| 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 | 36.1 | Very low | 46.2 | Very low | 203 Ų | 203 | 132.9 Ų | 132.9 | 100% | 1 | 62% | 0.622 | S | S | * | * | 0 | -57.1 | 0 | -73.1 | -157 | 161.2 | 0 | 0 | 114.6 | D4 | M1-D4 PolarHBondContact N-OD2 3.39Å; M1-D4 VanDerWaalsContact N-OD2 3.08Å | |||
| 2 | K | 36.4 | Very low | 48.7 | Very low | 187 Ų | 187 | 122.5 Ų | 122.5 | 81% | 0.813 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -77.6 | -22.3 | 173.6 | -82.4 | -173.4 | 176.8 | -178.8 | 0 | 115.2 | S5 | K2-S5 PolarHBondContact O-OG 3.46Å; K2-S5 VanDerWaalsContact O-OG 3.06Å |
| 3 | Q | 36.3 | Very low | 50.6 | Low | 165 Ų | 165 | 121.8 Ų | 121.8 | 77% | 0.771 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -84.8 | -31.1 | 176.5 | -89.3 | 173.7 | -27.6 | 0 | 0 | 113.1 | S5 Y6 | Q3-S5 VanDerWaalsContact C-N 3.35Å; Q3-Y6 PolarHBondContact O-N 3.06Å |
| 4 | D | 41.8 | Very low | 52.5 | Low | 108 Ų | 108 | 118 Ų | 118 | 58% | 0.578 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -72.3 | -28.4 | 176 | -52.1 | -60.9 | 0 | 0 | 0 | 112.6 | M1 R8 | M1-D4 PolarHBondContact N-OD2 3.39Å; M1-D4 VanDerWaalsContact N-OD2 3.08Å; D4-R8 PolarHBondContact O-N 3.08Å |
| 5 | S | 41.7 | Very low | 54.7 | Low | 66 Ų | 66 | 110.2 Ų | 110.2 | 46% | 0.462 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -71.5 | -32.1 | 176 | 62.2 | 0 | 0 | 0 | 0 | 113 | K2 Q3 S9 | K2-S5 PolarHBondContact O-OG 3.46Å; K2-S5 VanDerWaalsContact O-OG 3.06Å; Q3-S5 VanDerWaalsContact C-N 3.35Å; S5-S9 PolarHBondContact O-N 3.49Å |
| 6 | Y | 40.2 | Very low | 56.4 | Low | 180 Ų | 180 | 103.4 Ų | 103.4 | 71% | 0.706 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -73.4 | -34.6 | 179.7 | -100.5 | -83.5 | 0 | 0 | 0 | 112.7 | Q3 S9 | Q3-Y6 PolarHBondContact O-N 3.06Å; Y6-S9 PolarHBondContact O-OG 2.86Å |
| 7 | H | 47.6 | Very low | 57.9 | Low | 154 Ų | 154 | 101.5 Ų | 101.5 | 71% | 0.713 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -76 | -24.2 | 175.7 | -80.2 | -57.4 | 0 | 0 | 0 | 113.4 | ||
| 8 | R | 46.2 | Very low | 59.5 | Low | 142 Ų | 142 | 99.7 Ų | 99.7 | 54% | 0.536 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.4 | -45.4 | 175.1 | -81 | -173.4 | -176.3 | -169.2 | 0 | 112.8 | D4 D10 R11 E36 | D4-R8 PolarHBondContact O-N 3.08Å; R8-D10 PolarHBondContact O-N 3.13Å; R8-D10 VanDerWaalsContact O-N 3.15Å; R8-R11 WeakPolarHBondContact O-CB 3.43Å; R8-R11 PolarHBondContact O-N 3.15Å; R8-R11 VanDerWaalsContact O-N 3.13Å; R8-E36 IonicContact NH1-OE1 2.85Å; R8-E36 PolarHBondContact NH1-OE1 3.43Å; R8-E36 IonicContact NH1-OE2 3.85Å |
| 9 | S | 50 | Low | 60.9 | Low | 51 Ų | 51 | 95.9 Ų | 95.9 | 36% | 0.357 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.2 | -19 | -177 | 58.1 | 0 | 0 | 0 | 0 | 114.5 | S5 Y6 | S5-S9 PolarHBondContact O-N 3.49Å; Y6-S9 PolarHBondContact O-OG 2.86Å |
| 10 | D | 61.7 | Low | 62.2 | Low | 80 Ų | 80 | 95 Ų | 95 | 43% | 0.428 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -13.5 | 178.9 | -78.4 | -11.6 | 0 | 0 | 0 | 113.4 | R8 F12 K13 | R8-D10 PolarHBondContact O-N 3.13Å; R8-D10 VanDerWaalsContact O-N 3.15Å; D10-F12 VanDerWaalsContact C-N 3.26Å; D10-F12 PolarHBondContact O-N 2.64Å; D10-K13 WeakPolarHBondContact OD1-CD 3.35Å; D10-K13 WeakPolarHBondContact OD1-CE 3.05Å; D10-K13 IonicContact OD1-NZ 2.89Å; D10-K13 PolarHBondContact OD1-NZ 3.19Å |
| 11 | R | 70.1 | Confident | 63.3 | Low | 126 Ų | 126 | 91.8 Ų | 91.8 | 48% | 0.475 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -29.3 | -170.5 | -167.4 | 176.7 | -179.6 | -170.4 | -4.1 | 113.8 | R8 S28 | R8-R11 WeakPolarHBondContact O-CB 3.43Å; R8-R11 PolarHBondContact O-N 3.15Å; R8-R11 VanDerWaalsContact O-N 3.13Å; R11-S28 PolarHBondContact NH2-OG 3.37Å; R11-S28 VanDerWaalsContact NH2-OG 3.13Å |
| 12 | F | 76.9 | Confident | 65.7 | Low | 8 Ų | 8 | 82.1 Ų | 82.1 | 4% | 0.035 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.3 | 15.4 | -174.9 | -53.6 | -62 | 0 | 0 | 0 | 114.4 | D10 C14 I15 V21 F25 F37 V41 | D10-F12 VanDerWaalsContact C-N 3.26Å; D10-F12 PolarHBondContact O-N 2.64Å; F12-C14 PolarHBondContact O-N 3.31Å; F12-C14 VanDerWaalsContact O-N 3.09Å; F12-I15 WeakPolarHBondContact O-CB 3.17Å; F12-I15 PolarHBondContact O-N 2.85Å; F12-V21 HydrophobicContact CD1-CG1 4.16Å; F12-F25 HydrophobicContact CD1-CB 3.9Å; F12-F25 HydrophobicContact CD1-CD2 4.38Å; F12-F25 HydrophobicContact CD2-CD2 4.45Å; F12-F25 HydrophobicContact CE1-CB 3.82Å; F12-F25 HydrophobicContact CE1-CD2 4.3Å; F12-F25 HydrophobicContact CE2-CD2 4.35Å; F12-F25 HydrophobicContact CG-CD2 4.46Å; F12-F25 HydrophobicContact CZ-CD2 4.27Å; F12-F37 HydrophobicContact CE2-CB 4.45Å; F12-F37 AromaticContact CE2-CD1 3.97Å; F12-F37 HydrophobicContact CE2-CD1 3.97Å; F12-F37 HydrophobicContact CE2-CG 4.26Å; F12-V41 HydrophobicContact CB-CG2 3.64Å; F12-V41 HydrophobicContact CD2-CG2 3.98Å; F12-V41 HydrophobicContact CG-CG2 3.95Å |
| 13 | K | 72.4 | Confident | 68.2 | Low | 114 Ų | 114 | 75 Ų | 75 | 50% | 0.496 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -33.5 | -176.6 | -95.2 | -178 | 173.9 | 167.3 | 0 | 114.6 | D10 | D10-K13 WeakPolarHBondContact OD1-CD 3.35Å; D10-K13 WeakPolarHBondContact OD1-CE 3.05Å; D10-K13 IonicContact OD1-NZ 2.89Å; D10-K13 PolarHBondContact OD1-NZ 3.19Å |
| 14 | C | 78 | Confident | 70.5 | Confident | 68 Ų | 68 | 70.4 Ų | 70.4 | 46% | 0.459 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 25.7 | -178.1 | -58 | 0 | 0 | 0 | 0 | 113.2 | F12 G16 S17 D18 | F12-C14 PolarHBondContact O-N 3.31Å; F12-C14 VanDerWaalsContact O-N 3.09Å; C14-G16 PolarHBondContact O-N 3.23Å; C14-S17 WeakPolarHBondContact CB-OG 3.44Å; C14-S17 PolarHBondContact O-N 3.13Å; C14-S17 VanDerWaalsContact O-N 3.09Å; C14-S17 PolarHBondContact O-OG 2.67Å; C14-D18 PolarHBondContact O-N 3.11Å |
| 15 | I | 84.7 | Confident | 72.7 | Confident | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -30.5 | -174.6 | -165.5 | 168.7 | 0 | 0 | 0 | 113.6 | F12 V21 L22 F25 V41 I50 F53 | F12-I15 WeakPolarHBondContact O-CB 3.17Å; F12-I15 PolarHBondContact O-N 2.85Å; I15-V21 HydrophobicContact CB-CG1 4.4Å; I15-L22 HydrophobicContact CG1-CB 4.12Å; I15-L22 HydrophobicContact CG1-CD1 4.46Å; I15-L22 HydrophobicContact CG1-CG 4.3Å; I15-F25 HydrophobicContact CD1-CB 3.87Å; I15-F25 HydrophobicContact CD1-CD1 3.71Å; I15-F25 HydrophobicContact CD1-CD2 4.19Å; I15-F25 HydrophobicContact CD1-CE1 4.26Å; I15-F25 HydrophobicContact CD1-CG 3.66Å; I15-V41 HydrophobicContact CD1-CB 4.44Å; I15-V41 HydrophobicContact CD1-CG1 3.77Å; I15-V41 HydrophobicContact CD1-CG2 3.73Å; I15-V41 HydrophobicContact CG2-CG1 4.17Å; I15-I50 HydrophobicContact CD1-CD1 4.33Å; I15-I50 HydrophobicContact CG1-CD1 4.25Å; I15-I50 HydrophobicContact CG2-CD1 4.44Å; I15-F53 WeakPolarHBondContact O-CE2 3.47Å |
| 16 | G | 81.9 | Confident | 74.9 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -9.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | C14 D46 Q49 F53 | C14-G16 PolarHBondContact O-N 3.23Å; G16-D46 WeakPolarHBondContact CA-OD2 3.37Å; G16-D46 PolarHBondContact N-OD2 3.45Å; G16-Q49 CarbonylContact O-C 3.59Å; G16-F53 WeakPolarHBondContact O-CZ 3.31Å |
| 17 | S | 83.1 | Confident | 77 | Confident | 72 Ų | 72 | 61.6 Ų | 61.6 | 50% | 0.503 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | -30.8 | -175.8 | 40.6 | 0 | 0 | 0 | 0 | 113.6 | C14 D46 | C14-S17 WeakPolarHBondContact CB-OG 3.44Å; C14-S17 PolarHBondContact O-N 3.13Å; C14-S17 VanDerWaalsContact O-N 3.09Å; C14-S17 PolarHBondContact O-OG 2.67Å; S17-D46 PolarHBondContact N-OD2 2.6Å; S17-D46 PolarHBondContact OG-OD2 2.92Å |
| 18 | D | 85.9 | Confident | 78.8 | Confident | 69 Ų | 69 | 55.3 Ų | 55.3 | 37% | 0.369 | 29% | 0.29 | S | S | . | . | trans | -114.6 | 112.5 | 176.4 | -173.2 | -8.8 | 0 | 0 | 0 | 111.6 | C14 S20 V21 L22 | C14-D18 PolarHBondContact O-N 3.11Å; D18-S20 PolarHBondContact O-N 3.23Å; D18-S20 WeakPolarHBondContact OD1-CB 3.33Å; D18-S20 PolarHBondContact OD1-N 3.19Å; D18-S20 PolarHBondContact OD1-OG 3.04Å; D18-V21 HydrophobicContact CB-CB 4.26Å; D18-V21 HydrophobicContact CB-CG2 3.81Å; D18-V21 WeakPolarHBondContact O-CB 3.26Å; D18-V21 PolarHBondContact O-N 3.25Å; D18-V21 VanDerWaalsContact O-N 3.1Å; D18-L22 PolarHBondContact O-N 3.44Å | ||
| 19 | I | 87 | Confident | 80.5 | Confident | 28 Ų | 28 | 50.1 Ų | 50.1 | 14% | 0.144 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.8 | -28.9 | 179 | -166.2 | 64.3 | 0 | 0 | 0 | 112.2 | V21 L22 V23 F53 E64 V68 | I19-V21 VanDerWaalsContact C-N 3.32Å; I19-V21 PolarHBondContact O-N 3.5Å; I19-L22 HydrophobicContact CD1-CB 4.46Å; I19-L22 HydrophobicContact CD1-CD2 4.35Å; I19-L22 PolarHBondContact O-N 3.09Å; I19-V23 VanDerWaalsContact O-CG2 3.32Å; I19-V23 WeakPolarHBondContact O-CG2 3.49Å; I19-V23 PolarHBondContact O-N 3.24Å; I19-F53 HydrophobicContact CB-CE1 4.17Å; I19-F53 HydrophobicContact CB-CZ 4.32Å; I19-F53 HydrophobicContact CD1-CD1 4.28Å; I19-F53 HydrophobicContact CD1-CD2 4.07Å; I19-F53 HydrophobicContact CD1-CE1 4.46Å; I19-F53 HydrophobicContact CD1-CE2 4.26Å; I19-F53 HydrophobicContact CD1-CG 4.07Å; I19-F53 HydrophobicContact CD1-CZ 4.44Å; I19-E64 HydrophobicContact CG1-CB 4.27Å; I19-E64 HydrophobicContact CG1-CG 4.21Å; I19-V68 HydrophobicContact CD1-CG2 3.63Å |
| 20 | S | 86.3 | Confident | 81.6 | Confident | 77 Ų | 77 | 50.9 Ų | 50.9 | 54% | 0.538 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.1 | -36.8 | 178.5 | -38.8 | 0 | 0 | 0 | 0 | 110.9 | D18 N24 | D18-S20 PolarHBondContact O-N 3.23Å; D18-S20 WeakPolarHBondContact OD1-CB 3.33Å; D18-S20 PolarHBondContact OD1-N 3.19Å; D18-S20 PolarHBondContact OD1-OG 3.04Å; S20-N24 WeakPolarHBondContact O-CB 3.38Å; S20-N24 PolarHBondContact O-N 2.99Å |
| 21 | V | 85.4 | Confident | 82 | Confident | 27 Ų | 27 | 55 Ų | 55 | 16% | 0.164 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.7 | -39.7 | 174.2 | 178.4 | 0 | 0 | 0 | 0 | 110.4 | F12 I15 D18 I19 N24 F25 | F12-V21 HydrophobicContact CD1-CG1 4.16Å; I15-V21 HydrophobicContact CB-CG1 4.4Å; D18-V21 HydrophobicContact CB-CB 4.26Å; D18-V21 HydrophobicContact CB-CG2 3.81Å; D18-V21 WeakPolarHBondContact O-CB 3.26Å; D18-V21 PolarHBondContact O-N 3.25Å; D18-V21 VanDerWaalsContact O-N 3.1Å; I19-V21 VanDerWaalsContact C-N 3.32Å; I19-V21 PolarHBondContact O-N 3.5Å; V21-N24 PolarHBondContact O-N 3.17Å; V21-F25 WeakPolarHBondContact O-CB 3.21Å; V21-F25 PolarHBondContact O-N 3.27Å |
