614 HydrophobicContact CG1-CD1 4.02Å; Y607-L614 HydrophobicContact CD1-CD1 4.48Å; Y607-L614 HydrophobicContact CE1-CG 4.49Å; Y607-L614 HydrophobicContact CE2-CD2 4.44Å; V611-L614 HydrophobicContact CG1-CD1 4.36Å; V611-L614 WeakPolarHBondContact O-CB 3.28Å; V611-L614 PolarHBondContact O-N 3.29Å; S612-L614 PolarHBondContact O-N 3.39Å; L614-L616 HydrophobicContact CB-CD1 4.01Å; L614-L616 HydrophobicContact CB-CG 3.88Å; L614-L616 HydrophobicContact CD1-CD1 4.16Å; L614-L616 PolarHBondContact O-N 3.11Å |
| 615 | G | 93.8 | Very high | 92.2 | Very high | 66 Ų | 66 | 62.6 Ų | 62.6 | 68% | 0.68 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 22.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | S612 D613 | S612-G615 PolarHBondContact O-N 3.39Å; D613-G615 PolarHBondContact O-N 2.96Å |
| 616 | L | 96.6 | Very high | 91.9 | Very high | 43 Ų | 43 | 65.2 Ų | 65.2 | 23% | 0.225 | 38% | 0.378 | C | S | . | . | trans | -81.3 | 142.2 | -177.1 | -59.8 | 173.1 | 0 | 0 | 0 | 111.5 | I604 L614 P641 V642 Y650 | I604-L616 HydrophobicContact CD1-CD1 3.54Å; I604-L616 HydrophobicContact CG1-CD1 3.98Å; I604-L616 HydrophobicContact CG2-CD1 4.34Å; L614-L616 HydrophobicContact CB-CD1 4.01Å; L614-L616 HydrophobicContact CB-CG 3.88Å; L614-L616 HydrophobicContact CD1-CD1 4.16Å; L614-L616 PolarHBondContact O-N 3.11Å; L616-P641 WeakPolarHBondContact O-CA 3.46Å; L616-V642 HydrophobicContact CB-CB 3.99Å; L616-V642 HydrophobicContact CB-CG2 3.75Å; L616-V642 PolarHBondContact O-N 2.94Å; L616-Y650 HydrophobicContact CD1-CE1 4.04Å | ||
| 617 | T | 97.1 | Very high | 91.8 | Very high | 48 Ų | 48 | 64.3 Ų | 64.3 | 29% | 0.294 | 38% | 0.384 | S | S | . | . | B | Isolated β-bridge | trans | -116.6 | 165.8 | 170.2 | 51.1 | 0 | 0 | 0 | 0 | 110.1 | S619 I640 Y650 | T617-S619 PolarHBondContact O-N 3.03Å; T617-S619 PolarHBondContact OG1-OG 3.06Å; T617-I640 WeakPolarHBondContact CA-O 3.2Å; T617-Y650 WeakPolarHBondContact O-CE2 2.99Å |
| 618 | F | 97.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -75.1 | 50 | 174.2 | -80.5 | -98.8 | 0 | 0 | 0 | 112.4 | L633 R634 G637 I640 V642 Y650 L653 | F618-L633 WeakPolarHBondContact O-CB 3.41Å; F618-L633 PolarHBondContact O-N 3.47Å; F618-R634 HydrophobicContact CB-CG 3.93Å; F618-R634 HydrophobicContact CD1-CG 4.22Å; F618-R634 HydrophobicContact CG-CG 4.27Å; F618-R634 VanDerWaalsContact CG-NE 3.32Å; F618-G637 CarbonylContact C-O 3.24Å; F618-G637 PolarHBondContact N-O 3.09Å; F618-G637 CarbonylContact O-C 3.52Å; F618-G637 WeakPolarHBondContact O-CA 3.45Å; F618-I640 HydrophobicContact CD2-CB 4.46Å; F618-I640 WeakPolarHBondContact CD2-O 3.29Å; F618-I640 PolarHBondContact N-O 3.31Å; F618-V642 HydrophobicContact CD2-CG2 3.93Å; F618-V642 HydrophobicContact CE2-CB 4.35Å; F618-V642 HydrophobicContact CE2-CG2 3.88Å; F618-V642 HydrophobicContact CZ-CG2 4.49Å; F618-Y650 HydrophobicContact CD1-CD2 4.31Å; F618-Y650 HydrophobicContact CG-CD2 4.48Å; F618-L653 HydrophobicContact CD1-CD1 3.9Å; F618-L653 HydrophobicContact CE1-CD1 3.98Å |
| 619 | S | 96.6 | Very high | 91.8 | Very high | 16 Ų | 16 | 60.7 Ų | 60.7 | 11% | 0.112 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 163.2 | 176.5 | 54.9 | 0 | 0 | 0 | 0 | 110.6 | T617 H631 | T617-S619 PolarHBondContact O-N 3.03Å; T617-S619 PolarHBondContact OG1-OG 3.06Å; S619-H631 CarbonylContact C-O 3.57Å; S619-H631 WeakPolarHBondContact CA-O 3.5Å; S619-H631 VanDerWaalsContact CB-O 3.25Å; S619-H631 WeakPolarHBondContact CB-O 3.17Å |
| 620 | C | 94.2 | Very high | 91.9 | Very high | 14 Ų | 14 | 62 Ų | 62 | 10% | 0.095 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 140.2 | 173.1 | 62 | 0 | 0 | 0 | 0 | 110.4 | T630 H631 L633 M654 H657 | C620-T630 WeakPolarHBondContact O-CA 3.39Å; C620-H631 PolarHBondContact N-O 2.96Å; C620-H631 PolarHBondContact O-N 2.88Å; C620-L633 HydrophobicContact CB-CD2 4.27Å; C620-M654 HydrophobicContact CB-CE 3.69Å; C620-M654 HydrophobicContact CB-SD 3.63Å; C620-H657 PolarHBondContact SG-CD2 2.82Å; C620-H657 PolarHBondContact SG-NE2 3.29Å |
| 621 | D | 92.9 | Very high | 92 | Very high | 112 Ų | 112 | 61.7 Ų | 61.7 | 60% | 0.599 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97 | 128.8 | 177.3 | -68.3 | -24.1 | 0 | 0 | 0 | 109.4 | I628 T630 | D621-I628 HydrophobicContact CB-CG2 3.78Å; D621-T630 VanDerWaalsContact OD1-CB 3.26Å; D621-T630 WeakPolarHBondContact OD1-CB 3.4Å; D621-T630 VanDerWaalsContact OD1-CG2 3.28Å; D621-T630 WeakPolarHBondContact OD1-CG2 3.41Å; D621-T630 PolarHBondContact OD1-OG1 3.39Å |
| 622 | E | 88.6 | Confident | 92.2 | Very high | 38 Ų | 38 | 64 Ų | 64 | 18% | 0.178 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 131.6 | 176 | -175.5 | 169.3 | -176 | 0 | 0 | 109.7 | V624 I628 V629 H631 Q662 | E622-V624 HydrophobicContact CG-CG2 4.03Å; E622-V624 PolarHBondContact O-N 3.38Å; E622-I628 WeakPolarHBondContact O-CA 3.42Å; E622-V629 PolarHBondContact N-O 3.24Å; E622-V629 PolarHBondContact O-N 2.9Å; E622-H631 IonicContact OE2-NE2 3.22Å; E622-Q662 VanDerWaalsContact CD-NE2 3.26Å; E622-Q662 PolarHBondContact OE2-NE2 2.72Å |
| 623 | D | 86.3 | Confident | 92.4 | Very high | 111 Ų | 111 | 62.5 Ų | 62.5 | 59% | 0.594 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 108.8 | 171.6 | -175.2 | -18.7 | 0 | 0 | 0 | 109.5 | G626 | D623-G626 WeakPolarHBondContact OD1-CA 3.49Å; D623-G626 PolarHBondContact OD1-N 3Å |
| 624 | V | 83 | Confident | 92.5 | Very high | 45 Ų | 45 | 60.7 Ų | 60.7 | 27% | 0.273 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 99.4 | 175.2 | -174.1 | 0 | 0 | 0 | 0 | 108.8 | E622 G626 A627 V629 | E622-V624 HydrophobicContact CG-CG2 4.03Å; E622-V624 PolarHBondContact O-N 3.38Å; V624-G626 VanDerWaalsContact C-N 3.28Å; V624-G626 PolarHBondContact O-N 2.97Å; V624-A627 PolarHBondContact N-O 3.31Å; V624-A627 PolarHBondContact O-N 3.3Å; V624-A627 VanDerWaalsContact O-N 3.1Å; V624-V629 HydrophobicContact CB-CG2 4.26Å; V624-V629 HydrophobicContact CG2-CB 4.46Å; V624-V629 HydrophobicContact CG2-CG2 4.05Å |
| 625 | M | 82.6 | Confident | 92.4 | Very high | 149 Ų | 149 | 64.1 Ų | 64.1 | 73% | 0.734 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 37.6 | 178.5 | -55.7 | -174.6 | -65.9 | 0 | 0 | 113.9 | L541 | L541-M625 HydrophobicContact CD1-SD 4.12Å; L541-M625 HydrophobicContact CD2-CE 3.98Å; L541-M625 HydrophobicContact CD2-SD 3.7Å |
| 626 | G | 87.2 | Confident | 92.5 | Very high | 65 Ų | 65 | 62.4 Ų | 62.4 | 67% | 0.67 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.3 | -4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | D623 V624 | D623-G626 WeakPolarHBondContact OD1-CA 3.49Å; D623-G626 PolarHBondContact OD1-N 3Å; V624-G626 VanDerWaalsContact C-N 3.28Å; V624-G626 PolarHBondContact O-N 2.97Å |
| 627 | A | 89.7 | Confident | 92.4 | Very high | 56 Ų | 56 | 60.3 Ų | 60.3 | 46% | 0.463 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 125.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | V624 V629 | V624-A627 PolarHBondContact N-O 3.31Å; V624-A627 PolarHBondContact O-N 3.3Å; V624-A627 VanDerWaalsContact O-N 3.1Å; A627-V629 PolarHBondContact O-N 3.1Å |
| 628 | I | 92 | Very high | 92.3 | Very high | 126 Ų | 126 | 64.8 Ų | 64.8 | 65% | 0.646 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 117 | 175.2 | -58.6 | 175.2 | 0 | 0 | 0 | 108.8 | D621 E622 | D621-I628 HydrophobicContact CB-CG2 3.78Å; E622-I628 WeakPolarHBondContact O-CA 3.42Å |
| 629 | V | 92.1 | Very high | 92.3 | Very high | 58 Ų | 58 | 70.2 Ų | 70.2 | 35% | 0.352 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 119.9 | 176.1 | -175.7 | 0 | 0 | 0 | 0 | 109 | E622 V624 A627 H631 | E622-V629 PolarHBondContact N-O 3.24Å; E622-V629 PolarHBondContact O-N 2.9Å; V624-V629 HydrophobicContact CB-CG2 4.26Å; V624-V629 HydrophobicContact CG2-CB 4.46Å; V624-V629 HydrophobicContact CG2-CG2 4.05Å; A627-V629 PolarHBondContact O-N 3.1Å; V629-H631 WeakPolarHBondContact CG1-NE2 3.35Å; V629-H631 PolarHBondContact O-CD2 3.41Å |
| 630 | T | 94.8 | Very high | 92.3 | Very high | 59 Ų | 59 | 72.1 Ų | 72.1 | 36% | 0.362 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 120 | 177.2 | -53.7 | 0 | 0 | 0 | 0 | 111 | C620 D621 | C620-T630 WeakPolarHBondContact O-CA 3.39Å; D621-T630 VanDerWaalsContact OD1-CB 3.26Å; D621-T630 WeakPolarHBondContact OD1-CB 3.4Å; D621-T630 VanDerWaalsContact OD1-CG2 3.28Å; D621-T630 WeakPolarHBondContact OD1-CG2 3.41Å; D621-T630 PolarHBondContact OD1-OG1 3.39Å |
| 631 | H | 94.7 | Very high | 92.4 | Very high | 62 Ų | 62 | 75 Ų | 75 | 29% | 0.287 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 132.1 | 176.2 | -61.1 | -87.8 | 0 | 0 | 0 | 111.3 | S619 C620 E622 V629 | S619-H631 CarbonylContact C-O 3.57Å; S619-H631 WeakPolarHBondContact CA-O 3.5Å; S619-H631 VanDerWaalsContact CB-O 3.25Å; S619-H631 WeakPolarHBondContact CB-O 3.17Å; C620-H631 PolarHBondContact N-O 2.96Å; C620-H631 PolarHBondContact O-N 2.88Å; E622-H631 IonicContact OE2-NE2 3.22Å; V629-H631 WeakPolarHBondContact CG1-NE2 3.35Å; V629-H631 PolarHBondContact O-CD2 3.41Å |
| 632 | D | 97.5 | Very high | 92.6 | Very high | 48 Ų | 48 | 69.6 Ų | 69.6 | 26% | 0.257 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 120 | 173.3 | -84.4 | -14.5 | 0 | 0 | 0 | 110 | R634 G637 R638 | D632-R634 WeakPolarHBondContact CB-O 3.33Å; D632-R634 PolarHBondContact O-N 3.02Å; D632-G637 PolarHBondContact OD1-N 3.19Å; D632-R638 WeakPolarHBondContact OD1-CB 3.29Å; D632-R638 IonicContact OD1-CZ 3.51Å; D632-R638 PolarHBondContact OD1-N 3.37Å; D632-R638 IonicContact OD1-NE 3.54Å; D632-R638 PolarHBondContact OD1-NE 3.2Å; D632-R638 IonicContact OD1-NH2 2.64Å; D632-R638 IonicContact OD2-CZ 3.13Å; D632-R638 VanDerWaalsContact OD2-CZ 3.27Å; D632-R638 IonicContact OD2-NE 2.84Å; D632-R638 PolarHBondContact OD2-NE 2.81Å; D632-R638 IonicContact OD2-NH2 2.65Å; D632-R638 PolarHBondContact OD2-NH2 3.39Å |
| 633 | L | 96.2 | Very high | 92.8 | Very high | 20 Ų | 20 | 69.6 Ų | 69.6 | 11% | 0.105 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -72.7 | -21.2 | 177.2 | -62.7 | 176.7 | 0 | 0 | 0 | 112.7 | F618 C620 Y650 L653 M654 H657 | F618-L633 WeakPolarHBondContact O-CB 3.41Å; F618-L633 PolarHBondContact O-N 3.47Å; C620-L633 HydrophobicContact CB-CD2 4.27Å; L633-Y650 HydrophobicContact CD1-CD2 3.91Å; L633-Y650 HydrophobicContact CD1-CE2 3.72Å; L633-L653 HydrophobicContact CB-CB 4.23Å; L633-M654 HydrophobicContact CD1-CB 4.33Å; L633-M654 HydrophobicContact CD1-CE 3.89Å; L633-M654 HydrophobicContact CD1-SD 4.29Å; L633-M654 HydrophobicContact CD2-SD 4.31Å; L633-H657 HydrophobicContact CD2-CB 3.54Å |
| 634 | R | 94.3 | Very high | 93.1 | Very high | 81 Ų | 81 | 67.2 Ų | 67.2 | 31% | 0.306 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -147 | 162.6 | 171.4 | 69.5 | -177.7 | 177.6 | -179.1 | -7.8 | 108.7 | F618 D632 G636 G637 I640 L653 | F618-R634 HydrophobicContact CB-CG 3.93Å; F618-R634 HydrophobicContact CD1-CG 4.22Å; F618-R634 HydrophobicContact CG-CG 4.27Å; F618-R634 VanDerWaalsContact CG-NE 3.32Å; D632-R634 WeakPolarHBondContact CB-O 3.33Å; D632-R634 PolarHBondContact O-N 3.02Å; R634-G636 PolarHBondContact O-N 3.34Å; R634-G636 VanDerWaalsContact O-N 3.15Å; R634-G637 WeakPolarHBondContact O-CA 3.4Å; R634-G637 PolarHBondContact O-N 2.83Å; R634-I640 HydrophobicContact CG-CD1 4.46Å; R634-L653 HydrophobicContact CB-CD1 4.43Å |
| 635 | P | 93.5 | Very high | 93.2 | Very high | 129 Ų | 129 | 72.8 Ų | 72.8 | 84% | 0.838 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 122.9 | -178.4 | -27.3 | 35.5 | 0 | 0 | 0 | 112.7 | G637 | P635-G637 PolarHBondContact O-N 3.43Š|
| 636 | G | 94.5 | Very high | 93.6 | Very high | 30 Ų | 30 | 66.5 Ų | 66.5 | 31% | 0.309 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 16.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | R634 R638 T639 | R634-G636 PolarHBondContact O-N 3.34Å; R634-G636 VanDerWaalsContact O-N 3.15Å; G636-R638 VanDerWaalsContact C-N 3.26Å; G636-R638 PolarHBondContact O-N 3.08Å; G636-R638 VanDerWaalsContact O-N 3.12Å; G636-T639 PolarHBondContact O-N 3.29Å; G636-T639 PolarHBondContact O-OG1 2.98Å |
| 637 | G | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -55.1 | -32.9 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | F618 D632 R634 P635 T639 I640 | F618-G637 CarbonylContact C-O 3.24Å; F618-G637 PolarHBondContact N-O 3.09Å; F618-G637 CarbonylContact O-C 3.52Å; F618-G637 WeakPolarHBondContact O-CA 3.45Å; D632-G637 PolarHBondContact OD1-N 3.19Å; R634-G637 WeakPolarHBondContact O-CA 3.4Å; R634-G637 PolarHBondContact O-N 2.83Å; P635-G637 PolarHBondContact O-N 3.43Å; G637-T639 PolarHBondContact O-N 3.14Å; G637-T639 VanDerWaalsContact O-N 3.14Å; G637-I640 PolarHBondContact O-N 3.23Å |
| 638 | R | 95.4 | Very high | 94 | Very high | 142 Ų | 142 | 65.9 Ų | 65.9 | 54% | 0.536 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -56.4 | -25.4 | 174.2 | 77.9 | -166.9 | 95.3 | -139.1 | 3.7 | 114.8 | D632 G636 | D632-R638 WeakPolarHBondContact OD1-CB 3.29Å; D632-R638 IonicContact OD1-CZ 3.51Å; D632-R638 PolarHBondContact OD1-N 3.37Å; D632-R638 IonicContact OD1-NE 3.54Å; D632-R638 PolarHBondContact OD1-NE 3.2Å; D632-R638 IonicContact OD1-NH2 2.64Å; D632-R638 IonicContact OD2-CZ 3.13Å; D632-R638 VanDerWaalsContact OD2-CZ 3.27Å; D632-R638 IonicContact OD2-NE 2.84Å; D632-R638 PolarHBondContact OD2-NE 2.81Å; D632-R638 IonicContact OD2-NH2 2.65Å; D632-R638 PolarHBondContact OD2-NH2 3.39Å; G636-R638 VanDerWaalsContact C-N 3.26Å; G636-R638 PolarHBondContact O-N 3.08Å; G636-R638 VanDerWaalsContact O-N 3.12Å |
| 639 | T | 96 | Very high | 94 | Very high | 113 Ų | 113 | 62.9 Ų | 62.9 | 69% | 0.693 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -100.6 | 0.1 | 179.9 | 63.2 | 0 | 0 | 0 | 0 | 113 | G636 G637 | G636-T639 PolarHBondContact O-N 3.29Å; G636-T639 PolarHBondContact O-OG1 2.98Å; G637-T639 PolarHBondContact O-N 3.14Å; G637-T639 VanDerWaalsContact O-N 3.14Å |
| 640 | I | 96.2 | Very high | 94.1 | Very high | 57 Ų | 57 | 60.8 Ų | 60.8 | 29% | 0.292 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -111.3 | 114.1 | -176.6 | -43.1 | 166.6 | 0 | 0 | 0 | 109.3 | T617 F618 R634 G637 | T617-I640 WeakPolarHBondContact CA-O 3.2Å; F618-I640 HydrophobicContact CD2-CB 4.46Å; F618-I640 WeakPolarHBondContact CD2-O 3.29Å; F618-I640 PolarHBondContact N-O 3.31Å; R634-I640 HydrophobicContact CG-CD1 4.46Å; G637-I640 PolarHBondContact O-N 3.23Å |
| 641 | P | 96.7 | Very high | 94.1 | Very high | 73 Ų | 73 | 58 Ų | 58 | 47% | 0.474 | 31% | 0.31 | S | S | . | . | B | Isolated β-bridge | trans | -69.9 | 153.5 | 179.3 | 29 | -34.5 | 0 | 0 | 0 | 111.6 | L616 | L616-P641 WeakPolarHBondContact O-CA 3.46Å |
| 642 | V | 96.7 | Very high | 94 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.305 | C | S | . | . | trans | -83.7 | 125.7 | 169.7 | -173.8 | 0 | 0 | 0 | 0 | 108.7 | V611 L616 F618 R647 Y650 | V611-V642 HydrophobicContact CG1-CB 4.26Å; V611-V642 HydrophobicContact CG1-CG1 3.71Å; L616-V642 HydrophobicContact CB-CB 3.99Å; L616-V642 HydrophobicContact CB-CG2 3.75Å; L616-V642 PolarHBondContact O-N 2.94Å; F618-V642 HydrophobicContact CD2-CG2 3.93Å; F618-V642 HydrophobicContact CE2-CB 4.35Å; F618-V642 HydrophobicContact CE2-CG2 3.88Å; F618-V642 HydrophobicContact CZ-CG2 4.49Å; V642-R647 HydrophobicContact CG1-CB 4.14Å; V642-Y650 HydrophobicContact CG1-CD1 4.39Å; V642-Y650 HydrophobicContact CG1-CG 4.05Å; V642-Y650 HydrophobicContact CG2-CD1 4.28Å; V642-Y650 HydrophobicContact CG2-CD2 3.42Å; V642-Y650 VanDerWaalsContact CG2-CD2 3.42Å; V642-Y650 HydrophobicContact CG2-CE2 3.93Å; V642-Y650 HydrophobicContact CG2-CG 3.6Å | ||
| 643 | T | 94.4 | Very high | 93.8 | Very high | 38 Ų | 38 | 57.2 Ų | 57.2 | 23% | 0.233 | 31% | 0.306 | C | S | . | . | trans | -115.4 | 169.4 | 179.3 | 71.9 | 0 | 0 | 0 | 0 | 110.3 | E645 S646 R647 | T643-E645 VanDerWaalsContact CB-OE2 3.24Å; T643-E645 WeakPolarHBondContact CB-OE2 3.42Å; T643-E645 PolarHBondContact O-N 3.49Å; T643-E645 PolarHBondContact OG1-N 3.18Å; T643-E645 PolarHBondContact OG1-OE2 2.97Å; T643-S646 PolarHBondContact N-OG 3.18Å; T643-S646 CarbonylContact O-C 3.59Å; T643-S646 PolarHBondContact O-N 3.48Å; T643-S646 PolarHBondContact O-OG 3.14Å; T643-S646 PolarHBondContact OG1-N 3.21Å; T643-S646 PolarHBondContact OG1-OG 2.87Å; T643-R647 WeakPolarHBondContact O-CB 3.44Å; T643-R647 PolarHBondContact O-N 3.25Å | ||
| 644 | N | 91.4 | Very high | 93.8 | Very high | 61 Ų | 61 | 57.2 Ų | 57.2 | 33% | 0.326 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -35 | 174.8 | -77.6 | -23.1 | 0 | 0 | 0 | 113.7 | G609 V611 S646 R647 | G609-N644 PolarHBondContact O-OD1 2.88Å; V611-N644 WeakPolarHBondContact CG2-OD1 3.34Å; V611-N644 PolarHBondContact N-OD1 2.99Å; N644-S646 VanDerWaalsContact C-N 3.33Å; N644-R647 WeakPolarHBondContact O-CG 3.32Å |
| 645 | E | 86.6 | Confident | 93.8 | Very high | 161 Ų | 161 | 53.3 Ų | 53.3 | 75% | 0.752 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -26.7 | 177.9 | -55.5 | 75.4 | -162.8 | 0 | 0 | 112.4 | T643 | T643-E645 VanDerWaalsContact CB-OE2 3.24Å; T643-E645 WeakPolarHBondContact CB-OE2 3.42Å; T643-E645 PolarHBondContact O-N 3.49Å; T643-E645 PolarHBondContact OG1-N 3.18Å; T643-E645 PolarHBondContact OG1-OE2 2.97Å |
| 646 | S | 90.6 | Very high | 93.8 | Very high | 18 Ų | 18 | 51 Ų | 51 | 13% | 0.126 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -6 | -171.5 | 64.6 | 0 | 0 | 0 | 0 | 114 | T643 N644 I648 S649 Y650 | T643-S646 PolarHBondContact N-OG 3.18Å; T643-S646 CarbonylContact O-C 3.59Å; T643-S646 PolarHBondContact O-N 3.48Å; T643-S646 PolarHBondContact O-OG 3.14Å; T643-S646 PolarHBondContact OG1-N 3.21Å; T643-S646 PolarHBondContact OG1-OG 2.87Å; N644-S646 VanDerWaalsContact C-N 3.33Å; S646-I648 VanDerWaalsContact C-N 3.29Å; S646-I648 PolarHBondContact O-N 3.41Å; S646-S649 WeakPolarHBondContact O-CB 3.05Å; S646-S649 PolarHBondContact O-N 2.86Å; S646-S649 VanDerWaalsContact O-N 3.08Å; S646-Y650 PolarHBondContact O-N 2.82Å |
| 647 | R | 93.8 | Very high | 93.7 | Very high | 61 Ų | 61 | 50.7 Ų | 50.7 | 23% | 0.23 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -55.1 | -39 | -179.3 | 73.5 | -174.6 | -175.9 | 175.2 | 7.4 | 113.9 | I604 K605 Y607 V611 V642 T643 N644 Y650 V651 | I604-R647 HydrophobicContact CG2-CB 4.48Å; K605-R647 VanDerWaalsContact O-CZ 3.29Å; K605-R647 PolarHBondContact O-NH2 3.02Å; Y607-R647 PolarHBondContact O-NH1 3.48Å; V611-R647 HydrophobicContact CG1-CB 4.23Å; V611-R647 HydrophobicContact CG2-CB 4.15Å; V642-R647 HydrophobicContact CG1-CB 4.14Å; T643-R647 WeakPolarHBondContact O-CB 3.44Å; T643-R647 PolarHBondContact O-N 3.25Å; N644-R647 WeakPolarHBondContact O-CG 3.32Å; R647-Y650 WeakPolarHBondContact O-CB 3.32Å; R647-Y650 PolarHBondContact O-N 2.97Å; R647-V651 WeakPolarHBondContact O-CG2 3.46Å; R647-V651 PolarHBondContact O-N 3.43Å |
| 648 | I | 91.2 | Very high | 93.6 | Very high | 46 Ų | 46 | 53 Ų | 53 | 24% | 0.236 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.3 | -46.5 | 178.8 | -58.3 | -56.8 | 0 | 0 | 0 | 109.8 | I319 K605 S646 Y650 V651 H652 | I319-I648 HydrophobicContact CG2-CG2 3.48Å; I319-I648 VanDerWaalsContact CG2-CG2 3.48Å; K605-I648 HydrophobicContact CG-CD1 3.89Å; S646-I648 VanDerWaalsContact C-N 3.29Å; S646-I648 PolarHBondContact O-N 3.41Å; I648-Y650 VanDerWaalsContact C-N 3.29Å; I648-Y650 PolarHBondContact O-N 2.88Å; I648-V651 PolarHBondContact O-N 2.97Å; I648-H652 PolarHBondContact O-CD2 2.72Å; I648-H652 VanDerWaalsContact O-CD2 3.23Å; I648-H652 PolarHBondContact O-N 3.14Å |