| 22 | L | 87.2 | Confident | 82.1 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.8 | -42.2 | 175.8 | -171.1 | 150.8 | 0 | 0 | 0 | 112.4 | I15 D18 I19 F25 V26 I50 F53 A67 V68 A71 | I15-L22 HydrophobicContact CG1-CB 4.12Å; I15-L22 HydrophobicContact CG1-CD1 4.46Å; I15-L22 HydrophobicContact CG1-CG 4.3Å; D18-L22 PolarHBondContact O-N 3.44Å; I19-L22 HydrophobicContact CD1-CB 4.46Å; I19-L22 HydrophobicContact CD1-CD2 4.35Å; I19-L22 PolarHBondContact O-N 3.09Å; L22-F25 WeakPolarHBondContact O-CB 3.39Å; L22-F25 PolarHBondContact O-N 3.18Å; L22-V26 HydrophobicContact CD2-CG2 4.27Å; L22-V26 WeakPolarHBondContact O-CG2 2.98Å; L22-V26 PolarHBondContact O-N 3.31Å; L22-I50 HydrophobicContact CD1-CB 4.34Å; L22-I50 HydrophobicContact CD1-CD1 4.14Å; L22-I50 HydrophobicContact CD1-CG1 3.9Å; L22-I50 HydrophobicContact CD1-CG2 3.67Å; L22-F53 HydrophobicContact CD1-CD2 3.85Å; L22-F53 HydrophobicContact CD1-CE2 3.75Å; L22-A67 VanDerWaalsContact CD2-C 3.4Å; L22-A67 HydrophobicContact CD2-CB 3.76Å; L22-A67 WeakPolarHBondContact CD2-O 3.37Å; L22-V68 HydrophobicContact CD2-CG2 4.38Å; L22-A71 HydrophobicContact CD1-CB 4.07Å; L22-A71 HydrophobicContact CD2-CB 3.77Å; L22-A71 HydrophobicContact CG-CB 3.88Å |
| 23 | V | 87.1 | Confident | 82.2 | Confident | 39 Ų | 39 | 60.2 Ų | 60.2 | 24% | 0.236 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61 | -46.7 | 173.4 | 171.7 | 0 | 0 | 0 | 0 | 110.1 | I19 F25 V26 E27 A67 | I19-V23 VanDerWaalsContact O-CG2 3.32Å; I19-V23 WeakPolarHBondContact O-CG2 3.49Å; I19-V23 PolarHBondContact O-N 3.24Å; V23-F25 VanDerWaalsContact C-N 3.31Å; V23-F25 PolarHBondContact O-N 2.86Å; V23-V26 PolarHBondContact O-N 3.41Å; V23-V26 VanDerWaalsContact O-N 3.15Å; V23-E27 HydrophobicContact CG1-CG 4.34Å; V23-E27 WeakPolarHBondContact O-CB 3.48Å; V23-E27 WeakPolarHBondContact O-CG 3.43Å; V23-E27 PolarHBondContact O-N 2.9Å; V23-A67 HydrophobicContact CG2-CB 3.69Å |
| 24 | N | 86 | Confident | 82.6 | Confident | 67 Ų | 67 | 55.4 Ų | 55.4 | 36% | 0.358 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.6 | -39 | 176.2 | -171.5 | 7.5 | 0 | 0 | 0 | 112 | S20 V21 E27 S28 | S20-N24 WeakPolarHBondContact O-CB 3.38Å; S20-N24 PolarHBondContact O-N 2.99Å; V21-N24 PolarHBondContact O-N 3.17Å; N24-E27 PolarHBondContact O-N 2.99Å; N24-S28 WeakPolarHBondContact O-CB 3.49Å; N24-S28 PolarHBondContact O-N 3.38Å; N24-S28 PolarHBondContact O-OG 2.95Å; N24-S28 PolarHBondContact OD1-OG 3.5Å; N24-S28 VanDerWaalsContact OD1-OG 3.11Å |
| 25 | F | 87.5 | Confident | 82.7 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.1 | -52.8 | 172.3 | 168.3 | -107.8 | 0 | 0 | 0 | 110.7 | F12 I15 V21 L22 V23 E27 S28 I29 F37 V38 V41 A71 I75 | F12-F25 HydrophobicContact CD1-CB 3.9Å; F12-F25 HydrophobicContact CD1-CD2 4.38Å; F12-F25 HydrophobicContact CD2-CD2 4.45Å; F12-F25 HydrophobicContact CE1-CB 3.82Å; F12-F25 HydrophobicContact CE1-CD2 4.3Å; F12-F25 HydrophobicContact CE2-CD2 4.35Å; F12-F25 HydrophobicContact CG-CD2 4.46Å; F12-F25 HydrophobicContact CZ-CD2 4.27Å; I15-F25 HydrophobicContact CD1-CB 3.87Å; I15-F25 HydrophobicContact CD1-CD1 3.71Å; I15-F25 HydrophobicContact CD1-CD2 4.19Å; I15-F25 HydrophobicContact CD1-CE1 4.26Å; I15-F25 HydrophobicContact CD1-CG 3.66Å; V21-F25 WeakPolarHBondContact O-CB 3.21Å; V21-F25 PolarHBondContact O-N 3.27Å; L22-F25 WeakPolarHBondContact O-CB 3.39Å; L22-F25 PolarHBondContact O-N 3.18Å; V23-F25 VanDerWaalsContact C-N 3.31Å; V23-F25 PolarHBondContact O-N 2.86Å; F25-E27 VanDerWaalsContact C-N 3.29Å; F25-E27 PolarHBondContact O-N 3.15Å; F25-S28 PolarHBondContact O-N 3.29Å; F25-I29 HydrophobicContact CD1-CD1 3.89Å; F25-I29 HydrophobicContact CD2-CD1 4.06Å; F25-I29 HydrophobicContact CD2-CG1 4.36Å; F25-I29 HydrophobicContact CE1-CD1 3.53Å; F25-I29 HydrophobicContact CE2-CD1 3.7Å; F25-I29 HydrophobicContact CE2-CG1 4.11Å; F25-I29 HydrophobicContact CG-CD1 4.15Å; F25-I29 HydrophobicContact CZ-CD1 3.43Å; F25-I29 VanDerWaalsContact CZ-CD1 3.43Å; F25-I29 HydrophobicContact CZ-CG1 4.31Å; F25-I29 WeakPolarHBondContact O-CD1 3.21Å; F25-I29 WeakPolarHBondContact O-CG1 3.32Å; F25-I29 PolarHBondContact O-N 3.1Å; F25-F37 HydrophobicContact CE2-CB 4.04Å; F25-V38 HydrophobicContact CZ-CG2 4.24Å; F25-V41 HydrophobicContact CD2-CG2 3.69Å; F25-V41 HydrophobicContact CE2-CB 4.41Å; F25-V41 HydrophobicContact CE2-CG2 3.57Å; F25-V41 HydrophobicContact CG-CG2 4.45Å; F25-V41 HydrophobicContact CZ-CG2 4.25Å; F25-A71 HydrophobicContact CD1-CB 4.22Å; F25-A71 HydrophobicContact CE1-CB 4.25Å; F25-I75 HydrophobicContact CE1-CD1 4.09Å; F25-I75 HydrophobicContact CE1-CG1 4.17Å; F25-I75 HydrophobicContact CZ-CD1 4.41Å; F25-I75 HydrophobicContact CZ-CG1 4.18Å |
| 26 | V | 87.7 | Confident | 82.6 | Confident | 18 Ų | 18 | 59.1 Ų | 59.1 | 11% | 0.109 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.8 | -35.5 | -179.7 | 173.2 | 0 | 0 | 0 | 0 | 112.8 | L22 V23 K70 A71 | L22-V26 HydrophobicContact CD2-CG2 4.27Å; L22-V26 WeakPolarHBondContact O-CG2 2.98Å; L22-V26 PolarHBondContact O-N 3.31Å; V23-V26 PolarHBondContact O-N 3.41Å; V23-V26 VanDerWaalsContact O-N 3.15Å; V26-K70 HydrophobicContact CG1-CB 4.06Å; V26-K70 HydrophobicContact CG1-CD 3.5Å; V26-K70 VanDerWaalsContact CG1-CD 3.5Å; V26-K70 HydrophobicContact CG1-CG 3.75Å; V26-K70 HydrophobicContact CG2-CB 4.41Å; V26-A71 HydrophobicContact CG2-CB 3.81Å |
| 27 | E | 85.4 | Confident | 82.6 | Confident | 152 Ų | 152 | 60.1 Ų | 60.1 | 71% | 0.71 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -77.4 | -27.8 | 177.6 | -71.6 | 178.2 | 172.4 | 0 | 0 | 113.2 | V23 N24 F25 | V23-E27 HydrophobicContact CG1-CG 4.34Å; V23-E27 WeakPolarHBondContact O-CB 3.48Å; V23-E27 WeakPolarHBondContact O-CG 3.43Å; V23-E27 PolarHBondContact O-N 2.9Å; N24-E27 PolarHBondContact O-N 2.99Å; F25-E27 VanDerWaalsContact C-N 3.29Å; F25-E27 PolarHBondContact O-N 3.15Å |
| 28 | S | 83.5 | Confident | 82.7 | Confident | 21 Ų | 21 | 56.7 Ų | 56.7 | 15% | 0.147 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -79.6 | -19.5 | -179.8 | -63.2 | 0 | 0 | 0 | 0 | 113.5 | R11 N24 F25 T30 F37 | R11-S28 PolarHBondContact NH2-OG 3.37Å; R11-S28 VanDerWaalsContact NH2-OG 3.13Å; N24-S28 WeakPolarHBondContact O-CB 3.49Å; N24-S28 PolarHBondContact O-N 3.38Å; N24-S28 PolarHBondContact O-OG 2.95Å; N24-S28 PolarHBondContact OD1-OG 3.5Å; N24-S28 VanDerWaalsContact OD1-OG 3.11Å; F25-S28 PolarHBondContact O-N 3.29Å; S28-T30 PolarHBondContact O-N 2.83Å; S28-F37 WeakPolarHBondContact O-CE2 3.11Å |
| 29 | I | 82.2 | Confident | 82.6 | Confident | 33 Ų | 33 | 55.1 Ų | 55.1 | 17% | 0.169 | 29% | 0.294 | C | S | . | . | trans | -71.4 | 114.4 | -175.3 | -70.2 | 159.6 | 0 | 0 | 0 | 110.4 | F25 V34 F37 I74 | F25-I29 HydrophobicContact CD1-CD1 3.89Å; F25-I29 HydrophobicContact CD2-CD1 4.06Å; F25-I29 HydrophobicContact CD2-CG1 4.36Å; F25-I29 HydrophobicContact CE1-CD1 3.53Å; F25-I29 HydrophobicContact CE2-CD1 3.7Å; F25-I29 HydrophobicContact CE2-CG1 4.11Å; F25-I29 HydrophobicContact CG-CD1 4.15Å; F25-I29 HydrophobicContact CZ-CD1 3.43Å; F25-I29 VanDerWaalsContact CZ-CD1 3.43Å; F25-I29 HydrophobicContact CZ-CG1 4.31Å; F25-I29 WeakPolarHBondContact O-CD1 3.21Å; F25-I29 WeakPolarHBondContact O-CG1 3.32Å; F25-I29 PolarHBondContact O-N 3.1Å; I29-V34 HydrophobicContact CG2-CB 4.2Å; I29-V34 HydrophobicContact CG2-CG1 3.99Å; I29-V34 HydrophobicContact CG2-CG2 3.72Å; I29-F37 HydrophobicContact CG1-CD2 4.36Å; I29-I74 HydrophobicContact CD1-CD1 3.74Å; I29-I74 HydrophobicContact CD1-CG2 4.28Å | ||
| 30 | T | 74.6 | Confident | 82.3 | Confident | 68 Ų | 68 | 55.8 Ų | 55.8 | 42% | 0.417 | 30% | 0.298 | S | S | . | . | trans | -100.7 | 156.3 | 164.3 | 63.2 | 0 | 0 | 0 | 0 | 108.9 | S28 E32 D33 V34 | S28-T30 PolarHBondContact O-N 2.83Å; T30-E32 PolarHBondContact O-N 2.91Å; T30-E32 VanDerWaalsContact O-N 3.09Å; T30-D33 PolarHBondContact O-N 3.09Å; T30-D33 WeakPolarHBondContact OG1-CB 3.28Å; T30-D33 VanDerWaalsContact OG1-CG 3.29Å; T30-D33 PolarHBondContact OG1-N 2.84Å; T30-D33 PolarHBondContact OG1-OD2 3.23Å; T30-V34 WeakPolarHBondContact O-CG2 3.2Å; T30-V34 PolarHBondContact O-N 2.91Å | ||
| 31 | D | 69 | Low | 82.1 | Confident | 167 Ų | 167 | 52.2 Ų | 52.2 | 89% | 0.893 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -23.1 | 178.9 | -78.6 | -24.9 | 0 | 0 | 0 | 113.1 | ||
| 32 | E | 73.1 | Confident | 82 | Confident | 183 Ų | 183 | 51.6 Ų | 51.6 | 86% | 0.855 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -34.7 | 179.4 | -63.9 | -176 | 174.7 | 0 | 0 | 112.9 | T30 | T30-E32 PolarHBondContact O-N 2.91Å; T30-E32 VanDerWaalsContact O-N 3.09Å |
| 33 | D | 78.2 | Confident | 81.5 | Confident | 59 Ų | 59 | 55.2 Ų | 55.2 | 32% | 0.316 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -2.1 | -171.8 | -57.4 | -43 | 0 | 0 | 0 | 113.7 | T30 D35 E36 F37 | T30-D33 PolarHBondContact O-N 3.09Å; T30-D33 WeakPolarHBondContact OG1-CB 3.28Å; T30-D33 VanDerWaalsContact OG1-CG 3.29Å; T30-D33 PolarHBondContact OG1-N 2.84Å; T30-D33 PolarHBondContact OG1-OD2 3.23Å; D33-D35 VanDerWaalsContact C-N 3.3Å; D33-D35 PolarHBondContact O-N 3.17Å; D33-E36 PolarHBondContact O-N 3.23Å; D33-F37 HydrophobicContact CB-CD2 3.76Å; D33-F37 HydrophobicContact CB-CE2 3.34Å; D33-F37 HydrophobicContact CB-CZ 3.79Å; D33-F37 WeakPolarHBondContact O-CD2 3.35Å; D33-F37 PolarHBondContact O-N 2.8Å |
| 34 | V | 81.1 | Confident | 80.8 | Confident | 13 Ų | 13 | 55.1 Ų | 55.1 | 8% | 0.079 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -53 | -47.2 | -172.6 | -165.4 | 0 | 0 | 0 | 0 | 111.9 | I29 T30 F37 V38 I74 K78 | I29-V34 HydrophobicContact CG2-CB 4.2Å; I29-V34 HydrophobicContact CG2-CG1 3.99Å; I29-V34 HydrophobicContact CG2-CG2 3.72Å; T30-V34 WeakPolarHBondContact O-CG2 3.2Å; T30-V34 PolarHBondContact O-N 2.91Å; V34-F37 PolarHBondContact O-N 3.06Å; V34-V38 HydrophobicContact CG1-CG2 4.19Å; V34-V38 WeakPolarHBondContact O-CB 3.33Å; V34-V38 WeakPolarHBondContact O-CG2 3.21Å; V34-V38 PolarHBondContact O-N 3.37Å; V34-I74 HydrophobicContact CG1-CG2 3.7Å; V34-K78 HydrophobicContact CG1-CG 4.07Å |
| 35 | D | 80.7 | Confident | 80.2 | Confident | 63 Ų | 63 | 54.9 Ų | 54.9 | 34% | 0.337 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -70.9 | -38.6 | -172.9 | -66.7 | -12.4 | 0 | 0 | 0 | 111.1 | D33 V39 K78 | D33-D35 VanDerWaalsContact C-N 3.3Å; D33-D35 PolarHBondContact O-N 3.17Å; D35-V39 WeakPolarHBondContact O-CB 3.39Å; D35-V39 WeakPolarHBondContact O-CG2 3.18Å; D35-V39 PolarHBondContact O-N 2.92Å; D35-K78 VanDerWaalsContact OD1-CD 3.28Å; D35-K78 WeakPolarHBondContact OD1-CD 3.5Å; D35-K78 WeakPolarHBondContact OD1-CE 3.29Å; D35-K78 IonicContact OD1-NZ 3.48Å; D35-K78 PolarHBondContact OD1-NZ 3.05Å; D35-K78 IonicContact OD2-NZ 3.19Å |
| 36 | E | 81.5 | Confident | 79.8 | Confident | 84 Ų | 84 | 55.9 Ų | 55.9 | 39% | 0.393 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63 | -49.6 | 175.1 | -172.7 | 177.1 | 160.4 | 0 | 0 | 110.2 | R8 D33 V38 V39 D40 | R8-E36 IonicContact NH1-OE1 2.85Å; R8-E36 PolarHBondContact NH1-OE1 3.43Å; R8-E36 IonicContact NH1-OE2 3.85Å; D33-E36 PolarHBondContact O-N 3.23Å; E36-V38 PolarHBondContact O-N 2.97Å; E36-V39 PolarHBondContact O-N 3.49Å; E36-D40 PolarHBondContact O-N 3.43Å |
| 37 | F | 83.2 | Confident | 79.7 | Confident | 22 Ų | 22 | 55.2 Ų | 55.2 | 10% | 0.096 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.5 | -36.6 | -179.6 | -64.8 | -32.1 | 0 | 0 | 0 | 113.4 | F12 F25 S28 I29 D33 V34 D40 V41 | F12-F37 HydrophobicContact CE2-CB 4.45Å; F12-F37 AromaticContact CE2-CD1 3.97Å; F12-F37 HydrophobicContact CE2-CD1 3.97Å; F12-F37 HydrophobicContact CE2-CG 4.26Å; F25-F37 HydrophobicContact CE2-CB 4.04Å; S28-F37 WeakPolarHBondContact O-CE2 3.11Å; I29-F37 HydrophobicContact CG1-CD2 4.36Å; D33-F37 HydrophobicContact CB-CD2 3.76Å; D33-F37 HydrophobicContact CB-CE2 3.34Å; D33-F37 HydrophobicContact CB-CZ 3.79Å; D33-F37 WeakPolarHBondContact O-CD2 3.35Å; D33-F37 PolarHBondContact O-N 2.8Å; V34-F37 PolarHBondContact O-N 3.06Å; F37-D40 PolarHBondContact O-N 3.09Å; F37-V41 WeakPolarHBondContact O-CB 3.02Å; F37-V41 VanDerWaalsContact O-CG2 3.29Å; F37-V41 WeakPolarHBondContact O-CG2 3.32Å; F37-V41 PolarHBondContact O-N 2.87Å |
| 38 | V | 84.2 | Confident | 79.9 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.1 | -40.5 | 175.2 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | F25 V34 E36 V41 V42 I74 K78 T79 L83 | F25-V38 HydrophobicContact CZ-CG2 4.24Å; V34-V38 HydrophobicContact CG1-CG2 4.19Å; V34-V38 WeakPolarHBondContact O-CB 3.33Å; V34-V38 WeakPolarHBondContact O-CG2 3.21Å; V34-V38 PolarHBondContact O-N 3.37Å; E36-V38 PolarHBondContact O-N 2.97Å; V38-V41 PolarHBondContact O-N 3.33Å; V38-V42 HydrophobicContact CG1-CG2 4.2Å; V38-V42 WeakPolarHBondContact O-CB 3.41Å; V38-V42 WeakPolarHBondContact O-CG2 3.43Å; V38-V42 PolarHBondContact O-N 3.32Å; V38-I74 HydrophobicContact CG2-CG2 3.96Å; V38-K78 HydrophobicContact CG1-CB 4.15Å; V38-K78 HydrophobicContact CG2-CB 4.36Å; V38-K78 HydrophobicContact CG2-CG 4.38Å; V38-T79 HydrophobicContact CG1-CG2 4.17Å; V38-L83 HydrophobicContact CB-CD1 4.26Å; V38-L83 HydrophobicContact CG1-CD1 3.79Å |
| 39 | V | 83.3 | Confident | 80.1 | Confident | 36 Ų | 36 | 52.4 Ų | 52.4 | 22% | 0.218 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 175.3 | 171.6 | 0 | 0 | 0 | 0 | 111 | D35 E36 V41 V42 A43 L83 F87 | D35-V39 WeakPolarHBondContact O-CB 3.39Å; D35-V39 WeakPolarHBondContact O-CG2 3.18Å; D35-V39 PolarHBondContact O-N 2.92Å; E36-V39 PolarHBondContact O-N 3.49Å; V39-V41 PolarHBondContact O-N 3.22Å; V39-V42 PolarHBondContact O-N 3.2Å; V39-A43 VanDerWaalsContact O-CB 3.26Å; V39-A43 WeakPolarHBondContact O-CB 3.26Å; V39-A43 PolarHBondContact O-N 2.93Å; V39-L83 HydrophobicContact CG2-CD1 3.76Å; V39-L83 HydrophobicContact CG2-CD2 3.79Å; V39-L83 HydrophobicContact CG2-CG 4.45Å; V39-F87 HydrophobicContact CG1-CE2 4.42Å; V39-F87 HydrophobicContact CG2-CE2 4.23Å |
| 40 | D | 80.8 | Confident | 80.6 | Confident | 43 Ų | 43 | 50.8 Ų | 50.8 | 23% | 0.23 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.5 | -44.1 | 178.4 | -77.4 | -11.1 | 0 | 0 | 0 | 112 | E36 F37 A43 G44 | E36-D40 PolarHBondContact O-N 3.43Å; F37-D40 PolarHBondContact O-N 3.09Å; D40-A43 PolarHBondContact O-N 3.13Å; D40-G44 PolarHBondContact O-N 3.48Å; D40-G44 VanDerWaalsContact O-N 3.13Å |
| 41 | V | 83.1 | Confident | 81.4 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.012 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.6 | -48.3 | 176.9 | 160 | 0 | 0 | 0 | 0 | 111.2 | F12 I15 F25 F37 V38 V39 G44 V47 I75 | F12-V41 HydrophobicContact CB-CG2 3.64Å; F12-V41 HydrophobicContact CD2-CG2 3.98Å; F12-V41 HydrophobicContact CG-CG2 3.95Å; I15-V41 HydrophobicContact CD1-CB 4.44Å; I15-V41 HydrophobicContact CD1-CG1 3.77Å; I15-V41 HydrophobicContact CD1-CG2 3.73Å; I15-V41 HydrophobicContact CG2-CG1 4.17Å; F25-V41 HydrophobicContact CD2-CG2 3.69Å; F25-V41 HydrophobicContact CE2-CB 4.41Å; F25-V41 HydrophobicContact CE2-CG2 3.57Å; F25-V41 HydrophobicContact CG-CG2 4.45Å; F25-V41 HydrophobicContact CZ-CG2 4.25Å; F37-V41 WeakPolarHBondContact O-CB 3.02Å; F37-V41 VanDerWaalsContact O-CG2 3.29Å; F37-V41 WeakPolarHBondContact O-CG2 3.32Å; F37-V41 PolarHBondContact O-N 2.87Å; V38-V41 PolarHBondContact O-N 3.33Å; V39-V41 PolarHBondContact O-N 3.22Å; V41-G44 PolarHBondContact O-N 3.16Å; V41-V47 HydrophobicContact CG1-CG1 4.33Å; V41-V47 HydrophobicContact CG1-CG2 3.53Å; V41-V47 WeakPolarHBondContact O-CG2 3.41Å; V41-I75 HydrophobicContact CG1-CD1 4.09Å |
| 42 | V | 82.8 | Confident | 82.4 | Confident | 13 Ų | 13 | 45.4 Ų | 45.4 | 8% | 0.079 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.4 | -38.1 | -179.5 | 179.1 | 0 | 0 | 0 | 0 | 111.8 | V38 V39 G44 G45 V47 I75 T79 F87 V90 | V38-V42 HydrophobicContact CG1-CG2 4.2Å; V38-V42 WeakPolarHBondContact O-CB 3.41Å; V38-V42 WeakPolarHBondContact O-CG2 3.43Å; V38-V42 PolarHBondContact O-N 3.32Å; V39-V42 PolarHBondContact O-N 3.2Å; V42-G44 PolarHBondContact O-N 2.88Å; V42-G45 PolarHBondContact O-N 3.25Å; V42-V47 HydrophobicContact CB-CG2 4.45Å; V42-V47 HydrophobicContact CG2-CG2 4.26Å; V42-I75 HydrophobicContact CG2-CG2 4.38Å; V42-T79 HydrophobicContact CG2-CG2 4.07Å; V42-F87 HydrophobicContact CB-CD1 4.39Å; V42-F87 HydrophobicContact CB-CE1 4.42Å; V42-F87 HydrophobicContact CB-CG 4.46Å; V42-F87 HydrophobicContact CG1-CB 4.15Å; V42-F87 HydrophobicContact CG1-CD1 3.32Å; V42-F87 HydrophobicContact CG1-CD2 4.19Å; V42-F87 HydrophobicContact CG1-CE1 3.62Å; V42-F87 HydrophobicContact CG1-CE2 4.45Å; V42-F87 HydrophobicContact CG1-CG 3.64Å; V42-F87 HydrophobicContact CG1-CZ 4.18Å; V42-V90 HydrophobicContact CG1-CB 4.46Å; V42-V90 HydrophobicContact CG1-CG1 4.31Å; V42-V90 HydrophobicContact CG1-CG2 3.96Å |
| 43 | A | 77.7 | Confident | 83.2 | Confident | 76 Ų | 76 | 37.1 Ų | 37.1 | 63% | 0.628 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -64.6 | -25.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | V39 D40 G45 | V39-A43 VanDerWaalsContact O-CB 3.26Å; V39-A43 WeakPolarHBondContact O-CB 3.26Å; V39-A43 PolarHBondContact O-N 2.93Å; D40-A43 PolarHBondContact O-N 3.13Å; A43-G45 PolarHBondContact O-N 3.23Å |
| 44 | G | 72.4 | Confident | 83.9 | Confident | 37 Ų | 37 | 34.6 Ų | 34.6 | 38% | 0.381 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -16.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | D40 V41 V42 D46 | D40-G44 PolarHBondContact O-N 3.48Å; D40-G44 VanDerWaalsContact O-N 3.13Å; V41-G44 PolarHBondContact O-N 3.16Å; V42-G44 PolarHBondContact O-N 2.88Å; G44-D46 PolarHBondContact O-N 3.21Å; G44-D46 VanDerWaalsContact O-N 3.16Å |
| 45 | G | 72.1 | Confident | 84.2 | Confident | 63 Ų | 63 | 37.9 Ų | 37.9 | 65% | 0.649 | 23% | 0.228 | S | C | * | . | S | Bend | trans | 77.6 | -15.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | V42 A43 V47 | V42-G45 PolarHBondContact O-N 3.25Å; A43-G45 PolarHBondContact O-N 3.23Å; G45-V47 VanDerWaalsContact C-N 3.32Å; G45-V47 PolarHBondContact O-N 3.49Å |
| 46 | D | 79.3 | Confident | 84.5 | Confident | 21 Ų | 21 | 37.9 Ų | 37.9 | 11% | 0.112 | 23% | 0.23 | C | C | . | . | trans | -87.4 | 9 | -177.4 | -160.9 | 31.3 | 0 | 0 | 0 | 114.4 | G16 S17 G44 V48 Q49 | G16-D46 WeakPolarHBondContact CA-OD2 3.37Å; G16-D46 PolarHBondContact N-OD2 3.45Å; S17-D46 PolarHBondContact N-OD2 2.6Å; S17-D46 PolarHBondContact OG-OD2 2.92Å; G44-D46 PolarHBondContact O-N 3.21Å; G44-D46 VanDerWaalsContact O-N 3.16Å; D46-V48 PolarHBondContact O-N 2.88Å; D46-Q49 WeakPolarHBondContact O-CB 3.33Å; D46-Q49 PolarHBondContact O-N 3.46Å; D46-Q49 VanDerWaalsContact OD1-CB 3.29Å; D46-Q49 WeakPolarHBondContact OD1-CB 3.39Å; D46-Q49 WeakPolarHBondContact OD1-CG 3.35Å; D46-Q49 PolarHBondContact OD1-NE2 2.99Å | ||
| 47 | V | 86.2 | Confident | 84.5 | Confident | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.018 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -66.5 | -37.8 | -169.3 | -173.3 | 0 | 0 | 0 | 0 | 113.1 | V41 V42 G45 Q49 I50 I75 L94 | V41-V47 HydrophobicContact CG1-CG1 4.33Å; V41-V47 HydrophobicContact CG1-CG2 3.53Å; V41-V47 WeakPolarHBondContact O-CG2 3.41Å; V42-V47 HydrophobicContact CB-CG2 4.45Å; V42-V47 HydrophobicContact CG2-CG2 4.26Å; G45-V47 VanDerWaalsContact C-N 3.32Å; G45-V47 PolarHBondContact O-N 3.49Å; V47-Q49 PolarHBondContact O-N 3.43Å; V47-I50 HydrophobicContact CG1-CD1 4.01Å; V47-I50 VanDerWaalsContact O-CB 3.29Å; V47-I50 WeakPolarHBondContact O-CB 3.29Å; V47-I50 WeakPolarHBondContact O-CD1 3.16Å; V47-I50 WeakPolarHBondContact O-CG1 3.45Å; V47-I50 PolarHBondContact O-N 3.41Å; V47-I50 VanDerWaalsContact O-N 3.14Å; V47-I75 HydrophobicContact CG1-CD1 3.94Å; V47-I75 HydrophobicContact CG1-CG2 3.95Å; V47-L94 HydrophobicContact CG1-CD1 3.91Å; V47-L94 HydrophobicContact CG1-CD2 4.5Å |
| 48 | V | 88.4 | Confident | 84.4 | Confident | 42 Ų | 42 | 41.4 Ų | 41.4 | 26% | 0.255 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -64.2 | -27.2 | 179.7 | -176.8 | 0 | 0 | 0 | 0 | 111.2 | D46 I50 L51 E93 | D46-V48 PolarHBondContact O-N 2.88Å; V48-I50 PolarHBondContact O-N 3.27Å; V48-I50 VanDerWaalsContact O-N 3.15Å; V48-L51 HydrophobicContact CG1-CD1 4.17Å; V48-L51 WeakPolarHBondContact O-CB 3.39Å; V48-L51 WeakPolarHBondContact O-CG 3.45Å; V48-L51 PolarHBondContact O-N 3.38Å; V48-L51 VanDerWaalsContact O-N 3.14Å; V48-E93 HydrophobicContact CG1-CG 4.13Å; V48-E93 HydrophobicContact CG2-CG 4.14Å |
| 49 | Q | 89.1 | Confident | 84.4 | Confident | 72 Ų | 72 | 48.7 Ų | 48.7 | 34% | 0.336 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -67.4 | -13.9 | 178.5 | -63.6 | -160.1 | 43.2 | 0 | 0 | 113.6 | G16 D46 V47 L51 K52 | G16-Q49 CarbonylContact O-C 3.59Å; D46-Q49 WeakPolarHBondContact O-CB 3.33Å; D46-Q49 PolarHBondContact O-N 3.46Å; D46-Q49 VanDerWaalsContact OD1-CB 3.29Å; D46-Q49 WeakPolarHBondContact OD1-CB 3.39Å; D46-Q49 WeakPolarHBondContact OD1-CG 3.35Å; D46-Q49 PolarHBondContact OD1-NE2 2.99Å; V47-Q49 PolarHBondContact O-N 3.43Å; Q49-L51 PolarHBondContact O-N 2.9Å; Q49-L51 VanDerWaalsContact O-N 3.08Å; Q49-K52 HydrophobicContact CB-CD 4.24Å; Q49-K52 VanDerWaalsContact CD-NZ 3.35Å; Q49-K52 HydrophobicContact CG-CD 4.42Å; Q49-K52 VanDerWaalsContact O-CB 3.25Å; Q49-K52 WeakPolarHBondContact O-CB 3.41Å; Q49-K52 WeakPolarHBondContact O-CG 3.27Å; Q49-K52 PolarHBondContact O-N 3.19Å |
| 50 | I | 91.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -53.1 | -31.4 | 170.2 | -63.9 | 174.5 | 0 | 0 | 0 | 111.2 | I15 L22 V47 V48 K52 F53 V68 L72 I75 | I15-I50 HydrophobicContact CD1-CD1 4.33Å; I15-I50 HydrophobicContact CG1-CD1 4.25Å; I15-I50 HydrophobicContact CG2-CD1 4.44Å; L22-I50 HydrophobicContact CD1-CB 4.34Å; L22-I50 HydrophobicContact CD1-CD1 4.14Å; L22-I50 HydrophobicContact CD1-CG1 3.9Å; L22-I50 HydrophobicContact CD1-CG2 3.67Å; V47-I50 HydrophobicContact CG1-CD1 4.01Å; V47-I50 VanDerWaalsContact O-CB 3.29Å; V47-I50 WeakPolarHBondContact O-CB 3.29Å; V47-I50 WeakPolarHBondContact O-CD1 3.16Å; V47-I50 WeakPolarHBondContact O-CG1 3.45Å; V47-I50 PolarHBondContact O-N 3.41Å; V47-I50 VanDerWaalsContact O-N 3.14Å; V48-I50 PolarHBondContact O-N 3.27Å; V48-I50 VanDerWaalsContact O-N 3.15Å; I50-K52 PolarHBondContact O-N 3.18Å; I50-F53 HydrophobicContact CG2-CD2 4.32Å; I50-F53 WeakPolarHBondContact O-CB 3.43Å; I50-F53 WeakPolarHBondContact O-CD2 2.99Å; I50-F53 PolarHBondContact O-N 3.35Å; I50-F53 VanDerWaalsContact O-N 3.13Å; I50-V68 HydrophobicContact CG2-CG1 4.11Å; I50-L72 HydrophobicContact CB-CD2 4.28Å; I50-L72 HydrophobicContact CG2-CD1 4.45Å; I50-L72 HydrophobicContact CG2-CD2 3.71Å; I50-L72 HydrophobicContact CG2-CG 3.84Å; I50-I75 HydrophobicContact CD1-CD1 3.7Å |