| 649 | S | 90.7 | Very high | 93.4 | Very high | 64 Ų | 64 | 46.2 Ų | 46.2 | 45% | 0.448 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.2 | -40 | 175.6 | -54.9 | 0 | 0 | 0 | 0 | 111.9 | S646 L653 | S646-S649 WeakPolarHBondContact O-CB 3.05Å; S646-S649 PolarHBondContact O-N 2.86Å; S646-S649 VanDerWaalsContact O-N 3.08Å; S649-L653 VanDerWaalsContact O-CB 3.28Å; S649-L653 WeakPolarHBondContact O-CB 3.48Å; S649-L653 WeakPolarHBondContact O-CG 3.28Å; S649-L653 PolarHBondContact O-N 3.27Å |
| 650 | Y | 95.4 | Very high | 93.2 | Very high | 13 Ų | 13 | 41.4 Ų | 41.4 | 5% | 0.051 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.2 | -49.9 | 174.9 | 172.9 | -98.4 | 0 | 0 | 0 | 112 | L601 I604 L616 T617 F618 L633 V642 S646 R647 I648 H652 L653 M654 | L601-Y650 HydrophobicContact CD2-CE1 4.16Å; I604-Y650 HydrophobicContact CD1-CE1 3.98Å; L616-Y650 HydrophobicContact CD1-CE1 4.04Å; T617-Y650 WeakPolarHBondContact O-CE2 2.99Å; F618-Y650 HydrophobicContact CD1-CD2 4.31Å; F618-Y650 HydrophobicContact CG-CD2 4.48Å; L633-Y650 HydrophobicContact CD1-CD2 3.91Å; L633-Y650 HydrophobicContact CD1-CE2 3.72Å; V642-Y650 HydrophobicContact CG1-CD1 4.39Å; V642-Y650 HydrophobicContact CG1-CG 4.05Å; V642-Y650 HydrophobicContact CG2-CD1 4.28Å; V642-Y650 HydrophobicContact CG2-CD2 3.42Å; V642-Y650 VanDerWaalsContact CG2-CD2 3.42Å; V642-Y650 HydrophobicContact CG2-CE2 3.93Å; V642-Y650 HydrophobicContact CG2-CG 3.6Å; S646-Y650 PolarHBondContact O-N 2.82Å; R647-Y650 WeakPolarHBondContact O-CB 3.32Å; R647-Y650 PolarHBondContact O-N 2.97Å; I648-Y650 VanDerWaalsContact C-N 3.29Å; I648-Y650 PolarHBondContact O-N 2.88Å; Y650-H652 PolarHBondContact O-N 3.22Å; Y650-L653 PolarHBondContact O-N 3.38Å; Y650-M654 HydrophobicContact CE1-CE 4.43Å; Y650-M654 HydrophobicContact CE2-CE 3.89Å; Y650-M654 WeakPolarHBondContact O-CB 3.48Å; Y650-M654 PolarHBondContact O-N 3.27Å; Y650-M654 WeakPolarHBondContact OH-CE 3.11Å |
| 651 | V | 94.7 | Very high | 93.1 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -55.7 | -48.8 | 178.8 | 165.4 | 0 | 0 | 0 | 0 | 111.5 | I587 L601 I604 K605 R647 I648 M654 A655 | I587-V651 HydrophobicContact CD1-CG1 4Å; I587-V651 HydrophobicContact CG1-CG1 4.27Å; L601-V651 HydrophobicContact CB-CG1 4.11Å; L601-V651 HydrophobicContact CB-CG2 4.38Å; L601-V651 HydrophobicContact CD1-CG1 4.45Å; L601-V651 HydrophobicContact CD2-CG2 4.28Å; I604-V651 HydrophobicContact CB-CG2 4.46Å; I604-V651 HydrophobicContact CG2-CG2 4.25Å; K605-V651 HydrophobicContact CB-CG2 4.36Å; R647-V651 WeakPolarHBondContact O-CG2 3.46Å; R647-V651 PolarHBondContact O-N 3.43Å; I648-V651 PolarHBondContact O-N 2.97Å; V651-M654 PolarHBondContact O-N 3.29Å; V651-A655 WeakPolarHBondContact O-CB 3.39Å; V651-A655 PolarHBondContact O-N 2.95Å |
| 652 | H | 92.4 | Very high | 92.8 | Very high | 41 Ų | 41 | 40.9 Ų | 40.9 | 19% | 0.19 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69.8 | -36.9 | -180 | -75.8 | -82 | 0 | 0 | 0 | 113 | S585 I648 Y650 Y656 | S585-H652 PolarHBondContact OG-CE1 2.77Å; I648-H652 PolarHBondContact O-CD2 2.72Å; I648-H652 VanDerWaalsContact O-CD2 3.23Å; I648-H652 PolarHBondContact O-N 3.14Å; Y650-H652 PolarHBondContact O-N 3.22Å; H652-Y656 VanDerWaalsContact O-CB 3.27Å; H652-Y656 WeakPolarHBondContact O-CB 3.36Å; H652-Y656 PolarHBondContact O-N 3.32Å |
| 653 | L | 93.9 | Very high | 92.7 | Very high | 52 Ų | 52 | 41.1 Ų | 41.1 | 27% | 0.272 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -67.6 | -39.3 | 176.3 | -75.6 | 172.6 | 0 | 0 | 0 | 112 | F618 L633 R634 S649 Y650 Y656 H657 | F618-L653 HydrophobicContact CD1-CD1 3.9Å; F618-L653 HydrophobicContact CE1-CD1 3.98Å; L633-L653 HydrophobicContact CB-CB 4.23Å; R634-L653 HydrophobicContact CB-CD1 4.43Å; S649-L653 VanDerWaalsContact O-CB 3.28Å; S649-L653 WeakPolarHBondContact O-CB 3.48Å; S649-L653 WeakPolarHBondContact O-CG 3.28Å; S649-L653 PolarHBondContact O-N 3.27Å; Y650-L653 PolarHBondContact O-N 3.38Å; L653-Y656 PolarHBondContact O-N 3.36Å; L653-H657 VanDerWaalsContact O-CB 3.32Å; L653-H657 WeakPolarHBondContact O-CB 3.44Å; L653-H657 PolarHBondContact O-N 2.93Å |
| 654 | M | 95.6 | Very high | 92.7 | Very high | 20 Ų | 20 | 43 Ų | 43 | 10% | 0.099 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.2 | -47.9 | 174.9 | -174.5 | 65.6 | 80.2 | 0 | 0 | 111 | L597 L601 C620 L633 Y650 V651 Y656 H657 R658 | L597-M654 HydrophobicContact CD1-CG 4.33Å; L601-M654 HydrophobicContact CD1-CB 4.1Å; L601-M654 HydrophobicContact CD1-CG 4.07Å; L601-M654 HydrophobicContact CD2-CB 4.09Å; L601-M654 HydrophobicContact CD2-CG 4.04Å; C620-M654 HydrophobicContact CB-CE 3.69Å; C620-M654 HydrophobicContact CB-SD 3.63Å; L633-M654 HydrophobicContact CD1-CB 4.33Å; L633-M654 HydrophobicContact CD1-CE 3.89Å; L633-M654 HydrophobicContact CD1-SD 4.29Å; L633-M654 HydrophobicContact CD2-SD 4.31Å; Y650-M654 HydrophobicContact CE1-CE 4.43Å; Y650-M654 HydrophobicContact CE2-CE 3.89Å; Y650-M654 WeakPolarHBondContact O-CB 3.48Å; Y650-M654 PolarHBondContact O-N 3.27Å; Y650-M654 WeakPolarHBondContact OH-CE 3.11Å; V651-M654 PolarHBondContact O-N 3.29Å; M654-Y656 VanDerWaalsContact C-N 3.34Å; M654-Y656 PolarHBondContact O-N 2.86Å; M654-H657 PolarHBondContact O-N 3.41Å; M654-R658 WeakPolarHBondContact O-CB 3.32Å; M654-R658 PolarHBondContact O-N 2.97Å |
| 655 | A | 94.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.3 | -43.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | C586 I587 L590 L601 V651 H657 R658 M659 | C586-A655 HydrophobicContact CB-CB 3.95Å; I587-A655 HydrophobicContact CB-CB 4.31Å; I587-A655 HydrophobicContact CD1-CB 4.23Å; L590-A655 HydrophobicContact CD2-CB 4.08Å; L601-A655 HydrophobicContact CD1-CB 4.4Å; V651-A655 WeakPolarHBondContact O-CB 3.39Å; V651-A655 PolarHBondContact O-N 2.95Å; A655-H657 VanDerWaalsContact C-N 3.35Å; A655-R658 PolarHBondContact O-N 3.44Å; A655-M659 WeakPolarHBondContact O-CB 3.29Å; A655-M659 WeakPolarHBondContact O-CG 3.32Å; A655-M659 PolarHBondContact O-N 3.49Å |
| 656 | Y | 93 | Very high | 93.4 | Very high | 81 Ų | 81 | 36.5 Ų | 36.5 | 32% | 0.318 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -63 | -40.7 | 175.8 | 179.8 | -108.1 | 0 | 0 | 0 | 112.1 | H652 L653 M654 H660 M661 | H652-Y656 VanDerWaalsContact O-CB 3.27Å; H652-Y656 WeakPolarHBondContact O-CB 3.36Å; H652-Y656 PolarHBondContact O-N 3.32Å; L653-Y656 PolarHBondContact O-N 3.36Å; M654-Y656 VanDerWaalsContact C-N 3.34Å; M654-Y656 PolarHBondContact O-N 2.86Å; Y656-H660 HydrophobicContact CD2-CB 4.08Å; Y656-H660 HydrophobicContact CE2-CB 3.92Å; Y656-H660 AromaticContact CE2-CD2 3.48Å; Y656-H660 VanDerWaalsContact CE2-CD2 3.48Å; Y656-H660 WeakPolarHBondContact CE2-CD2 3.24Å; Y656-H660 AromaticContact CE2-CG 3.85Å; Y656-H660 AromaticContact CZ-CD2 3.4Å; Y656-H660 WeakPolarHBondContact O-CB 3.32Å; Y656-H660 PolarHBondContact O-N 2.76Å; Y656-H660 PolarHBondContact OH-CD2 3.29Å; Y656-M661 HydrophobicContact CD1-CG 3.81Å; Y656-M661 HydrophobicContact CD1-SD 4.38Å; Y656-M661 HydrophobicContact CE1-CG 3.58Å; Y656-M661 HydrophobicContact CE1-SD 3.55Å; Y656-M661 VanDerWaalsContact CE1-SD 3.55Å; Y656-M661 PolarHBondContact O-N 3.01Å |
| 657 | H | 93.9 | Very high | 93.7 | Very high | 22 Ų | 22 | 35.8 Ų | 35.8 | 10% | 0.102 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.7 | -51.5 | 177.6 | -176.7 | 84.4 | 0 | 0 | 0 | 111.4 | C620 L633 L653 M654 A655 M661 Q662 | C620-H657 PolarHBondContact SG-CD2 2.82Å; C620-H657 PolarHBondContact SG-NE2 3.29Å; L633-H657 HydrophobicContact CD2-CB 3.54Å; L653-H657 VanDerWaalsContact O-CB 3.32Å; L653-H657 WeakPolarHBondContact O-CB 3.44Å; L653-H657 PolarHBondContact O-N 2.93Å; M654-H657 PolarHBondContact O-N 3.41Å; A655-H657 VanDerWaalsContact C-N 3.35Å; H657-M661 PolarHBondContact O-N 2.89Å; H657-M661 VanDerWaalsContact O-N 3.11Å; H657-Q662 WeakPolarHBondContact NE2-CG 3.47Å; H657-Q662 PolarHBondContact O-N 3.02Å |
| 658 | R | 92.8 | Very high | 93.8 | Very high | 48 Ų | 48 | 37.2 Ų | 37.2 | 18% | 0.181 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.1 | -42 | -179.4 | -177.4 | 72.9 | 174.4 | 79.3 | 7.2 | 113.8 | L590 L593 D594 L597 M654 A655 | L590-R658 HydrophobicContact CD1-CG 4.14Å; L593-R658 HydrophobicContact CD2-CG 4.13Å; D594-R658 IonicContact OD2-CZ 3.78Å; D594-R658 IonicContact OD2-NE 3.98Å; D594-R658 PolarHBondContact OD2-NE 3.33Å; D594-R658 VanDerWaalsContact OD2-NE 3.11Å; D594-R658 IonicContact OD2-NH2 2.68Å; D594-R658 PolarHBondContact OD2-NH2 2.83Å; L597-R658 HydrophobicContact CD2-CB 3.95Å; L597-R658 HydrophobicContact CD2-CG 3.67Å; M654-R658 WeakPolarHBondContact O-CB 3.32Å; M654-R658 PolarHBondContact O-N 2.97Å; A655-R658 PolarHBondContact O-N 3.44Å |
| 659 | M | 91.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -88 | -21.8 | -172.1 | -64.9 | -78.9 | -64 | 0 | 0 | 113.4 | F570 C586 E589 L590 L593 A655 | F570-M659 HydrophobicContact CB-CE 3.54Å; F570-M659 HydrophobicContact CD1-CE 3.34Å; F570-M659 HydrophobicContact CD1-SD 4.4Å; F570-M659 HydrophobicContact CD2-CE 4.2Å; F570-M659 HydrophobicContact CE1-CE 4.02Å; F570-M659 HydrophobicContact CG-CE 3.43Å; F570-M659 VanDerWaalsContact CG-CE 3.43Å; C586-M659 HydrophobicContact CB-CB 4.29Å; C586-M659 HydrophobicContact CB-CG 4.23Å; E589-M659 HydrophobicContact CB-CE 3.74Å; L590-M659 HydrophobicContact CB-SD 4.4Å; L590-M659 HydrophobicContact CD1-CG 3.87Å; L590-M659 HydrophobicContact CD1-SD 3.75Å; L593-M659 HydrophobicContact CB-CE 4.4Å; L593-M659 HydrophobicContact CB-SD 3.55Å; L593-M659 VanDerWaalsContact CB-SD 3.55Å; L593-M659 HydrophobicContact CD2-CG 4.23Å; L593-M659 HydrophobicContact CD2-SD 3.17Å; L593-M659 WeakPolarHBondContact CD2-SD 3.33Å; L593-M659 HydrophobicContact CG-SD 3.93Å; A655-M659 WeakPolarHBondContact O-CB 3.29Å; A655-M659 WeakPolarHBondContact O-CG 3.32Å; A655-M659 PolarHBondContact O-N 3.49Å |
| 660 | H | 92.2 | Very high | 94.4 | Very high | 11 Ų | 11 | 32 Ų | 32 | 5% | 0.051 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -133 | -57.5 | -171.6 | -175.8 | 70.7 | 0 | 0 | 0 | 112.6 | H574 Y656 Q662 I663 K664 | H574-H660 AromaticContact CE1-CE1 3.43Å; H574-H660 PolarHBondContact CE1-CE1 3.48Å; H574-H660 VanDerWaalsContact CE1-CE1 3.43Å; H574-H660 AromaticContact CE1-ND1 3.06Å; H574-H660 PolarHBondContact CE1-ND1 3.01Å; H574-H660 AromaticContact NE2-ND1 3.28Å; H574-H660 PolarHBondContact NE2-ND1 3.13Å; Y656-H660 HydrophobicContact CD2-CB 4.08Å; Y656-H660 HydrophobicContact CE2-CB 3.92Å; Y656-H660 AromaticContact CE2-CD2 3.48Å; Y656-H660 VanDerWaalsContact CE2-CD2 3.48Å; Y656-H660 WeakPolarHBondContact CE2-CD2 3.24Å; Y656-H660 AromaticContact CE2-CG 3.85Å; Y656-H660 AromaticContact CZ-CD2 3.4Å; Y656-H660 WeakPolarHBondContact O-CB 3.32Å; Y656-H660 PolarHBondContact O-N 2.76Å; Y656-H660 PolarHBondContact OH-CD2 3.29Å; H660-Q662 PolarHBondContact O-N 2.8Å; H660-I663 CarbonylContact O-C 3.51Å; H660-I663 PolarHBondContact O-N 2.69Å; H660-K664 WeakPolarHBondContact O-CA 3.38Å; H660-K664 PolarHBondContact O-N 2.77Å |
| 661 | M | 92.6 | Very high | 94.5 | Very high | 83 Ų | 83 | 32.3 Ų | 32.3 | 41% | 0.409 | 15% | 0.152 | S | C | . | . | G | 310 helix | trans | -62.4 | -41.9 | -171.1 | -66.2 | -64.3 | -59 | 0 | 0 | 113.3 | Y656 H657 I663 K664 | Y656-M661 HydrophobicContact CD1-CG 3.81Å; Y656-M661 HydrophobicContact CD1-SD 4.38Å; Y656-M661 HydrophobicContact CE1-CG 3.58Å; Y656-M661 HydrophobicContact CE1-SD 3.55Å; Y656-M661 VanDerWaalsContact CE1-SD 3.55Å; Y656-M661 PolarHBondContact O-N 3.01Å; H657-M661 PolarHBondContact O-N 2.89Å; H657-M661 VanDerWaalsContact O-N 3.11Å; M661-I663 PolarHBondContact O-N 3.05Å; M661-K664 WeakPolarHBondContact O-CB 3.48Å; M661-K664 PolarHBondContact O-N 3.37Å |
| 662 | Q | 92.1 | Very high | 94.5 | Very high | 37 Ų | 37 | 37.7 Ų | 37.7 | 17% | 0.173 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -64.1 | -23.7 | -179.1 | -75.7 | -176.7 | -38.1 | 0 | 0 | 114.1 | E622 H657 H660 | E622-Q662 VanDerWaalsContact CD-NE2 3.26Å; E622-Q662 PolarHBondContact OE2-NE2 2.72Å; H657-Q662 WeakPolarHBondContact NE2-CG 3.47Å; H657-Q662 PolarHBondContact O-N 3.02Å; H660-Q662 PolarHBondContact O-N 2.8Å |
| 663 | I | 93.5 | Very high | 94.7 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -123.7 | 20.6 | -174.4 | 55.7 | 167.9 | 0 | 0 | 0 | 111.8 | P535 F570 H660 M661 D665 Q666 L667 | P535-I663 HydrophobicContact CB-CB 4.32Å; P535-I663 HydrophobicContact CB-CG2 4.42Å; P535-I663 WeakPolarHBondContact O-CG2 3.26Å; F570-I663 HydrophobicContact CE2-CD1 3.69Å; F570-I663 HydrophobicContact CZ-CD1 4.34Å; H660-I663 CarbonylContact O-C 3.51Å; H660-I663 PolarHBondContact O-N 2.69Å; M661-I663 PolarHBondContact O-N 3.05Å; I663-D665 PolarHBondContact O-N 3.04Å; I663-Q666 VanDerWaalsContact CA-OE1 3.24Å; I663-Q666 PolarHBondContact O-N 3.34Å; I663-Q666 PolarHBondContact O-OE1 3.32Å; I663-L667 HydrophobicContact CD1-CD1 3.6Å; I663-L667 HydrophobicContact CD1-CD2 4.41Å; I663-L667 HydrophobicContact CD1-CG 3.93Å; I663-L667 HydrophobicContact CG1-CD1 3.69Å; I663-L667 HydrophobicContact CG1-CG 4.08Å; I663-L667 WeakPolarHBondContact O-CB 3.47Å; I663-L667 WeakPolarHBondContact O-CG 3.44Å; I663-L667 PolarHBondContact O-N 3.12Å |
| 664 | K | 94.8 | Very high | 94.7 | Very high | 77 Ų | 77 | 33.5 Ų | 33.5 | 34% | 0.335 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -59.8 | -51 | -170.8 | -177.7 | -173.7 | 171.5 | -169.1 | 0 | 111.5 | H660 M661 Q666 L667 E668 | H660-K664 WeakPolarHBondContact O-CA 3.38Å; H660-K664 PolarHBondContact O-N 2.77Å; M661-K664 WeakPolarHBondContact O-CB 3.48Å; M661-K664 PolarHBondContact O-N 3.37Å; K664-Q666 VanDerWaalsContact C-N 3.32Å; K664-Q666 PolarHBondContact O-N 3.02Å; K664-L667 PolarHBondContact O-N 2.74Å; K664-E668 WeakPolarHBondContact CE-OE1 3.15Å; K664-E668 HydrophobicContact CG-CG 4.39Å; K664-E668 IonicContact NZ-OE1 3.58Å; K664-E668 WeakPolarHBondContact O-CB 3.34Å; K664-E668 WeakPolarHBondContact O-CG 3.1Å; K664-E668 PolarHBondContact O-N 3.2Å |
| 665 | D | 96.3 | Very high | 94.7 | Very high | 80 Ų | 80 | 35.1 Ų | 35.1 | 43% | 0.428 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -65.4 | -38.4 | -175.5 | -64.5 | -17.9 | 0 | 0 | 0 | 111.4 | V546 I663 A669 | V546-D665 HydrophobicContact CG2-CB 4.44Å; I663-D665 PolarHBondContact O-N 3.04Å; D665-A669 VanDerWaalsContact O-CB 3.24Å; D665-A669 WeakPolarHBondContact O-CB 3.36Å; D665-A669 PolarHBondContact O-N 2.74Å |
| 666 | Q | 97.1 | Very high | 94.7 | Very high | 7 Ų | 7 | 37.8 Ų | 37.8 | 3% | 0.033 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.7 | -49.8 | 175.2 | -60.7 | 86.9 | -27.9 | 0 | 0 | 111.1 | P535 S536 S539 Y545 F549 I663 K664 F670 | P535-Q666 HydrophobicContact CB-CB 3.72Å; P535-Q666 HydrophobicContact CB-CG 4.3Å; P535-Q666 HydrophobicContact CG-CB 4.32Å; S536-Q666 PolarHBondContact O-NE2 3.47Å; S539-Q666 VanDerWaalsContact OG-CG 3.24Å; S539-Q666 WeakPolarHBondContact OG-CG 3.27Å; S539-Q666 PolarHBondContact OG-NE2 3.29Å; Y545-Q666 HydrophobicContact CD2-CG 4.13Å; Y545-Q666 HydrophobicContact CE2-CG 4.17Å; F549-Q666 HydrophobicContact CD1-CB 4.15Å; F549-Q666 HydrophobicContact CD2-CB 3.7Å; F549-Q666 HydrophobicContact CD2-CG 3.63Å; F549-Q666 HydrophobicContact CE1-CB 4.06Å; F549-Q666 HydrophobicContact CE1-CG 4.41Å; F549-Q666 HydrophobicContact CE2-CB 3.64Å; F549-Q666 HydrophobicContact CE2-CG 3.21Å; F549-Q666 HydrophobicContact CG-CB 3.98Å; F549-Q666 HydrophobicContact CG-CG 4.4Å; F549-Q666 HydrophobicContact CZ-CB 3.79Å; F549-Q666 HydrophobicContact CZ-CG 3.63Å; I663-Q666 VanDerWaalsContact CA-OE1 3.24Å; I663-Q666 PolarHBondContact O-N 3.34Å; I663-Q666 PolarHBondContact O-OE1 3.32Å; K664-Q666 VanDerWaalsContact C-N 3.32Å; K664-Q666 PolarHBondContact O-N 3.02Å; Q666-F670 WeakPolarHBondContact O-CB 3.24Å; Q666-F670 PolarHBondContact O-N 3.44Å |
| 667 | L | 95.8 | Very high | 94.7 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.016 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.9 | -48 | 179.6 | -78 | 175.5 | 0 | 0 | 0 | 111.5 | P535 V571 I663 K664 A669 F670 V671 | P535-L667 HydrophobicContact CG-CD2 3.91Å; P535-L667 HydrophobicContact CG-CG 4.32Å; V571-L667 HydrophobicContact CG1-CD2 4.09Å; V571-L667 HydrophobicContact CG2-CD2 4.23Å; I663-L667 HydrophobicContact CD1-CD1 3.6Å; I663-L667 HydrophobicContact CD1-CD2 4.41Å; I663-L667 HydrophobicContact CD1-CG 3.93Å; I663-L667 HydrophobicContact CG1-CD1 3.69Å; I663-L667 HydrophobicContact CG1-CG 4.08Å; I663-L667 WeakPolarHBondContact O-CB 3.47Å; I663-L667 WeakPolarHBondContact O-CG 3.44Å; I663-L667 PolarHBondContact O-N 3.12Å; K664-L667 PolarHBondContact O-N 2.74Å; L667-A669 PolarHBondContact O-N 2.79Å; L667-F670 PolarHBondContact O-N 3.17Å; L667-V671 WeakPolarHBondContact O-CB 3.49Å; L667-V671 WeakPolarHBondContact O-CG2 3.44Å; L667-V671 PolarHBondContact O-N 3.47Å |
| 668 | E | 96.7 | Very high | 94.6 | Very high | 90 Ų | 90 | 33.9 Ų | 33.9 | 42% | 0.421 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -63 | -41.9 | -179.2 | -74.2 | -177.5 | 178.9 | 0 | 0 | 111.7 | K664 R672 | K664-E668 WeakPolarHBondContact CE-OE1 3.15Å; K664-E668 HydrophobicContact CG-CG 4.39Å; K664-E668 IonicContact NZ-OE1 3.58Å; K664-E668 WeakPolarHBondContact O-CB 3.34Å; K664-E668 WeakPolarHBondContact O-CG 3.1Å; K664-E668 PolarHBondContact O-N 3.2Å; E668-R672 WeakPolarHBondContact O-CB 3.36Å; E668-R672 PolarHBondContact O-N 3.41Å |
| 669 | A | 97.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.2 | -47.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V546 F549 E550 D665 L667 V671 R672 G673 | V546-A669 HydrophobicContact CG1-CB 3.71Å; V546-A669 WeakPolarHBondContact O-CB 3.29Å; F549-A669 HydrophobicContact CB-CB 4.03Å; E550-A669 VanDerWaalsContact CA-O 3.25Å; E550-A669 WeakPolarHBondContact CA-O 3.43Å; E550-A669 HydrophobicContact CB-CB 4.24Å; D665-A669 VanDerWaalsContact O-CB 3.24Å; D665-A669 WeakPolarHBondContact O-CB 3.36Å; D665-A669 PolarHBondContact O-N 2.74Å; L667-A669 PolarHBondContact O-N 2.79Å; A669-V671 PolarHBondContact O-N 3.14Å; A669-R672 PolarHBondContact O-N 2.84Å; A669-G673 PolarHBondContact O-N 3.4Å |
| 670 | F | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.3 | -47.1 | 176.9 | 179.5 | -87.6 | 0 | 0 | 0 | 112.3 | F518 F525 F549 I552 G553 L556 L567 I575 Q666 L667 G673 F674 | F518-F670 HydrophobicContact CZ-CE2 4.15Å; F518-F670 HydrophobicContact CZ-CZ 4.44Å; F525-F670 HydrophobicContact CE1-CE2 4.43Å; F525-F670 HydrophobicContact CZ-CD2 4.07Å; F525-F670 AromaticContact CZ-CE2 3.95Å; F525-F670 HydrophobicContact CZ-CE2 3.95Å; F549-F670 HydrophobicContact CB-CB 4.19Å; F549-F670 HydrophobicContact CD1-CB 4.31Å; F549-F670 HydrophobicContact CD1-CD2 4.42Å; F549-F670 WeakPolarHBondContact O-CA 3.39Å; I552-F670 HydrophobicContact CB-CD2 4.44Å; I552-F670 HydrophobicContact CG2-CD2 4.2Å; I552-F670 HydrophobicContact CG2-CE2 3.86Å; G553-F670 WeakPolarHBondContact CA-O 3.27Å; L556-F670 HydrophobicContact CD2-CE1 4.39Å; L556-F670 HydrophobicContact CD2-CE2 4.34Å; L556-F670 HydrophobicContact CD2-CZ 3.56Å; L567-F670 HydrophobicContact CD1-CZ 4.31Å; I575-F670 HydrophobicContact CD1-CE1 3.64Å; I575-F670 HydrophobicContact CD1-CZ 4.48Å; I575-F670 HydrophobicContact CG1-CD1 4.38Å; I575-F670 HydrophobicContact CG1-CE1 3.95Å; Q666-F670 WeakPolarHBondContact O-CB 3.24Å; Q666-F670 PolarHBondContact O-N 3.44Å; L667-F670 PolarHBondContact O-N 3.17Å; F670-G673 PolarHBondContact O-N 2.99Å; F670-F674 WeakPolarHBondContact O-CB 3.25Å; F670-F674 PolarHBondContact O-N 3.33Å |
| 671 | V | 96.4 | Very high | 94.6 | Very high | 20 Ų | 20 | 38.4 Ų | 38.4 | 12% | 0.121 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.5 | -42.7 | 179 | 172 | 0 | 0 | 0 | 0 | 111 | H574 I575 L667 A669 G673 F674 H675 | H574-V671 HydrophobicContact CB-CG2 4.13Å; I575-V671 HydrophobicContact CG1-CG2 4.15Å; L667-V671 WeakPolarHBondContact O-CB 3.49Å; L667-V671 WeakPolarHBondContact O-CG2 3.44Å; L667-V671 PolarHBondContact O-N 3.47Å; A669-V671 PolarHBondContact O-N 3.14Å; V671-G673 VanDerWaalsContact C-N 3.34Å; V671-G673 PolarHBondContact O-N 3.22Å; V671-F674 PolarHBondContact O-N 2.8Å; V671-H675 WeakPolarHBondContact CG1-CE1 3.26Å; V671-H675 WeakPolarHBondContact O-CB 3.48Å; V671-H675 PolarHBondContact O-N 2.66Å |