| 51 | L | 92.1 | Very high | 84.8 | Confident | 10 Ų | 10 | 55.2 Ų | 55.2 | 5% | 0.052 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.6 | -28.3 | 176.3 | -64.1 | 174 | 0 | 0 | 0 | 113.3 | V48 Q49 F53 L54 D55 L72 L94 F98 | V48-L51 HydrophobicContact CG1-CD1 4.17Å; V48-L51 WeakPolarHBondContact O-CB 3.39Å; V48-L51 WeakPolarHBondContact O-CG 3.45Å; V48-L51 PolarHBondContact O-N 3.38Å; V48-L51 VanDerWaalsContact O-N 3.14Å; Q49-L51 PolarHBondContact O-N 2.9Å; Q49-L51 VanDerWaalsContact O-N 3.08Å; L51-F53 PolarHBondContact O-N 3.3Å; L51-L54 HydrophobicContact CD2-CD1 4.29Å; L51-L54 WeakPolarHBondContact O-CA 3.18Å; L51-L54 WeakPolarHBondContact O-CB 3.3Å; L51-L54 PolarHBondContact O-N 2.78Å; L51-D55 PolarHBondContact O-N 2.8Å; L51-L72 HydrophobicContact CD2-CD1 4.42Å; L51-L72 HydrophobicContact CD2-CD2 4.28Å; L51-L94 HydrophobicContact CD1-CD2 4.45Å; L51-L94 HydrophobicContact CG-CD2 4.27Å; L51-F98 HydrophobicContact CD2-CB 4.27Å |
| 52 | K | 89.7 | Confident | 84.9 | Confident | 111 Ų | 111 | 57.9 Ų | 57.9 | 48% | 0.483 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.5 | -26.2 | 176.6 | -62.8 | -179.9 | 179.2 | 175.9 | 0 | 112.4 | Q49 I50 L54 D55 T56 | Q49-K52 HydrophobicContact CB-CD 4.24Å; Q49-K52 VanDerWaalsContact CD-NZ 3.35Å; Q49-K52 HydrophobicContact CG-CD 4.42Å; Q49-K52 VanDerWaalsContact O-CB 3.25Å; Q49-K52 WeakPolarHBondContact O-CB 3.41Å; Q49-K52 WeakPolarHBondContact O-CG 3.27Å; Q49-K52 PolarHBondContact O-N 3.19Å; I50-K52 PolarHBondContact O-N 3.18Å; K52-L54 VanDerWaalsContact C-N 3.26Å; K52-L54 PolarHBondContact O-N 3.16Å; K52-D55 PolarHBondContact O-N 3.29Å; K52-T56 PolarHBondContact O-N 3.33Å; K52-T56 PolarHBondContact O-OG1 3.03Å; K52-T56 VanDerWaalsContact O-OG1 3.08Å |
| 53 | F | 91.1 | Very high | 85.1 | Confident | 10 Ų | 10 | 59.6 Ų | 59.6 | 4% | 0.044 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.8 | -28.4 | 173.1 | -59.9 | -49 | 0 | 0 | 0 | 112.3 | I15 G16 I19 L22 I50 L51 T56 G57 R60 V68 | I15-F53 WeakPolarHBondContact O-CE2 3.47Å; G16-F53 WeakPolarHBondContact O-CZ 3.31Å; I19-F53 HydrophobicContact CB-CE1 4.17Å; I19-F53 HydrophobicContact CB-CZ 4.32Å; I19-F53 HydrophobicContact CD1-CD1 4.28Å; I19-F53 HydrophobicContact CD1-CD2 4.07Å; I19-F53 HydrophobicContact CD1-CE1 4.46Å; I19-F53 HydrophobicContact CD1-CE2 4.26Å; I19-F53 HydrophobicContact CD1-CG 4.07Å; I19-F53 HydrophobicContact CD1-CZ 4.44Å; L22-F53 HydrophobicContact CD1-CD2 3.85Å; L22-F53 HydrophobicContact CD1-CE2 3.75Å; I50-F53 HydrophobicContact CG2-CD2 4.32Å; I50-F53 WeakPolarHBondContact O-CB 3.43Å; I50-F53 WeakPolarHBondContact O-CD2 2.99Å; I50-F53 PolarHBondContact O-N 3.35Å; I50-F53 VanDerWaalsContact O-N 3.13Å; L51-F53 PolarHBondContact O-N 3.3Å; F53-T56 PolarHBondContact O-OG1 3.42Å; F53-G57 WeakPolarHBondContact O-CA 3.5Å; F53-G57 PolarHBondContact O-N 3.1Å; F53-R60 WeakPolarHBondContact O-CD 3.47Å; F53-R60 PolarHBondContact O-NE 3.44Å; F53-R60 VanDerWaalsContact O-NE 3.12Å; F53-V68 HydrophobicContact CB-CG1 4.35Å; F53-V68 HydrophobicContact CB-CG2 3.73Å; F53-V68 HydrophobicContact CD2-CG2 4.25Å; F53-V68 HydrophobicContact CG-CG2 4.3Å |
| 54 | L | 91.7 | Very high | 85.7 | Confident | 6 Ų | 6 | 58.5 Ų | 58.5 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -75.8 | -35 | 172.9 | -60.4 | -179.6 | 0 | 0 | 0 | 111.8 | L51 K52 T56 G57 V68 F69 L72 F98 R103 L106 | L51-L54 HydrophobicContact CD2-CD1 4.29Å; L51-L54 WeakPolarHBondContact O-CA 3.18Å; L51-L54 WeakPolarHBondContact O-CB 3.3Å; L51-L54 PolarHBondContact O-N 2.78Å; K52-L54 VanDerWaalsContact C-N 3.26Å; K52-L54 PolarHBondContact O-N 3.16Å; L54-T56 VanDerWaalsContact C-N 3.26Å; L54-T56 PolarHBondContact O-N 3.29Å; L54-G57 WeakPolarHBondContact O-CA 3.09Å; L54-G57 PolarHBondContact O-N 3.21Å; L54-V68 HydrophobicContact CD2-CB 4.45Å; L54-V68 HydrophobicContact CD2-CG1 3.56Å; L54-V68 HydrophobicContact CG-CG1 3.91Å; L54-F69 HydrophobicContact CD2-CD1 4.12Å; L54-F69 HydrophobicContact CD2-CE1 3.61Å; L54-L72 HydrophobicContact CD1-CD1 3.73Å; L54-L72 HydrophobicContact CG-CD1 4.45Å; L54-F98 HydrophobicContact CD1-CD2 3.84Å; L54-F98 HydrophobicContact CD1-CE2 4.4Å; L54-R103 HydrophobicContact CB-CB 4.19Å; L54-R103 HydrophobicContact CB-CG 3.87Å; L54-R103 HydrophobicContact CD1-CB 4.15Å; L54-R103 HydrophobicContact CD1-CG 4.46Å; L54-L106 HydrophobicContact CB-CD2 4.35Å; L54-L106 HydrophobicContact CD2-CD2 4.23Å; L54-L106 VanDerWaalsContact O-CD2 3.26Å; L54-L106 WeakPolarHBondContact O-CD2 3.39Å |
| 55 | D | 88.7 | Confident | 86.6 | Confident | 81 Ų | 81 | 57.2 Ų | 57.2 | 43% | 0.433 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.9 | -36.7 | 176.1 | -64.4 | -27.9 | 0 | 0 | 0 | 111.7 | L51 K52 G57 R103 | L51-D55 PolarHBondContact O-N 2.8Å; K52-D55 PolarHBondContact O-N 3.29Å; D55-G57 VanDerWaalsContact C-N 3.31Å; D55-R103 WeakPolarHBondContact OD1-CG 3.4Å; D55-R103 IonicContact OD1-CZ 2.8Å; D55-R103 IonicContact OD1-NE 3.78Å; D55-R103 PolarHBondContact OD1-NE 3.39Å; D55-R103 IonicContact OD1-NH2 2.95Å; D55-R103 PolarHBondContact OD1-NH2 3.44Å; D55-R103 IonicContact OD2-CZ 3.82Å; D55-R103 IonicContact OD2-NE 2.83Å; D55-R103 IonicContact OD2-NH2 2.6Å; D55-R103 PolarHBondContact OD2-NH2 2.93Å |
| 56 | T | 85.9 | Confident | 87.6 | Confident | 63 Ų | 63 | 55.8 Ų | 55.8 | 39% | 0.387 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 9.5 | 173 | 51.7 | 0 | 0 | 0 | 0 | 113.4 | K52 F53 L54 Q58 D59 R60 | K52-T56 PolarHBondContact O-N 3.33Å; K52-T56 PolarHBondContact O-OG1 3.03Å; K52-T56 VanDerWaalsContact O-OG1 3.08Å; F53-T56 PolarHBondContact O-OG1 3.42Å; L54-T56 VanDerWaalsContact C-N 3.26Å; L54-T56 PolarHBondContact O-N 3.29Å; T56-Q58 VanDerWaalsContact C-N 3.28Å; T56-Q58 PolarHBondContact O-N 3.1Å; T56-D59 PolarHBondContact O-N 3.22Å; T56-R60 PolarHBondContact OG1-NE 3.2Å; T56-R60 PolarHBondContact OG1-NH2 3.32Å |
| 57 | G | 82.2 | Confident | 88.2 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -71.9 | -15 | -165.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | F53 L54 D55 D59 R60 | F53-G57 WeakPolarHBondContact O-CA 3.5Å; F53-G57 PolarHBondContact O-N 3.1Å; L54-G57 WeakPolarHBondContact O-CA 3.09Å; L54-G57 PolarHBondContact O-N 3.21Å; D55-G57 VanDerWaalsContact C-N 3.31Å; G57-D59 PolarHBondContact O-N 3Å; G57-R60 PolarHBondContact O-N 3.36Å |
| 58 | Q | 80.9 | Confident | 88.6 | Confident | 179 Ų | 179 | 55 Ų | 55 | 84% | 0.836 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -66.9 | -28.1 | 174 | -65.3 | -161.4 | 5.3 | 0 | 0 | 112.8 | T56 | T56-Q58 VanDerWaalsContact C-N 3.28Å; T56-Q58 PolarHBondContact O-N 3.1Å |
| 59 | D | 83.6 | Confident | 88.9 | Confident | 152 Ų | 152 | 53 Ų | 53 | 81% | 0.813 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -91.3 | -4.4 | -178.7 | -56.9 | -43.7 | 0 | 0 | 0 | 112.6 | T56 G57 | T56-D59 PolarHBondContact O-N 3.22Å; G57-D59 PolarHBondContact O-N 3Å |
| 60 | R | 84.6 | Confident | 89.1 | Confident | 59 Ų | 59 | 52.9 Ų | 52.9 | 22% | 0.223 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -90.4 | 148.1 | -172.5 | -68 | -171.4 | -179.4 | -79 | -8.1 | 113.1 | F53 T56 G57 E64 L65 | F53-R60 WeakPolarHBondContact O-CD 3.47Å; F53-R60 PolarHBondContact O-NE 3.44Å; F53-R60 VanDerWaalsContact O-NE 3.12Å; T56-R60 PolarHBondContact OG1-NE 3.2Å; T56-R60 PolarHBondContact OG1-NH2 3.32Å; G57-R60 PolarHBondContact O-N 3.36Å; R60-E64 HydrophobicContact CB-CB 4.35Å; R60-E64 WeakPolarHBondContact CG-OE2 3.24Å; R60-E64 IonicContact NH1-OE2 2.75Å; R60-E64 PolarHBondContact NH1-OE2 3.48Å; R60-L65 HydrophobicContact CB-CD2 4.14Å; R60-L65 HydrophobicContact CB-CG 4.09Å |
| 61 | K | 87.9 | Confident | 89.2 | Confident | 157 Ų | 157 | 52.9 Ų | 52.9 | 68% | 0.683 | 28% | 0.278 | S | S | * | . | trans | -69.2 | 152.3 | 172.8 | -65.4 | 176.6 | -175.6 | 170.6 | 0 | 110.4 | G63 E64 L65 | K61-G63 PolarHBondContact O-N 3.16Å; K61-G63 VanDerWaalsContact O-N 3.15Å; K61-E64 PolarHBondContact O-N 2.95Å; K61-L65 PolarHBondContact O-N 2.94Å; K61-L65 VanDerWaalsContact O-N 3.14Å | ||
| 62 | A | 85.5 | Confident | 89.3 | Confident | 58 Ų | 58 | 52.4 Ų | 52.4 | 48% | 0.479 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57.2 | -32.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L66 I119 | A62-L66 WeakPolarHBondContact O-CB 3.39Å; A62-L66 PolarHBondContact O-N 3.06Å; A62-I119 HydrophobicContact CB-CD1 3.89Å |
| 63 | G | 86.8 | Confident | 89.6 | Confident | 50 Ų | 50 | 49.5 Ų | 49.5 | 52% | 0.515 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -69.3 | -35.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | K61 L66 A67 | K61-G63 PolarHBondContact O-N 3.16Å; K61-G63 VanDerWaalsContact O-N 3.15Å; G63-L66 WeakPolarHBondContact O-CB 3.46Å; G63-L66 PolarHBondContact O-N 2.58Å; G63-A67 PolarHBondContact O-N 2.6Å; G63-A67 VanDerWaalsContact O-N 3.14Å |
| 64 | E | 90 | Very high | 89.6 | Confident | 53 Ų | 53 | 50 Ų | 50 | 25% | 0.248 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.5 | -45.3 | 175 | -67.8 | 172.7 | -151.8 | 0 | 0 | 110.7 | I19 R60 K61 L66 A67 V68 | I19-E64 HydrophobicContact CG1-CB 4.27Å; I19-E64 HydrophobicContact CG1-CG 4.21Å; R60-E64 HydrophobicContact CB-CB 4.35Å; R60-E64 WeakPolarHBondContact CG-OE2 3.24Å; R60-E64 IonicContact NH1-OE2 2.75Å; R60-E64 PolarHBondContact NH1-OE2 3.48Å; K61-E64 PolarHBondContact O-N 2.95Å; E64-L66 VanDerWaalsContact C-N 3.26Å; E64-L66 PolarHBondContact O-N 3.03Å; E64-A67 WeakPolarHBondContact O-CB 3.29Å; E64-A67 PolarHBondContact O-N 3.02Å; E64-A67 VanDerWaalsContact O-N 3.13Å; E64-V68 WeakPolarHBondContact O-CG2 3.47Å; E64-V68 PolarHBondContact O-N 2.94Å |
| 65 | L | 91.6 | Very high | 89.6 | Confident | 9 Ų | 9 | 49.7 Ų | 49.7 | 5% | 0.047 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.7 | -37.4 | 175.9 | -68.7 | 177.4 | 0 | 0 | 0 | 112.1 | R60 K61 V68 F69 L106 T110 | R60-L65 HydrophobicContact CB-CD2 4.14Å; R60-L65 HydrophobicContact CB-CG 4.09Å; K61-L65 PolarHBondContact O-N 2.94Å; K61-L65 VanDerWaalsContact O-N 3.14Å; L65-V68 PolarHBondContact O-N 3.43Å; L65-F69 HydrophobicContact CB-CE2 4.38Å; L65-F69 WeakPolarHBondContact O-CD2 3.27Å; L65-F69 VanDerWaalsContact O-CG 3.24Å; L65-F69 WeakPolarHBondContact O-CG 3.44Å; L65-F69 PolarHBondContact O-N 3.14Å; L65-L106 HydrophobicContact CD2-CD2 4.17Å; L65-T110 HydrophobicContact CD1-CG2 4.28Å |