| 672 | R | 96.1 | Very high | 94.7 | Very high | 113 Ų | 113 | 36.4 Ų | 36.4 | 43% | 0.426 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -56.7 | -49.2 | 175.2 | 177.8 | 171.7 | 60.8 | -115.3 | -0.1 | 111.1 | E550 E668 A669 F674 H675 E676 | E550-R672 IonicContact OE2-CZ 3.32Å; E550-R672 VanDerWaalsContact OE2-CZ 3.22Å; E550-R672 IonicContact OE2-NE 3.73Å; E550-R672 PolarHBondContact OE2-NE 3.17Å; E550-R672 IonicContact OE2-NH2 3.42Å; E550-R672 PolarHBondContact OE2-NH2 2.74Å; E668-R672 WeakPolarHBondContact O-CB 3.36Å; E668-R672 PolarHBondContact O-N 3.41Å; A669-R672 PolarHBondContact O-N 2.84Å; R672-F674 VanDerWaalsContact C-N 3.33Å; R672-F674 PolarHBondContact O-N 2.72Å; R672-H675 PolarHBondContact O-N 3.04Å; R672-E676 PolarHBondContact O-N 3.3Å; R672-E676 VanDerWaalsContact O-N 3.15Å |
| 673 | G | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.3 | -41.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | E550 G553 R554 A669 F670 V671 L677 | E550-G673 WeakPolarHBondContact O-CA 3.33Å; G553-G673 VanDerWaalsContact C-C 3.48Å; R554-G673 WeakPolarHBondContact CA-O 3.45Å; R554-G673 VanDerWaalsContact CG-O 3.27Å; R554-G673 WeakPolarHBondContact CG-O 3.23Å; R554-G673 PolarHBondContact N-O 3.31Å; A669-G673 PolarHBondContact O-N 3.4Å; F670-G673 PolarHBondContact O-N 2.99Å; V671-G673 VanDerWaalsContact C-N 3.34Å; V671-G673 PolarHBondContact O-N 3.22Å; G673-L677 WeakPolarHBondContact O-CD2 3.25Å |
| 674 | F | 95.2 | Very high | 94.8 | Very high | 6 Ų | 6 | 38.1 Ų | 38.1 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.9 | -44.2 | 176.8 | -170.2 | -87.4 | 0 | 0 | 0 | 112.4 | G553 L556 I575 F670 V671 R672 E676 L677 I678 L683 F691 | G553-F674 VanDerWaalsContact O-CA 3.28Å; G553-F674 WeakPolarHBondContact O-CA 3.3Å; L556-F674 HydrophobicContact CB-CD2 4.24Å; L556-F674 HydrophobicContact CB-CE2 4.44Å; L556-F674 HydrophobicContact CD2-CD2 4.28Å; L556-F674 HydrophobicContact CD2-CE2 4.26Å; L556-F674 HydrophobicContact CG-CD2 4.31Å; L556-F674 HydrophobicContact CG-CE2 4.12Å; I575-F674 HydrophobicContact CG2-CD1 3.58Å; I575-F674 HydrophobicContact CG2-CE1 3.62Å; I575-F674 HydrophobicContact CG2-CG 4.18Å; I575-F674 HydrophobicContact CG2-CZ 4.25Å; F670-F674 WeakPolarHBondContact O-CB 3.25Å; F670-F674 PolarHBondContact O-N 3.33Å; V671-F674 PolarHBondContact O-N 2.8Å; R672-F674 VanDerWaalsContact C-N 3.33Å; R672-F674 PolarHBondContact O-N 2.72Å; F674-E676 VanDerWaalsContact C-N 3.27Å; F674-E676 PolarHBondContact O-N 3.37Å; F674-L677 PolarHBondContact O-N 3.18Å; F674-L677 VanDerWaalsContact O-N 3.1Å; F674-I678 HydrophobicContact CD1-CB 4.29Å; F674-I678 HydrophobicContact CE1-CB 3.73Å; F674-I678 HydrophobicContact CE1-CG1 4.04Å; F674-I678 HydrophobicContact CE1-CG2 4.08Å; F674-I678 HydrophobicContact CZ-CB 4.21Å; F674-I678 HydrophobicContact CZ-CG1 4.01Å; F674-I678 PolarHBondContact O-N 3.45Å; F674-L683 HydrophobicContact CD1-CD1 4.14Å; F674-L683 HydrophobicContact CE1-CD1 3.68Å; F674-L683 HydrophobicContact CE1-CD2 4.1Å; F674-F691 HydrophobicContact CE1-CZ 4.18Å; F674-F691 AromaticContact CZ-CZ 3.72Å; F674-F691 HydrophobicContact CZ-CZ 3.72Å |
| 675 | H | 95.1 | Very high | 94.7 | Very high | 53 Ų | 53 | 34.6 Ų | 34.6 | 25% | 0.245 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69 | -20.8 | -178.6 | -72.6 | 171.9 | 0 | 0 | 0 | 114.3 | I575 V671 R672 L677 I678 | I575-H675 PolarHBondContact O-NE2 2.99Å; V671-H675 WeakPolarHBondContact CG1-CE1 3.26Å; V671-H675 WeakPolarHBondContact O-CB 3.48Å; V671-H675 PolarHBondContact O-N 2.66Å; R672-H675 PolarHBondContact O-N 3.04Å; H675-L677 PolarHBondContact O-N 3.06Å; H675-I678 WeakPolarHBondContact CA-O 3.25Å |
| 676 | E | 93.5 | Very high | 94.6 | Very high | 56 Ų | 56 | 30.8 Ų | 30.8 | 26% | 0.262 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -62.5 | -30.3 | 170.4 | -76.8 | -176.7 | -153.5 | 0 | 0 | 112.6 | K482 R554 R672 F674 | K482-E676 WeakPolarHBondContact CE-O 3.36Å; R554-E676 IonicContact CZ-OE1 2.73Å; R554-E676 IonicContact CZ-OE2 2.8Å; R554-E676 IonicContact NE-OE1 2.81Å; R554-E676 PolarHBondContact NE-OE1 3.36Å; R554-E676 IonicContact NE-OE2 3.04Å; R554-E676 PolarHBondContact NE-OE2 3.18Å; R554-E676 IonicContact NH1-OE2 3.02Å; R554-E676 VanDerWaalsContact NH2-CD 3.31Å; R554-E676 IonicContact NH2-OE1 3.39Å; R554-E676 PolarHBondContact NH2-OE1 3.12Å; R554-E676 IonicContact NH2-OE2 2.74Å; R554-E676 PolarHBondContact NH2-OE2 3.39Å; R554-E676 VanDerWaalsContact NH2-OE2 3.09Å; R672-E676 PolarHBondContact O-N 3.3Å; R672-E676 VanDerWaalsContact O-N 3.15Å; F674-E676 VanDerWaalsContact C-N 3.27Å; F674-E676 PolarHBondContact O-N 3.37Å |
| 677 | L | 92.5 | Very high | 94.4 | Very high | 6 Ų | 6 | 30.6 Ų | 30.6 | 3% | 0.031 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -100.5 | -37.3 | -175.7 | -73.3 | -58.8 | 0 | 0 | 0 | 111.9 | L481 K482 R554 K558 G673 F674 H675 | L481-L677 HydrophobicContact CB-CD1 3.94Å; K482-L677 VanDerWaalsContact CE-O 3.3Å; K482-L677 WeakPolarHBondContact CE-O 3.46Å; K482-L677 HydrophobicContact CG-CD1 3.68Å; R554-L677 HydrophobicContact CB-CD2 3.8Å; R554-L677 HydrophobicContact CG-CD2 3.76Å; K558-L677 HydrophobicContact CB-CG 4.37Å; G673-L677 WeakPolarHBondContact O-CD2 3.25Å; F674-L677 PolarHBondContact O-N 3.18Å; F674-L677 VanDerWaalsContact O-N 3.1Å; H675-L677 PolarHBondContact O-N 3.06Å |
| 678 | I | 92.8 | Very high | 94.2 | Very high | 15 Ų | 15 | 30.5 Ų | 30.5 | 8% | 0.077 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -121.6 | 124.6 | -177 | -56.3 | -63.3 | 0 | 0 | 0 | 110.3 | F434 F674 H675 W682 L683 | F434-I678 HydrophobicContact CE2-CG2 4.27Å; F434-I678 HydrophobicContact CZ-CG2 4.41Å; F674-I678 HydrophobicContact CD1-CB 4.29Å; F674-I678 HydrophobicContact CE1-CB 3.73Å; F674-I678 HydrophobicContact CE1-CG1 4.04Å; F674-I678 HydrophobicContact CE1-CG2 4.08Å; F674-I678 HydrophobicContact CZ-CB 4.21Å; F674-I678 HydrophobicContact CZ-CG1 4.01Å; F674-I678 PolarHBondContact O-N 3.45Å; H675-I678 WeakPolarHBondContact CA-O 3.25Å; I678-W682 HydrophobicContact CG2-CE3 4.4Å; I678-L683 HydrophobicContact CG2-CD1 4.36Å; I678-L683 HydrophobicContact CG2-CD2 3.69Å; I678-L683 HydrophobicContact CG2-CG 4.03Å |
| 679 | S | 92.6 | Very high | 93.9 | Very high | 28 Ų | 28 | 28.8 Ų | 28.8 | 20% | 0.196 | 14% | 0.138 | C | C | . | . | trans | -62.9 | 129.1 | 179.4 | 175.9 | 0 | 0 | 0 | 0 | 111.5 | D681 W682 | S679-D681 PolarHBondContact O-N 2.82Å; S679-D681 PolarHBondContact OG-N 3.39Å; S679-W682 PolarHBondContact O-N 3.07Å; S679-W682 VanDerWaalsContact O-N 3.11Å | ||
| 680 | P | 92.7 | Very high | 93.6 | Very high | 41 Ų | 41 | 29.7 Ų | 29.7 | 27% | 0.266 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -60.8 | -26.5 | 177.2 | 23.3 | -33.1 | 0 | 0 | 0 | 113 | W682 L683 K684 | P680-W682 VanDerWaalsContact C-N 3.29Å; P680-W682 PolarHBondContact O-N 3.5Å; P680-L683 WeakPolarHBondContact O-CB 3.26Å; P680-L683 PolarHBondContact O-N 3.13Å; P680-K684 PolarHBondContact O-N 3.26Å |
| 681 | D | 91.7 | Very high | 93.4 | Very high | 87 Ų | 87 | 30 Ų | 30 | 47% | 0.465 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -69 | -28.7 | 178.7 | -69.3 | -33.3 | 0 | 0 | 0 | 112.8 | S679 K684 | S679-D681 PolarHBondContact O-N 2.82Å; S679-D681 PolarHBondContact OG-N 3.39Å; D681-K684 IonicContact OD1-NZ 3.06Å; D681-K684 PolarHBondContact OD1-NZ 2.95Å |
| 682 | W | 93.7 | Very high | 93.2 | Very high | 40 Ų | 40 | 30.1 Ų | 30.1 | 15% | 0.152 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -76 | -28.9 | 175 | -51.7 | -19.4 | 0 | 0 | 0 | 111.7 | F434 Y437 V438 E441 I678 S679 P680 K684 L685 | F434-W682 HydrophobicContact CD2-CB 3.78Å; F434-W682 HydrophobicContact CE2-CB 3.91Å; F434-W682 HydrophobicContact CE2-CE3 4.46Å; Y437-W682 AromaticContact CD2-CD1 3.62Å; Y437-W682 HydrophobicContact CD2-CD2 4.46Å; Y437-W682 AromaticContact CD2-CG 3.98Å; Y437-W682 HydrophobicContact CD2-CG 3.98Å; Y437-W682 AromaticContact CD2-NE1 3.93Å; V438-W682 HydrophobicContact CG2-CE3 4.07Å; V438-W682 HydrophobicContact CG2-CZ3 3.99Å; E441-W682 HydrophobicContact CB-CH2 3.85Å; E441-W682 HydrophobicContact CG-CH2 4.26Å; I678-W682 HydrophobicContact CG2-CE3 4.4Å; S679-W682 PolarHBondContact O-N 3.07Å; S679-W682 VanDerWaalsContact O-N 3.11Å; P680-W682 VanDerWaalsContact C-N 3.29Å; P680-W682 PolarHBondContact O-N 3.5Å; W682-K684 VanDerWaalsContact C-N 3.34Å; W682-L685 VanDerWaalsContact O-CB 3.28Å; W682-L685 WeakPolarHBondContact O-CB 3.17Å; W682-L685 WeakPolarHBondContact O-CD1 3.34Å; W682-L685 WeakPolarHBondContact O-CG 3.21Å; W682-L685 PolarHBondContact O-N 3.03Å |
| 683 | L | 94.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -70.2 | -33.1 | 178.5 | -58.5 | 174.6 | 0 | 0 | 0 | 111.8 | F434 I575 I576 F674 I678 P680 L685 F686 F691 | F434-L683 HydrophobicContact CE2-CD2 4.43Å; I575-L683 HydrophobicContact CG2-CD1 3.88Å; I575-L683 WeakPolarHBondContact O-CD1 3.14Å; I576-L683 HydrophobicContact CG1-CB 4.34Å; I576-L683 HydrophobicContact CG2-CB 4.48Å; F674-L683 HydrophobicContact CD1-CD1 4.14Å; F674-L683 HydrophobicContact CE1-CD1 3.68Å; F674-L683 HydrophobicContact CE1-CD2 4.1Å; I678-L683 HydrophobicContact CG2-CD1 4.36Å; I678-L683 HydrophobicContact CG2-CD2 3.69Å; I678-L683 HydrophobicContact CG2-CG 4.03Å; P680-L683 WeakPolarHBondContact O-CB 3.26Å; P680-L683 PolarHBondContact O-N 3.13Å; L683-L685 PolarHBondContact O-N 3.39Å; L683-F686 PolarHBondContact O-N 3.44Å; L683-F691 HydrophobicContact CD2-CD2 4.12Å; L683-F691 HydrophobicContact CD2-CE2 3.52Å; L683-F691 HydrophobicContact CD2-CZ 3.88Å |
| 684 | K | 93 | Very high | 92.5 | Very high | 77 Ų | 77 | 27.8 Ų | 27.8 | 34% | 0.335 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -16.5 | 177.2 | -69.8 | 171.3 | -168.9 | 159 | 0 | 113.7 | P422 P680 D681 W682 F686 | P422-K684 WeakPolarHBondContact CG-O 3.49Å; P680-K684 PolarHBondContact O-N 3.26Å; D681-K684 IonicContact OD1-NZ 3.06Å; D681-K684 PolarHBondContact OD1-NZ 2.95Å; W682-K684 VanDerWaalsContact C-N 3.34Å; K684-F686 PolarHBondContact O-N 2.77Å |
| 685 | L | 94.3 | Very high | 92.1 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.016 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -22.1 | 172.4 | -64.2 | 177.6 | 0 | 0 | 0 | 113.3 | I418 P422 R430 F434 Y437 W682 L683 | I418-L685 HydrophobicContact CD1-CD2 4.43Å; I418-L685 HydrophobicContact CG2-CD2 3.53Å; P422-L685 HydrophobicContact CB-CD2 4.22Å; R430-L685 WeakPolarHBondContact CD-O 3.28Å; R430-L685 PolarHBondContact NH1-O 2.91Å; F434-L685 HydrophobicContact CB-CD1 4.14Å; Y437-L685 HydrophobicContact CE2-CD1 4.41Å; W682-L685 VanDerWaalsContact O-CB 3.28Å; W682-L685 WeakPolarHBondContact O-CB 3.17Å; W682-L685 WeakPolarHBondContact O-CD1 3.34Å; W682-L685 WeakPolarHBondContact O-CG 3.21Å; W682-L685 PolarHBondContact O-N 3.03Å; L683-L685 PolarHBondContact O-N 3.39Å |
| 686 | F | 94.5 | Very high | 91.4 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 0% | 0.004 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -123.1 | 151.9 | -167.7 | -54.5 | -65.6 | 0 | 0 | 0 | 112.1 | R430 I431 F434 R578 L683 K684 E690 F691 I694 | R430-F686 HydrophobicContact CB-CE1 3.73Å; R430-F686 HydrophobicContact CB-CZ 4.3Å; I431-F686 HydrophobicContact CG1-CE1 3.89Å; I431-F686 HydrophobicContact CG1-CZ 4.31Å; F434-F686 HydrophobicContact CB-CE2 3.77Å; F434-F686 HydrophobicContact CB-CZ 3.66Å; F434-F686 AromaticContact CD2-CE2 3.86Å; F434-F686 HydrophobicContact CD2-CE2 3.86Å; F434-F686 AromaticContact CG-CE2 3.81Å; F434-F686 HydrophobicContact CG-CE2 3.81Å; F434-F686 HydrophobicContact CG-CZ 4.15Å; R578-F686 PolarHBondContact NH2-O 3.35Å; L683-F686 PolarHBondContact O-N 3.44Å; K684-F686 PolarHBondContact O-N 2.77Å; F686-E690 WeakPolarHBondContact CA-OE2 3.41Å; F686-E690 HydrophobicContact CB-CB 3.93Å; F686-E690 HydrophobicContact CD1-CB 4.27Å; F686-F691 HydrophobicContact CB-CB 4.17Å; F686-I694 HydrophobicContact CB-CD1 4.44Å; F686-I694 HydrophobicContact CD1-CD1 3.54Å; F686-I694 HydrophobicContact CD2-CD1 3.45Å; F686-I694 VanDerWaalsContact CD2-CD1 3.45Å; F686-I694 HydrophobicContact CE1-CD1 3.53Å; F686-I694 HydrophobicContact CE2-CD1 3.42Å; F686-I694 VanDerWaalsContact CE2-CD1 3.42Å; F686-I694 HydrophobicContact CG-CD1 3.52Å; F686-I694 HydrophobicContact CZ-CD1 3.46Å; F686-I694 VanDerWaalsContact CZ-CD1 3.46Å |
| 687 | S | 92.4 | Very high | 90.7 | Very high | 3 Ų | 3 | 23 Ų | 23 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | trans | -73 | 171.7 | 160.1 | 81.6 | 0 | 0 | 0 | 0 | 111.2 | E689 E690 F691 | S687-E689 VanDerWaalsContact C-N 3.26Å; S687-E689 VanDerWaalsContact CB-OE2 3.28Å; S687-E689 WeakPolarHBondContact CB-OE2 3.35Å; S687-E689 PolarHBondContact O-N 3.19Å; S687-E689 PolarHBondContact OG-N 2.97Å; S687-E689 PolarHBondContact OG-OE2 3.26Å; S687-E690 PolarHBondContact N-OE2 2.96Å; S687-E690 PolarHBondContact O-N 3.44Å; S687-E690 WeakPolarHBondContact OG-CG 3.35Å; S687-E690 PolarHBondContact OG-N 3.44Å; S687-F691 VanDerWaalsContact O-CB 3.29Å; S687-F691 WeakPolarHBondContact O-CB 3.23Å; S687-F691 PolarHBondContact O-N 3.14Å | ||
| 688 | A | 91.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.008 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.7 | -41.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | R569 L572 I576 F691 Q692 | R569-A688 HydrophobicContact CG-CB 3.86Å; L572-A688 HydrophobicContact CB-CB 3.96Å; L572-A688 HydrophobicContact CD1-CB 4.3Å; L572-A688 VanDerWaalsContact CD1-O 3.3Å; L572-A688 WeakPolarHBondContact CD1-O 3.28Å; I576-A688 HydrophobicContact CD1-CB 4.45Å; A688-F691 PolarHBondContact O-N 3.2Å; A688-Q692 WeakPolarHBondContact O-CB 3.41Å; A688-Q692 PolarHBondContact O-N 3.46Å |
| 689 | E | 89.1 | Confident | 88.7 | Confident | 53 Ų | 53 | 28.5 Ų | 28.5 | 25% | 0.248 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.9 | -46.4 | -179.6 | -59.2 | 59.4 | -128.9 | 0 | 0 | 110.6 | C383 R569 S687 F691 Q692 L693 | C383-E689 WeakPolarHBondContact CB-OE2 3.4Å; R569-E689 IonicContact CZ-OE1 2.86Å; R569-E689 IonicContact NE-OE1 3.24Å; R569-E689 PolarHBondContact NE-OE1 3.01Å; R569-E689 IonicContact NH1-OE1 2.7Å; R569-E689 PolarHBondContact NH1-OE1 3.18Å; R569-E689 IonicContact NH2-OE1 2.78Å; R569-E689 PolarHBondContact NH2-OE1 3.22Å; R569-E689 IonicContact NH2-OE2 3.17Å; S687-E689 VanDerWaalsContact C-N 3.26Å; S687-E689 VanDerWaalsContact CB-OE2 3.28Å; S687-E689 WeakPolarHBondContact CB-OE2 3.35Å; S687-E689 PolarHBondContact O-N 3.19Å; S687-E689 PolarHBondContact OG-N 2.97Å; S687-E689 PolarHBondContact OG-OE2 3.26Å; E689-F691 VanDerWaalsContact C-N 3.29Å; E689-F691 PolarHBondContact O-N 3.39Å; E689-Q692 WeakPolarHBondContact O-CB 3Å; E689-Q692 PolarHBondContact O-N 3.39Å; E689-L693 WeakPolarHBondContact O-CG 3.16Å; E689-L693 PolarHBondContact O-N 3.05Å |
| 690 | E | 92.1 | Very high | 88 | Confident | 21 Ų | 21 | 29.8 Ų | 29.8 | 10% | 0.098 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.2 | -37.6 | 177.5 | -66.3 | -178.1 | 134.3 | 0 | 0 | 111.3 | R427 R430 F686 S687 L693 I694 | R427-E690 WeakPolarHBondContact CD-OE1 3.25Å; R427-E690 HydrophobicContact CG-CG 4.46Å; R427-E690 WeakPolarHBondContact CG-OE1 3.41Å; R430-E690 IonicContact CZ-OE1 3.84Å; R430-E690 IonicContact CZ-OE2 3.24Å; R430-E690 IonicContact NH1-OE1 3.64Å; R430-E690 PolarHBondContact NH1-OE1 3.2Å; R430-E690 IonicContact NH1-OE2 2.61Å; R430-E690 PolarHBondContact NH1-OE2 2.97Å; R430-E690 IonicContact NH2-OE1 2.81Å; R430-E690 PolarHBondContact NH2-OE1 2.69Å; R430-E690 IonicContact NH2-OE2 3.78Å; R430-E690 PolarHBondContact NH2-OE2 3.23Å; F686-E690 WeakPolarHBondContact CA-OE2 3.41Å; F686-E690 HydrophobicContact CB-CB 3.93Å; F686-E690 HydrophobicContact CD1-CB 4.27Å; S687-E690 PolarHBondContact N-OE2 2.96Å; S687-E690 PolarHBondContact O-N 3.44Å; S687-E690 WeakPolarHBondContact OG-CG 3.35Å; S687-E690 PolarHBondContact OG-N 3.44Å; E690-L693 WeakPolarHBondContact O-CB 3.46Å; E690-L693 PolarHBondContact O-N 2.88Å; E690-I694 WeakPolarHBondContact O-CG1 3.23Å; E690-I694 PolarHBondContact O-N 3.33Å; E690-I694 VanDerWaalsContact O-N 3.11Å |
| 691 | F | 92.8 | Very high | 87.4 | Confident | 6 Ų | 6 | 31 Ų | 31 | 3% | 0.026 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -70.7 | -37.3 | 176.2 | -176.6 | -122.4 | 0 | 0 | 0 | 112 | L572 I575 I576 F674 L683 F686 S687 A688 E689 L693 I694 L695 | L572-F691 HydrophobicContact CB-CD1 4.44Å; L572-F691 HydrophobicContact CD2-CD1 3.77Å; L572-F691 HydrophobicContact CD2-CE1 3.98Å; I575-F691 HydrophobicContact CB-CE1 4.39Å; I575-F691 HydrophobicContact CD1-CE1 4.39Å; I575-F691 HydrophobicContact CG2-CE1 3.74Å; I575-F691 HydrophobicContact CG2-CZ 4.14Å; I576-F691 HydrophobicContact CD1-CB 3.94Å; I576-F691 HydrophobicContact CD1-CD1 4.21Å; I576-F691 HydrophobicContact CD1-CG 4.32Å; I576-F691 HydrophobicContact CG1-CD1 4.13Å; I576-F691 HydrophobicContact CG1-CG 4.4Å; F674-F691 HydrophobicContact CE1-CZ 4.18Å; F674-F691 AromaticContact CZ-CZ 3.72Å; F674-F691 HydrophobicContact CZ-CZ 3.72Å; L683-F691 HydrophobicContact CD2-CD2 4.12Å; L683-F691 HydrophobicContact CD2-CE2 3.52Å; L683-F691 HydrophobicContact CD2-CZ 3.88Å; F686-F691 HydrophobicContact CB-CB 4.17Å; S687-F691 VanDerWaalsContact O-CB 3.29Å; S687-F691 WeakPolarHBondContact O-CB 3.23Å; S687-F691 PolarHBondContact O-N 3.14Å; A688-F691 PolarHBondContact O-N 3.2Å; E689-F691 VanDerWaalsContact C-N 3.29Å; E689-F691 PolarHBondContact O-N 3.39Å; F691-L693 VanDerWaalsContact C-N 3.26Å; F691-L693 PolarHBondContact O-N 3.42Å; F691-I694 HydrophobicContact CD2-CB 4.44Å; F691-I694 WeakPolarHBondContact O-CB 3.4Å; F691-I694 PolarHBondContact O-N 3.48Å; F691-L695 WeakPolarHBondContact O-CB 3.45Å; F691-L695 PolarHBondContact O-N 3.31Å |
| 692 | Q | 91 | Very high | 87.2 | Confident | 22 Ų | 22 | 27.2 Ų | 27.2 | 10% | 0.103 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.6 | -40.7 | 171.9 | -173.6 | 54.3 | 74.4 | 0 | 0 | 111.4 | V565 F566 L567 L572 A688 E689 I694 L695 S696 | V565-Q692 PolarHBondContact O-NE2 3.28Å; F566-Q692 HydrophobicContact CD1-CG 3.96Å; F566-Q692 HydrophobicContact CE1-CG 4.4Å; L567-Q692 PolarHBondContact O-OE1 2.91Å; L572-Q692 HydrophobicContact CD1-CB 3.7Å; L572-Q692 HydrophobicContact CD1-CG 4.26Å; A688-Q692 WeakPolarHBondContact O-CB 3.41Å; A688-Q692 PolarHBondContact O-N 3.46Å; E689-Q692 WeakPolarHBondContact O-CB 3Å; E689-Q692 PolarHBondContact O-N 3.39Å; Q692-I694 VanDerWaalsContact C-N 3.34Å; Q692-L695 PolarHBondContact O-N 3.15Å; Q692-S696 VanDerWaalsContact NE2-CB 3.33Å; Q692-S696 PolarHBondContact NE2-OG 2.94Å; Q692-S696 WeakPolarHBondContact O-CB 3.47Å; Q692-S696 PolarHBondContact O-N 2.96Å; Q692-S696 PolarHBondContact O-OG 2.77Å |
| 693 | L | 88.2 | Confident | 87 | Confident | 35 Ų | 35 | 29.5 Ų | 29.5 | 18% | 0.183 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.5 | -36.9 | 174.4 | -70.7 | 173.6 | 0 | 0 | 0 | 112 | E689 E690 F691 G697 V699 L755 | E689-L693 WeakPolarHBondContact O-CG 3.16Å; E689-L693 PolarHBondContact O-N 3.05Å; E690-L693 WeakPolarHBondContact O-CB 3.46Å; E690-L693 PolarHBondContact O-N 2.88Å; F691-L693 VanDerWaalsContact C-N 3.26Å; F691-L693 PolarHBondContact O-N 3.42Å; L693-G697 WeakPolarHBondContact CD2-O 3.46Å; L693-G697 CarbonylContact O-C 3.17Å; L693-G697 VanDerWaalsContact O-CA 3.26Å; L693-G697 WeakPolarHBondContact O-CA 3.25Å; L693-G697 PolarHBondContact O-N 3.25Å; L693-V699 HydrophobicContact CD2-CG2 4.38Å; L693-L755 VanDerWaalsContact C-CD1 3.48Å; L693-L755 HydrophobicContact CB-CD1 4.06Å; L693-L755 HydrophobicContact CB-CD2 4.06Å; L693-L755 WeakPolarHBondContact O-CD1 3.16Å; L693-L755 VanDerWaalsContact O-CG 3.3Å; L693-L755 WeakPolarHBondContact O-CG 3.48Å |
| 694 | I | 88.4 | Confident | 87 | Confident | 30 Ų | 30 | 30.9 Ų | 30.9 | 15% | 0.154 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.3 | -43 | 177.5 | -68.1 | 163.9 | 0 | 0 | 0 | 110.4 | I431 F434 F686 E690 F691 Q692 L755 | I431-I694 HydrophobicContact CG1-CD1 4.24Å; I431-I694 HydrophobicContact CG1-CG1 4.34Å; F434-I694 HydrophobicContact CE1-CG2 4.29Å; F686-I694 HydrophobicContact CB-CD1 4.44Å; F686-I694 HydrophobicContact CD1-CD1 3.54Å; F686-I694 HydrophobicContact CD2-CD1 3.45Å; F686-I694 VanDerWaalsContact CD2-CD1 3.45Å; F686-I694 HydrophobicContact CE1-CD1 3.53Å; F686-I694 HydrophobicContact CE2-CD1 3.42Å; F686-I694 VanDerWaalsContact CE2-CD1 3.42Å; F686-I694 HydrophobicContact CG-CD1 3.52Å; F686-I694 HydrophobicContact CZ-CD1 3.46Å; F686-I694 VanDerWaalsContact CZ-CD1 3.46Å; E690-I694 WeakPolarHBondContact O-CG1 3.23Å; E690-I694 PolarHBondContact O-N 3.33Å; E690-I694 VanDerWaalsContact O-N 3.11Å; F691-I694 HydrophobicContact CD2-CB 4.44Å; F691-I694 WeakPolarHBondContact O-CB 3.4Å; F691-I694 PolarHBondContact O-N 3.48Å; Q692-I694 VanDerWaalsContact C-N 3.34Å; I694-L755 VanDerWaalsContact CA-CD1 3.5Å; I694-L755 HydrophobicContact CB-CD1 4.14Å; I694-L755 HydrophobicContact CG1-CD1 3.53Å |
| 695 | L | 87 | Confident | 87 | Confident | 13 Ų | 13 | 34.1 Ų | 34.1 | 7% | 0.068 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.6 | -40.6 | -179.8 | -173.5 | 64.7 | 0 | 0 | 0 | 111.8 | L556 V562 V563 L567 L572 F691 Q692 | L556-L695 HydrophobicContact CD1-CD1 3.9Å; L556-L695 HydrophobicContact CD2-CD1 4.36Å; L556-L695 HydrophobicContact CD2-CD2 4.3Å; L556-L695 HydrophobicContact CG-CD1 4.07Å; V562-L695 CarbonylContact C-O 3.57Å; V562-L695 WeakPolarHBondContact CA-O 3.49Å; V563-L695 HydrophobicContact CG2-CD1 3.83Å; V563-L695 HydrophobicContact CG2-CG 3.85Å; V563-L695 WeakPolarHBondContact CG2-O 3.34Å; V563-L695 PolarHBondContact N-O 2.88Å; L567-L695 HydrophobicContact CD1-CD2 3.79Å; L567-L695 HydrophobicContact CG-CD2 4.19Å; L572-L695 HydrophobicContact CD2-CD2 4.49Å; F691-L695 WeakPolarHBondContact O-CB 3.45Å; F691-L695 PolarHBondContact O-N 3.31Å; Q692-L695 PolarHBondContact O-N 3.15Å |
| 696 | S | 82.1 | Confident | 86.9 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -126.9 | 10 | -162.9 | -42.1 | 0 | 0 | 0 | 0 | 114.8 | V562 V563 V565 Q692 K752 | V562-S696 WeakPolarHBondContact CG1-O 3.49Å; V563-S696 VanDerWaalsContact O-CA 3.28Å; V563-S696 WeakPolarHBondContact O-CA 3.41Å; V563-S696 WeakPolarHBondContact O-CB 3.48Å; V565-S696 WeakPolarHBondContact O-CB 3.33Å; V565-S696 PolarHBondContact O-OG 3.08Å; Q692-S696 VanDerWaalsContact NE2-CB 3.33Å; Q692-S696 PolarHBondContact NE2-OG 2.94Å; Q692-S696 WeakPolarHBondContact O-CB 3.47Å; Q692-S696 PolarHBondContact O-N 2.96Å; Q692-S696 PolarHBondContact O-OG 2.77Å; S696-K752 WeakPolarHBondContact O-CD 3.43Å; S696-K752 PolarHBondContact O-NZ 3.25Å |
| 697 | G | 77.4 | Confident | 86.9 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | trans | 85.3 | 177 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113 | V562 L693 | V562-G697 VanDerWaalsContact CG1-N 3.32Å; L693-G697 WeakPolarHBondContact CD2-O 3.46Å; L693-G697 CarbonylContact O-C 3.17Å; L693-G697 VanDerWaalsContact O-CA 3.26Å; L693-G697 WeakPolarHBondContact O-CA 3.25Å; L693-G697 PolarHBondContact O-N 3.25Å | ||
| 698 | D | 73.5 | Confident | 87.1 | Confident | 57 Ų | 57 | 38.6 Ų | 38.6 | 31% | 0.305 | 20% | 0.2 | S | C | . | . | trans | -76.8 | 142.5 | 174.6 | -159.6 | -10.2 | 0 | 0 | 0 | 110.4 | S700 K752 P753 L755 | D698-S700 VanDerWaalsContact C-N 3.25Å; D698-S700 PolarHBondContact OD1-N 3.09Å; D698-S700 PolarHBondContact OD1-OG 3.34Å; D698-S700 PolarHBondContact OD2-OG 2.65Å; D698-K752 WeakPolarHBondContact O-CB 3.42Å; D698-K752 WeakPolarHBondContact O-CG 3.29Å; D698-P753 HydrophobicContact CB-CG 4.2Å; D698-P753 PolarHBondContact N-O 3.46Å; D698-L755 HydrophobicContact CB-CD2 4Å | ||
| 699 | V | 69.8 | Low | 87.3 | Confident | 80 Ų | 80 | 45.7 Ų | 45.7 | 49% | 0.485 | 23% | 0.23 | S | C | . | . | trans | -81.3 | -13.9 | 175.7 | -169.7 | 0 | 0 | 0 | 0 | 110.9 | L693 R741 | L693-V699 HydrophobicContact CD2-CG2 4.38Å; V699-R741 PolarHBondContact O-NH2 3.14Å; V699-R741 VanDerWaalsContact O-NH2 3.11Å | ||
| 700 | S | 77.4 | Confident | 87.5 | Confident | 55 Ų | 55 | 45.4 Ų | 45.4 | 39% | 0.385 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -59 | 156.4 | 177.1 | 67.5 | 0 | 0 | 0 | 0 | 113 | D698 | D698-S700 VanDerWaalsContact C-N 3.25Å; D698-S700 PolarHBondContact OD1-N 3.09Å; D698-S700 PolarHBondContact OD1-OG 3.34Å; D698-S700 PolarHBondContact OD2-OG 2.65Å |
| 701 | D | 82.1 | Confident | 87.7 | Confident | 65 Ų | 65 | 44.9 Ų | 44.9 | 35% | 0.348 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -64.9 | 156 | 172.7 | -172.2 | 19.7 | 0 | 0 | 0 | 110.7 | D703 R740 | D701-D703 PolarHBondContact O-N 3.3Å; D701-R740 IonicContact OD1-CZ 2.88Å; D701-R740 IonicContact OD1-NE 3.71Å; D701-R740 PolarHBondContact OD1-NE 2.98Å; D701-R740 IonicContact OD1-NH2 2.87Å; D701-R740 IonicContact OD2-CZ 2.73Å; D701-R740 VanDerWaalsContact OD2-CZ 3.32Å; D701-R740 IonicContact OD2-NE 3.96Å; D701-R740 PolarHBondContact OD2-NE 3.06Å; D701-R740 IonicContact OD2-NH2 3.85Å; D701-R740 PolarHBondContact OD2-NH2 2.83Å |
| 702 | I | 86.3 | Confident | 87.8 | Confident | 9 Ų | 9 | 49 Ų | 49 | 5% | 0.046 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 118.4 | -175.8 | -59.7 | -178.3 | 0 | 0 | 0 | 109.9 | L704 L707 R740 L744 F758 | I702-L704 VanDerWaalsContact C-N 3.33Å; I702-L704 HydrophobicContact CG2-CD2 4.02Å; I702-L704 PolarHBondContact O-N 2.95Å; I702-L707 HydrophobicContact CG2-CD2 4.16Å; I702-R740 HydrophobicContact CD1-CB 4.08Å; I702-R740 WeakPolarHBondContact CD1-O 3.23Å; I702-L744 HydrophobicContact CD1-CB 3.49Å; I702-L744 VanDerWaalsContact CD1-CB 3.49Å; I702-L744 HydrophobicContact CD1-CD2 3.69Å; I702-L744 HydrophobicContact CD1-CG 4.13Å; I702-L744 HydrophobicContact CG1-CD2 4.23Å; I702-F758 HydrophobicContact CG2-CE2 3.93Å; I702-F758 HydrophobicContact CG2-CZ 3.86Å |
| 703 | D | 89.8 | Confident | 88.1 | Confident | 88 Ų | 88 | 49.9 Ų | 49.9 | 47% | 0.471 | 25% | 0.249 | S | C | . | . | trans | -69.7 | 91.7 | 166.1 | -176.7 | -12.6 | 0 | 0 | 0 | 109.7 | D701 H705 N706 L707 | D701-D703 PolarHBondContact O-N 3.3Å; D703-H705 PolarHBondContact O-N 3.31Å; D703-H705 WeakPolarHBondContact OD1-CA 3.43Å; D703-H705 WeakPolarHBondContact OD1-CB 3.44Å; D703-H705 PolarHBondContact OD1-N 3.35Å; D703-N706 HydrophobicContact CB-CB 3.93Å; D703-N706 VanDerWaalsContact CG-CB 3.45Å; D703-N706 PolarHBondContact O-N 3.26Å; D703-N706 PolarHBondContact OD1-N 2.94Å; D703-N706 WeakPolarHBondContact OD2-CB 3.31Å; D703-L707 WeakPolarHBondContact O-CB 3.39Å; D703-L707 PolarHBondContact O-N 3.22Å | ||
| 704 | L | 93.4 | Very high | 88.2 | Confident | 28 Ų | 28 | 52.7 Ų | 52.7 | 15% | 0.147 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61 | -29 | 178.2 | -66.3 | 178.9 | 0 | 0 | 0 | 112.8 | I702 R708 W728 L731 A732 | I702-L704 VanDerWaalsContact C-N 3.33Å; I702-L704 HydrophobicContact CG2-CD2 4.02Å; I702-L704 PolarHBondContact O-N 2.95Å; L704-R708 WeakPolarHBondContact O-CB 3.45Å; L704-R708 PolarHBondContact O-N 3.31Å; L704-W728 HydrophobicContact CD2-CZ3 4.44Å; L704-L731 HydrophobicContact CD1-CB 3.93Å; L704-L731 HydrophobicContact CD2-CB 4.01Å; L704-L731 HydrophobicContact CD2-CD1 4.37Å; L704-A732 VanDerWaalsContact CD1-CA 3.47Å; L704-A732 HydrophobicContact CD1-CB 3.78Å |
| 705 | H | 93.3 | Very high | 88.2 | Confident | 145 Ų | 145 | 53.2 Ų | 53.2 | 67% | 0.671 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -70.4 | -45.4 | 178 | -177.3 | 68.1 | 0 | 0 | 0 | 110.3 | D703 R708 K709 | D703-H705 PolarHBondContact O-N 3.31Å; D703-H705 WeakPolarHBondContact OD1-CA 3.43Å; D703-H705 WeakPolarHBondContact OD1-CB 3.44Å; D703-H705 PolarHBondContact OD1-N 3.35Å; H705-R708 PolarHBondContact O-N 3.06Å; H705-K709 VanDerWaalsContact O-CB 3.32Å; H705-K709 WeakPolarHBondContact O-CB 3.48Å; H705-K709 PolarHBondContact O-N 2.77Å |
| 706 | N | 93.1 | Very high | 88.2 | Confident | 34 Ų | 34 | 55.7 Ų | 55.7 | 18% | 0.182 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 175.1 | -169.9 | -79.7 | 0 | 0 | 0 | 112.1 | D703 K709 H710 G757 F758 | D703-N706 HydrophobicContact CB-CB 3.93Å; D703-N706 VanDerWaalsContact CG-CB 3.45Å; D703-N706 PolarHBondContact O-N 3.26Å; D703-N706 PolarHBondContact OD1-N 2.94Å; D703-N706 WeakPolarHBondContact OD2-CB 3.31Å; N706-K709 PolarHBondContact O-N 2.58Å; N706-H710 PolarHBondContact O-N 3.08Å; N706-H710 PolarHBondContact O-ND1 2.94Å; N706-H710 PolarHBondContact OD1-ND1 2.74Å; N706-G757 WeakPolarHBondContact OD1-CA 3.48Å; N706-F758 HydrophobicContact CB-CD2 4.5Å; N706-F758 PolarHBondContact OD1-N 3.28Å |
| 707 | L | 94.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59 | -50.9 | 175.7 | -179.6 | 56.8 | 0 | 0 | 0 | 111 | I702 D703 K709 H710 T711 W728 F758 F765 | I702-L707 HydrophobicContact CG2-CD2 4.16Å; D703-L707 WeakPolarHBondContact O-CB 3.39Å; D703-L707 PolarHBondContact O-N 3.22Å; L707-K709 VanDerWaalsContact C-N 3.31Å; L707-K709 PolarHBondContact O-N 3.4Å; L707-H710 PolarHBondContact O-N 2.73Å; L707-T711 PolarHBondContact O-N 3.22Å; L707-T711 PolarHBondContact O-OG1 2.55Å; L707-W728 HydrophobicContact CB-CH2 4.42Å; L707-W728 HydrophobicContact CB-CZ3 4.36Å; L707-W728 HydrophobicContact CD2-CH2 4.02Å; L707-W728 HydrophobicContact CD2-CZ3 3.88Å; L707-W728 HydrophobicContact CG-CH2 3.76Å; L707-W728 HydrophobicContact CG-CZ3 3.96Å; L707-F758 VanDerWaalsContact CA-CD2 3.46Å; L707-F758 HydrophobicContact CB-CD2 3.55Å; L707-F758 HydrophobicContact CB-CE2 3.61Å; L707-F758 HydrophobicContact CB-CG 4.11Å; L707-F758 HydrophobicContact CB-CZ 4.22Å; L707-F758 HydrophobicContact CD1-CB 4.24Å; L707-F758 HydrophobicContact CD1-CD1 3.52Å; L707-F758 HydrophobicContact CD1-CD2 3.94Å; L707-F758 HydrophobicContact CD1-CE1 3.72Å; L707-F758 HydrophobicContact CD1-CE2 4.13Å; L707-F758 HydrophobicContact CD1-CG 3.62Å; L707-F758 HydrophobicContact CD1-CZ 4Å; L707-F758 HydrophobicContact CD2-CZ 4.35Å; L707-F758 HydrophobicContact CG-CD2 4.29Å; L707-F758 HydrophobicContact CG-CE2 4.27Å; L707-F758 HydrophobicContact CG-CG 4.44Å; L707-F758 HydrophobicContact CG-CZ 4.4Å; L707-F765 HydrophobicContact CD1-CB 3.91Å; L707-F765 HydrophobicContact CD1-CD1 3.99Å; L707-F765 HydrophobicContact CD1-CD2 3.85Å; L707-F765 HydrophobicContact CD1-CE1 4.47Å; L707-F765 HydrophobicContact CD1-CE2 4.32Å; L707-F765 HydrophobicContact CD1-CG 3.65Å |
| 708 | R | 96.2 | Very high | 89.6 | Confident | 68 Ų | 68 | 60.7 Ų | 60.7 | 26% | 0.257 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.1 | -39.6 | 178.8 | 178.6 | 173.2 | -174.4 | 172.6 | 2.4 | 112.7 | L704 H705 H710 T711 N719 W728 | L704-R708 WeakPolarHBondContact O-CB 3.45Å; L704-R708 PolarHBondContact O-N 3.31Å; H705-R708 PolarHBondContact O-N 3.06Å; R708-H710 VanDerWaalsContact C-N 3.31Å; R708-H710 PolarHBondContact O-N 2.82Å; R708-T711 PolarHBondContact O-N 2.96Å; R708-N719 PolarHBondContact NE-OD1 3.18Å; R708-N719 PolarHBondContact NH2-O 3.21Å; R708-N719 VanDerWaalsContact NH2-O 3.1Å; R708-N719 PolarHBondContact NH2-OD1 3.13Å; R708-W728 HydrophobicContact CB-CD2 3.85Å; R708-W728 HydrophobicContact CB-CE3 4.02Å; R708-W728 HydrophobicContact CB-CH2 4.02Å; R708-W728 HydrophobicContact CB-CZ2 3.79Å; R708-W728 HydrophobicContact CB-CZ3 4.11Å; R708-W728 VanDerWaalsContact CD-CD1 3.46Å; R708-W728 HydrophobicContact CG-CD2 3.92Å; R708-W728 HydrophobicContact CG-CG 4.17Å; R708-W728 HydrophobicContact CG-CZ2 4.02Å; R708-W728 VanDerWaalsContact NE-CD1 3.32Å |
| 709 | K | 95.2 | Very high | 90.5 | Very high | 150 Ų | 150 | 61.2 Ų | 61.2 | 65% | 0.652 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.6 | -36.8 | -179.9 | -178 | -177.6 | 174.6 | -170.4 | 0 | 112.3 | H705 N706 L707 | H705-K709 VanDerWaalsContact O-CB 3.32Å; H705-K709 WeakPolarHBondContact O-CB 3.48Å; H705-K709 PolarHBondContact O-N 2.77Å; N706-K709 PolarHBondContact O-N 2.58Å; L707-K709 VanDerWaalsContact C-N 3.31Å; L707-K709 PolarHBondContact O-N 3.4Å |
| 710 | H | 94.3 | Very high | 91.7 | Very high | 46 Ų | 46 | 62.4 Ų | 62.4 | 21% | 0.213 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -101.4 | 5.1 | -177.5 | -55.5 | 104.2 | 0 | 0 | 0 | 113.5 | N706 L707 R708 F758 | N706-H710 PolarHBondContact O-N 3.08Å; N706-H710 PolarHBondContact O-ND1 2.94Å; N706-H710 PolarHBondContact OD1-ND1 2.74Å; L707-H710 PolarHBondContact O-N 2.73Å; R708-H710 VanDerWaalsContact C-N 3.31Å; R708-H710 PolarHBondContact O-N 2.82Å; H710-F758 HydrophobicContact CB-CB 4.38Å |
| 711 | T | 96 | Very high | 92.5 | Very high | 11 Ų | 11 | 61.3 Ų | 61.3 | 7% | 0.067 | 32% | 0.319 | C | S | . | . | trans | -73.6 | 129.8 | 176.3 | -65.3 | 0 | 0 | 0 | 0 | 111 | L707 R708 Y713 W728 F765 I767 | L707-T711 PolarHBondContact O-N 3.22Å; L707-T711 PolarHBondContact O-OG1 2.55Å; R708-T711 PolarHBondContact O-N 2.96Å; T711-Y713 HydrophobicContact CG2-CD1 4.25Å; T711-Y713 HydrophobicContact CG2-CE1 3.76Å; T711-Y713 HydrophobicContact CG2-CE2 4.04Å; T711-Y713 VanDerWaalsContact O-CE2 3.31Å; T711-Y713 WeakPolarHBondContact O-CE2 3.48Å; T711-W728 HydrophobicContact CG2-CZ2 4.27Å; T711-F765 CarbonylContact C-O 3.39Å; T711-F765 VanDerWaalsContact CA-O 3.3Å; T711-F765 WeakPolarHBondContact CA-O 3.44Å; T711-F765 HydrophobicContact CG2-CD1 3.86Å; T711-F765 HydrophobicContact CG2-CE1 4.36Å; T711-F765 WeakPolarHBondContact OG1-CD1 3.38Å; T711-I767 HydrophobicContact CG2-CB 4.47Å; T711-I767 HydrophobicContact CG2-CD1 3.76Å; T711-I767 HydrophobicContact CG2-CG1 3.7Å | ||
| 712 | Q | 95.5 | Very high | 93.2 | Very high | 91 Ų | 91 | 63 Ų | 63 | 43% | 0.425 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 143.5 | 170.8 | -62.3 | -173.5 | 0.4 | 0 | 0 | 110.9 | F714 P764 F765 S766 I767 | Q712-F714 HydrophobicContact CB-CE2 3.78Å; Q712-F714 HydrophobicContact CB-CZ 4.1Å; Q712-P764 HydrophobicContact CG-CB 4.23Å; Q712-P764 HydrophobicContact CG-CG 4.37Å; Q712-F765 PolarHBondContact N-O 2.91Å; Q712-S766 CarbonylContact O-C 3.53Å; Q712-S766 VanDerWaalsContact O-CA 3.31Å; Q712-S766 WeakPolarHBondContact O-CA 3.07Å; Q712-I767 PolarHBondContact O-N 2.93Å |
| 713 | Y | 95.4 | Very high | 93.5 | Very high | 42 Ų | 42 | 62.6 Ų | 62.6 | 17% | 0.165 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 137 | -176.3 | -57.5 | -87 | 0 | 0 | 0 | 111.1 | T711 F717 N719 I724 W728 I767 | T711-Y713 HydrophobicContact CG2-CD1 4.25Å; T711-Y713 HydrophobicContact CG2-CE1 3.76Å; T711-Y713 HydrophobicContact CG2-CE2 4.04Å; T711-Y713 VanDerWaalsContact O-CE2 3.31Å; T711-Y713 WeakPolarHBondContact O-CE2 3.48Å; Y713-F717 WeakPolarHBondContact CB-O 3.35Å; Y713-F717 HydrophobicContact CD1-CB 4.27Å; Y713-N719 HydrophobicContact CE2-CB 3.83Å; Y713-N719 PolarHBondContact OH-OD1 3.15Å; Y713-I724 HydrophobicContact CD1-CD1 3.92Å; Y713-I724 HydrophobicContact CD1-CG1 4.02Å; Y713-I724 HydrophobicContact CD1-CG2 4.3Å; Y713-I724 HydrophobicContact CE1-CB 4.28Å; Y713-I724 HydrophobicContact CE1-CD1 3.8Å; Y713-I724 HydrophobicContact CE1-CG1 3.89Å; Y713-I724 HydrophobicContact CE1-CG2 3.39Å; Y713-W728 PolarHBondContact OH-NE1 3.3Å; Y713-W728 VanDerWaalsContact OH-NE1 3.13Å; Y713-I767 CarbonylContact C-O 3.59Å; Y713-I767 WeakPolarHBondContact CA-O 3.11Å; Y713-I767 HydrophobicContact CD1-CB 4.15Å; Y713-I767 HydrophobicContact CE1-CB 4.47Å; Y713-I767 HydrophobicContact CE1-CD1 4.01Å |
| 714 | F | 92.1 | Very high | 93.9 | Very high | 93 Ų | 93 | 58.4 Ų | 58.4 | 41% | 0.408 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 165.7 | -177.6 | -59.3 | -80.6 | 0 | 0 | 0 | 111.6 | Q712 G716 F717 I767 R768 C769 | Q712-F714 HydrophobicContact CB-CE2 3.78Å; Q712-F714 HydrophobicContact CB-CZ 4.1Å; F714-G716 VanDerWaalsContact C-N 3.35Å; F714-G716 PolarHBondContact O-N 2.79Å; F714-F717 PolarHBondContact O-N 3.35Å; F714-I767 PolarHBondContact N-O 3.06Å; F714-R768 HydrophobicContact CB-CB 4.05Å; F714-R768 HydrophobicContact CB-CG 4.05Å; F714-R768 WeakPolarHBondContact O-CA 3.16Å; F714-C769 PolarHBondContact O-N 3.27Å |
| 715 | G | 88 | Confident | 94.1 | Very high | 42 Ų | 42 | 61.2 Ų | 61.2 | 43% | 0.433 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 27.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | F717 C769 | G715-F717 VanDerWaalsContact C-N 3.32Å; G715-F717 PolarHBondContact O-N 3.41Å; G715-C769 WeakPolarHBondContact O-CB 3.29Å |
| 716 | G | 87.4 | Confident | 94.3 | Very high | 64 Ų | 64 | 57.1 Ų | 57.1 | 66% | 0.66 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | -3.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | F714 | F714-G716 VanDerWaalsContact C-N 3.35Å; F714-G716 PolarHBondContact O-N 2.79Å |
| 717 | F | 93.5 | Very high | 94.5 | Very high | 10 Ų | 10 | 55.5 Ų | 55.5 | 4% | 0.044 | 28% | 0.277 | C | S | . | . | trans | -70.8 | 146.6 | 163.7 | -73.6 | -18.9 | 0 | 0 | 0 | 111.2 | Y713 F714 G715 H721 V723 I724 I767 C769 L813 N815 | Y713-F717 WeakPolarHBondContact CB-O 3.35Å; Y713-F717 HydrophobicContact CD1-CB 4.27Å; F714-F717 PolarHBondContact O-N 3.35Å; G715-F717 VanDerWaalsContact C-N 3.32Å; G715-F717 PolarHBondContact O-N 3.41Å; F717-H721 HydrophobicContact CD1-CB 4.43Å; F717-H721 AromaticContact CD1-CE1 3.66Å; F717-H721 AromaticContact CD1-CG 3.76Å; F717-H721 AromaticContact CD1-ND1 3.43Å; F717-H721 WeakPolarHBondContact CD1-ND1 3.43Å; F717-H721 AromaticContact CE1-CE1 3.38Å; F717-H721 WeakPolarHBondContact CE1-CE1 3.5Å; F717-H721 AromaticContact CE1-ND1 3.47Å; F717-H721 WeakPolarHBondContact CE1-ND1 3Å; F717-V723 HydrophobicContact CE1-CB 4.39Å; F717-V723 HydrophobicContact CZ-CB 4.43Å; F717-V723 HydrophobicContact CZ-CG1 4.27Å; F717-I724 HydrophobicContact CB-CD1 4.19Å; F717-I724 HydrophobicContact CB-CG1 4.07Å; F717-I724 HydrophobicContact CD1-CG1 4.41Å; F717-I724 HydrophobicContact CD2-CD1 3.72Å; F717-I724 HydrophobicContact CD2-CG1 4.32Å; F717-I724 HydrophobicContact CE2-CD1 4.21Å; F717-I724 HydrophobicContact CG-CD1 3.94Å; F717-I724 HydrophobicContact CG-CG1 4.02Å; F717-I767 HydrophobicContact CD2-CG2 3.98Å; F717-I767 HydrophobicContact CE2-CG2 4.35Å; F717-C769 HydrophobicContact CD1-CB 3.75Å; F717-C769 HydrophobicContact CD2-CB 3.58Å; F717-C769 VanDerWaalsContact CD2-N 3.29Å; F717-C769 HydrophobicContact CE1-CB 3.7Å; F717-C769 VanDerWaalsContact CE1-SG 3.53Å; F717-C769 HydrophobicContact CE2-CB 3.53Å; F717-C769 HydrophobicContact CG-CB 3.69Å; F717-C769 HydrophobicContact CZ-CB 3.6Å; F717-C769 VanDerWaalsContact CZ-SG 3.53Å; F717-L813 HydrophobicContact CE2-CB 4.01Å; F717-L813 HydrophobicContact CE2-CD2 4.26Å; F717-L813 HydrophobicContact CE2-CG 4.37Å; F717-L813 WeakPolarHBondContact CE2-O 3.46Å; F717-N815 HydrophobicContact CE1-CB 4.37Å; F717-N815 HydrophobicContact CZ-CB 4.44Å | ||
| 718 | H | 93.9 | Very high | 94.6 | Very high | 97 Ų | 97 | 56 Ų | 56 | 45% | 0.449 | 28% | 0.279 | S | S | . | . | trans | -149.4 | 163.8 | 172.3 | 60.8 | 97.9 | 0 | 0 | 0 | 107.7 | N720 H721 | H718-N720 PolarHBondContact ND1-N 2.83Å; H718-N720 PolarHBondContact O-N 2.8Å; H718-H721 PolarHBondContact CE1-N 2.66Å; H718-H721 WeakPolarHBondContact O-CB 3.44Å; H718-H721 PolarHBondContact O-N 3.18Å | ||