| 66 | L | 92.7 | Very high | 89.8 | Confident | 33 Ų | 33 | 45.9 Ų | 45.9 | 17% | 0.173 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59 | -47.7 | 173.5 | 175 | 60.6 | 0 | 0 | 0 | 111.4 | A62 G63 E64 F69 K70 E118 I119 T122 | A62-L66 WeakPolarHBondContact O-CB 3.39Å; A62-L66 PolarHBondContact O-N 3.06Å; G63-L66 WeakPolarHBondContact O-CB 3.46Å; G63-L66 PolarHBondContact O-N 2.58Å; E64-L66 VanDerWaalsContact C-N 3.26Å; E64-L66 PolarHBondContact O-N 3.03Å; L66-F69 PolarHBondContact O-N 3.15Å; L66-K70 VanDerWaalsContact O-CB 3.29Å; L66-K70 WeakPolarHBondContact O-CB 3.24Å; L66-K70 PolarHBondContact O-N 2.84Å; L66-E118 HydrophobicContact CD1-CB 4.32Å; L66-E118 HydrophobicContact CD1-CG 4.02Å; L66-E118 HydrophobicContact CD2-CB 4.2Å; L66-E118 HydrophobicContact CD2-CG 4.01Å; L66-I119 HydrophobicContact CB-CG1 4.07Å; L66-I119 HydrophobicContact CD1-CG1 4.03Å; L66-I119 HydrophobicContact CD2-CG1 4.47Å; L66-I119 HydrophobicContact CG-CG1 4.43Å; L66-T122 HydrophobicContact CD1-CG2 3.62Å; L66-T122 VanDerWaalsContact CD1-OG1 3.24Å; L66-T122 WeakPolarHBondContact CD1-OG1 3.46Å |
| 67 | A | 92.4 | Very high | 90.1 | Very high | 9 Ų | 9 | 44.3 Ų | 44.3 | 7% | 0.074 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.8 | -45 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L22 V23 G63 E64 F69 K70 A71 | L22-A67 VanDerWaalsContact CD2-C 3.4Å; L22-A67 HydrophobicContact CD2-CB 3.76Å; L22-A67 WeakPolarHBondContact CD2-O 3.37Å; V23-A67 HydrophobicContact CG2-CB 3.69Å; G63-A67 PolarHBondContact O-N 2.6Å; G63-A67 VanDerWaalsContact O-N 3.14Å; E64-A67 WeakPolarHBondContact O-CB 3.29Å; E64-A67 PolarHBondContact O-N 3.02Å; E64-A67 VanDerWaalsContact O-N 3.13Å; A67-F69 PolarHBondContact O-N 3.37Å; A67-K70 PolarHBondContact O-N 3.49Å; A67-A71 WeakPolarHBondContact O-CB 3.38Å; A67-A71 PolarHBondContact O-N 3.29Å |
| 68 | V | 94.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.8 | -48.9 | 177.4 | 178.2 | 0 | 0 | 0 | 0 | 111.5 | I19 L22 I50 F53 L54 E64 L65 K70 A71 L72 | I19-V68 HydrophobicContact CD1-CG2 3.63Å; L22-V68 HydrophobicContact CD2-CG2 4.38Å; I50-V68 HydrophobicContact CG2-CG1 4.11Å; F53-V68 HydrophobicContact CB-CG1 4.35Å; F53-V68 HydrophobicContact CB-CG2 3.73Å; F53-V68 HydrophobicContact CD2-CG2 4.25Å; F53-V68 HydrophobicContact CG-CG2 4.3Å; L54-V68 HydrophobicContact CD2-CB 4.45Å; L54-V68 HydrophobicContact CD2-CG1 3.56Å; L54-V68 HydrophobicContact CG-CG1 3.91Å; E64-V68 WeakPolarHBondContact O-CG2 3.47Å; E64-V68 PolarHBondContact O-N 2.94Å; L65-V68 PolarHBondContact O-N 3.43Å; V68-K70 VanDerWaalsContact C-N 3.32Å; V68-K70 PolarHBondContact O-N 3.42Å; V68-A71 PolarHBondContact O-N 2.96Å; V68-L72 HydrophobicContact CG1-CD1 4.03Å; V68-L72 HydrophobicContact CG1-CG 4.5Å; V68-L72 WeakPolarHBondContact O-CB 3.43Å; V68-L72 WeakPolarHBondContact O-CG 3.37Å; V68-L72 PolarHBondContact O-N 3.13Å |
| 69 | F | 95.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.6 | -40.6 | 178.5 | -63.8 | -26.1 | 0 | 0 | 0 | 112.1 | L54 L65 L66 A67 Y73 C107 T110 L126 | L54-F69 HydrophobicContact CD2-CD1 4.12Å; L54-F69 HydrophobicContact CD2-CE1 3.61Å; L65-F69 HydrophobicContact CB-CE2 4.38Å; L65-F69 WeakPolarHBondContact O-CD2 3.27Å; L65-F69 VanDerWaalsContact O-CG 3.24Å; L65-F69 WeakPolarHBondContact O-CG 3.44Å; L65-F69 PolarHBondContact O-N 3.14Å; L66-F69 PolarHBondContact O-N 3.15Å; A67-F69 PolarHBondContact O-N 3.37Å; F69-Y73 VanDerWaalsContact O-CB 3.24Å; F69-Y73 WeakPolarHBondContact O-CB 3.43Å; F69-Y73 PolarHBondContact O-N 3.35Å; F69-C107 HydrophobicContact CE1-CB 4.22Å; F69-C107 HydrophobicContact CZ-CB 4.13Å; F69-T110 HydrophobicContact CE2-CG2 3.99Å; F69-L126 HydrophobicContact CB-CD2 4.19Å; F69-L126 HydrophobicContact CD1-CD2 3.91Å; F69-L126 HydrophobicContact CG-CD2 4.31Å |
| 70 | K | 93.7 | Very high | 90.9 | Very high | 69 Ų | 69 | 31.4 Ų | 31.4 | 30% | 0.3 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -67.6 | -42.6 | 179.2 | -169.8 | 161.4 | 172.3 | -178.2 | 0 | 111.7 | V26 L66 A67 V68 Y73 I74 T122 | V26-K70 HydrophobicContact CG1-CB 4.06Å; V26-K70 HydrophobicContact CG1-CD 3.5Å; V26-K70 VanDerWaalsContact CG1-CD 3.5Å; V26-K70 HydrophobicContact CG1-CG 3.75Å; V26-K70 HydrophobicContact CG2-CB 4.41Å; L66-K70 VanDerWaalsContact O-CB 3.29Å; L66-K70 WeakPolarHBondContact O-CB 3.24Å; L66-K70 PolarHBondContact O-N 2.84Å; A67-K70 PolarHBondContact O-N 3.49Å; V68-K70 VanDerWaalsContact C-N 3.32Å; V68-K70 PolarHBondContact O-N 3.42Å; K70-Y73 PolarHBondContact O-N 3.12Å; K70-I74 HydrophobicContact CG-CD1 3.94Å; K70-I74 VanDerWaalsContact O-CG1 3.26Å; K70-I74 WeakPolarHBondContact O-CG1 3.25Å; K70-I74 PolarHBondContact O-N 3.02Å; K70-T122 HydrophobicContact CB-CG2 4.01Å; K70-T122 HydrophobicContact CD-CG2 4.16Å; K70-T122 HydrophobicContact CG-CG2 4.24Å |
| 71 | A | 92.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.2 | -50.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L22 F25 V26 A67 V68 Y73 I74 I75 | L22-A71 HydrophobicContact CD1-CB 4.07Å; L22-A71 HydrophobicContact CD2-CB 3.77Å; L22-A71 HydrophobicContact CG-CB 3.88Å; F25-A71 HydrophobicContact CD1-CB 4.22Å; F25-A71 HydrophobicContact CE1-CB 4.25Å; V26-A71 HydrophobicContact CG2-CB 3.81Å; A67-A71 WeakPolarHBondContact O-CB 3.38Å; A67-A71 PolarHBondContact O-N 3.29Å; V68-A71 PolarHBondContact O-N 2.96Å; A71-Y73 VanDerWaalsContact C-N 3.33Å; A71-Y73 PolarHBondContact O-N 3.2Å; A71-I74 PolarHBondContact O-N 3.33Å; A71-I75 WeakPolarHBondContact O-CB 3.48Å; A71-I75 WeakPolarHBondContact O-CD1 3.21Å; A71-I75 WeakPolarHBondContact O-CG1 3.44Å; A71-I75 PolarHBondContact O-N 3.35Å |
| 72 | L | 95.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.1 | -44.4 | 177.6 | -73.9 | 173.6 | 0 | 0 | 0 | 111.9 | I50 L51 L54 V68 I76 L94 F98 L126 | I50-L72 HydrophobicContact CB-CD2 4.28Å; I50-L72 HydrophobicContact CG2-CD1 4.45Å; I50-L72 HydrophobicContact CG2-CD2 3.71Å; I50-L72 HydrophobicContact CG2-CG 3.84Å; L51-L72 HydrophobicContact CD2-CD1 4.42Å; L51-L72 HydrophobicContact CD2-CD2 4.28Å; L54-L72 HydrophobicContact CD1-CD1 3.73Å; L54-L72 HydrophobicContact CG-CD1 4.45Å; V68-L72 HydrophobicContact CG1-CD1 4.03Å; V68-L72 HydrophobicContact CG1-CG 4.5Å; V68-L72 WeakPolarHBondContact O-CB 3.43Å; V68-L72 WeakPolarHBondContact O-CG 3.37Å; V68-L72 PolarHBondContact O-N 3.13Å; L72-I76 HydrophobicContact CB-CD1 4.44Å; L72-I76 VanDerWaalsContact O-CB 3.25Å; L72-I76 WeakPolarHBondContact O-CB 3.29Å; L72-I76 WeakPolarHBondContact O-CD1 3.39Å; L72-I76 WeakPolarHBondContact O-CG1 3.49Å; L72-I76 PolarHBondContact O-N 2.98Å; L72-L94 HydrophobicContact CD2-CD2 4.01Å; L72-F98 HydrophobicContact CD1-CD2 4.45Å; L72-L126 HydrophobicContact CB-CD1 3.7Å; L72-L126 HydrophobicContact CB-CD2 4.37Å; L72-L126 HydrophobicContact CD1-CD2 4.5Å |
| 73 | Y | 94.3 | Very high | 90.4 | Very high | 50 Ų | 50 | 31.1 Ų | 31.1 | 20% | 0.196 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.4 | -53 | 177.4 | 158.3 | -120.6 | 0 | 0 | 0 | 111.6 | F69 K70 A71 I75 L77 Q125 | F69-Y73 VanDerWaalsContact O-CB 3.24Å; F69-Y73 WeakPolarHBondContact O-CB 3.43Å; F69-Y73 PolarHBondContact O-N 3.35Å; K70-Y73 PolarHBondContact O-N 3.12Å; A71-Y73 VanDerWaalsContact C-N 3.33Å; A71-Y73 PolarHBondContact O-N 3.2Å; Y73-I75 PolarHBondContact O-N 3.41Å; Y73-L77 HydrophobicContact CD2-CB 4.4Å; Y73-L77 HydrophobicContact CE2-CB 4.1Å; Y73-L77 HydrophobicContact CE2-CD2 3.66Å; Y73-L77 HydrophobicContact CE2-CG 4.4Å; Y73-L77 VanDerWaalsContact O-CB 3.23Å; Y73-L77 WeakPolarHBondContact O-CB 3.25Å; Y73-L77 PolarHBondContact O-N 3.41Å; Y73-L77 WeakPolarHBondContact OH-CD2 3.23Å; Y73-Q125 HydrophobicContact CD1-CB 3.98Å; Y73-Q125 VanDerWaalsContact CD2-C 3.41Å; Y73-Q125 HydrophobicContact CD2-CB 3.66Å; Y73-Q125 VanDerWaalsContact CD2-O 3.27Å; Y73-Q125 WeakPolarHBondContact CD2-O 3.39Å; Y73-Q125 HydrophobicContact CE1-CB 3.96Å; Y73-Q125 HydrophobicContact CE1-CG 4.31Å; Y73-Q125 HydrophobicContact CE2-CB 3.65Å; Y73-Q125 HydrophobicContact CE2-CG 4.35Å; Y73-Q125 HydrophobicContact CG-CB 3.83Å |
| 74 | I | 91.6 | Very high | 90.1 | Very high | 20 Ų | 20 | 30.9 Ų | 30.9 | 10% | 0.103 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.7 | -48.2 | -177 | -67.9 | 166 | 0 | 0 | 0 | 110.1 | I29 V34 V38 K70 A71 L77 K78 | I29-I74 HydrophobicContact CD1-CD1 3.74Å; I29-I74 HydrophobicContact CD1-CG2 4.28Å; V34-I74 HydrophobicContact CG1-CG2 3.7Å; V38-I74 HydrophobicContact CG2-CG2 3.96Å; K70-I74 HydrophobicContact CG-CD1 3.94Å; K70-I74 VanDerWaalsContact O-CG1 3.26Å; K70-I74 WeakPolarHBondContact O-CG1 3.25Å; K70-I74 PolarHBondContact O-N 3.02Å; A71-I74 PolarHBondContact O-N 3.33Å; I74-L77 PolarHBondContact O-N 3.02Å; I74-K78 HydrophobicContact CG2-CG 4.47Å; I74-K78 WeakPolarHBondContact O-CB 3.29Å; I74-K78 WeakPolarHBondContact O-CG 3.46Å; I74-K78 PolarHBondContact O-N 3.24Å |
| 75 | I | 91.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.3 | -50.4 | -178 | -64.8 | 166.2 | 0 | 0 | 0 | 110.2 | F25 V41 V42 V47 I50 A71 Y73 L77 K78 T79 L94 | F25-I75 HydrophobicContact CE1-CD1 4.09Å; F25-I75 HydrophobicContact CE1-CG1 4.17Å; F25-I75 HydrophobicContact CZ-CD1 4.41Å; F25-I75 HydrophobicContact CZ-CG1 4.18Å; V41-I75 HydrophobicContact CG1-CD1 4.09Å; V42-I75 HydrophobicContact CG2-CG2 4.38Å; V47-I75 HydrophobicContact CG1-CD1 3.94Å; V47-I75 HydrophobicContact CG1-CG2 3.95Å; I50-I75 HydrophobicContact CD1-CD1 3.7Å; A71-I75 WeakPolarHBondContact O-CB 3.48Å; A71-I75 WeakPolarHBondContact O-CD1 3.21Å; A71-I75 WeakPolarHBondContact O-CG1 3.44Å; A71-I75 PolarHBondContact O-N 3.35Å; Y73-I75 PolarHBondContact O-N 3.41Å; I75-L77 PolarHBondContact O-N 3.44Å; I75-K78 PolarHBondContact O-N 3.28Å; I75-T79 HydrophobicContact CG2-CG2 4.23Å; I75-T79 VanDerWaalsContact O-CB 3.29Å; I75-T79 WeakPolarHBondContact O-CB 3.16Å; I75-T79 VanDerWaalsContact O-CG2 3.27Å; I75-T79 WeakPolarHBondContact O-CG2 3.45Å; I75-T79 PolarHBondContact O-N 2.92Å; I75-T79 PolarHBondContact O-OG1 2.97Å; I75-L94 HydrophobicContact CB-CD1 4.44Å; I75-L94 HydrophobicContact CG2-CD1 3.57Å |
| 76 | I | 94 | Very high | 89 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.1 | -43.3 | -180 | -67.4 | 168.3 | 0 | 0 | 0 | 110.9 | L72 T79 S80 L94 L126 V130 V133 | L72-I76 HydrophobicContact CB-CD1 4.44Å; L72-I76 VanDerWaalsContact O-CB 3.25Å; L72-I76 WeakPolarHBondContact O-CB 3.29Å; L72-I76 WeakPolarHBondContact O-CD1 3.39Å; L72-I76 WeakPolarHBondContact O-CG1 3.49Å; L72-I76 PolarHBondContact O-N 2.98Å; I76-T79 PolarHBondContact O-OG1 2.9Å; I76-S80 WeakPolarHBondContact O-CB 3.42Å; I76-S80 PolarHBondContact O-N 2.9Å; I76-S80 PolarHBondContact O-OG 3.24Å; I76-L94 HydrophobicContact CD1-CB 4.04Å; I76-L94 HydrophobicContact CG1-CB 3.86Å; I76-L94 HydrophobicContact CG1-CD1 4.24Å; I76-L126 HydrophobicContact CD1-CD1 3.89Å; I76-V130 HydrophobicContact CD1-CG2 4.05Å; I76-V133 HydrophobicContact CG2-CG2 3.62Å |
| 77 | L | 90.8 | Very high | 88.4 | Confident | 31 Ų | 31 | 43.4 Ų | 43.4 | 16% | 0.162 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.2 | -49.3 | -179.6 | -178.1 | 64.8 | 0 | 0 | 0 | 111.5 | Y73 I74 I75 S80 R81 | Y73-L77 HydrophobicContact CD2-CB 4.4Å; Y73-L77 HydrophobicContact CE2-CB 4.1Å; Y73-L77 HydrophobicContact CE2-CD2 3.66Å; Y73-L77 HydrophobicContact CE2-CG 4.4Å; Y73-L77 VanDerWaalsContact O-CB 3.23Å; Y73-L77 WeakPolarHBondContact O-CB 3.25Å; Y73-L77 PolarHBondContact O-N 3.41Å; Y73-L77 WeakPolarHBondContact OH-CD2 3.23Å; I74-L77 PolarHBondContact O-N 3.02Å; I75-L77 PolarHBondContact O-N 3.44Å; L77-S80 PolarHBondContact O-N 3.13Å; L77-S80 PolarHBondContact O-OG 3.14Å; L77-R81 HydrophobicContact CD1-CG 4.5Å; L77-R81 PolarHBondContact O-N 3.08Å; L77-R81 VanDerWaalsContact O-N 3.14Å |
| 78 | K | 89.5 | Confident | 87.9 | Confident | 34 Ų | 34 | 45.9 Ų | 45.9 | 15% | 0.148 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.3 | -39.2 | -178 | -69.9 | -58 | -163.8 | 157.9 | 0 | 112.8 | V34 D35 V38 I74 I75 E82 L83 | V34-K78 HydrophobicContact CG1-CG 4.07Å; D35-K78 VanDerWaalsContact OD1-CD 3.28Å; D35-K78 WeakPolarHBondContact OD1-CD 3.5Å; D35-K78 WeakPolarHBondContact OD1-CE 3.29Å; D35-K78 IonicContact OD1-NZ 3.48Å; D35-K78 PolarHBondContact OD1-NZ 3.05Å; D35-K78 IonicContact OD2-NZ 3.19Å; V38-K78 HydrophobicContact CG1-CB 4.15Å; V38-K78 HydrophobicContact CG2-CB 4.36Å; V38-K78 HydrophobicContact CG2-CG 4.38Å; I74-K78 HydrophobicContact CG2-CG 4.47Å; I74-K78 WeakPolarHBondContact O-CB 3.29Å; I74-K78 WeakPolarHBondContact O-CG 3.46Å; I74-K78 PolarHBondContact O-N 3.24Å; I75-K78 PolarHBondContact O-N 3.28Å; K78-E82 WeakPolarHBondContact CD-OE2 3.18Å; K78-E82 IonicContact NZ-OE1 3.68Å; K78-E82 PolarHBondContact NZ-OE1 3.15Å; K78-E82 PolarHBondContact O-N 3.14Å; K78-L83 HydrophobicContact CB-CD1 4.45Å; K78-L83 WeakPolarHBondContact O-CB 3.16Å; K78-L83 PolarHBondContact O-N 2.88Å |
| 79 | T | 89.1 | Confident | 87.5 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72.5 | -25.5 | 176.6 | 55.8 | 0 | 0 | 0 | 0 | 113.3 | V38 V42 I75 I76 S84 F87 A91 | V38-T79 HydrophobicContact CG1-CG2 4.17Å; V42-T79 HydrophobicContact CG2-CG2 4.07Å; I75-T79 HydrophobicContact CG2-CG2 4.23Å; I75-T79 VanDerWaalsContact O-CB 3.29Å; I75-T79 WeakPolarHBondContact O-CB 3.16Å; I75-T79 VanDerWaalsContact O-CG2 3.27Å; I75-T79 WeakPolarHBondContact O-CG2 3.45Å; I75-T79 PolarHBondContact O-N 2.92Å; I75-T79 PolarHBondContact O-OG1 2.97Å; I76-T79 PolarHBondContact O-OG1 2.9Å; T79-S84 WeakPolarHBondContact O-CA 3.34Å; T79-S84 PolarHBondContact O-N 2.97Å; T79-F87 HydrophobicContact CG2-CB 4.02Å; T79-A91 WeakPolarHBondContact OG1-CA 3.5Å; T79-A91 WeakPolarHBondContact OG1-CB 3.26Å |
| 80 | S | 85.9 | Confident | 87.2 | Confident | 27 Ų | 27 | 52.4 Ų | 52.4 | 19% | 0.189 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -83.8 | -22.8 | 175.2 | 61.5 | 0 | 0 | 0 | 0 | 114.2 | I76 L77 | I76-S80 WeakPolarHBondContact O-CB 3.42Å; I76-S80 PolarHBondContact O-N 2.9Å; I76-S80 PolarHBondContact O-OG 3.24Å; L77-S80 PolarHBondContact O-N 3.13Å; L77-S80 PolarHBondContact O-OG 3.14Å |
| 81 | R | 84.7 | Confident | 87 | Confident | 148 Ų | 148 | 49.2 Ų | 49.2 | 56% | 0.558 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110 | -90.6 | -178.1 | -69.8 | -177 | 175.4 | -166.5 | -2.8 | 112.1 | L77 L83 S84 | L77-R81 HydrophobicContact CD1-CG 4.5Å; L77-R81 PolarHBondContact O-N 3.08Å; L77-R81 VanDerWaalsContact O-N 3.14Å; R81-L83 VanDerWaalsContact C-N 3.32Å; R81-L83 PolarHBondContact O-N 3.14Å; R81-S84 VanDerWaalsContact O-CB 3.31Å; R81-S84 WeakPolarHBondContact O-CB 3.38Å; R81-S84 PolarHBondContact O-N 2.75Å; R81-S84 PolarHBondContact O-OG 3.41Å |
| 82 | E | 80.2 | Confident | 87 | Confident | 97 Ų | 97 | 54.5 Ų | 54.5 | 45% | 0.453 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -34.7 | -169.6 | -61.4 | 94.4 | 146.7 | 0 | 0 | 112.7 | K78 | K78-E82 WeakPolarHBondContact CD-OE2 3.18Å; K78-E82 IonicContact NZ-OE1 3.68Å; K78-E82 PolarHBondContact NZ-OE1 3.15Å; K78-E82 PolarHBondContact O-N 3.14Å |
| 83 | L | 81.8 | Confident | 86.9 | Confident | 23 Ų | 23 | 59.3 Ų | 59.3 | 12% | 0.12 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 12.6 | -178.1 | -58.5 | 171.9 | 0 | 0 | 0 | 113.5 | V38 V39 K78 R81 T85 R86 F87 | V38-L83 HydrophobicContact CB-CD1 4.26Å; V38-L83 HydrophobicContact CG1-CD1 3.79Å; V39-L83 HydrophobicContact CG2-CD1 3.76Å; V39-L83 HydrophobicContact CG2-CD2 3.79Å; V39-L83 HydrophobicContact CG2-CG 4.45Å; K78-L83 HydrophobicContact CB-CD1 4.45Å; K78-L83 WeakPolarHBondContact O-CB 3.16Å; K78-L83 PolarHBondContact O-N 2.88Å; R81-L83 VanDerWaalsContact C-N 3.32Å; R81-L83 PolarHBondContact O-N 3.14Å; L83-T85 PolarHBondContact O-N 2.94Å; L83-T85 VanDerWaalsContact O-N 3.16Å; L83-R86 PolarHBondContact O-N 3.36Å; L83-F87 HydrophobicContact CB-CD2 4.19Å; L83-F87 PolarHBondContact O-N 3.33Å; L83-F87 VanDerWaalsContact O-N 3.1Å |
| 84 | S | 79.9 | Confident | 86.8 | Confident | 46 Ų | 46 | 57 Ų | 57 | 32% | 0.322 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -54.2 | -35.7 | -177 | 55.3 | 0 | 0 | 0 | 0 | 113.7 | T79 R81 R86 S88 | T79-S84 WeakPolarHBondContact O-CA 3.34Å; T79-S84 PolarHBondContact O-N 2.97Å; R81-S84 VanDerWaalsContact O-CB 3.31Å; R81-S84 WeakPolarHBondContact O-CB 3.38Å; R81-S84 PolarHBondContact O-N 2.75Å; R81-S84 PolarHBondContact O-OG 3.41Å; S84-R86 PolarHBondContact O-N 3.29Å; S84-S88 VanDerWaalsContact O-CB 3.3Å; S84-S88 WeakPolarHBondContact O-CB 3.47Å; S84-S88 PolarHBondContact O-N 3.39Å |
| 85 | T | 79.2 | Confident | 87 | Confident | 130 Ų | 130 | 56 Ų | 56 | 80% | 0.798 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -65.4 | -22.4 | -179.9 | 56.6 | 0 | 0 | 0 | 0 | 114.2 | L83 | L83-T85 PolarHBondContact O-N 2.94Å; L83-T85 VanDerWaalsContact O-N 3.16Å |
| 86 | R | 80.3 | Confident | 87.1 | Confident | 188 Ų | 188 | 60.2 Ų | 60.2 | 71% | 0.709 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -108.3 | -33.9 | -176.6 | -68.8 | -174.4 | -177 | -177.8 | 2.4 | 113.2 | L83 S84 | L83-R86 PolarHBondContact O-N 3.36Å; S84-R86 PolarHBondContact O-N 3.29Å |
| 87 | F | 81 | Confident | 87.1 | Confident | 40 Ų | 40 | 60.5 Ų | 60.5 | 18% | 0.175 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -134.2 | 24.6 | -165.6 | -55.4 | -62.3 | 0 | 0 | 0 | 113.9 | V39 V42 T79 L83 D89 V90 A91 | V39-F87 HydrophobicContact CG1-CE2 4.42Å; V39-F87 HydrophobicContact CG2-CE2 4.23Å; V42-F87 HydrophobicContact CB-CD1 4.39Å; V42-F87 HydrophobicContact CB-CE1 4.42Å; V42-F87 HydrophobicContact CB-CG 4.46Å; V42-F87 HydrophobicContact CG1-CB 4.15Å; V42-F87 HydrophobicContact CG1-CD1 3.32Å; V42-F87 HydrophobicContact CG1-CD2 4.19Å; V42-F87 HydrophobicContact CG1-CE1 3.62Å; V42-F87 HydrophobicContact CG1-CE2 4.45Å; V42-F87 HydrophobicContact CG1-CG 3.64Å; V42-F87 HydrophobicContact CG1-CZ 4.18Å; T79-F87 HydrophobicContact CG2-CB 4.02Å; L83-F87 HydrophobicContact CB-CD2 4.19Å; L83-F87 PolarHBondContact O-N 3.33Å; L83-F87 VanDerWaalsContact O-N 3.1Å; F87-D89 PolarHBondContact O-N 2.99Å; F87-V90 HydrophobicContact CB-CB 4.48Å; F87-V90 HydrophobicContact CB-CG2 4.42Å; F87-V90 WeakPolarHBondContact O-CB 3.38Å; F87-V90 PolarHBondContact O-N 3.42Å; F87-V90 VanDerWaalsContact O-N 3.1Å; F87-A91 PolarHBondContact O-N 2.69Å |
| 88 | S | 80.6 | Confident | 87.3 | Confident | 60 Ų | 60 | 59 Ų | 59 | 42% | 0.42 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -55.1 | -36.4 | 178.9 | 55.3 | 0 | 0 | 0 | 0 | 113.5 | S84 V90 A91 R92 | S84-S88 VanDerWaalsContact O-CB 3.3Å; S84-S88 WeakPolarHBondContact O-CB 3.47Å; S84-S88 PolarHBondContact O-N 3.39Å; S88-V90 VanDerWaalsContact C-N 3.32Å; S88-V90 PolarHBondContact O-N 3.13Å; S88-A91 WeakPolarHBondContact O-CB 3.46Å; S88-A91 PolarHBondContact O-N 3.07Å; S88-R92 PolarHBondContact O-N 3.45Å; S88-R92 VanDerWaalsContact O-N 3.13Å |
| 89 | D | 86.5 | Confident | 87.5 | Confident | 108 Ų | 108 | 58.3 Ų | 58.3 | 58% | 0.578 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -65.1 | -37 | -180 | -68.2 | -38.7 | 0 | 0 | 0 | 111.9 | F87 R92 E93 | F87-D89 PolarHBondContact O-N 2.99Å; D89-R92 PolarHBondContact O-N 2.8Å; D89-E93 WeakPolarHBondContact O-CB 3.49Å; D89-E93 PolarHBondContact O-N 3.3Å |
| 90 | V | 88.4 | Confident | 87.5 | Confident | 30 Ų | 30 | 62.8 Ų | 62.8 | 18% | 0.182 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.9 | -42.1 | 177.5 | -178.2 | 0 | 0 | 0 | 0 | 110.7 | V42 F87 S88 R92 E93 L94 | V42-V90 HydrophobicContact CG1-CB 4.46Å; V42-V90 HydrophobicContact CG1-CG1 4.31Å; V42-V90 HydrophobicContact CG1-CG2 3.96Å; F87-V90 HydrophobicContact CB-CB 4.48Å; F87-V90 HydrophobicContact CB-CG2 4.42Å; F87-V90 WeakPolarHBondContact O-CB 3.38Å; F87-V90 PolarHBondContact O-N 3.42Å; F87-V90 VanDerWaalsContact O-N 3.1Å; S88-V90 VanDerWaalsContact C-N 3.32Å; S88-V90 PolarHBondContact O-N 3.13Å; V90-R92 VanDerWaalsContact C-N 3.27Å; V90-R92 PolarHBondContact O-N 2.85Å; V90-E93 PolarHBondContact O-N 3.01Å; V90-L94 HydrophobicContact CG1-CD1 4.03Å; V90-L94 HydrophobicContact CG1-CG 4.4Å; V90-L94 WeakPolarHBondContact O-CB 3.21Å; V90-L94 WeakPolarHBondContact O-CG 3.32Å; V90-L94 PolarHBondContact O-N 2.9Å |
| 91 | A | 90.2 | Very high | 87.5 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.008 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.7 | -44.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | T79 F87 S88 A95 | T79-A91 WeakPolarHBondContact OG1-CA 3.5Å; T79-A91 WeakPolarHBondContact OG1-CB 3.26Å; F87-A91 PolarHBondContact O-N 2.69Å; S88-A91 WeakPolarHBondContact O-CB 3.46Å; S88-A91 PolarHBondContact O-N 3.07Å; A91-A95 WeakPolarHBondContact O-CB 3.29Å; A91-A95 PolarHBondContact O-N 2.84Å |
| 92 | R | 91.7 | Very high | 87.6 | Confident | 111 Ų | 111 | 63.2 Ų | 63.2 | 42% | 0.419 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -68.8 | -45.3 | -179.8 | -171.6 | 170 | 67.1 | 82.8 | 1.4 | 112.2 | S88 D89 V90 A95 E96 V133 | S88-R92 PolarHBondContact O-N 3.45Å; S88-R92 VanDerWaalsContact O-N 3.13Å; D89-R92 PolarHBondContact O-N 2.8Å; V90-R92 VanDerWaalsContact C-N 3.27Å; V90-R92 PolarHBondContact O-N 2.85Å; R92-A95 PolarHBondContact O-N 3.4Å; R92-E96 WeakPolarHBondContact CD-OE1 3.28Å; R92-E96 HydrophobicContact CG-CG 4.26Å; R92-E96 VanDerWaalsContact CG-OE1 3.22Å; R92-E96 WeakPolarHBondContact CG-OE1 3.46Å; R92-E96 IonicContact CZ-OE1 3.51Å; R92-E96 IonicContact NH1-OE1 3.45Å; R92-E96 PolarHBondContact NH1-OE1 3.34Å; R92-E96 IonicContact NH1-OE2 3.56Å; R92-E96 PolarHBondContact NH1-OE2 3.07Å; R92-E96 WeakPolarHBondContact O-CB 3.48Å; R92-E96 WeakPolarHBondContact O-CG 3.29Å; R92-E96 PolarHBondContact O-N 2.93Å; R92-V133 HydrophobicContact CB-CG1 4.21Å |
| 93 | E | 92.8 | Very high | 88.2 | Confident | 102 Ų | 102 | 59.8 Ų | 59.8 | 48% | 0.477 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 178.7 | -172.7 | 175.3 | -176 | 0 | 0 | 112 | V48 D89 V90 G97 | V48-E93 HydrophobicContact CG1-CG 4.13Å; V48-E93 HydrophobicContact CG2-CG 4.14Å; D89-E93 WeakPolarHBondContact O-CB 3.49Å; D89-E93 PolarHBondContact O-N 3.3Å; V90-E93 PolarHBondContact O-N 3.01Å; E93-G97 PolarHBondContact O-N 3.44Å |