| 719 | N | 93.7 | Very high | 94.6 | Very high | 67 Ų | 67 | 56.3 Ų | 56.3 | 36% | 0.358 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -24 | -173 | -172.9 | 34.4 | 0 | 0 | 0 | 115.1 | R708 Y713 | R708-N719 PolarHBondContact NE-OD1 3.18Å; R708-N719 PolarHBondContact NH2-O 3.21Å; R708-N719 VanDerWaalsContact NH2-O 3.1Å; R708-N719 PolarHBondContact NH2-OD1 3.13Å; Y713-N719 HydrophobicContact CE2-CB 3.83Å; Y713-N719 PolarHBondContact OH-OD1 3.15Å |
| 720 | N | 94.4 | Very high | 94.8 | Very high | 105 Ų | 105 | 49.2 Ų | 49.2 | 56% | 0.561 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -3.5 | 179 | -71.4 | -30.3 | 0 | 0 | 0 | 114.1 | H718 K725 | H718-N720 PolarHBondContact ND1-N 2.83Å; H718-N720 PolarHBondContact O-N 2.8Å; N720-K725 WeakPolarHBondContact O-CE 3.48Å |
| 721 | H | 94.8 | Very high | 94.9 | Very high | 33 Ų | 33 | 47 Ų | 47 | 15% | 0.153 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -63 | 139.9 | 179.5 | -173 | -91.8 | 0 | 0 | 0 | 110.8 | F717 H718 V723 I724 K725 | F717-H721 HydrophobicContact CD1-CB 4.43Å; F717-H721 AromaticContact CD1-CE1 3.66Å; F717-H721 AromaticContact CD1-CG 3.76Å; F717-H721 AromaticContact CD1-ND1 3.43Å; F717-H721 WeakPolarHBondContact CD1-ND1 3.43Å; F717-H721 AromaticContact CE1-CE1 3.38Å; F717-H721 WeakPolarHBondContact CE1-CE1 3.5Å; F717-H721 AromaticContact CE1-ND1 3.47Å; F717-H721 WeakPolarHBondContact CE1-ND1 3Å; H718-H721 PolarHBondContact CE1-N 2.66Å; H718-H721 WeakPolarHBondContact O-CB 3.44Å; H718-H721 PolarHBondContact O-N 3.18Å; H721-V723 VanDerWaalsContact C-N 3.33Å; H721-V723 PolarHBondContact ND1-N 2.99Å; H721-V723 PolarHBondContact O-N 2.95Å; H721-I724 HydrophobicContact CB-CB 4.3Å; H721-I724 HydrophobicContact CB-CG1 4.04Å; H721-I724 WeakPolarHBondContact O-CB 3.35Å; H721-I724 PolarHBondContact O-N 3.39Å; H721-K725 PolarHBondContact O-N 2.73Å |
| 722 | R | 95.3 | Very high | 94.9 | Very high | 101 Ų | 101 | 48.9 Ų | 48.9 | 38% | 0.381 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -53.5 | -45.3 | -173.8 | 71.1 | -171.7 | 178 | 177.9 | 3.3 | 113.4 | I724 K725 W726 N815 | R722-I724 VanDerWaalsContact C-N 3.33Å; R722-I724 PolarHBondContact O-N 3.38Å; R722-K725 PolarHBondContact O-N 3.44Å; R722-W726 VanDerWaalsContact O-CG 3.27Å; R722-W726 PolarHBondContact O-N 2.91Å; R722-N815 PolarHBondContact NH2-OD1 2.95Å |
| 723 | V | 94.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69 | -34.9 | -178 | 178 | 0 | 0 | 0 | 0 | 110.8 | F717 H721 W726 L727 L813 N815 Y816 L822 | F717-V723 HydrophobicContact CE1-CB 4.39Å; F717-V723 HydrophobicContact CZ-CB 4.43Å; F717-V723 HydrophobicContact CZ-CG1 4.27Å; H721-V723 VanDerWaalsContact C-N 3.33Å; H721-V723 PolarHBondContact ND1-N 2.99Å; H721-V723 PolarHBondContact O-N 2.95Å; V723-W726 HydrophobicContact CG2-CE3 4.37Å; V723-W726 HydrophobicContact CG2-CZ3 4.45Å; V723-W726 PolarHBondContact O-N 3.38Å; V723-L727 WeakPolarHBondContact O-CB 3.17Å; V723-L727 PolarHBondContact O-N 3.49Å; V723-L813 HydrophobicContact CG1-CD2 3.78Å; V723-L813 HydrophobicContact CG1-CG 4.4Å; V723-N815 VanDerWaalsContact CG2-OD1 3.24Å; V723-N815 WeakPolarHBondContact CG2-OD1 3.22Å; V723-Y816 WeakPolarHBondContact CG2-O 3.24Å; V723-L822 HydrophobicContact CG1-CD2 4.12Å |
| 724 | I | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.5 | -43.6 | 176 | -63.8 | -53.6 | 0 | 0 | 0 | 110.4 | Y713 F717 H721 R722 W726 L727 W728 I767 | Y713-I724 HydrophobicContact CD1-CD1 3.92Å; Y713-I724 HydrophobicContact CD1-CG1 4.02Å; Y713-I724 HydrophobicContact CD1-CG2 4.3Å; Y713-I724 HydrophobicContact CE1-CB 4.28Å; Y713-I724 HydrophobicContact CE1-CD1 3.8Å; Y713-I724 HydrophobicContact CE1-CG1 3.89Å; Y713-I724 HydrophobicContact CE1-CG2 3.39Å; F717-I724 HydrophobicContact CB-CD1 4.19Å; F717-I724 HydrophobicContact CB-CG1 4.07Å; F717-I724 HydrophobicContact CD1-CG1 4.41Å; F717-I724 HydrophobicContact CD2-CD1 3.72Å; F717-I724 HydrophobicContact CD2-CG1 4.32Å; F717-I724 HydrophobicContact CE2-CD1 4.21Å; F717-I724 HydrophobicContact CG-CD1 3.94Å; F717-I724 HydrophobicContact CG-CG1 4.02Å; H721-I724 HydrophobicContact CB-CB 4.3Å; H721-I724 HydrophobicContact CB-CG1 4.04Å; H721-I724 WeakPolarHBondContact O-CB 3.35Å; H721-I724 PolarHBondContact O-N 3.39Å; R722-I724 VanDerWaalsContact C-N 3.33Å; R722-I724 PolarHBondContact O-N 3.38Å; I724-W726 VanDerWaalsContact C-N 3.31Å; I724-W726 PolarHBondContact O-N 2.98Å; I724-L727 WeakPolarHBondContact O-CB 3.34Å; I724-L727 PolarHBondContact O-N 3.25Å; I724-W728 PolarHBondContact O-N 2.99Å; I724-W728 VanDerWaalsContact O-N 3.11Å; I724-I767 HydrophobicContact CD1-CD1 4.27Å; I724-I767 HydrophobicContact CD1-CG2 3.89Å |
| 725 | K | 97 | Very high | 95 | Very high | 87 Ų | 87 | 47 Ų | 47 | 38% | 0.378 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57.8 | -45.7 | 173.1 | -69.6 | -176.9 | 177.1 | -178.7 | 0 | 111.4 | N720 H721 R722 W728 E729 | N720-K725 WeakPolarHBondContact O-CE 3.48Å; H721-K725 PolarHBondContact O-N 2.73Å; R722-K725 PolarHBondContact O-N 3.44Å; K725-W728 PolarHBondContact O-N 3.43Å; K725-E729 WeakPolarHBondContact O-CB 3.43Å; K725-E729 VanDerWaalsContact O-CG 3.3Å; K725-E729 WeakPolarHBondContact O-CG 3.35Å; K725-E729 PolarHBondContact O-N 3.45Å |
| 726 | W | 97.7 | Very high | 95.3 | Very high | 58 Ų | 58 | 48.6 Ų | 48.6 | 22% | 0.22 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 176.1 | -66.1 | -15.6 | 0 | 0 | 0 | 113.1 | R722 V723 I724 W728 E729 I730 Q817 K819 L822 | R722-W726 VanDerWaalsContact O-CG 3.27Å; R722-W726 PolarHBondContact O-N 2.91Å; V723-W726 HydrophobicContact CG2-CE3 4.37Å; V723-W726 HydrophobicContact CG2-CZ3 4.45Å; V723-W726 PolarHBondContact O-N 3.38Å; I724-W726 VanDerWaalsContact C-N 3.31Å; I724-W726 PolarHBondContact O-N 2.98Å; W726-W728 PolarHBondContact O-N 3.36Å; W726-E729 PolarHBondContact O-N 3.02Å; W726-I730 HydrophobicContact CB-CD1 4.48Å; W726-I730 WeakPolarHBondContact O-CB 3.5Å; W726-I730 WeakPolarHBondContact O-CD1 3.26Å; W726-I730 WeakPolarHBondContact O-CG1 3.45Å; W726-I730 PolarHBondContact O-N 3.22Å; W726-Q817 WeakPolarHBondContact CH2-O 3.21Å; W726-K819 HydrophobicContact CB-CD 4.37Å; W726-K819 HydrophobicContact CB-CG 4.04Å; W726-K819 HydrophobicContact CD2-CB 3.72Å; W726-K819 HydrophobicContact CD2-CG 4.19Å; W726-K819 HydrophobicContact CE3-CB 4.02Å; W726-K819 HydrophobicContact CG-CB 3.95Å; W726-K819 HydrophobicContact CG-CD 4.05Å; W726-K819 HydrophobicContact CG-CG 3.87Å; W726-K819 HydrophobicContact CZ2-CB 4.46Å; W726-L822 HydrophobicContact CB-CD2 3.76Å |
| 727 | L | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -54.1 | -52.8 | 176 | 173.6 | 67.5 | 0 | 0 | 0 | 110.7 | V723 I724 E729 I730 L731 F743 I767 L811 L813 L822 L826 | V723-L727 WeakPolarHBondContact O-CB 3.17Å; V723-L727 PolarHBondContact O-N 3.49Å; I724-L727 WeakPolarHBondContact O-CB 3.34Å; I724-L727 PolarHBondContact O-N 3.25Å; L727-E729 PolarHBondContact O-N 3.49Å; L727-I730 PolarHBondContact O-N 3.06Å; L727-L731 HydrophobicContact CD1-CD1 4.06Å; L727-L731 HydrophobicContact CD1-CG 4.32Å; L727-L731 HydrophobicContact CG-CD1 4.09Å; L727-L731 WeakPolarHBondContact O-CG 3.37Å; L727-L731 PolarHBondContact O-N 3.39Å; L727-F743 HydrophobicContact CD1-CE2 4.4Å; L727-I767 HydrophobicContact CD2-CD1 3.52Å; L727-L811 HydrophobicContact CD2-CD2 4Å; L727-L813 HydrophobicContact CD2-CD2 4.28Å; L727-L822 HydrophobicContact CB-CD2 4.26Å; L727-L826 HydrophobicContact CD1-CD2 3.48Å; L727-L826 VanDerWaalsContact CD1-CD2 3.48Å |
| 728 | W | 97.4 | Very high | 95.2 | Very high | 11 Ų | 11 | 51.1 Ų | 51.1 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.7 | -38.5 | -179.2 | -64.2 | 118.4 | 0 | 0 | 0 | 112.8 | L704 L707 R708 T711 Y713 I724 K725 W726 L731 A732 I767 | L704-W728 HydrophobicContact CD2-CZ3 4.44Å; L707-W728 HydrophobicContact CB-CH2 4.42Å; L707-W728 HydrophobicContact CB-CZ3 4.36Å; L707-W728 HydrophobicContact CD2-CH2 4.02Å; L707-W728 HydrophobicContact CD2-CZ3 3.88Å; L707-W728 HydrophobicContact CG-CH2 3.76Å; L707-W728 HydrophobicContact CG-CZ3 3.96Å; R708-W728 HydrophobicContact CB-CD2 3.85Å; R708-W728 HydrophobicContact CB-CE3 4.02Å; R708-W728 HydrophobicContact CB-CH2 4.02Å; R708-W728 HydrophobicContact CB-CZ2 3.79Å; R708-W728 HydrophobicContact CB-CZ3 4.11Å; R708-W728 VanDerWaalsContact CD-CD1 3.46Å; R708-W728 HydrophobicContact CG-CD2 3.92Å; R708-W728 HydrophobicContact CG-CG 4.17Å; R708-W728 HydrophobicContact CG-CZ2 4.02Å; R708-W728 VanDerWaalsContact NE-CD1 3.32Å; T711-W728 HydrophobicContact CG2-CZ2 4.27Å; Y713-W728 PolarHBondContact OH-NE1 3.3Å; Y713-W728 VanDerWaalsContact OH-NE1 3.13Å; I724-W728 PolarHBondContact O-N 2.99Å; I724-W728 VanDerWaalsContact O-N 3.11Å; K725-W728 PolarHBondContact O-N 3.43Å; W726-W728 PolarHBondContact O-N 3.36Å; W728-L731 HydrophobicContact CE3-CD1 4.03Å; W728-L731 HydrophobicContact CZ3-CD1 4.07Å; W728-A732 VanDerWaalsContact O-CB 3.28Å; W728-A732 WeakPolarHBondContact O-CB 3.4Å; W728-A732 PolarHBondContact O-N 2.88Å; W728-I767 HydrophobicContact CZ2-CD1 4.15Å |
| 729 | E | 96.8 | Very high | 95.2 | Very high | 75 Ų | 75 | 47.9 Ų | 47.9 | 35% | 0.35 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.6 | -40.3 | 174.2 | -74 | 168.2 | -160.7 | 0 | 0 | 112.2 | K725 W726 L727 A732 N733 K819 | K725-E729 WeakPolarHBondContact O-CB 3.43Å; K725-E729 VanDerWaalsContact O-CG 3.3Å; K725-E729 WeakPolarHBondContact O-CG 3.35Å; K725-E729 PolarHBondContact O-N 3.45Å; W726-E729 PolarHBondContact O-N 3.02Å; L727-E729 PolarHBondContact O-N 3.49Å; E729-A732 PolarHBondContact O-N 3.1Å; E729-N733 VanDerWaalsContact O-CB 3.28Å; E729-N733 WeakPolarHBondContact O-CB 3.31Å; E729-N733 PolarHBondContact O-N 3.06Å; E729-N733 PolarHBondContact O-ND2 3.48Å; E729-K819 IonicContact OE2-NZ 3.88Å; E729-K819 PolarHBondContact OE2-NZ 3.43Å |
| 730 | I | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.8 | -47 | 177.8 | -72.6 | 160.8 | 0 | 0 | 0 | 110.1 | W726 L727 A732 D734 F735 K819 L822 R823 | W726-I730 HydrophobicContact CB-CD1 4.48Å; W726-I730 WeakPolarHBondContact O-CB 3.5Å; W726-I730 WeakPolarHBondContact O-CD1 3.26Å; W726-I730 WeakPolarHBondContact O-CG1 3.45Å; W726-I730 PolarHBondContact O-N 3.22Å; L727-I730 PolarHBondContact O-N 3.06Å; I730-A732 VanDerWaalsContact C-N 3.26Å; I730-A732 PolarHBondContact O-N 2.77Å; I730-D734 WeakPolarHBondContact CA-OD2 3.4Å; I730-D734 HydrophobicContact CG2-CB 4.21Å; I730-D734 WeakPolarHBondContact O-CA 3.23Å; I730-D734 WeakPolarHBondContact O-CB 3.45Å; I730-D734 PolarHBondContact O-N 3.23Å; I730-F735 HydrophobicContact CG2-CD2 3.67Å; I730-F735 HydrophobicContact CG2-CE2 3.5Å; I730-F735 VanDerWaalsContact CG2-CE2 3.5Å; I730-F735 HydrophobicContact CG2-CZ 4.45Å; I730-F735 PolarHBondContact O-N 3.04Å; I730-K819 HydrophobicContact CD1-CG 4.05Å; I730-K819 HydrophobicContact CG1-CG 4.38Å; I730-L822 HydrophobicContact CD1-CB 4.16Å; I730-L822 HydrophobicContact CD1-CD2 3.75Å; I730-L822 HydrophobicContact CD1-CG 3.71Å; I730-R823 HydrophobicContact CD1-CB 3.76Å; I730-R823 HydrophobicContact CG1-CB 4.1Å; I730-R823 HydrophobicContact CG1-CG 4.45Å; I730-R823 HydrophobicContact CG2-CB 4.25Å; I730-R823 HydrophobicContact CG2-CG 3.99Å |
| 731 | L | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.3 | -35.1 | 178.2 | -68.5 | 173 | 0 | 0 | 0 | 112.4 | L704 L727 W728 F735 R740 F743 L826 | L704-L731 HydrophobicContact CD1-CB 3.93Å; L704-L731 HydrophobicContact CD2-CB 4.01Å; L704-L731 HydrophobicContact CD2-CD1 4.37Å; L727-L731 HydrophobicContact CD1-CD1 4.06Å; L727-L731 HydrophobicContact CD1-CG 4.32Å; L727-L731 HydrophobicContact CG-CD1 4.09Å; L727-L731 WeakPolarHBondContact O-CG 3.37Å; L727-L731 PolarHBondContact O-N 3.39Å; W728-L731 HydrophobicContact CE3-CD1 4.03Å; W728-L731 HydrophobicContact CZ3-CD1 4.07Å; L731-F735 HydrophobicContact CD2-CD1 3.69Å; L731-F735 HydrophobicContact CD2-CE1 3.97Å; L731-F735 HydrophobicContact CD2-CG 4.15Å; L731-R740 PolarHBondContact O-NH1 3.34Å; L731-F743 HydrophobicContact CD1-CD1 3.96Å; L731-F743 HydrophobicContact CD1-CE1 3.55Å; L731-F743 HydrophobicContact CD1-CE2 4.47Å; L731-F743 HydrophobicContact CD1-CZ 3.83Å; L731-F743 HydrophobicContact CD2-CB 4.12Å; L731-F743 HydrophobicContact CD2-CD1 3.74Å; L731-F743 HydrophobicContact CD2-CD2 4.08Å; L731-F743 HydrophobicContact CD2-CE1 4.17Å; L731-F743 HydrophobicContact CD2-CE2 4.47Å; L731-F743 HydrophobicContact CD2-CG 3.68Å; L731-L826 HydrophobicContact CD2-CD2 4.38Å |
| 732 | A | 95.7 | Very high | 94.6 | Very high | 51 Ų | 51 | 46.7 Ų | 46.7 | 42% | 0.421 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -79.6 | -41.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L704 W728 E729 I730 | L704-A732 VanDerWaalsContact CD1-CA 3.47Å; L704-A732 HydrophobicContact CD1-CB 3.78Å; W728-A732 VanDerWaalsContact O-CB 3.28Å; W728-A732 WeakPolarHBondContact O-CB 3.4Å; W728-A732 PolarHBondContact O-N 2.88Å; E729-A732 PolarHBondContact O-N 3.1Å; I730-A732 VanDerWaalsContact C-N 3.26Å; I730-A732 PolarHBondContact O-N 2.77Å |
| 733 | N | 96 | Very high | 94.5 | Very high | 126 Ų | 126 | 42 Ų | 42 | 67% | 0.674 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -108.1 | -29.7 | -168 | -58.2 | -30.6 | 0 | 0 | 0 | 113.8 | E729 | E729-N733 VanDerWaalsContact O-CB 3.28Å; E729-N733 WeakPolarHBondContact O-CB 3.31Å; E729-N733 PolarHBondContact O-N 3.06Å; E729-N733 PolarHBondContact O-ND2 3.48Å |
| 734 | D | 95.5 | Very high | 94.3 | Very high | 50 Ų | 50 | 42 Ų | 42 | 27% | 0.267 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | -28.4 | -173.6 | -64.8 | -96.4 | 0 | 0 | 0 | 112.7 | I730 R823 R827 | I730-D734 WeakPolarHBondContact CA-OD2 3.4Å; I730-D734 HydrophobicContact CG2-CB 4.21Å; I730-D734 WeakPolarHBondContact O-CA 3.23Å; I730-D734 WeakPolarHBondContact O-CB 3.45Å; I730-D734 PolarHBondContact O-N 3.23Å; D734-R823 VanDerWaalsContact OD1-CD 3.24Å; D734-R823 WeakPolarHBondContact OD1-CD 3.33Å; D734-R823 IonicContact OD1-CZ 2.68Å; D734-R823 IonicContact OD1-NE 2.78Å; D734-R823 IonicContact OD1-NH1 3.28Å; D734-R823 PolarHBondContact OD1-NH1 3.18Å; D734-R827 PolarHBondContact O-NH2 3.39Å |
| 735 | F | 95.6 | Very high | 93.7 | Very high | 9 Ų | 9 | 46.6 Ų | 46.6 | 4% | 0.039 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -89.4 | 140.3 | -178.3 | -83.2 | -140.2 | 0 | 0 | 0 | 111.9 | I730 L731 E739 R740 F743 L826 R827 | I730-F735 HydrophobicContact CG2-CD2 3.67Å; I730-F735 HydrophobicContact CG2-CE2 3.5Å; I730-F735 VanDerWaalsContact CG2-CE2 3.5Å; I730-F735 HydrophobicContact CG2-CZ 4.45Å; I730-F735 PolarHBondContact O-N 3.04Å; L731-F735 HydrophobicContact CD2-CD1 3.69Å; L731-F735 HydrophobicContact CD2-CE1 3.97Å; L731-F735 HydrophobicContact CD2-CG 4.15Å; F735-E739 VanDerWaalsContact CA-OE2 3.29Å; F735-E739 WeakPolarHBondContact CA-OE2 3.5Å; F735-E739 HydrophobicContact CB-CB 3.99Å; F735-E739 HydrophobicContact CD1-CB 3.61Å; F735-E739 HydrophobicContact CE1-CB 4.3Å; F735-E739 HydrophobicContact CG-CB 3.96Å; F735-R740 HydrophobicContact CB-CG 4.09Å; F735-R740 PolarHBondContact O-NH1 3.26Å; F735-F743 HydrophobicContact CE1-CB 4.31Å; F735-L826 HydrophobicContact CE1-CD2 4.41Å; F735-L826 HydrophobicContact CE1-CG 4.49Å; F735-L826 HydrophobicContact CZ-CB 4.43Å; F735-L826 HydrophobicContact CZ-CD2 3.91Å; F735-L826 HydrophobicContact CZ-CG 3.95Å; F735-R827 HydrophobicContact CE2-CB 4.21Å; F735-R827 HydrophobicContact CZ-CB 4.03Å |
| 736 | T | 93.5 | Very high | 93.3 | Very high | 76 Ų | 76 | 43.2 Ų | 43.2 | 47% | 0.466 | 22% | 0.223 | S | C | . | . | trans | -74.8 | 170.2 | 168.6 | 71.3 | 0 | 0 | 0 | 0 | 111.5 | D738 E739 R740 | T736-D738 VanDerWaalsContact C-N 3.26Å; T736-D738 PolarHBondContact O-N 3.25Å; T736-D738 PolarHBondContact OG1-N 3.41Å; T736-E739 PolarHBondContact N-OE2 2.6Å; T736-E739 PolarHBondContact O-N 3.28Å; T736-E739 WeakPolarHBondContact OG1-CG 3.32Å; T736-E739 PolarHBondContact OG1-N 3.36Å; T736-E739 VanDerWaalsContact OG1-N 3.15Å; T736-R740 WeakPolarHBondContact O-CB 3.44Å; T736-R740 WeakPolarHBondContact O-CG 3.33Å; T736-R740 PolarHBondContact O-N 3.26Å | ||
| 737 | A | 90.2 | Very high | 92.9 | Very high | 31 Ų | 31 | 40.4 Ų | 40.4 | 26% | 0.256 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.3 | -39.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R740 R741 | A737-R740 WeakPolarHBondContact O-CB 3.33Å; A737-R740 PolarHBondContact O-N 3.11Å; A737-R741 VanDerWaalsContact O-CG 3.32Å; A737-R741 WeakPolarHBondContact O-CG 3.49Å; A737-R741 PolarHBondContact O-N 3.48Å |
| 738 | D | 88.9 | Confident | 92.2 | Very high | 97 Ų | 97 | 40.7 Ų | 40.7 | 52% | 0.519 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -70.3 | -39.2 | 177.7 | -61.4 | -39 | 0 | 0 | 0 | 112 | T736 R740 R741 L742 | T736-D738 VanDerWaalsContact C-N 3.26Å; T736-D738 PolarHBondContact O-N 3.25Å; T736-D738 PolarHBondContact OG1-N 3.41Å; D738-R740 VanDerWaalsContact C-N 3.31Å; D738-R740 PolarHBondContact O-N 3.33Å; D738-R741 WeakPolarHBondContact O-CB 3.35Å; D738-R741 PolarHBondContact O-N 2.77Å; D738-R741 IonicContact OD1-NH1 3.19Å; D738-R741 PolarHBondContact OD1-NH1 2.81Å; D738-L742 WeakPolarHBondContact O-CG 3.48Å; D738-L742 PolarHBondContact O-N 3.09Å |
| 739 | E | 92.5 | Very high | 91.2 | Very high | 28 Ų | 28 | 41.7 Ų | 41.7 | 13% | 0.131 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.7 | -34.8 | 173.6 | -68.7 | -177.6 | 124.8 | 0 | 0 | 112.2 | F735 T736 L742 F743 R827 | F735-E739 VanDerWaalsContact CA-OE2 3.29Å; F735-E739 WeakPolarHBondContact CA-OE2 3.5Å; F735-E739 HydrophobicContact CB-CB 3.99Å; F735-E739 HydrophobicContact CD1-CB 3.61Å; F735-E739 HydrophobicContact CE1-CB 4.3Å; F735-E739 HydrophobicContact CG-CB 3.96Å; T736-E739 PolarHBondContact N-OE2 2.6Å; T736-E739 PolarHBondContact O-N 3.28Å; T736-E739 WeakPolarHBondContact OG1-CG 3.32Å; T736-E739 PolarHBondContact OG1-N 3.36Å; T736-E739 VanDerWaalsContact OG1-N 3.15Å; E739-L742 PolarHBondContact O-N 3.13Å; E739-F743 WeakPolarHBondContact O-CB 3.45Å; E739-F743 PolarHBondContact O-N 2.86Å; E739-R827 WeakPolarHBondContact OE1-CD 3.34Å; E739-R827 IonicContact OE1-CZ 3.55Å; E739-R827 VanDerWaalsContact OE1-CZ 3.28Å; E739-R827 IonicContact OE1-NE 3.98Å; E739-R827 PolarHBondContact OE1-NE 3.33Å; E739-R827 IonicContact OE1-NH2 3.37Å; E739-R827 PolarHBondContact OE1-NH2 2.81Å; E739-R827 IonicContact OE2-CZ 2.77Å; E739-R827 IonicContact OE2-NE 3.99Å; E739-R827 IonicContact OE2-NH2 2.85Å; E739-R827 PolarHBondContact OE2-NH2 3.25Å |
| 740 | R | 93.6 | Very high | 90.2 | Very high | 30 Ų | 30 | 38.9 Ų | 38.9 | 11% | 0.113 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.7 | -42.9 | 172 | -79.8 | -168.5 | -69.6 | -81 | 0.5 | 111.6 | D701 I702 L731 F735 T736 A737 D738 F743 L744 | D701-R740 IonicContact OD1-CZ 2.88Å; D701-R740 IonicContact OD1-NE 3.71Å; D701-R740 PolarHBondContact OD1-NE 2.98Å; D701-R740 IonicContact OD1-NH2 2.87Å; D701-R740 IonicContact OD2-CZ 2.73Å; D701-R740 VanDerWaalsContact OD2-CZ 3.32Å; D701-R740 IonicContact OD2-NE 3.96Å; D701-R740 PolarHBondContact OD2-NE 3.06Å; D701-R740 IonicContact OD2-NH2 3.85Å; D701-R740 PolarHBondContact OD2-NH2 2.83Å; I702-R740 HydrophobicContact CD1-CB 4.08Å; I702-R740 WeakPolarHBondContact CD1-O 3.23Å; L731-R740 PolarHBondContact O-NH1 3.34Å; F735-R740 HydrophobicContact CB-CG 4.09Å; F735-R740 PolarHBondContact O-NH1 3.26Å; T736-R740 WeakPolarHBondContact O-CB 3.44Å; T736-R740 WeakPolarHBondContact O-CG 3.33Å; T736-R740 PolarHBondContact O-N 3.26Å; A737-R740 WeakPolarHBondContact O-CB 3.33Å; A737-R740 PolarHBondContact O-N 3.11Å; D738-R740 VanDerWaalsContact C-N 3.31Å; D738-R740 PolarHBondContact O-N 3.33Å; R740-F743 WeakPolarHBondContact O-CB 3.42Å; R740-F743 PolarHBondContact O-N 3.47Å; R740-L744 PolarHBondContact O-N 2.76Å |