| 94 | L | 93.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.7 | -41 | 175.4 | -72.5 | 173.9 | 0 | 0 | 0 | 112.4 | V47 L51 L72 I75 I76 V90 F98 | V47-L94 HydrophobicContact CG1-CD1 3.91Å; V47-L94 HydrophobicContact CG1-CD2 4.5Å; L51-L94 HydrophobicContact CD1-CD2 4.45Å; L51-L94 HydrophobicContact CG-CD2 4.27Å; L72-L94 HydrophobicContact CD2-CD2 4.01Å; I75-L94 HydrophobicContact CB-CD1 4.44Å; I75-L94 HydrophobicContact CG2-CD1 3.57Å; I76-L94 HydrophobicContact CD1-CB 4.04Å; I76-L94 HydrophobicContact CG1-CB 3.86Å; I76-L94 HydrophobicContact CG1-CD1 4.24Å; V90-L94 HydrophobicContact CG1-CD1 4.03Å; V90-L94 HydrophobicContact CG1-CG 4.4Å; V90-L94 WeakPolarHBondContact O-CB 3.21Å; V90-L94 WeakPolarHBondContact O-CG 3.32Å; V90-L94 PolarHBondContact O-N 2.9Å; L94-F98 VanDerWaalsContact O-CB 3.23Å; L94-F98 WeakPolarHBondContact O-CB 3.4Å; L94-F98 PolarHBondContact O-N 2.94Å |
| 95 | A | 94.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.3 | -43.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A91 R92 F98 L99 V130 V133 L137 | A91-A95 WeakPolarHBondContact O-CB 3.29Å; A91-A95 PolarHBondContact O-N 2.84Å; R92-A95 PolarHBondContact O-N 3.4Å; A95-F98 PolarHBondContact O-N 3.22Å; A95-L99 WeakPolarHBondContact O-CG 3.32Å; A95-L99 PolarHBondContact O-N 2.52Å; A95-L99 VanDerWaalsContact O-N 3.13Å; A95-V130 HydrophobicContact CB-CG1 4.22Å; A95-V130 HydrophobicContact CB-CG2 4.17Å; A95-V133 HydrophobicContact CB-CB 4.48Å; A95-V133 HydrophobicContact CB-CG2 4.07Å; A95-L137 HydrophobicContact CB-CD1 3.68Å |
| 96 | E | 95 | Very high | 89.9 | Confident | 88 Ų | 88 | 54.7 Ų | 54.7 | 41% | 0.411 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.9 | -48.3 | 173.4 | -75.8 | 174.5 | -171.6 | 0 | 0 | 110.6 | R92 F98 L99 E100 L137 | R92-E96 WeakPolarHBondContact CD-OE1 3.28Å; R92-E96 HydrophobicContact CG-CG 4.26Å; R92-E96 VanDerWaalsContact CG-OE1 3.22Å; R92-E96 WeakPolarHBondContact CG-OE1 3.46Å; R92-E96 IonicContact CZ-OE1 3.51Å; R92-E96 IonicContact NH1-OE1 3.45Å; R92-E96 PolarHBondContact NH1-OE1 3.34Å; R92-E96 IonicContact NH1-OE2 3.56Å; R92-E96 PolarHBondContact NH1-OE2 3.07Å; R92-E96 WeakPolarHBondContact O-CB 3.48Å; R92-E96 WeakPolarHBondContact O-CG 3.29Å; R92-E96 PolarHBondContact O-N 2.93Å; E96-F98 VanDerWaalsContact C-N 3.35Å; E96-F98 PolarHBondContact O-N 2.98Å; E96-L99 PolarHBondContact O-N 2.86Å; E96-L99 VanDerWaalsContact O-N 3.14Å; E96-E100 PolarHBondContact O-N 3.22Å; E96-L137 HydrophobicContact CG-CD2 3.86Å |
| 97 | G | 93.2 | Very high | 90.5 | Very high | 7 Ų | 7 | 45.7 Ų | 45.7 | 7% | 0.072 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62 | -39.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E93 L99 E100 R103 | E93-G97 PolarHBondContact O-N 3.44Å; G97-L99 VanDerWaalsContact C-N 3.3Å; G97-L99 PolarHBondContact O-N 3.27Å; G97-E100 PolarHBondContact O-N 3.21Å; G97-R103 VanDerWaalsContact O-CD 3.24Å; G97-R103 WeakPolarHBondContact O-CD 3.45Å; G97-R103 PolarHBondContact O-NH1 2.94Å |
| 98 | F | 95.6 | Very high | 91 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.8 | -33.4 | 174.9 | 170.1 | -101.5 | 0 | 0 | 0 | 113 | L51 L54 L72 L94 A95 E96 E100 F104 C107 L126 L127 V130 | L51-F98 HydrophobicContact CD2-CB 4.27Å; L54-F98 HydrophobicContact CD1-CD2 3.84Å; L54-F98 HydrophobicContact CD1-CE2 4.4Å; L72-F98 HydrophobicContact CD1-CD2 4.45Å; L94-F98 VanDerWaalsContact O-CB 3.23Å; L94-F98 WeakPolarHBondContact O-CB 3.4Å; L94-F98 PolarHBondContact O-N 2.94Å; A95-F98 PolarHBondContact O-N 3.22Å; E96-F98 VanDerWaalsContact C-N 3.35Å; E96-F98 PolarHBondContact O-N 2.98Å; F98-E100 VanDerWaalsContact C-N 3.27Å; F98-E100 PolarHBondContact O-N 2.83Å; F98-F104 HydrophobicContact CD1-CD2 4.45Å; F98-F104 AromaticContact CE1-CD2 3.75Å; F98-F104 HydrophobicContact CE1-CD2 3.75Å; F98-F104 HydrophobicContact CE1-CE2 4.13Å; F98-F104 HydrophobicContact CZ-CD2 4.09Å; F98-F104 PolarHBondContact O-N 3.49Å; F98-C107 HydrophobicContact CE2-CB 3.93Å; F98-C107 HydrophobicContact CZ-CB 3.84Å; F98-L126 HydrophobicContact CD2-CD2 3.98Å; F98-L126 HydrophobicContact CE1-CD2 4.39Å; F98-L126 HydrophobicContact CE1-CG 4.3Å; F98-L126 HydrophobicContact CE2-CD2 3.47Å; F98-L126 VanDerWaalsContact CE2-CD2 3.47Å; F98-L126 HydrophobicContact CE2-CG 4.23Å; F98-L126 HydrophobicContact CZ-CD2 3.7Å; F98-L126 HydrophobicContact CZ-CG 4.05Å; F98-L127 HydrophobicContact CE1-CD2 4.07Å; F98-L127 HydrophobicContact CZ-CD2 4.37Å; F98-V130 HydrophobicContact CD1-CG2 3.81Å; F98-V130 HydrophobicContact CE1-CG2 4.28Å |
| 99 | L | 92.4 | Very high | 91.4 | Very high | 19 Ų | 19 | 43.6 Ų | 43.6 | 10% | 0.099 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 2.9 | -179.7 | -68.6 | -170.1 | 0 | 0 | 0 | 114.6 | A95 E96 G97 F104 V130 L137 A140 V141 | A95-L99 WeakPolarHBondContact O-CG 3.32Å; A95-L99 PolarHBondContact O-N 2.52Å; A95-L99 VanDerWaalsContact O-N 3.13Å; E96-L99 PolarHBondContact O-N 2.86Å; E96-L99 VanDerWaalsContact O-N 3.14Å; G97-L99 VanDerWaalsContact C-N 3.3Å; G97-L99 PolarHBondContact O-N 3.27Å; L99-F104 HydrophobicContact CD2-CD2 3.41Å; L99-F104 VanDerWaalsContact CD2-CD2 3.41Å; L99-F104 HydrophobicContact CD2-CE2 3.62Å; L99-F104 HydrophobicContact CD2-CG 4.22Å; L99-V130 HydrophobicContact CD1-CG1 3.93Å; L99-V130 HydrophobicContact CD2-CG1 4.12Å; L99-V130 HydrophobicContact CG-CG1 4.01Å; L99-L137 HydrophobicContact CD1-CB 4.2Å; L99-L137 HydrophobicContact CD1-CD2 3.57Å; L99-L137 HydrophobicContact CD1-CG 4.5Å; L99-L137 HydrophobicContact CG-CD2 4.47Å; L99-A140 HydrophobicContact CD1-CB 3.83Å; L99-V141 HydrophobicContact CD1-CG2 3.98Å; L99-V141 HydrophobicContact CD2-CG2 3.79Å |
| 100 | E | 90.4 | Very high | 91.7 | Very high | 93 Ų | 93 | 39.1 Ų | 39.1 | 44% | 0.435 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -59 | 139.4 | 167 | -72.7 | 178 | -148.1 | 0 | 0 | 111 | E96 G97 F98 S102 R103 F104 | E96-E100 PolarHBondContact O-N 3.22Å; G97-E100 PolarHBondContact O-N 3.21Å; F98-E100 VanDerWaalsContact C-N 3.27Å; F98-E100 PolarHBondContact O-N 2.83Å; E100-S102 PolarHBondContact O-N 2.99Å; E100-R103 PolarHBondContact O-N 3.24Å; E100-R103 IonicContact OE1-CZ 3.91Å; E100-R103 IonicContact OE1-NH1 3.24Å; E100-R103 PolarHBondContact OE1-NH1 3.17Å; E100-R103 IonicContact OE1-NH2 3.94Å; E100-R103 IonicContact OE2-CZ 2.88Å; E100-R103 VanDerWaalsContact OE2-CZ 3.24Å; E100-R103 IonicContact OE2-NH1 3.47Å; E100-R103 PolarHBondContact OE2-NH1 3.48Å; E100-R103 IonicContact OE2-NH2 3.02Å; E100-R103 PolarHBondContact OE2-NH2 3.04Å; E100-F104 PolarHBondContact O-N 3.02Å |
| 101 | D | 84.9 | Confident | 91.9 | Very high | 109 Ų | 109 | 37.8 Ų | 37.8 | 58% | 0.583 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -52 | -38.8 | -166.9 | -77.3 | -29.4 | 0 | 0 | 0 | 113.3 | S105 Y144 | D101-S105 WeakPolarHBondContact O-CB 3.5Å; D101-S105 PolarHBondContact O-N 3.14Å; D101-S105 VanDerWaalsContact O-N 3.07Å; D101-Y144 PolarHBondContact OD1-OH 2.96Å |
| 102 | S | 87.3 | Confident | 91.8 | Very high | 75 Ų | 75 | 45.3 Ų | 45.3 | 52% | 0.524 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67.7 | -47.9 | 179.4 | 55.9 | 0 | 0 | 0 | 0 | 112.8 | E100 L106 | E100-S102 PolarHBondContact O-N 2.99Å; S102-L106 WeakPolarHBondContact O-CB 3.26Å; S102-L106 PolarHBondContact O-N 3.38Å |
| 103 | R | 92.9 | Very high | 91.6 | Very high | 26 Ų | 26 | 48.4 Ų | 48.4 | 10% | 0.098 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -72.7 | -41.8 | -175.6 | -62.2 | 176.6 | -169.2 | 135.8 | 7.5 | 111.4 | L54 D55 G97 E100 L106 C107 | L54-R103 HydrophobicContact CB-CB 4.19Å; L54-R103 HydrophobicContact CB-CG 3.87Å; L54-R103 HydrophobicContact CD1-CB 4.15Å; L54-R103 HydrophobicContact CD1-CG 4.46Å; D55-R103 WeakPolarHBondContact OD1-CG 3.4Å; D55-R103 IonicContact OD1-CZ 2.8Å; D55-R103 IonicContact OD1-NE 3.78Å; D55-R103 PolarHBondContact OD1-NE 3.39Å; D55-R103 IonicContact OD1-NH2 2.95Å; D55-R103 PolarHBondContact OD1-NH2 3.44Å; D55-R103 IonicContact OD2-CZ 3.82Å; D55-R103 IonicContact OD2-NE 2.83Å; D55-R103 IonicContact OD2-NH2 2.6Å; D55-R103 PolarHBondContact OD2-NH2 2.93Å; G97-R103 VanDerWaalsContact O-CD 3.24Å; G97-R103 WeakPolarHBondContact O-CD 3.45Å; G97-R103 PolarHBondContact O-NH1 2.94Å; E100-R103 PolarHBondContact O-N 3.24Å; E100-R103 IonicContact OE1-CZ 3.91Å; E100-R103 IonicContact OE1-NH1 3.24Å; E100-R103 PolarHBondContact OE1-NH1 3.17Å; E100-R103 IonicContact OE1-NH2 3.94Å; E100-R103 IonicContact OE2-CZ 2.88Å; E100-R103 VanDerWaalsContact OE2-CZ 3.24Å; E100-R103 IonicContact OE2-NH1 3.47Å; E100-R103 PolarHBondContact OE2-NH1 3.48Å; E100-R103 IonicContact OE2-NH2 3.02Å; E100-R103 PolarHBondContact OE2-NH2 3.04Å; R103-L106 WeakPolarHBondContact O-CB 3.33Å; R103-L106 PolarHBondContact O-N 2.99Å; R103-C107 PolarHBondContact O-N 2.94Å; R103-C107 VanDerWaalsContact O-N 3.09Å |
| 104 | F | 93.6 | Very high | 91.2 | Very high | 6 Ų | 6 | 44.4 Ų | 44.4 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.3 | -43.8 | 175.1 | -169.6 | -106.7 | 0 | 0 | 0 | 111.6 | F98 L99 E100 L106 C107 L108 L127 Y144 I145 | F98-F104 HydrophobicContact CD1-CD2 4.45Å; F98-F104 AromaticContact CE1-CD2 3.75Å; F98-F104 HydrophobicContact CE1-CD2 3.75Å; F98-F104 HydrophobicContact CE1-CE2 4.13Å; F98-F104 HydrophobicContact CZ-CD2 4.09Å; F98-F104 PolarHBondContact O-N 3.49Å; L99-F104 HydrophobicContact CD2-CD2 3.41Å; L99-F104 VanDerWaalsContact CD2-CD2 3.41Å; L99-F104 HydrophobicContact CD2-CE2 3.62Å; L99-F104 HydrophobicContact CD2-CG 4.22Å; E100-F104 PolarHBondContact O-N 3.02Å; F104-L106 VanDerWaalsContact C-N 3.31Å; F104-L106 PolarHBondContact O-N 3Å; F104-C107 WeakPolarHBondContact O-CB 3.46Å; F104-C107 PolarHBondContact O-N 3.28Å; F104-L108 HydrophobicContact CD1-CD1 3.95Å; F104-L108 HydrophobicContact CD1-CG 4.31Å; F104-L108 HydrophobicContact CE1-CD1 3.48Å; F104-L108 VanDerWaalsContact CE1-CD1 3.48Å; F104-L108 HydrophobicContact CE1-CD2 4.43Å; F104-L108 HydrophobicContact CE1-CG 3.95Å; F104-L108 HydrophobicContact CZ-CD1 4.21Å; F104-L108 HydrophobicContact CZ-CD2 4.37Å; F104-L108 HydrophobicContact CZ-CG 4.32Å; F104-L108 PolarHBondContact O-N 3.31Å; F104-L127 HydrophobicContact CD2-CD2 4.38Å; F104-L127 HydrophobicContact CE2-CD2 3.43Å; F104-L127 VanDerWaalsContact CE2-CD2 3.43Å; F104-L127 HydrophobicContact CZ-CD2 4.08Å; F104-Y144 HydrophobicContact CD1-CD2 4.5Å; F104-Y144 HydrophobicContact CD1-CG 4.26Å; F104-Y144 HydrophobicContact CE1-CD2 4.4Å; F104-Y144 HydrophobicContact CE1-CG 4.06Å; F104-I145 HydrophobicContact CZ-CG1 4.22Å |
| 105 | S | 90.4 | Very high | 90.9 | Very high | 69 Ų | 69 | 50.9 Ų | 50.9 | 48% | 0.483 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.7 | -39.8 | 174.8 | -177.3 | 0 | 0 | 0 | 0 | 111.9 | D101 C107 L108 S109 | D101-S105 WeakPolarHBondContact O-CB 3.5Å; D101-S105 PolarHBondContact O-N 3.14Å; D101-S105 VanDerWaalsContact O-N 3.07Å; S105-C107 PolarHBondContact O-N 3.29Å; S105-L108 PolarHBondContact O-N 2.94Å; S105-S109 VanDerWaalsContact O-CB 3.24Å; S105-S109 WeakPolarHBondContact O-CB 3.47Å; S105-S109 PolarHBondContact O-N 3.26Å; S105-S109 PolarHBondContact O-OG 3.41Å |