| 741 | R | 88.4 | Confident | 89.2 | Confident | 78 Ų | 78 | 39.8 Ų | 39.8 | 29% | 0.294 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.2 | -42.8 | 174.3 | -70.5 | 170.6 | 175.3 | 160.3 | -7.7 | 111.7 | V699 A737 D738 F743 L744 K745 S751 | V699-R741 PolarHBondContact O-NH2 3.14Å; V699-R741 VanDerWaalsContact O-NH2 3.11Å; A737-R741 VanDerWaalsContact O-CG 3.32Å; A737-R741 WeakPolarHBondContact O-CG 3.49Å; A737-R741 PolarHBondContact O-N 3.48Å; D738-R741 WeakPolarHBondContact O-CB 3.35Å; D738-R741 PolarHBondContact O-N 2.77Å; D738-R741 IonicContact OD1-NH1 3.19Å; D738-R741 PolarHBondContact OD1-NH1 2.81Å; R741-F743 VanDerWaalsContact C-N 3.34Å; R741-L744 PolarHBondContact O-N 2.98Å; R741-K745 WeakPolarHBondContact O-CB 3.14Å; R741-K745 PolarHBondContact O-N 3.22Å; R741-S751 WeakPolarHBondContact CB-O 3.3Å; R741-S751 WeakPolarHBondContact CG-O 3.38Å |
| 742 | L | 89.4 | Confident | 88.2 | Confident | 73 Ų | 73 | 40.7 Ų | 40.7 | 38% | 0.382 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.5 | -40 | 173.7 | -69.4 | 173.2 | 0 | 0 | 0 | 111.4 | D738 E739 K745 F746 V830 | D738-L742 WeakPolarHBondContact O-CG 3.48Å; D738-L742 PolarHBondContact O-N 3.09Å; E739-L742 PolarHBondContact O-N 3.13Å; L742-K745 PolarHBondContact O-N 3.01Å; L742-F746 VanDerWaalsContact O-CB 3.28Å; L742-F746 WeakPolarHBondContact O-CB 3.23Å; L742-F746 PolarHBondContact O-N 3.3Å; L742-V830 VanDerWaalsContact C-CG1 3.4Å; L742-V830 HydrophobicContact CB-CG1 3.35Å |
| 743 | F | 93.3 | Very high | 87.5 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.9 | -43.6 | 174.9 | 166.6 | -100.1 | 0 | 0 | 0 | 111.7 | L727 L731 F735 E739 R740 R741 F746 V747 F765 L811 L826 V830 | L727-F743 HydrophobicContact CD1-CE2 4.4Å; L731-F743 HydrophobicContact CD1-CD1 3.96Å; L731-F743 HydrophobicContact CD1-CE1 3.55Å; L731-F743 HydrophobicContact CD1-CE2 4.47Å; L731-F743 HydrophobicContact CD1-CZ 3.83Å; L731-F743 HydrophobicContact CD2-CB 4.12Å; L731-F743 HydrophobicContact CD2-CD1 3.74Å; L731-F743 HydrophobicContact CD2-CD2 4.08Å; L731-F743 HydrophobicContact CD2-CE1 4.17Å; L731-F743 HydrophobicContact CD2-CE2 4.47Å; L731-F743 HydrophobicContact CD2-CG 3.68Å; F735-F743 HydrophobicContact CE1-CB 4.31Å; E739-F743 WeakPolarHBondContact O-CB 3.45Å; E739-F743 PolarHBondContact O-N 2.86Å; R740-F743 WeakPolarHBondContact O-CB 3.42Å; R740-F743 PolarHBondContact O-N 3.47Å; R741-F743 VanDerWaalsContact C-N 3.34Å; F743-F746 WeakPolarHBondContact O-CB 3.05Å; F743-F746 PolarHBondContact O-N 3.32Å; F743-V747 HydrophobicContact CD2-CG2 4.41Å; F743-V747 HydrophobicContact CE2-CG2 3.95Å; F743-V747 HydrophobicContact CZ-CG2 4.1Å; F743-V747 WeakPolarHBondContact O-CG2 3.41Å; F743-V747 PolarHBondContact O-N 2.85Å; F743-V747 VanDerWaalsContact O-N 3.17Å; F743-F765 HydrophobicContact CE1-CZ 4.06Å; F743-F765 AromaticContact CZ-CZ 3.95Å; F743-F765 HydrophobicContact CZ-CZ 3.95Å; F743-L811 HydrophobicContact CE2-CD2 3.94Å; F743-L811 HydrophobicContact CZ-CD2 4.07Å; F743-L826 HydrophobicContact CD2-CD1 4.02Å; F743-L826 HydrophobicContact CD2-CD2 4.44Å; F743-L826 HydrophobicContact CD2-CG 4.49Å; F743-L826 HydrophobicContact CE2-CD1 4.01Å; F743-L826 HydrophobicContact CE2-CD2 4.49Å; F743-V830 HydrophobicContact CB-CG1 4.37Å; F743-V830 HydrophobicContact CB-CG2 4.09Å; F743-V830 HydrophobicContact CD2-CG2 4.06Å |
| 744 | L | 90 | Very high | 86.6 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.6 | -47.3 | 175.9 | -172.1 | 64.6 | 0 | 0 | 0 | 110.7 | I702 R740 R741 F746 V747 T748 C750 K752 F758 F765 | I702-L744 HydrophobicContact CD1-CB 3.49Å; I702-L744 VanDerWaalsContact CD1-CB 3.49Å; I702-L744 HydrophobicContact CD1-CD2 3.69Å; I702-L744 HydrophobicContact CD1-CG 4.13Å; I702-L744 HydrophobicContact CG1-CD2 4.23Å; R740-L744 PolarHBondContact O-N 2.76Å; R741-L744 PolarHBondContact O-N 2.98Å; L744-F746 VanDerWaalsContact C-N 3.25Å; L744-F746 PolarHBondContact O-N 3.31Å; L744-V747 CarbonylContact O-C 3.57Å; L744-V747 PolarHBondContact O-N 3.38Å; L744-T748 HydrophobicContact CD1-CG2 3.68Å; L744-T748 HydrophobicContact CG-CG2 4.37Å; L744-T748 PolarHBondContact O-N 3.03Å; L744-T748 PolarHBondContact O-OG1 2.76Å; L744-C750 CarbonylContact C-O 3.44Å; L744-C750 VanDerWaalsContact C-O 3.28Å; L744-C750 WeakPolarHBondContact CG-O 3.18Å; L744-K752 WeakPolarHBondContact CD2-O 3.19Å; L744-F758 HydrophobicContact CD1-CE1 3.84Å; L744-F758 HydrophobicContact CD1-CZ 4.23Å; L744-F758 HydrophobicContact CD2-CE1 4.22Å; L744-F758 HydrophobicContact CD2-CZ 4.19Å; L744-F765 HydrophobicContact CD1-CE2 4.38Å |
| 745 | K | 85.4 | Confident | 85.6 | Confident | 97 Ų | 97 | 31.6 Ų | 31.6 | 42% | 0.422 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -56.6 | -40.6 | 175.4 | -173.9 | 167.4 | -176.1 | 162.5 | 0 | 111.9 | D564 R741 L742 V747 S749 C750 | D564-K745 IonicContact OD2-NZ 3.11Å; R741-K745 WeakPolarHBondContact O-CB 3.14Å; R741-K745 PolarHBondContact O-N 3.22Å; L742-K745 PolarHBondContact O-N 3.01Å; K745-V747 VanDerWaalsContact C-N 3.28Å; K745-V747 PolarHBondContact O-N 2.77Å; K745-S749 WeakPolarHBondContact O-CA 3.46Å; K745-S749 PolarHBondContact O-N 2.9Å; K745-C750 VanDerWaalsContact CA-O 3.26Å; K745-C750 WeakPolarHBondContact CA-O 3.33Å; K745-C750 PolarHBondContact N-O 2.87Å |
| 746 | F | 88.4 | Confident | 84.7 | Confident | 15 Ų | 15 | 33.9 Ų | 33.9 | 7% | 0.066 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.3 | -36.9 | 176.3 | 176.4 | -101.6 | 0 | 0 | 0 | 112.2 | L742 F743 L744 P802 S804 L811 A829 V830 | L742-F746 VanDerWaalsContact O-CB 3.28Å; L742-F746 WeakPolarHBondContact O-CB 3.23Å; L742-F746 PolarHBondContact O-N 3.3Å; F743-F746 WeakPolarHBondContact O-CB 3.05Å; F743-F746 PolarHBondContact O-N 3.32Å; L744-F746 VanDerWaalsContact C-N 3.25Å; L744-F746 PolarHBondContact O-N 3.31Å; F746-P802 WeakPolarHBondContact CZ-O 3.25Å; F746-S804 WeakPolarHBondContact O-CB 3.32Å; F746-S804 PolarHBondContact O-OG 3.36Å; F746-L811 HydrophobicContact CD1-CD1 4.38Å; F746-L811 HydrophobicContact CE1-CD1 3.92Å; F746-A829 HydrophobicContact CE2-CB 4.24Å; F746-A829 HydrophobicContact CZ-CB 4.03Å; F746-V830 HydrophobicContact CB-CG2 4.13Å; F746-V830 HydrophobicContact CD1-CG2 4.21Å; F746-V830 HydrophobicContact CG-CG2 4.13Å |
| 747 | V | 89.2 | Confident | 84.2 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -93.6 | -29.8 | -177.1 | -176.5 | 0 | 0 | 0 | 0 | 113.6 | F743 L744 K745 F765 T806 N809 L811 | F743-V747 HydrophobicContact CD2-CG2 4.41Å; F743-V747 HydrophobicContact CE2-CG2 3.95Å; F743-V747 HydrophobicContact CZ-CG2 4.1Å; F743-V747 WeakPolarHBondContact O-CG2 3.41Å; F743-V747 PolarHBondContact O-N 2.85Å; F743-V747 VanDerWaalsContact O-N 3.17Å; L744-V747 CarbonylContact O-C 3.57Å; L744-V747 PolarHBondContact O-N 3.38Å; K745-V747 VanDerWaalsContact C-N 3.28Å; K745-V747 PolarHBondContact O-N 2.77Å; V747-F765 HydrophobicContact CB-CE2 3.65Å; V747-F765 HydrophobicContact CB-CZ 4.07Å; V747-F765 HydrophobicContact CG1-CD2 3.97Å; V747-F765 HydrophobicContact CG1-CE2 3.27Å; V747-F765 HydrophobicContact CG1-CZ 3.63Å; V747-F765 HydrophobicContact CG2-CE2 4.21Å; V747-F765 HydrophobicContact CG2-CZ 4.13Å; V747-T806 WeakPolarHBondContact O-CA 3.39Å; V747-N809 WeakPolarHBondContact O-CA 3.34Å; V747-L811 HydrophobicContact CG1-CB 4.05Å; V747-L811 HydrophobicContact CG2-CB 3.98Å; V747-L811 HydrophobicContact CG2-CD1 3.91Å; V747-L811 HydrophobicContact CG2-CG 4.39Å |
| 748 | T | 81.9 | Confident | 84.1 | Confident | 5 Ų | 5 | 29.8 Ų | 29.8 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -123.2 | -3.9 | -169.2 | 70.9 | 0 | 0 | 0 | 0 | 114.2 | L744 C750 L761 F765 N809 | L744-T748 HydrophobicContact CD1-CG2 3.68Å; L744-T748 HydrophobicContact CG-CG2 4.37Å; L744-T748 PolarHBondContact O-N 3.03Å; L744-T748 PolarHBondContact O-OG1 2.76Å; T748-C750 PolarHBondContact O-N 3.17Å; T748-C750 VanDerWaalsContact O-N 3.1Å; T748-C750 PolarHBondContact OG1-N 3.44Å; T748-C750 PolarHBondContact OG1-O 2.85Å; T748-L761 HydrophobicContact CG2-CD2 4.23Å; T748-F765 HydrophobicContact CG2-CD2 3.9Å; T748-F765 HydrophobicContact CG2-CE2 4.08Å; T748-N809 WeakPolarHBondContact CA-OD1 3.22Å; T748-N809 WeakPolarHBondContact CB-OD1 3.38Å; T748-N809 HydrophobicContact CG2-CB 4.13Å |
| 749 | S | 76.5 | Confident | 83.9 | Confident | 33 Ų | 33 | 31.1 Ų | 31.1 | 23% | 0.231 | 16% | 0.156 | C | C | . | . | S | Bend | trans | 67.8 | -11 | -168.2 | -149.6 | 0 | 0 | 0 | 0 | 114.8 | E511 K745 | E511-S749 WeakPolarHBondContact OE2-CB 3.33Å; E511-S749 PolarHBondContact OE2-OG 2.95Å; K745-S749 WeakPolarHBondContact O-CA 3.46Å; K745-S749 PolarHBondContact O-N 2.9Å |
| 750 | C | 75.6 | Confident | 83.3 | Confident | 15 Ų | 15 | 33.6 Ų | 33.6 | 10% | 0.101 | 17% | 0.165 | C | C | . | . | trans | -103.2 | 130.5 | 179 | -170.2 | 0 | 0 | 0 | 0 | 111 | V562 L744 K745 T748 K752 | V562-C750 WeakPolarHBondContact CG1-SG 3.24Å; L744-C750 CarbonylContact C-O 3.44Å; L744-C750 VanDerWaalsContact C-O 3.28Å; L744-C750 WeakPolarHBondContact CG-O 3.18Å; K745-C750 VanDerWaalsContact CA-O 3.26Å; K745-C750 WeakPolarHBondContact CA-O 3.33Å; K745-C750 PolarHBondContact N-O 2.87Å; T748-C750 PolarHBondContact O-N 3.17Å; T748-C750 VanDerWaalsContact O-N 3.1Å; T748-C750 PolarHBondContact OG1-N 3.44Å; T748-C750 PolarHBondContact OG1-O 2.85Å; C750-K752 PolarHBondContact O-N 3.5Å; C750-K752 PolarHBondContact SG-N 2.84Å; C750-K752 PolarHBondContact SG-O 3.09Å | ||
| 751 | S | 76.2 | Confident | 82.7 | Confident | 19 Ų | 19 | 33.6 Ų | 33.6 | 13% | 0.133 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -75.1 | -8.2 | 176.5 | 56.3 | 0 | 0 | 0 | 0 | 113.8 | D564 R741 | D564-S751 PolarHBondContact OD1-OG 3.28Å; D564-S751 PolarHBondContact OD2-OG 2.8Å; R741-S751 WeakPolarHBondContact CB-O 3.3Å; R741-S751 WeakPolarHBondContact CG-O 3.38Å |
| 752 | K | 77.6 | Confident | 82.1 | Confident | 19 Ų | 19 | 37 Ų | 37 | 8% | 0.083 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -130.3 | 151.1 | -168.9 | -68.2 | 168.6 | -164.4 | 131.4 | 0 | 113.5 | D564 S696 D698 L744 C750 | D564-K752 IonicContact OD1-NZ 3.2Å; D564-K752 PolarHBondContact OD1-NZ 3.36Å; D564-K752 VanDerWaalsContact OD1-NZ 3.11Å; S696-K752 WeakPolarHBondContact O-CD 3.43Å; S696-K752 PolarHBondContact O-NZ 3.25Å; D698-K752 WeakPolarHBondContact O-CB 3.42Å; D698-K752 WeakPolarHBondContact O-CG 3.29Å; L744-K752 WeakPolarHBondContact CD2-O 3.19Å; C750-K752 PolarHBondContact O-N 3.5Å; C750-K752 PolarHBondContact SG-N 2.84Å; C750-K752 PolarHBondContact SG-O 3.09Å |
| 753 | P | 80.3 | Confident | 81.7 | Confident | 9 Ų | 9 | 35.3 Ų | 35.3 | 6% | 0.058 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -71.2 | 150 | 177.5 | 30.2 | -34.8 | 0 | 0 | 0 | 112.1 | D698 F758 | D698-P753 HydrophobicContact CB-CG 4.2Å; D698-P753 PolarHBondContact N-O 3.46Å; P753-F758 HydrophobicContact CB-CE1 4.22Å; P753-F758 HydrophobicContact CB-CE2 3.9Å; P753-F758 HydrophobicContact CB-CZ 3.56Å |
| 754 | P | 76.5 | Confident | 81.5 | Confident | 14 Ų | 14 | 37.4 Ų | 37.4 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -61.8 | 145.5 | 170 | -20.4 | 31.8 | 0 | 0 | 0 | 112.4 | L756 G757 F758 L761 | P754-L756 PolarHBondContact O-N 3.21Å; P754-G757 PolarHBondContact O-N 3.34Å; P754-F758 VanDerWaalsContact CD-CE1 3.49Å; P754-F758 HydrophobicContact CG-CD1 4.2Å; P754-F758 HydrophobicContact CG-CE1 4.48Å; P754-L761 HydrophobicContact CG-CB 4.01Å; P754-L761 HydrophobicContact CG-CD1 3.68Å; P754-L761 HydrophobicContact CG-CG 4.4Å |
| 755 | L | 74 | Confident | 81.6 | Confident | 13 Ų | 13 | 37.5 Ų | 37.5 | 7% | 0.068 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 136.5 | 173.7 | -69.8 | -171.4 | 0 | 0 | 0 | 112 | I431 R435 L693 I694 D698 G757 | I431-L755 HydrophobicContact CD1-CD1 3.86Å; R435-L755 PolarHBondContact NH1-O 3.46Å; R435-L755 PolarHBondContact NH2-O 3.39Å; L693-L755 VanDerWaalsContact C-CD1 3.48Å; L693-L755 HydrophobicContact CB-CD1 4.06Å; L693-L755 HydrophobicContact CB-CD2 4.06Å; L693-L755 WeakPolarHBondContact O-CD1 3.16Å; L693-L755 VanDerWaalsContact O-CG 3.3Å; L693-L755 WeakPolarHBondContact O-CG 3.48Å; I694-L755 VanDerWaalsContact CA-CD1 3.5Å; I694-L755 HydrophobicContact CB-CD1 4.14Å; I694-L755 HydrophobicContact CG1-CD1 3.53Å; D698-L755 HydrophobicContact CB-CD2 4Å; L755-G757 PolarHBondContact O-N 2.9Å |
| 756 | L | 78.1 | Confident | 82 | Confident | 58 Ų | 58 | 33.4 Ų | 33.4 | 30% | 0.304 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 5 | -175.7 | -49.1 | 180 | 0 | 0 | 0 | 115.1 | K428 I431 K432 P754 Y760 | K428-L756 HydrophobicContact CB-CD2 4.02Å; K428-L756 HydrophobicContact CD-CD2 4.14Å; K428-L756 HydrophobicContact CG-CD1 4Å; K428-L756 HydrophobicContact CG-CD2 3.68Å; K428-L756 HydrophobicContact CG-CG 4.5Å; I431-L756 HydrophobicContact CB-CD1 4.03Å; I431-L756 HydrophobicContact CD1-CD2 4.42Å; I431-L756 HydrophobicContact CD1-CG 4.43Å; I431-L756 HydrophobicContact CG2-CD1 3.7Å; I431-L756 HydrophobicContact CG2-CG 4.24Å; K432-L756 HydrophobicContact CG-CD1 4.26Å; P754-L756 PolarHBondContact O-N 3.21Å; L756-Y760 HydrophobicContact CB-CD2 3.92Å; L756-Y760 HydrophobicContact CB-CE2 3.59Å; L756-Y760 HydrophobicContact CD1-CE2 4.27Å |
| 757 | G | 82.4 | Confident | 82.4 | Confident | 14 Ų | 14 | 32.7 Ų | 32.7 | 14% | 0.144 | 17% | 0.174 | C | C | . | . | trans | 107.1 | 173.4 | 174 | 0 | 0 | 0 | 0 | 0 | 114.4 | N706 P754 L755 E759 Y760 | N706-G757 WeakPolarHBondContact OD1-CA 3.48Å; P754-G757 PolarHBondContact O-N 3.34Å; L755-G757 PolarHBondContact O-N 2.9Å; G757-E759 PolarHBondContact O-N 2.9Å; G757-Y760 PolarHBondContact O-N 2.94Å | ||
| 758 | F | 87.7 | Confident | 82.7 | Confident | 7 Ų | 7 | 39.4 Ų | 39.4 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -73 | -6.9 | -172.8 | -68 | -79.6 | 0 | 0 | 0 | 114.7 | I702 N706 L707 H710 L744 P753 P754 Y760 L761 | I702-F758 HydrophobicContact CG2-CE2 3.93Å; I702-F758 HydrophobicContact CG2-CZ 3.86Å; N706-F758 HydrophobicContact CB-CD2 4.5Å; N706-F758 PolarHBondContact OD1-N 3.28Å; L707-F758 VanDerWaalsContact CA-CD2 3.46Å; L707-F758 HydrophobicContact CB-CD2 3.55Å; L707-F758 HydrophobicContact CB-CE2 3.61Å; L707-F758 HydrophobicContact CB-CG 4.11Å; L707-F758 HydrophobicContact CB-CZ 4.22Å; L707-F758 HydrophobicContact CD1-CB 4.24Å; L707-F758 HydrophobicContact CD1-CD1 3.52Å; L707-F758 HydrophobicContact CD1-CD2 3.94Å; L707-F758 HydrophobicContact CD1-CE1 3.72Å; L707-F758 HydrophobicContact CD1-CE2 4.13Å; L707-F758 HydrophobicContact CD1-CG 3.62Å; L707-F758 HydrophobicContact CD1-CZ 4Å; L707-F758 HydrophobicContact CD2-CZ 4.35Å; L707-F758 HydrophobicContact CG-CD2 4.29Å; L707-F758 HydrophobicContact CG-CE2 4.27Å; L707-F758 HydrophobicContact CG-CG 4.44Å; L707-F758 HydrophobicContact CG-CZ 4.4Å; H710-F758 HydrophobicContact CB-CB 4.38Å; L744-F758 HydrophobicContact CD1-CE1 3.84Å; L744-F758 HydrophobicContact CD1-CZ 4.23Å; L744-F758 HydrophobicContact CD2-CE1 4.22Å; L744-F758 HydrophobicContact CD2-CZ 4.19Å; P753-F758 HydrophobicContact CB-CE1 4.22Å; P753-F758 HydrophobicContact CB-CE2 3.9Å; P753-F758 HydrophobicContact CB-CZ 3.56Å; P754-F758 VanDerWaalsContact CD-CE1 3.49Å; P754-F758 HydrophobicContact CG-CD1 4.2Å; P754-F758 HydrophobicContact CG-CE1 4.48Å; F758-Y760 PolarHBondContact O-N 3.45Å; F758-L761 HydrophobicContact CD1-CD2 4.3Å; F758-L761 WeakPolarHBondContact O-CB 3.45Å; F758-L761 PolarHBondContact O-N 3.05Å; F758-L761 VanDerWaalsContact O-N 3.13Å |
| 759 | E | 85.9 | Confident | 83.1 | Confident | 125 Ų | 125 | 39.6 Ų | 39.6 | 58% | 0.584 | 20% | 0.201 | S | C | * | . | G | 310 helix | trans | -55.2 | -31.3 | 168.1 | -176.2 | -179.7 | 178.4 | 0 | 0 | 111.9 | G757 | G757-E759 PolarHBondContact O-N 2.9Š|
| 760 | Y | 78.7 | Confident | 83.4 | Confident | 79 Ų | 79 | 39.1 Ų | 39.1 | 31% | 0.31 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -97.5 | 9.7 | -178.3 | -57.4 | -78.9 | 0 | 0 | 0 | 113.5 | R435 L756 G757 F758 E762 | R435-Y760 VanDerWaalsContact NH1-CD1 3.29Å; L756-Y760 HydrophobicContact CB-CD2 3.92Å; L756-Y760 HydrophobicContact CB-CE2 3.59Å; L756-Y760 HydrophobicContact CD1-CE2 4.27Å; G757-Y760 PolarHBondContact O-N 2.94Å; F758-Y760 PolarHBondContact O-N 3.45Å; Y760-E762 PolarHBondContact O-N 3.35Å |
| 761 | L | 81.7 | Confident | 83.2 | Confident | 30 Ų | 30 | 44.4 Ų | 44.4 | 16% | 0.157 | 22% | 0.22 | C | C | . | . | trans | -77.1 | 119.1 | 173.5 | -170.4 | 70.1 | 0 | 0 | 0 | 109 | T748 P754 F758 P763 P764 F765 N809 | T748-L761 HydrophobicContact CG2-CD2 4.23Å; P754-L761 HydrophobicContact CG-CB 4.01Å; P754-L761 HydrophobicContact CG-CD1 3.68Å; P754-L761 HydrophobicContact CG-CG 4.4Å; F758-L761 HydrophobicContact CD1-CD2 4.3Å; F758-L761 WeakPolarHBondContact O-CB 3.45Å; F758-L761 PolarHBondContact O-N 3.05Å; F758-L761 VanDerWaalsContact O-N 3.13Å; L761-P763 CarbonylContact C-O 3.6Å; L761-P763 CarbonylContact O-C 3.54Å; L761-P763 VanDerWaalsContact O-C 3.27Å; L761-P764 WeakPolarHBondContact O-CA 3.4Å; L761-F765 HydrophobicContact CD2-CB 3.87Å; L761-F765 HydrophobicContact CD2-CD2 4.37Å; L761-N809 HydrophobicContact CD2-CB 4.01Å; L761-N809 WeakPolarHBondContact CG-ND2 3.32Å | ||
| 762 | E | 74.4 | Confident | 82.2 | Confident | 149 Ų | 149 | 46 Ų | 46 | 70% | 0.696 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -121.6 | 123 | 178 | -168.8 | 166.3 | -157.6 | 0 | 0 | 109.7 | Y760 | Y760-E762 PolarHBondContact O-N 3.35Š|
| 763 | P | 82.6 | Confident | 80.8 | Confident | 39 Ų | 39 | 48.5 Ų | 48.5 | 25% | 0.253 | 25% | 0.253 | S | S | . | . | S | Bend | cis | -63.8 | 161 | -8.3 | 25.5 | -32.4 | 0 | 0 | 0 | 113.3 | L761 C807 N809 | L761-P763 CarbonylContact C-O 3.6Å; L761-P763 CarbonylContact O-C 3.54Å; L761-P763 VanDerWaalsContact O-C 3.27Å; P763-C807 WeakPolarHBondContact CG-O 3.23Å; P763-N809 PolarHBondContact O-ND2 3.11Å |
| 764 | P | 87.8 | Confident | 78.8 | Confident | 45 Ų | 45 | 52.1 Ų | 52.1 | 29% | 0.292 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 144.4 | -178.3 | 25.7 | -34.6 | 0 | 0 | 0 | 111.9 | Q712 L761 S766 | Q712-P764 HydrophobicContact CG-CB 4.23Å; Q712-P764 HydrophobicContact CG-CG 4.37Å; L761-P764 WeakPolarHBondContact O-CA 3.4Å; P764-S766 PolarHBondContact O-N 3.47Å; P764-S766 PolarHBondContact O-OG 3.5Å |
| 765 | F | 92.9 | Very high | 77.3 | Confident | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.009 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 125.5 | 175.2 | -169.5 | -87.8 | 0 | 0 | 0 | 109.6 | L707 T711 Q712 F743 L744 V747 T748 L761 I767 | L707-F765 HydrophobicContact CD1-CB 3.91Å; L707-F765 HydrophobicContact CD1-CD1 3.99Å; L707-F765 HydrophobicContact CD1-CD2 3.85Å; L707-F765 HydrophobicContact CD1-CE1 4.47Å; L707-F765 HydrophobicContact CD1-CE2 4.32Å; L707-F765 HydrophobicContact CD1-CG 3.65Å; T711-F765 CarbonylContact C-O 3.39Å; T711-F765 VanDerWaalsContact CA-O 3.3Å; T711-F765 WeakPolarHBondContact CA-O 3.44Å; T711-F765 HydrophobicContact CG2-CD1 3.86Å; T711-F765 HydrophobicContact CG2-CE1 4.36Å; T711-F765 WeakPolarHBondContact OG1-CD1 3.38Å; Q712-F765 PolarHBondContact N-O 2.91Å; F743-F765 HydrophobicContact CE1-CZ 4.06Å; F743-F765 AromaticContact CZ-CZ 3.95Å; F743-F765 HydrophobicContact CZ-CZ 3.95Å; L744-F765 HydrophobicContact CD1-CE2 4.38Å; V747-F765 HydrophobicContact CB-CE2 3.65Å; V747-F765 HydrophobicContact CB-CZ 4.07Å; V747-F765 HydrophobicContact CG1-CD2 3.97Å; V747-F765 HydrophobicContact CG1-CE2 3.27Å; V747-F765 HydrophobicContact CG1-CZ 3.63Å; V747-F765 HydrophobicContact CG2-CE2 4.21Å; V747-F765 HydrophobicContact CG2-CZ 4.13Å; T748-F765 HydrophobicContact CG2-CD2 3.9Å; T748-F765 HydrophobicContact CG2-CE2 4.08Å; L761-F765 HydrophobicContact CD2-CB 3.87Å; L761-F765 HydrophobicContact CD2-CD2 4.37Å; F765-I767 HydrophobicContact CD1-CG1 4.32Å; F765-I767 HydrophobicContact CE1-CD1 4.05Å; F765-I767 HydrophobicContact CE1-CG1 3.79Å |
| 766 | S | 94.4 | Very high | 75.8 | Confident | 11 Ų | 11 | 64.1 Ų | 64.1 | 8% | 0.077 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 143 | -169.1 | -66.1 | 0 | 0 | 0 | 0 | 110.8 | Q712 P764 N809 L810 L811 | Q712-S766 CarbonylContact O-C 3.53Å; Q712-S766 VanDerWaalsContact O-CA 3.31Å; Q712-S766 WeakPolarHBondContact O-CA 3.07Å; P764-S766 PolarHBondContact O-N 3.47Å; P764-S766 PolarHBondContact O-OG 3.5Å; S766-N809 PolarHBondContact N-O 3.25Å; S766-L810 CarbonylContact O-C 3.44Å; S766-L810 WeakPolarHBondContact O-CA 3.39Å; S766-L811 PolarHBondContact O-N 3.13Å |
| 767 | I | 96.8 | Very high | 73.8 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 121.3 | 173.7 | -52.9 | 178.9 | 0 | 0 | 0 | 108.7 | T711 Q712 Y713 F714 F717 I724 L727 W728 F765 L811 L813 | T711-I767 HydrophobicContact CG2-CB 4.47Å; T711-I767 HydrophobicContact CG2-CD1 3.76Å; T711-I767 HydrophobicContact CG2-CG1 3.7Å; Q712-I767 PolarHBondContact O-N 2.93Å; Y713-I767 CarbonylContact C-O 3.59Å; Y713-I767 WeakPolarHBondContact CA-O 3.11Å; Y713-I767 HydrophobicContact CD1-CB 4.15Å; Y713-I767 HydrophobicContact CE1-CB 4.47Å; Y713-I767 HydrophobicContact CE1-CD1 4.01Å; F714-I767 PolarHBondContact N-O 3.06Å; F717-I767 HydrophobicContact CD2-CG2 3.98Å; F717-I767 HydrophobicContact CE2-CG2 4.35Å; I724-I767 HydrophobicContact CD1-CD1 4.27Å; I724-I767 HydrophobicContact CD1-CG2 3.89Å; L727-I767 HydrophobicContact CD2-CD1 3.52Å; W728-I767 HydrophobicContact CZ2-CD1 4.15Å; F765-I767 HydrophobicContact CD1-CG1 4.32Å; F765-I767 HydrophobicContact CE1-CD1 4.05Å; F765-I767 HydrophobicContact CE1-CG1 3.79Å; I767-L811 CarbonylContact C-O 3.33Å; I767-L811 WeakPolarHBondContact CA-O 3.48Å; I767-L811 HydrophobicContact CD1-CD2 4.39Å; I767-L811 HydrophobicContact CG1-CB 4.24Å; I767-L811 HydrophobicContact CG1-CD2 4.36Å; I767-L811 HydrophobicContact CG2-CB 4.46Å; I767-L811 HydrophobicContact CG2-CD2 4.3Å; I767-L813 HydrophobicContact CG2-CB 4.18Å; I767-L813 HydrophobicContact CG2-CD2 4.49Å |
| 768 | R | 94 | Very high | 71.9 | Confident | 141 Ų | 141 | 75.8 Ų | 75.8 | 53% | 0.532 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 130.2 | 176.5 | -178.7 | 173.2 | -176.7 | -179.2 | 1.9 | 110.3 | F714 V770 L810 L811 L813 | F714-R768 HydrophobicContact CB-CB 4.05Å; F714-R768 HydrophobicContact CB-CG 4.05Å; F714-R768 WeakPolarHBondContact O-CA 3.16Å; R768-V770 PolarHBondContact O-N 3.28Å; R768-L810 HydrophobicContact CB-CD1 3.8Å; R768-L811 PolarHBondContact N-O 2.97Å; R768-L813 PolarHBondContact O-N 3.19Å |
| 769 | C | 90.2 | Very high | 69.8 | Low | 10 Ų | 10 | 77.3 Ų | 77.3 | 7% | 0.068 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 122.4 | 165.7 | -172.1 | 0 | 0 | 0 | 0 | 108.8 | F714 G715 F717 L813 | F714-C769 PolarHBondContact O-N 3.27Å; G715-C769 WeakPolarHBondContact O-CB 3.29Å; F717-C769 HydrophobicContact CD1-CB 3.75Å; F717-C769 HydrophobicContact CD2-CB 3.58Å; F717-C769 VanDerWaalsContact CD2-N 3.29Å; F717-C769 HydrophobicContact CE1-CB 3.7Å; F717-C769 VanDerWaalsContact CE1-SG 3.53Å; F717-C769 HydrophobicContact CE2-CB 3.53Å; F717-C769 HydrophobicContact CG-CB 3.69Å; F717-C769 HydrophobicContact CZ-CB 3.6Å; F717-C769 VanDerWaalsContact CZ-SG 3.53Å; C769-L813 WeakPolarHBondContact CA-O 3.37Å |
| 770 | V | 84.8 | Confident | 67.9 | Low | 23 Ų | 23 | 80.1 Ų | 80.1 | 14% | 0.139 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 112.4 | 167.4 | -170.1 | 0 | 0 | 0 | 0 | 106.9 | R768 V772 R800 K812 L813 | R768-V770 PolarHBondContact O-N 3.28Å; V770-V772 PolarHBondContact O-N 3.08Å; V770-R800 VanDerWaalsContact CG1-NH1 3.31Å; V770-K812 HydrophobicContact CG2-CB 3.56Å; V770-K812 HydrophobicContact CG2-CG 4.31Å; V770-L813 PolarHBondContact N-O 3.4Å |
| 771 | E | 69.5 | Low | 66.3 | Low | 125 Ų | 125 | 80.6 Ų | 80.6 | 58% | 0.584 | 43% | 0.427 | S | S | * | . | trans | -65 | 135.9 | 171.1 | -60.7 | -150.2 | 111.6 | 0 | 0 | 108.9 | A773 K794 R800 | E771-A773 VanDerWaalsContact C-N 3.33Å; E771-A773 PolarHBondContact O-N 3.44Å; E771-K794 IonicContact OE1-NZ 2.8Å; E771-K794 PolarHBondContact OE1-NZ 2.95Å; E771-R800 PolarHBondContact O-NH1 3.42Å | ||
| 772 | V | 56 | Low | 64.5 | Low | 52 Ų | 52 | 85.8 Ų | 85.8 | 32% | 0.315 | 45% | 0.454 | S | S | . | . | trans | -65.6 | 107.3 | 159.6 | -168 | 0 | 0 | 0 | 0 | 103.2 | V770 E774 P797 | V770-V772 PolarHBondContact O-N 3.08Å; V772-E774 PolarHBondContact O-N 2.93Å; V772-P797 HydrophobicContact CG2-CB 3.65Å; V772-P797 HydrophobicContact CG2-CG 4.02Å | ||
| 773 | A | 48.8 | Very low | 63.3 | Low | 72 Ų | 72 | 80.5 Ų | 80.5 | 60% | 0.595 | 44% | 0.439 | S | S | * | . | trans | -56.8 | 99.6 | 143.5 | 0 | 0 | 0 | 0 | 0 | 103.2 | E771 D775 | E771-A773 VanDerWaalsContact C-N 3.33Å; E771-A773 PolarHBondContact O-N 3.44Å; A773-D775 PolarHBondContact O-N 3.15Å | ||
| 774 | E | 38 | Very low | 61.7 | Low | 86 Ų | 86 | 81.7 Ų | 81.7 | 40% | 0.402 | 45% | 0.448 | S | S | . | . | trans | -49 | 127.9 | 136 | -65.7 | -175.8 | 171.3 | 0 | 0 | 102.3 | V772 | V772-E774 PolarHBondContact O-N 2.93Š| ||
| 775 | D | 45 | Very low | 59.9 | Low | 69 Ų | 69 | 84.1 Ų | 84.1 | 37% | 0.369 | 46% | 0.462 | S | S | . | . | trans | 103.5 | 122.3 | 167.6 | -51.1 | -12.8 | 0 | 0 | 0 | 112.8 | A773 D777 | A773-D775 PolarHBondContact O-N 3.15Å; D775-D777 HydrophobicContact CB-CB 3.43Å; D775-D777 VanDerWaalsContact CB-CB 3.43Å | ||
| 776 | Q | 43.1 | Very low | 57.6 | Low | 210 Ų | 210 | 88.4 Ų | 88.4 | 98% | 0.981 | 48% | 0.484 | S | S | * | . | S | Bend | cis | 39.1 | -1.8 | 17.5 | -81.5 | -165.2 | 19.9 | 0 | 0 | 118.9 | ||
| 777 | D | 35.5 | Very low | 55.4 | Low | 113 Ų | 113 | 95.4 Ų | 95.4 | 60% | 0.604 | 51% | 0.509 | S | S | * | . | trans | -102.3 | 111.9 | 159.1 | -69.6 | -24.4 | 0 | 0 | 0 | 106.8 | D775 G779 | D775-D777 HydrophobicContact CB-CB 3.43Å; D775-D777 VanDerWaalsContact CB-CB 3.43Å; D777-G779 PolarHBondContact O-N 3.26Å; D777-G779 VanDerWaalsContact O-N 3.17Å | ||
| 778 | E | 41.5 | Very low | 53.1 | Low | 203 Ų | 203 | 98.8 Ų | 98.8 | 95% | 0.949 | 54% | 0.543 | S | S | * | . | trans | -63.3 | 102.8 | 158.4 | -62.2 | 174.7 | 162.5 | 0 | 0 | 107.7 | ||||
| 779 | G | 44.3 | Very low | 50.8 | Low | 39 Ų | 39 | 100.5 Ų | 100.5 | 40% | 0.402 | 56% | 0.555 | S | S | . | * | trans | 172.7 | 99.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 117 | D777 T781 | D777-G779 PolarHBondContact O-N 3.26Å; D777-G779 VanDerWaalsContact O-N 3.17Å; G779-T781 PolarHBondContact O-N 3.4Å | ||
| 780 | D | 45.8 | Very low | 48.5 | Very low | 184 Ų | 184 | 105.2 Ų | 105.2 | 98% | 0.984 | 58% | 0.579 | S | S | * | * | trans | -63.4 | 75.2 | 156.9 | -82.1 | -29 | 0 | 0 | 0 | 110.6 | ||||
| 781 | T | 44.9 | Very low | 46.6 | Very low | 90 Ų | 90 | 109.3 Ų | 109.3 | 55% | 0.552 | 62% | 0.615 | S | S | * | * | trans | -113.7 | 149.8 | 174.5 | 65.2 | 0 | 0 | 0 | 0 | 112.2 | G779 G783 S784 | G779-T781 PolarHBondContact O-N 3.4Å; T781-G783 PolarHBondContact O-N 3.39Å; T781-S784 PolarHBondContact O-N 3.15Å | ||
| 782 | L | 45.3 | Very low | 45.2 | Very low | 139 Ų | 139 | 109.5 Ų | 109.5 | 73% | 0.728 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -49.2 | -24.7 | 178.6 | -161 | 76.6 | 0 | 0 | 0 | 113.2 | V785 I786 | L782-V785 PolarHBondContact O-N 2.99Å; L782-I786 HydrophobicContact CD2-CD1 4.41Å; L782-I786 HydrophobicContact CG-CD1 4.22Å; L782-I786 WeakPolarHBondContact O-CG1 3.46Å; L782-I786 PolarHBondContact O-N 3.32Å |
| 783 | G | 48.1 | Very low | 44.7 | Very low | 37 Ų | 37 | 118.2 Ų | 118.2 | 38% | 0.381 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -64.8 | -33.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | T781 V785 I786 R787 | T781-G783 PolarHBondContact O-N 3.39Å; G783-V785 VanDerWaalsContact C-N 3.35Å; G783-I786 PolarHBondContact O-N 2.95Å; G783-R787 WeakPolarHBondContact O-CB 3.38Å; G783-R787 PolarHBondContact O-N 3.17Å |
| 784 | S | 49.1 | Very low | 44.8 | Very low | 65 Ų | 65 | 119.5 Ų | 119.5 | 46% | 0.455 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -68.8 | -34.6 | 178.8 | -59 | 0 | 0 | 0 | 0 | 111.9 | T781 G788 | T781-S784 PolarHBondContact O-N 3.15Å; S784-G788 PolarHBondContact O-N 3.26Å |
| 785 | V | 50.2 | Low | 45.9 | Very low | 96 Ų | 96 | 126 Ų | 126 | 58% | 0.582 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -69.7 | -43.3 | 174.1 | -173.8 | 0 | 0 | 0 | 0 | 110.5 | L782 G783 G788 F789 | L782-V785 PolarHBondContact O-N 2.99Å; G783-V785 VanDerWaalsContact C-N 3.35Å; V785-G788 PolarHBondContact O-N 3.42Å; V785-F789 WeakPolarHBondContact O-CD2 3.21Å |
| 786 | I | 44.8 | Very low | 46.7 | Very low | 92 Ų | 92 | 124.5 Ų | 124.5 | 47% | 0.472 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -71.4 | -36.8 | -177.5 | -62.7 | 167.1 | 0 | 0 | 0 | 111.9 | L782 G783 G788 F789 L790 | L782-I786 HydrophobicContact CD2-CD1 4.41Å; L782-I786 HydrophobicContact CG-CD1 4.22Å; L782-I786 WeakPolarHBondContact O-CG1 3.46Å; L782-I786 PolarHBondContact O-N 3.32Å; G783-I786 PolarHBondContact O-N 2.95Å; I786-G788 VanDerWaalsContact C-N 3.33Å; I786-G788 PolarHBondContact O-N 3.49Å; I786-F789 PolarHBondContact O-N 3.05Å; I786-L790 HydrophobicContact CG2-CD1 4.34Å; I786-L790 PolarHBondContact O-N 3.3Å |
| 787 | R | 47.1 | Very low | 47.9 | Very low | 158 Ų | 158 | 115.2 Ų | 115.2 | 60% | 0.596 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.8 | -30.8 | 174.7 | -84 | -172.9 | -177.8 | 168.8 | 5.3 | 113.1 | G783 F789 L790 | G783-R787 WeakPolarHBondContact O-CB 3.38Å; G783-R787 PolarHBondContact O-N 3.17Å; R787-F789 PolarHBondContact O-N 2.94Å; R787-L790 CarbonylContact O-C 3.58Å; R787-L790 PolarHBondContact O-N 3.07Å; R787-L790 VanDerWaalsContact O-O 3.08Å |
| 788 | G | 48.3 | Very low | 49.5 | Very low | 70 Ų | 70 | 113.5 Ų | 113.5 | 72% | 0.722 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -59.3 | -31.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S784 V785 I786 | S784-G788 PolarHBondContact O-N 3.26Å; V785-G788 PolarHBondContact O-N 3.42Å; I786-G788 VanDerWaalsContact C-N 3.33Å; I786-G788 PolarHBondContact O-N 3.49Å |
| 789 | F | 47.3 | Very low | 51.1 | Low | 178 Ų | 178 | 107.4 Ų | 107.4 | 78% | 0.781 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -84.1 | -27.1 | 178.3 | -82.3 | -83.8 | 0 | 0 | 0 | 114.2 | V785 I786 R787 | V785-F789 WeakPolarHBondContact O-CD2 3.21Å; I786-F789 PolarHBondContact O-N 3.05Å; R787-F789 PolarHBondContact O-N 2.94Å |
| 790 | L | 40.5 | Very low | 52.9 | Low | 109 Ų | 109 | 111 Ų | 111 | 57% | 0.571 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -111.7 | 99.8 | -176.8 | -69.5 | 168.3 | 0 | 0 | 0 | 110 | I786 R787 I792 | I786-L790 HydrophobicContact CG2-CD1 4.34Å; I786-L790 PolarHBondContact O-N 3.3Å; R787-L790 CarbonylContact O-C 3.58Å; R787-L790 PolarHBondContact O-N 3.07Å; R787-L790 VanDerWaalsContact O-O 3.08Å; L790-I792 PolarHBondContact O-N 3.31Å |
| 791 | A | 45.6 | Very low | 55 | Low | 109 Ų | 109 | 104.3 Ų | 104.3 | 90% | 0.901 | 56% | 0.56 | S | S | * | * | trans | -61 | 62.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | R793 | A791-R793 PolarHBondContact O-N 3.47Š| ||
| 792 | I | 40.1 | Very low | 57.2 | Low | 128 Ų | 128 | 100.2 Ų | 100.2 | 66% | 0.656 | 53% | 0.534 | S | S | * | . | trans | -83.2 | 102.7 | 178.4 | -60.9 | 172.3 | 0 | 0 | 0 | 108.8 | L790 K794 | L790-I792 PolarHBondContact O-N 3.31Å; I792-K794 PolarHBondContact O-N 3.37Å | ||
| 793 | R | 44.5 | Very low | 59.3 | Low | 236 Ų | 236 | 94.8 Ų | 94.8 | 89% | 0.891 | 51% | 0.507 | S | S | * | . | trans | 32.7 | 67.4 | 159.3 | -65.4 | -174.7 | 175.8 | -174 | -0.3 | 117.7 | A791 R795 | A791-R793 PolarHBondContact O-N 3.47Å; R793-R795 PolarHBondContact O-N 3.19Å | ||
| 794 | K | 52.5 | Low | 61.2 | Low | 99 Ų | 99 | 93.3 Ų | 93.3 | 43% | 0.43 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 122.3 | 167.2 | -71.9 | -174.7 | 174.1 | -177.1 | 0 | 111.1 | E771 I792 | E771-K794 IonicContact OE1-NZ 2.8Å; E771-K794 PolarHBondContact OE1-NZ 2.95Å; I792-K794 PolarHBondContact O-N 3.37Å |
| 795 | R | 61 | Low | 62.8 | Low | 223 Ų | 223 | 91.5 Ų | 91.5 | 84% | 0.842 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 146.1 | 172.1 | -140.8 | 173.6 | -174.9 | 176.3 | 0.6 | 109.8 | R793 P797 | R793-R795 PolarHBondContact O-N 3.19Å; R795-P797 WeakPolarHBondContact O-CD 3.48Å |
| 796 | D | 61.7 | Low | 64.1 | Low | 37 Ų | 37 | 87.4 Ų | 87.4 | 20% | 0.198 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 122.7 | 177.2 | -164.7 | 11.5 | 0 | 0 | 0 | 109.2 | V798 Q817 | D796-V798 HydrophobicContact CB-CG2 3.9Å; D796-V798 WeakPolarHBondContact O-CG2 3.07Å; D796-V798 PolarHBondContact O-N 3.4Å; D796-Q817 HydrophobicContact CB-CB 4Å; D796-Q817 HydrophobicContact CB-CG 3.78Å; D796-Q817 PolarHBondContact OD1-N 3.34Å |
| 797 | P | 67.7 | Low | 65.4 | Low | 14 Ų | 14 | 83.5 Ų | 83.5 | 9% | 0.091 | 44% | 0.435 | C | S | . | . | trans | -74.3 | 56.3 | -178.5 | 29.4 | -35.6 | 0 | 0 | 0 | 112.6 | V772 R795 G799 R800 P814 Y816 | V772-P797 HydrophobicContact CG2-CB 3.65Å; V772-P797 HydrophobicContact CG2-CG 4.02Å; R795-P797 WeakPolarHBondContact O-CD 3.48Å; P797-G799 PolarHBondContact O-N 2.74Å; P797-G799 VanDerWaalsContact O-N 3.13Å; P797-R800 HydrophobicContact CB-CB 4.47Å; P797-R800 PolarHBondContact O-N 2.89Å; P797-R800 VanDerWaalsContact O-N 3.15Å; P797-P814 HydrophobicContact CB-CB 4.3Å; P797-P814 HydrophobicContact CG-CB 3.89Å; P797-Y816 HydrophobicContact CG-CD1 3.97Å; P797-Y816 HydrophobicContact CG-CE1 4.32Å; P797-Y816 WeakPolarHBondContact O-CE1 3.34Å | ||
| 798 | V | 69.3 | Low | 67 | Low | 77 Ų | 77 | 79.5 Ų | 79.5 | 47% | 0.467 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -27.8 | -174.9 | -170 | 0 | 0 | 0 | 0 | 112.2 | D796 K825 | D796-V798 HydrophobicContact CB-CG2 3.9Å; D796-V798 WeakPolarHBondContact O-CG2 3.07Å; D796-V798 PolarHBondContact O-N 3.4Å; V798-K825 WeakPolarHBondContact O-CE 3.23Å; V798-K825 PolarHBondContact O-NZ 2.72Å; V798-K825 VanDerWaalsContact O-NZ 3.12Å |
| 799 | G | 75.9 | Confident | 68.9 | Low | 76 Ų | 76 | 76.1 Ų | 76.1 | 78% | 0.784 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -22.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | P797 | P797-G799 PolarHBondContact O-N 2.74Å; P797-G799 VanDerWaalsContact O-N 3.13Å |
| 800 | R | 82 | Confident | 70.9 | Confident | 115 Ų | 115 | 68.7 Ų | 68.7 | 43% | 0.434 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -91.3 | 126.2 | -174 | -161.8 | 168.3 | -168.5 | 164.2 | 5.8 | 110.3 | V770 E771 P797 P814 Y816 | V770-R800 VanDerWaalsContact CG1-NH1 3.31Å; E771-R800 PolarHBondContact O-NH1 3.42Å; P797-R800 HydrophobicContact CB-CB 4.47Å; P797-R800 PolarHBondContact O-N 2.89Å; P797-R800 VanDerWaalsContact O-N 3.15Å; R800-P814 HydrophobicContact CB-CG 4.12Å; R800-P814 HydrophobicContact CG-CG 4.03Å; R800-Y816 PolarHBondContact O-OH 3.2Å |
| 801 | L | 88.5 | Confident | 73.5 | Confident | 43 Ų | 43 | 63.5 Ų | 63.5 | 23% | 0.225 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -82.5 | 152.1 | 173.5 | -71 | 170.1 | 0 | 0 | 0 | 110.8 | K825 Y828 | L801-K825 HydrophobicContact CD2-CB 4.22Å; L801-K825 HydrophobicContact CD2-CD 3.62Å; L801-Y828 HydrophobicContact CD1-CD1 3.88Å; L801-Y828 HydrophobicContact CD1-CE1 3.77Å; L801-Y828 HydrophobicContact CD2-CD1 3.67Å; L801-Y828 HydrophobicContact CD2-CE1 4.33Å; L801-Y828 HydrophobicContact CG-CD1 4.47Å |
| 802 | P | 90.9 | Very high | 75.8 | Confident | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.019 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 138.1 | 162.9 | -18.4 | 33.8 | 0 | 0 | 0 | 109.2 | F746 L811 K812 L813 Y816 L826 A829 | F746-P802 WeakPolarHBondContact CZ-O 3.25Å; P802-L811 HydrophobicContact CB-CD1 4.4Å; P802-K812 WeakPolarHBondContact CA-O 3.38Å; P802-L813 HydrophobicContact CB-CD1 4.03Å; P802-L813 HydrophobicContact CG-CD1 3.99Å; P802-Y816 VanDerWaalsContact CD-OH 3.27Å; P802-Y816 WeakPolarHBondContact CD-OH 2.98Å; P802-Y816 HydrophobicContact CG-CE2 4.34Å; P802-L826 HydrophobicContact CB-CD1 4.38Å; P802-L826 HydrophobicContact CG-CD1 4.3Å; P802-A829 HydrophobicContact CB-CB 4.5Å |
| 803 | T | 90.1 | Very high | 78.3 | Confident | 25 Ų | 25 | 54.7 Ų | 54.7 | 15% | 0.153 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 169.7 | 173.4 | 56.9 | 0 | 0 | 0 | 0 | 109.4 | K812 | T803-K812 PolarHBondContact N-O 3.45Å; T803-K812 WeakPolarHBondContact O-CA 3.45Å; T803-K812 WeakPolarHBondContact O-CB 3.4Å; T803-K812 PolarHBondContact O-N 2.95Å; T803-K812 WeakPolarHBondContact OG1-CB 3.44Å |
| 804 | S | 87.2 | Confident | 80.6 | Confident | 7 Ų | 7 | 43.5 Ų | 43.5 | 5% | 0.049 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 165.1 | 178.6 | 58.6 | 0 | 0 | 0 | 0 | 111.5 | F746 L810 | F746-S804 WeakPolarHBondContact O-CB 3.32Å; F746-S804 PolarHBondContact O-OG 3.36Å; S804-L810 CarbonylContact C-O 3.55Å; S804-L810 WeakPolarHBondContact CA-O 3.45Å |
| 805 | S | 83.9 | Confident | 82.3 | Confident | 27 Ų | 27 | 40.2 Ų | 40.2 | 19% | 0.189 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 91.5 | 163.5 | -57.9 | 0 | 0 | 0 | 0 | 106.3 | C807 F808 N809 L810 K812 | S805-C807 PolarHBondContact O-N 2.87Å; S805-F808 CarbonylContact O-C 3.45Å; S805-F808 PolarHBondContact O-N 2.98Å; S805-N809 PolarHBondContact O-N 2.94Å; S805-L810 PolarHBondContact N-O 3.26Å; S805-L810 PolarHBondContact O-N 3.06Å; S805-L810 VanDerWaalsContact O-N 3.1Å; S805-K812 WeakPolarHBondContact OG-CE 2.93Å; S805-K812 PolarHBondContact OG-NZ 3.06Å; S805-K812 VanDerWaalsContact OG-NZ 3.11Å |
| 806 | T | 76.5 | Confident | 83.7 | Confident | 9 Ų | 9 | 29.6 Ų | 29.6 | 6% | 0.055 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -58.8 | -35.5 | -173.1 | 51 | 0 | 0 | 0 | 0 | 112.8 | K507 V747 F808 N809 F836 | K507-T806 PolarHBondContact NZ-O 3.39Å; V747-T806 WeakPolarHBondContact O-CA 3.39Å; T806-F808 PolarHBondContact O-N 3.46Å; T806-N809 PolarHBondContact O-N 2.68Å; T806-N809 PolarHBondContact O-OD1 2.87Å; T806-F836 HydrophobicContact CG2-CZ 4.47Å |
| 807 | C | 72.4 | Confident | 85 | Confident | 11 Ų | 11 | 30.8 Ų | 30.8 | 7% | 0.074 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -43.8 | -43.9 | 166.7 | -75 | 0 | 0 | 0 | 0 | 113.7 | G504 E508 P763 S805 | G504-C807 VanDerWaalsContact C-SG 3.57Å; G504-C807 PolarHBondContact O-SG 3.49Å; E508-C807 WeakPolarHBondContact CB-SG 3.3Å; E508-C807 PolarHBondContact OE2-SG 3.11Å; P763-C807 WeakPolarHBondContact CG-O 3.23Å; S805-C807 PolarHBondContact O-N 2.87Å |
| 808 | F | 81.6 | Confident | 86.1 | Confident | 73 Ų | 73 | 36.7 Ų | 36.7 | 32% | 0.32 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -103.9 | 6.4 | -175 | -61.5 | -73.7 | 0 | 0 | 0 | 112.9 | Q502 S805 T806 L810 | Q502-F808 HydrophobicContact CB-CE1 4.35Å; Q502-F808 WeakPolarHBondContact O-CE1 3.26Å; S805-F808 CarbonylContact O-C 3.45Å; S805-F808 PolarHBondContact O-N 2.98Å; T806-F808 PolarHBondContact O-N 3.46Å; F808-L810 HydrophobicContact CB-CB 3.89Å; F808-L810 PolarHBondContact O-N 3.46Å; F808-L810 VanDerWaalsContact O-N 3.15Å |
| 809 | N | 86.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 39.5 | -170.2 | -61 | -39.4 | 0 | 0 | 0 | 111.6 | K507 V747 T748 L761 P763 S766 S805 T806 | K507-N809 PolarHBondContact NZ-OD1 3.29Å; V747-N809 WeakPolarHBondContact O-CA 3.34Å; T748-N809 WeakPolarHBondContact CA-OD1 3.22Å; T748-N809 WeakPolarHBondContact CB-OD1 3.38Å; T748-N809 HydrophobicContact CG2-CB 4.13Å; L761-N809 HydrophobicContact CD2-CB 4.01Å; L761-N809 WeakPolarHBondContact CG-ND2 3.32Å; P763-N809 PolarHBondContact O-ND2 3.11Å; S766-N809 PolarHBondContact N-O 3.25Å; S805-N809 PolarHBondContact O-N 2.94Å; T806-N809 PolarHBondContact O-N 2.68Å; T806-N809 PolarHBondContact O-OD1 2.87Å |
| 810 | L | 91.1 | Very high | 88.1 | Confident | 22 Ų | 22 | 35.1 Ų | 35.1 | 12% | 0.115 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 118.3 | -167.8 | 175.1 | 64.3 | 0 | 0 | 0 | 111.4 | S766 R768 S804 S805 F808 K812 | S766-L810 CarbonylContact O-C 3.44Å; S766-L810 WeakPolarHBondContact O-CA 3.39Å; R768-L810 HydrophobicContact CB-CD1 3.8Å; S804-L810 CarbonylContact C-O 3.55Å; S804-L810 WeakPolarHBondContact CA-O 3.45Å; S805-L810 PolarHBondContact N-O 3.26Å; S805-L810 PolarHBondContact O-N 3.06Å; S805-L810 VanDerWaalsContact O-N 3.1Å; F808-L810 HydrophobicContact CB-CB 3.89Å; F808-L810 PolarHBondContact O-N 3.46Å; F808-L810 VanDerWaalsContact O-N 3.15Å; L810-K812 HydrophobicContact CD2-CG 4.39Å; L810-K812 HydrophobicContact CG-CG 4.4Å |
| 811 | L | 94.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 119.1 | 167.4 | 178.9 | 66.9 | 0 | 0 | 0 | 110.1 | L727 F743 F746 V747 S766 I767 R768 P802 L813 | L727-L811 HydrophobicContact CD2-CD2 4Å; F743-L811 HydrophobicContact CE2-CD2 3.94Å; F743-L811 HydrophobicContact CZ-CD2 4.07Å; F746-L811 HydrophobicContact CD1-CD1 4.38Å; F746-L811 HydrophobicContact CE1-CD1 3.92Å; V747-L811 HydrophobicContact CG1-CB 4.05Å; V747-L811 HydrophobicContact CG2-CB 3.98Å; V747-L811 HydrophobicContact CG2-CD1 3.91Å; V747-L811 HydrophobicContact CG2-CG 4.39Å; S766-L811 PolarHBondContact O-N 3.13Å; I767-L811 CarbonylContact C-O 3.33Å; I767-L811 WeakPolarHBondContact CA-O 3.48Å; I767-L811 HydrophobicContact CD1-CD2 4.39Å; I767-L811 HydrophobicContact CG1-CB 4.24Å; I767-L811 HydrophobicContact CG1-CD2 4.36Å; I767-L811 HydrophobicContact CG2-CB 4.46Å; I767-L811 HydrophobicContact CG2-CD2 4.3Å; R768-L811 PolarHBondContact N-O 2.97Å; P802-L811 HydrophobicContact CB-CD1 4.4Å; L811-L813 HydrophobicContact CD2-CB 4.44Å; L811-L813 HydrophobicContact CG-CB 4.27Å |
| 812 | K | 93.5 | Very high | 88.9 | Confident | 52 Ų | 52 | 28.4 Ų | 28.4 | 23% | 0.226 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 103.5 | 172.7 | -68.9 | 176.2 | -175.7 | 168.4 | 0 | 108.3 | V770 P802 T803 S805 L810 | V770-K812 HydrophobicContact CG2-CB 3.56Å; V770-K812 HydrophobicContact CG2-CG 4.31Å; P802-K812 WeakPolarHBondContact CA-O 3.38Å; T803-K812 PolarHBondContact N-O 3.45Å; T803-K812 WeakPolarHBondContact O-CA 3.45Å; T803-K812 WeakPolarHBondContact O-CB 3.4Å; T803-K812 PolarHBondContact O-N 2.95Å; T803-K812 WeakPolarHBondContact OG1-CB 3.44Å; S805-K812 WeakPolarHBondContact OG-CE 2.93Å; S805-K812 PolarHBondContact OG-NZ 3.06Å; S805-K812 VanDerWaalsContact OG-NZ 3.11Å; L810-K812 HydrophobicContact CD2-CG 4.39Å; L810-K812 HydrophobicContact CG-CG 4.4Å |
| 813 | L | 92.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 121.9 | -170.9 | -173.7 | 70 | 0 | 0 | 0 | 111.9 | F717 V723 L727 I767 R768 C769 V770 P802 L811 Y816 L822 | F717-L813 HydrophobicContact CE2-CB 4.01Å; F717-L813 HydrophobicContact CE2-CD2 4.26Å; F717-L813 HydrophobicContact CE2-CG 4.37Å; F717-L813 WeakPolarHBondContact CE2-O 3.46Å; V723-L813 HydrophobicContact CG1-CD2 3.78Å; V723-L813 HydrophobicContact CG1-CG 4.4Å; L727-L813 HydrophobicContact CD2-CD2 4.28Å; I767-L813 HydrophobicContact CG2-CB 4.18Å; I767-L813 HydrophobicContact CG2-CD2 4.49Å; R768-L813 PolarHBondContact O-N 3.19Å; C769-L813 WeakPolarHBondContact CA-O 3.37Å; V770-L813 PolarHBondContact N-O 3.4Å; P802-L813 HydrophobicContact CB-CD1 4.03Å; P802-L813 HydrophobicContact CG-CD1 3.99Å; L811-L813 HydrophobicContact CD2-CB 4.44Å; L811-L813 HydrophobicContact CG-CB 4.27Å; L813-Y816 HydrophobicContact CD1-CE2 4.18Å; L813-L822 HydrophobicContact CD1-CD1 3.65Å; L813-L822 HydrophobicContact CD2-CD1 4.32Å; L813-L822 HydrophobicContact CG-CD1 4.43Å |
| 814 | P | 91.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 148.2 | 171.6 | -23.6 | 35 | 0 | 0 | 0 | 112.7 | P797 R800 Y816 | P797-P814 HydrophobicContact CB-CB 4.3Å; P797-P814 HydrophobicContact CG-CB 3.89Å; R800-P814 HydrophobicContact CB-CG 4.12Å; R800-P814 HydrophobicContact CG-CG 4.03Å; P814-Y816 VanDerWaalsContact C-N 3.27Å; P814-Y816 HydrophobicContact CB-CD2 4.46Å; P814-Y816 HydrophobicContact CB-CE1 4.1Å; P814-Y816 HydrophobicContact CB-CE2 4.06Å; P814-Y816 HydrophobicContact CG-CE1 4.44Å; P814-Y816 HydrophobicContact CG-CE2 4.22Å; P814-Y816 WeakPolarHBondContact O-CD2 3.41Å; P814-Y816 PolarHBondContact O-N 3.48Å |
| 815 | N | 89.2 | Confident | 89.5 | Confident | 31 Ų | 31 | 40.3 Ų | 40.3 | 17% | 0.166 | 20% | 0.195 | C | C | . | . | trans | -79.2 | 71.9 | 174.7 | -171.3 | -0.4 | 0 | 0 | 0 | 111.4 | F717 R722 V723 | F717-N815 HydrophobicContact CE1-CB 4.37Å; F717-N815 HydrophobicContact CZ-CB 4.44Å; R722-N815 PolarHBondContact NH2-OD1 2.95Å; V723-N815 VanDerWaalsContact CG2-OD1 3.24Å; V723-N815 WeakPolarHBondContact CG2-OD1 3.22Å | ||
| 816 | Y | 90.6 | Very high | 90 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -58.8 | 144.2 | 177.3 | -61 | -69.8 | 0 | 0 | 0 | 112.3 | V723 P797 R800 P802 L813 P814 T821 L822 K825 | V723-Y816 WeakPolarHBondContact CG2-O 3.24Å; P797-Y816 HydrophobicContact CG-CD1 3.97Å; P797-Y816 HydrophobicContact CG-CE1 4.32Å; P797-Y816 WeakPolarHBondContact O-CE1 3.34Å; R800-Y816 PolarHBondContact O-OH 3.2Å; P802-Y816 VanDerWaalsContact CD-OH 3.27Å; P802-Y816 WeakPolarHBondContact CD-OH 2.98Å; P802-Y816 HydrophobicContact CG-CE2 4.34Å; L813-Y816 HydrophobicContact CD1-CE2 4.18Å; P814-Y816 VanDerWaalsContact C-N 3.27Å; P814-Y816 HydrophobicContact CB-CD2 4.46Å; P814-Y816 HydrophobicContact CB-CE1 4.1Å; P814-Y816 HydrophobicContact CB-CE2 4.06Å; P814-Y816 HydrophobicContact CG-CE1 4.44Å; P814-Y816 HydrophobicContact CG-CE2 4.22Å; P814-Y816 WeakPolarHBondContact O-CD2 3.41Å; P814-Y816 PolarHBondContact O-N 3.48Å; Y816-T821 HydrophobicContact CD1-CG2 3.66Å; Y816-T821 HydrophobicContact CE1-CG2 4.05Å; Y816-T821 HydrophobicContact CG-CG2 4.36Å; Y816-L822 HydrophobicContact CD2-CB 3.87Å; Y816-L822 HydrophobicContact CD2-CD1 3.76Å; Y816-L822 HydrophobicContact CD2-CG 4.4Å; Y816-L822 HydrophobicContact CE2-CD1 3.9Å; Y816-L822 HydrophobicContact CG-CB 4.41Å; Y816-K825 HydrophobicContact CE1-CG 4.35Å | ||
| 817 | Q | 88.7 | Confident | 90.8 | Very high | 62 Ų | 62 | 42.5 Ų | 42.5 | 29% | 0.29 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -86.9 | -18.8 | -179.9 | -56.3 | -63.8 | -23.2 | 0 | 0 | 112.7 | W726 D796 | W726-Q817 WeakPolarHBondContact CH2-O 3.21Å; D796-Q817 HydrophobicContact CB-CB 4Å; D796-Q817 HydrophobicContact CB-CG 3.78Å; D796-Q817 PolarHBondContact OD1-N 3.34Å |
| 818 | K | 91.5 | Very high | 91.8 | Very high | 138 Ų | 138 | 48.4 Ų | 48.4 | 60% | 0.6 | 22% | 0.22 | S | C | * | . | trans | -125.8 | 137.6 | -179.9 | -61.4 | 179 | -178.8 | 177.9 | 0 | 111.9 | A820 T821 L822 | K818-A820 VanDerWaalsContact C-N 3.3Å; K818-A820 PolarHBondContact O-N 3.05Å; K818-T821 PolarHBondContact O-N 3.07Å; K818-L822 PolarHBondContact O-N 3.27Å | ||
| 819 | K | 93.8 | Very high | 92.2 | Very high | 66 Ų | 66 | 45 Ų | 45 | 29% | 0.287 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -58.2 | -39.7 | 174.9 | -176.5 | 173.6 | 179.3 | 179.4 | 0 | 112.6 | W726 E729 I730 T821 L822 R823 | W726-K819 HydrophobicContact CB-CD 4.37Å; W726-K819 HydrophobicContact CB-CG 4.04Å; W726-K819 HydrophobicContact CD2-CB 3.72Å; W726-K819 HydrophobicContact CD2-CG 4.19Å; W726-K819 HydrophobicContact CE3-CB 4.02Å; W726-K819 HydrophobicContact CG-CB 3.95Å; W726-K819 HydrophobicContact CG-CD 4.05Å; W726-K819 HydrophobicContact CG-CG 3.87Å; W726-K819 HydrophobicContact CZ2-CB 4.46Å; E729-K819 IonicContact OE2-NZ 3.88Å; E729-K819 PolarHBondContact OE2-NZ 3.43Å; I730-K819 HydrophobicContact CD1-CG 4.05Å; I730-K819 HydrophobicContact CG1-CG 4.38Å; K819-T821 PolarHBondContact O-N 3.22Å; K819-L822 PolarHBondContact O-N 3.23Å; K819-R823 PolarHBondContact O-N 3.4Å |
| 820 | A | 93.1 | Very high | 92.4 | Very high | 54 Ų | 54 | 45.4 Ų | 45.4 | 45% | 0.446 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62 | -42.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K818 R823 E824 | K818-A820 VanDerWaalsContact C-N 3.3Å; K818-A820 PolarHBondContact O-N 3.05Å; A820-R823 PolarHBondContact O-N 3.23Å; A820-E824 PolarHBondContact O-N 3.08Å |
| 821 | T | 92.6 | Very high | 92.1 | Very high | 17 Ų | 17 | 48.5 Ų | 48.5 | 10% | 0.104 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.6 | -45.9 | 176.3 | -48.7 | 0 | 0 | 0 | 0 | 111.1 | Y816 K818 K819 R823 E824 K825 | Y816-T821 HydrophobicContact CD1-CG2 3.66Å; Y816-T821 HydrophobicContact CE1-CG2 4.05Å; Y816-T821 HydrophobicContact CG-CG2 4.36Å; K818-T821 PolarHBondContact O-N 3.07Å; K819-T821 PolarHBondContact O-N 3.22Å; T821-R823 PolarHBondContact O-N 3.42Å; T821-E824 PolarHBondContact O-N 2.94Å; T821-K825 HydrophobicContact CG2-CG 4.16Å; T821-K825 VanDerWaalsContact O-CB 3.29Å; T821-K825 WeakPolarHBondContact O-CB 3.46Å; T821-K825 WeakPolarHBondContact O-CG 3.17Å; T821-K825 PolarHBondContact O-N 3.01Å |
| 822 | L | 94.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58 | -47.5 | 175.6 | 171.4 | 61.1 | 0 | 0 | 0 | 111.3 | V723 W726 L727 I730 L813 Y816 K818 K819 L826 | V723-L822 HydrophobicContact CG1-CD2 4.12Å; W726-L822 HydrophobicContact CB-CD2 3.76Å; L727-L822 HydrophobicContact CB-CD2 4.26Å; I730-L822 HydrophobicContact CD1-CB 4.16Å; I730-L822 HydrophobicContact CD1-CD2 3.75Å; I730-L822 HydrophobicContact CD1-CG 3.71Å; L813-L822 HydrophobicContact CD1-CD1 3.65Å; L813-L822 HydrophobicContact CD2-CD1 4.32Å; L813-L822 HydrophobicContact CG-CD1 4.43Å; Y816-L822 HydrophobicContact CD2-CB 3.87Å; Y816-L822 HydrophobicContact CD2-CD1 3.76Å; Y816-L822 HydrophobicContact CD2-CG 4.4Å; Y816-L822 HydrophobicContact CE2-CD1 3.9Å; Y816-L822 HydrophobicContact CG-CB 4.41Å; K818-L822 PolarHBondContact O-N 3.27Å; K819-L822 PolarHBondContact O-N 3.23Å; L822-L826 HydrophobicContact CD1-CB 4.49Å; L822-L826 WeakPolarHBondContact O-CB 3.37Å; L822-L826 PolarHBondContact O-N 3.07Å |
| 823 | R | 94.8 | Very high | 89.7 | Confident | 102 Ų | 102 | 51.3 Ų | 51.3 | 39% | 0.385 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.5 | -50.6 | -179 | -178.2 | 178.6 | 63.7 | -174.8 | 0.8 | 112.1 | I730 D734 K819 A820 T821 R827 | I730-R823 HydrophobicContact CD1-CB 3.76Å; I730-R823 HydrophobicContact CG1-CB 4.1Å; I730-R823 HydrophobicContact CG1-CG 4.45Å; I730-R823 HydrophobicContact CG2-CB 4.25Å; I730-R823 HydrophobicContact CG2-CG 3.99Å; D734-R823 VanDerWaalsContact OD1-CD 3.24Å; D734-R823 WeakPolarHBondContact OD1-CD 3.33Å; D734-R823 IonicContact OD1-CZ 2.68Å; D734-R823 IonicContact OD1-NE 2.78Å; D734-R823 IonicContact OD1-NH1 3.28Å; D734-R823 PolarHBondContact OD1-NH1 3.18Å; K819-R823 PolarHBondContact O-N 3.4Å; A820-R823 PolarHBondContact O-N 3.23Å; T821-R823 PolarHBondContact O-N 3.42Å; R823-R827 WeakPolarHBondContact O-CB 3.35Å; R823-R827 PolarHBondContact O-N 3.26Å |
| 824 | E | 93.4 | Very high | 87.5 | Confident | 134 Ų | 134 | 54.1 Ų | 54.1 | 63% | 0.626 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -64.3 | -47.3 | -177.9 | -173.4 | -176.5 | 168.6 | 0 | 0 | 111.5 | A820 T821 R827 Y828 | A820-E824 PolarHBondContact O-N 3.08Å; T821-E824 PolarHBondContact O-N 2.94Å; E824-R827 PolarHBondContact O-N 3.49Å; E824-Y828 WeakPolarHBondContact O-CB 3.46Å; E824-Y828 PolarHBondContact O-N 3.37Å |
| 825 | K | 92.6 | Very high | 85.2 | Confident | 49 Ų | 49 | 54.6 Ų | 54.6 | 21% | 0.213 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -70.1 | -37 | -177.8 | -64.9 | -73.4 | 169.5 | 176.3 | 0 | 112.6 | V798 L801 Y816 T821 A829 | V798-K825 WeakPolarHBondContact O-CE 3.23Å; V798-K825 PolarHBondContact O-NZ 2.72Å; V798-K825 VanDerWaalsContact O-NZ 3.12Å; L801-K825 HydrophobicContact CD2-CB 4.22Å; L801-K825 HydrophobicContact CD2-CD 3.62Å; Y816-K825 HydrophobicContact CE1-CG 4.35Å; T821-K825 HydrophobicContact CG2-CG 4.16Å; T821-K825 VanDerWaalsContact O-CB 3.29Å; T821-K825 WeakPolarHBondContact O-CB 3.46Å; T821-K825 WeakPolarHBondContact O-CG 3.17Å; T821-K825 PolarHBondContact O-N 3.01Å; K825-A829 WeakPolarHBondContact O-CB 3.24Å; K825-A829 PolarHBondContact O-N 3.08Å |
| 826 | L | 94.1 | Very high | 83.1 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.7 | -48.8 | 174.9 | -175.6 | 66.7 | 0 | 0 | 0 | 111.1 | L727 L731 F735 F743 P802 L822 Y828 A829 V830 | L727-L826 HydrophobicContact CD1-CD2 3.48Å; L727-L826 VanDerWaalsContact CD1-CD2 3.48Å; L731-L826 HydrophobicContact CD2-CD2 4.38Å; F735-L826 HydrophobicContact CE1-CD2 4.41Å; F735-L826 HydrophobicContact CE1-CG 4.49Å; F735-L826 HydrophobicContact CZ-CB 4.43Å; F735-L826 HydrophobicContact CZ-CD2 3.91Å; F735-L826 HydrophobicContact CZ-CG 3.95Å; F743-L826 HydrophobicContact CD2-CD1 4.02Å; F743-L826 HydrophobicContact CD2-CD2 4.44Å; F743-L826 HydrophobicContact CD2-CG 4.49Å; F743-L826 HydrophobicContact CE2-CD1 4.01Å; F743-L826 HydrophobicContact CE2-CD2 4.49Å; P802-L826 HydrophobicContact CB-CD1 4.38Å; P802-L826 HydrophobicContact CG-CD1 4.3Å; L822-L826 HydrophobicContact CD1-CB 4.49Å; L822-L826 WeakPolarHBondContact O-CB 3.37Å; L822-L826 PolarHBondContact O-N 3.07Å; L826-Y828 VanDerWaalsContact C-N 3.29Å; L826-Y828 PolarHBondContact O-N 2.96Å; L826-A829 PolarHBondContact O-N 3.21Å; L826-V830 HydrophobicContact CD1-CG2 4.24Å; L826-V830 HydrophobicContact CG-CG2 4.39Å; L826-V830 WeakPolarHBondContact O-CB 3.27Å; L826-V830 VanDerWaalsContact O-CG2 3.23Å; L826-V830 WeakPolarHBondContact O-CG2 3.38Å; L826-V830 PolarHBondContact O-N 3.47Å |
| 827 | R | 93.9 | Very high | 80.5 | Confident | 81 Ų | 81 | 67.1 Ų | 67.1 | 31% | 0.306 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.1 | -40.9 | 177.4 | -179.8 | 174.3 | -85.4 | 162.2 | -3.5 | 111.5 | D734 F735 E739 R823 E824 N831 | D734-R827 PolarHBondContact O-NH2 3.39Å; F735-R827 HydrophobicContact CE2-CB 4.21Å; F735-R827 HydrophobicContact CZ-CB 4.03Å; E739-R827 WeakPolarHBondContact OE1-CD 3.34Å; E739-R827 IonicContact OE1-CZ 3.55Å; E739-R827 VanDerWaalsContact OE1-CZ 3.28Å; E739-R827 IonicContact OE1-NE 3.98Å; E739-R827 PolarHBondContact OE1-NE 3.33Å; E739-R827 IonicContact OE1-NH2 3.37Å; E739-R827 PolarHBondContact OE1-NH2 2.81Å; E739-R827 IonicContact OE2-CZ 2.77Å; E739-R827 IonicContact OE2-NE 3.99Å; E739-R827 IonicContact OE2-NH2 2.85Å; E739-R827 PolarHBondContact OE2-NH2 3.25Å; R823-R827 WeakPolarHBondContact O-CB 3.35Å; R823-R827 PolarHBondContact O-N 3.26Å; E824-R827 PolarHBondContact O-N 3.49Å; R827-N831 WeakPolarHBondContact O-CB 3.21Å; R827-N831 PolarHBondContact O-N 3.35Å; R827-N831 VanDerWaalsContact O-N 3.07Å; R827-N831 PolarHBondContact O-ND2 3.02Å |
| 828 | Y | 92.6 | Very high | 77.8 | Confident | 135 Ų | 135 | 69.6 Ų | 69.6 | 53% | 0.529 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.8 | -53.3 | 174.4 | -176.4 | -90.9 | 0 | 0 | 0 | 112.1 | L801 E824 L826 V830 N831 C832 | L801-Y828 HydrophobicContact CD1-CD1 3.88Å; L801-Y828 HydrophobicContact CD1-CE1 3.77Å; L801-Y828 HydrophobicContact CD2-CD1 3.67Å; L801-Y828 HydrophobicContact CD2-CE1 4.33Å; L801-Y828 HydrophobicContact CG-CD1 4.47Å; E824-Y828 WeakPolarHBondContact O-CB 3.46Å; E824-Y828 PolarHBondContact O-N 3.37Å; L826-Y828 VanDerWaalsContact C-N 3.29Å; L826-Y828 PolarHBondContact O-N 2.96Å; Y828-V830 VanDerWaalsContact C-N 3.31Å; Y828-V830 PolarHBondContact O-N 3.3Å; Y828-N831 PolarHBondContact O-N 2.82Å; Y828-C832 WeakPolarHBondContact O-CB 3.39Å; Y828-C832 PolarHBondContact O-N 2.99Å; Y828-C832 PolarHBondContact O-SG 2.99Å; Y828-C832 VanDerWaalsContact O-SG 3.34Å |
| 829 | A | 90.7 | Very high | 75 | Confident | 3 Ų | 3 | 69.3 Ų | 69.3 | 3% | 0.025 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.3 | -40.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F746 P802 K825 L826 | F746-A829 HydrophobicContact CE2-CB 4.24Å; F746-A829 HydrophobicContact CZ-CB 4.03Å; P802-A829 HydrophobicContact CB-CB 4.5Å; K825-A829 WeakPolarHBondContact O-CB 3.24Å; K825-A829 PolarHBondContact O-N 3.08Å; L826-A829 PolarHBondContact O-N 3.21Å |
| 830 | V | 90 | Very high | 74.1 | Confident | 7 Ų | 7 | 69.5 Ų | 69.5 | 4% | 0.042 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.6 | -40.6 | 178.3 | 168.8 | 0 | 0 | 0 | 0 | 112.1 | L742 F743 F746 L826 Y828 | L742-V830 VanDerWaalsContact C-CG1 3.4Å; L742-V830 HydrophobicContact CB-CG1 3.35Å; F743-V830 HydrophobicContact CB-CG1 4.37Å; F743-V830 HydrophobicContact CB-CG2 4.09Å; F743-V830 HydrophobicContact CD2-CG2 4.06Å; F746-V830 HydrophobicContact CB-CG2 4.13Å; F746-V830 HydrophobicContact CD1-CG2 4.21Å; F746-V830 HydrophobicContact CG-CG2 4.13Å; L826-V830 HydrophobicContact CD1-CG2 4.24Å; L826-V830 HydrophobicContact CG-CG2 4.39Å; L826-V830 WeakPolarHBondContact O-CB 3.27Å; L826-V830 VanDerWaalsContact O-CG2 3.23Å; L826-V830 WeakPolarHBondContact O-CG2 3.38Å; L826-V830 PolarHBondContact O-N 3.47Å; Y828-V830 VanDerWaalsContact C-N 3.31Å; Y828-V830 PolarHBondContact O-N 3.3Å |
| 831 | N | 85.7 | Confident | 73 | Confident | 88 Ų | 88 | 70.3 Ų | 70.3 | 47% | 0.471 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -79.9 | -27.4 | -178.2 | -74.1 | -29.6 | 0 | 0 | 0 | 113.9 | R827 Y828 G833 | R827-N831 WeakPolarHBondContact O-CB 3.21Å; R827-N831 PolarHBondContact O-N 3.35Å; R827-N831 VanDerWaalsContact O-N 3.07Å; R827-N831 PolarHBondContact O-ND2 3.02Å; Y828-N831 PolarHBondContact O-N 2.82Å; N831-G833 VanDerWaalsContact C-N 3.26Å; N831-G833 PolarHBondContact O-N 2.73Å |
| 832 | C | 79 | Confident | 72 | Confident | 54 Ų | 54 | 73.2 Ų | 73.2 | 37% | 0.365 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -74 | -14.8 | 179.6 | -73.3 | 0 | 0 | 0 | 0 | 113.4 | Y828 T834 | Y828-C832 WeakPolarHBondContact O-CB 3.39Å; Y828-C832 PolarHBondContact O-N 2.99Å; Y828-C832 PolarHBondContact O-SG 2.99Å; Y828-C832 VanDerWaalsContact O-SG 3.34Å; C832-T834 HydrophobicContact CB-CG2 4.24Å; C832-T834 WeakPolarHBondContact CB-OG1 3.44Å; C832-T834 PolarHBondContact O-N 3.22Å |
| 833 | G | 58.3 | Low | 70.6 | Confident | 56 Ų | 56 | 77.5 Ų | 77.5 | 58% | 0.577 | 40% | 0.404 | S | S | * | . | trans | 64.4 | -2.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | N831 G835 | N831-G833 VanDerWaalsContact C-N 3.26Å; N831-G833 PolarHBondContact O-N 2.73Å; G833-G835 VanDerWaalsContact C-N 3.27Å; G833-G835 PolarHBondContact O-N 3.09Å | ||
| 834 | T | 45.9 | Very low | 69.1 | Low | 59 Ų | 59 | 76 Ų | 76 | 36% | 0.362 | 41% | 0.405 | S | S | . | . | trans | -80 | 67.5 | -177 | 54 | 0 | 0 | 0 | 0 | 110.7 | C832 | C832-T834 HydrophobicContact CB-CG2 4.24Å; C832-T834 WeakPolarHBondContact CB-OG1 3.44Å; C832-T834 PolarHBondContact O-N 3.22Å | ||
| 835 | G | 44.7 | Very low | 67.5 | Low | 10 Ų | 10 | 72.1 Ų | 72.1 | 10% | 0.103 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -89.7 | -22.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | G833 | G833-G835 VanDerWaalsContact C-N 3.27Å; G833-G835 PolarHBondContact O-N 3.09Å |
| 836 | F | 45.7 | Very low | 65.7 | Low | 113 Ų | 113 | 73.8 Ų | 73.8 | 50% | 0.496 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -97.3 | -34.9 | -165.3 | -64.6 | -83.7 | 0 | 0 | 0 | 114.8 | T806 | T806-F836 HydrophobicContact CG2-CZ 4.47Š|
| 837 | E | 34.5 | Very low | 63.5 | Low | 181 Ų | 181 | 79.5 Ų | 79.5 | 85% | 0.846 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -91.4 | -10.2 | -170.7 | -67.5 | -173.5 | 171.6 | 0 | 0 | 115.6 | ||
| 838 | L | 31.8 | Very low | 61 | Low | 115 Ų | 115 | 79.3 Ų | 79.3 | 60% | 0.602 | 45% | 0.445 | S | S | * | . | trans | -113.7 | 16 | -170 | -68.9 | 170.2 | 0 | 0 | 0 | 114.3 | ||||
| 839 | S | 33.4 | Very low | 58.1 | Low | 131 Ų | 131 | 74.3 Ų | 74.3 | 92% | 0.916 | 44% | 0.437 | S | S | * | . | trans | -80.1 | 0 | 176.7 | 66.9 | 0 | 0 | 0 | 0 | 113.3 |
Retrieved 839 of 839 residues in 1141.7 ms
(Link to these results)