| 106 | L | 92.1 | Very high | 90.6 | Very high | 16 Ų | 16 | 54.5 Ų | 54.5 | 8% | 0.084 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.8 | -50.2 | 173.3 | 177.5 | 67.2 | 0 | 0 | 0 | 110.9 | L54 L65 S102 R103 F104 L108 S109 T110 | L54-L106 HydrophobicContact CB-CD2 4.35Å; L54-L106 HydrophobicContact CD2-CD2 4.23Å; L54-L106 VanDerWaalsContact O-CD2 3.26Å; L54-L106 WeakPolarHBondContact O-CD2 3.39Å; L65-L106 HydrophobicContact CD2-CD2 4.17Å; S102-L106 WeakPolarHBondContact O-CB 3.26Å; S102-L106 PolarHBondContact O-N 3.38Å; R103-L106 WeakPolarHBondContact O-CB 3.33Å; R103-L106 PolarHBondContact O-N 2.99Å; F104-L106 VanDerWaalsContact C-N 3.31Å; F104-L106 PolarHBondContact O-N 3Å; L106-L108 PolarHBondContact O-N 3.35Å; L106-S109 PolarHBondContact O-N 2.95Å; L106-S109 VanDerWaalsContact O-N 3.16Å; L106-S109 PolarHBondContact O-OG 2.92Å; L106-T110 WeakPolarHBondContact O-CB 3.23Å; L106-T110 PolarHBondContact O-N 3.1Å; L106-T110 PolarHBondContact O-OG1 3.16Å |
| 107 | C | 92.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55.3 | -51.2 | 177.8 | -176.8 | 0 | 0 | 0 | 0 | 111.7 | F69 F98 R103 F104 S105 S109 T110 M111 | F69-C107 HydrophobicContact CE1-CB 4.22Å; F69-C107 HydrophobicContact CZ-CB 4.13Å; F98-C107 HydrophobicContact CE2-CB 3.93Å; F98-C107 HydrophobicContact CZ-CB 3.84Å; R103-C107 PolarHBondContact O-N 2.94Å; R103-C107 VanDerWaalsContact O-N 3.09Å; F104-C107 WeakPolarHBondContact O-CB 3.46Å; F104-C107 PolarHBondContact O-N 3.28Å; S105-C107 PolarHBondContact O-N 3.29Å; C107-S109 VanDerWaalsContact C-N 3.32Å; C107-S109 PolarHBondContact O-N 3.48Å; C107-T110 PolarHBondContact O-N 3.37Å; C107-M111 WeakPolarHBondContact O-CG 3.3Å; C107-M111 PolarHBondContact O-N 2.83Å |
| 108 | L | 92.3 | Very high | 90.4 | Very high | 23 Ų | 23 | 54.4 Ų | 54.4 | 12% | 0.12 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.1 | -38.5 | 177.7 | -66.7 | -174.7 | 0 | 0 | 0 | 112.6 | F104 S105 L106 M111 R112 | F104-L108 HydrophobicContact CD1-CD1 3.95Å; F104-L108 HydrophobicContact CD1-CG 4.31Å; F104-L108 HydrophobicContact CE1-CD1 3.48Å; F104-L108 VanDerWaalsContact CE1-CD1 3.48Å; F104-L108 HydrophobicContact CE1-CD2 4.43Å; F104-L108 HydrophobicContact CE1-CG 3.95Å; F104-L108 HydrophobicContact CZ-CD1 4.21Å; F104-L108 HydrophobicContact CZ-CD2 4.37Å; F104-L108 HydrophobicContact CZ-CG 4.32Å; F104-L108 PolarHBondContact O-N 3.31Å; S105-L108 PolarHBondContact O-N 2.94Å; L106-L108 PolarHBondContact O-N 3.35Å; L108-M111 HydrophobicContact CD2-SD 4.38Å; L108-M111 PolarHBondContact O-N 2.97Å; L108-R112 VanDerWaalsContact O-CG 3.24Å; L108-R112 WeakPolarHBondContact O-CG 3.5Å; L108-R112 PolarHBondContact O-N 3.03Å |
| 109 | S | 89.8 | Confident | 90.3 | Very high | 32 Ų | 32 | 54.5 Ų | 54.5 | 22% | 0.224 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.6 | -38 | 178 | 82.3 | 0 | 0 | 0 | 0 | 112 | S105 L106 C107 R112 K113 | S105-S109 VanDerWaalsContact O-CB 3.24Å; S105-S109 WeakPolarHBondContact O-CB 3.47Å; S105-S109 PolarHBondContact O-N 3.26Å; S105-S109 PolarHBondContact O-OG 3.41Å; L106-S109 PolarHBondContact O-N 2.95Å; L106-S109 VanDerWaalsContact O-N 3.16Å; L106-S109 PolarHBondContact O-OG 2.92Å; C107-S109 VanDerWaalsContact C-N 3.32Å; C107-S109 PolarHBondContact O-N 3.48Å; S109-R112 PolarHBondContact O-N 2.91Å; S109-K113 WeakPolarHBondContact O-CG 3.47Å; S109-K113 PolarHBondContact O-N 2.95Å |
| 110 | T | 91.5 | Very high | 90.4 | Very high | 15 Ų | 15 | 53.6 Ų | 53.6 | 9% | 0.092 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.1 | -42.7 | 175.7 | -61 | 0 | 0 | 0 | 0 | 110.4 | L65 F69 L106 C107 R112 K113 S114 I119 | L65-T110 HydrophobicContact CD1-CG2 4.28Å; F69-T110 HydrophobicContact CE2-CG2 3.99Å; L106-T110 WeakPolarHBondContact O-CB 3.23Å; L106-T110 PolarHBondContact O-N 3.1Å; L106-T110 PolarHBondContact O-OG1 3.16Å; C107-T110 PolarHBondContact O-N 3.37Å; T110-R112 VanDerWaalsContact C-N 3.33Å; T110-R112 PolarHBondContact O-N 3.38Å; T110-K113 PolarHBondContact O-N 2.95Å; T110-S114 WeakPolarHBondContact O-CB 3.27Å; T110-S114 PolarHBondContact O-N 3.22Å; T110-I119 HydrophobicContact CG2-CG2 3.85Å |
| 111 | M | 92.2 | Very high | 90.7 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.8 | -40.2 | 173 | -67.9 | 177.9 | 76.4 | 0 | 0 | 112.4 | C107 L108 L120 S123 L124 L127 T151 M152 | C107-M111 WeakPolarHBondContact O-CG 3.3Å; C107-M111 PolarHBondContact O-N 2.83Å; L108-M111 HydrophobicContact CD2-SD 4.38Å; L108-M111 PolarHBondContact O-N 2.97Å; M111-L120 HydrophobicContact CB-CD2 4.03Å; M111-L120 HydrophobicContact CG-CD2 4.3Å; M111-S123 VanDerWaalsContact CG-CB 3.49Å; M111-S123 VanDerWaalsContact SD-CB 3.55Å; M111-L124 HydrophobicContact CE-CD2 3.96Å; M111-L124 HydrophobicContact CE-CG 4Å; M111-L127 HydrophobicContact SD-CD1 4.23Å; M111-T151 HydrophobicContact CB-CG2 3.89Å; M111-M152 HydrophobicContact CE-CE 4.09Å |
| 112 | R | 89.4 | Confident | 91.1 | Very high | 160 Ų | 160 | 45 Ų | 45 | 60% | 0.604 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -64.2 | -44.2 | 177.5 | -75.5 | 167 | -169.3 | -166.3 | 6 | 112.3 | L108 S109 T110 T151 | L108-R112 VanDerWaalsContact O-CG 3.24Å; L108-R112 WeakPolarHBondContact O-CG 3.5Å; L108-R112 PolarHBondContact O-N 3.03Å; S109-R112 PolarHBondContact O-N 2.91Å; T110-R112 VanDerWaalsContact C-N 3.33Å; T110-R112 PolarHBondContact O-N 3.38Å; R112-T151 WeakPolarHBondContact CG-OG1 3.29Å |
| 113 | K | 86.7 | Confident | 91.5 | Very high | 176 Ų | 176 | 41.4 Ų | 41.4 | 77% | 0.765 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -79.7 | -30.6 | -175.8 | -68.3 | 173.8 | -178.6 | 176.9 | 0 | 113.1 | S109 T110 | S109-K113 WeakPolarHBondContact O-CG 3.47Å; S109-K113 PolarHBondContact O-N 2.95Å; T110-K113 PolarHBondContact O-N 2.95Å |
| 114 | S | 85.6 | Confident | 91.7 | Very high | 17 Ų | 17 | 40.2 Ų | 40.2 | 12% | 0.119 | 20% | 0.2 | C | C | . | . | trans | -81.3 | 136.7 | -169.8 | -174.4 | 0 | 0 | 0 | 0 | 113.9 | T110 N116 K154 | T110-S114 WeakPolarHBondContact O-CB 3.27Å; T110-S114 PolarHBondContact O-N 3.22Å; S114-N116 WeakPolarHBondContact OG-CB 3.35Å; S114-N116 PolarHBondContact OG-N 3.2Å; S114-N116 VanDerWaalsContact OG-N 3.08Å; S114-K154 PolarHBondContact O-NZ 3.22Å | ||
| 115 | Q | 85.6 | Confident | 91.9 | Very high | 137 Ų | 137 | 41.7 Ų | 41.7 | 64% | 0.64 | 21% | 0.208 | S | C | * | . | trans | -98.5 | -6.6 | 166 | -61.7 | -63.6 | -11.7 | 0 | 0 | 112.6 | A117 K154 R158 | Q115-A117 PolarHBondContact O-N 3.43Å; Q115-K154 VanDerWaalsContact CD-NZ 3.3Å; Q115-K154 VanDerWaalsContact OE1-CE 3.31Å; Q115-R158 VanDerWaalsContact O-CZ 3.27Å; Q115-R158 PolarHBondContact O-NH1 3.34Å; Q115-R158 PolarHBondContact O-NH2 2.75Å | ||
| 116 | N | 90 | Very high | 92.2 | Very high | 76 Ų | 76 | 38.4 Ų | 38.4 | 41% | 0.406 | 19% | 0.185 | S | C | . | . | trans | -70 | 126.2 | 179.8 | -172.1 | -19.4 | 0 | 0 | 0 | 110.2 | S114 E118 I119 L120 | S114-N116 WeakPolarHBondContact OG-CB 3.35Å; S114-N116 PolarHBondContact OG-N 3.2Å; S114-N116 VanDerWaalsContact OG-N 3.08Å; N116-E118 VanDerWaalsContact C-N 3.31Å; N116-E118 PolarHBondContact O-N 3.23Å; N116-E118 WeakPolarHBondContact OD1-CB 3.34Å; N116-E118 PolarHBondContact OD1-N 2.86Å; N116-I119 HydrophobicContact CB-CB 4.28Å; N116-I119 HydrophobicContact CB-CD1 3.94Å; N116-I119 HydrophobicContact CB-CG1 4.06Å; N116-L120 PolarHBondContact O-N 2.94Å | ||
| 117 | A | 91.4 | Very high | 92.4 | Very high | 29 Ų | 29 | 37.7 Ų | 37.7 | 24% | 0.24 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.5 | -40.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q115 I119 L120 K121 V167 | Q115-A117 PolarHBondContact O-N 3.43Å; A117-I119 PolarHBondContact O-N 3.48Å; A117-L120 PolarHBondContact O-N 3.45Å; A117-L120 VanDerWaalsContact O-N 3.17Å; A117-K121 WeakPolarHBondContact O-CG 3.13Å; A117-K121 PolarHBondContact O-N 3.08Å; A117-V167 HydrophobicContact CB-CG2 4.06Å; A117-V167 WeakPolarHBondContact O-CG2 3.37Å |
| 118 | E | 92.4 | Very high | 92.6 | Very high | 64 Ų | 64 | 38.4 Ų | 38.4 | 30% | 0.299 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -65.1 | -41.7 | -174.1 | -157.7 | 62.7 | -168.8 | 0 | 0 | 111.6 | L66 N116 L120 K121 T122 | L66-E118 HydrophobicContact CD1-CB 4.32Å; L66-E118 HydrophobicContact CD1-CG 4.02Å; L66-E118 HydrophobicContact CD2-CB 4.2Å; L66-E118 HydrophobicContact CD2-CG 4.01Å; N116-E118 VanDerWaalsContact C-N 3.31Å; N116-E118 PolarHBondContact O-N 3.23Å; N116-E118 WeakPolarHBondContact OD1-CB 3.34Å; N116-E118 PolarHBondContact OD1-N 2.86Å; E118-L120 VanDerWaalsContact C-N 3.33Å; E118-L120 PolarHBondContact O-N 3.37Å; E118-K121 PolarHBondContact O-N 3.22Å; E118-K121 WeakPolarHBondContact OE2-CD 3.4Å; E118-K121 IonicContact OE2-NZ 3.96Å; E118-K121 PolarHBondContact OE2-NZ 3.16Å; E118-T122 WeakPolarHBondContact O-CG2 3.24Å; E118-T122 PolarHBondContact O-N 3.37Å; E118-T122 PolarHBondContact O-OG1 2.84Å; E118-T122 VanDerWaalsContact O-OG1 3.04Å |
| 119 | I | 93.2 | Very high | 92.7 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.2 | -44 | 174.6 | -67 | 178.2 | 0 | 0 | 0 | 111.2 | A62 L66 T110 N116 A117 T122 S123 | A62-I119 HydrophobicContact CB-CD1 3.89Å; L66-I119 HydrophobicContact CB-CG1 4.07Å; L66-I119 HydrophobicContact CD1-CG1 4.03Å; L66-I119 HydrophobicContact CD2-CG1 4.47Å; L66-I119 HydrophobicContact CG-CG1 4.43Å; T110-I119 HydrophobicContact CG2-CG2 3.85Å; N116-I119 HydrophobicContact CB-CB 4.28Å; N116-I119 HydrophobicContact CB-CD1 3.94Å; N116-I119 HydrophobicContact CB-CG1 4.06Å; A117-I119 PolarHBondContact O-N 3.48Å; I119-T122 PolarHBondContact O-OG1 3.25Å; I119-S123 WeakPolarHBondContact O-CB 3.5Å; I119-S123 PolarHBondContact O-N 3.36Å; I119-S123 PolarHBondContact O-OG 3.31Å |
| 120 | L | 94.7 | Very high | 93 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.4 | -41.2 | 179.3 | -63 | 176.6 | 0 | 0 | 0 | 111.8 | M111 N116 A117 E118 L124 V167 | M111-L120 HydrophobicContact CB-CD2 4.03Å; M111-L120 HydrophobicContact CG-CD2 4.3Å; N116-L120 PolarHBondContact O-N 2.94Å; A117-L120 PolarHBondContact O-N 3.45Å; A117-L120 VanDerWaalsContact O-N 3.17Å; E118-L120 VanDerWaalsContact C-N 3.33Å; E118-L120 PolarHBondContact O-N 3.37Å; L120-L124 WeakPolarHBondContact O-CB 3.34Å; L120-L124 WeakPolarHBondContact O-CD1 3.5Å; L120-L124 VanDerWaalsContact O-CG 3.26Å; L120-L124 WeakPolarHBondContact O-CG 3.24Å; L120-L124 PolarHBondContact O-N 3.42Å; L120-V167 HydrophobicContact CB-CG1 3.94Å; L120-V167 HydrophobicContact CB-CG2 4.12Å; L120-V167 HydrophobicContact CD1-CG1 4.33Å |
| 121 | K | 95.4 | Very high | 93.2 | Very high | 20 Ų | 20 | 35.2 Ų | 35.2 | 9% | 0.087 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.7 | -53.9 | 175.7 | -67.1 | 175.1 | -169.1 | 173.6 | 0 | 110.8 | A117 E118 S123 L124 Q125 D163 C165 V167 | A117-K121 WeakPolarHBondContact O-CG 3.13Å; A117-K121 PolarHBondContact O-N 3.08Å; E118-K121 PolarHBondContact O-N 3.22Å; E118-K121 WeakPolarHBondContact OE2-CD 3.4Å; E118-K121 IonicContact OE2-NZ 3.96Å; E118-K121 PolarHBondContact OE2-NZ 3.16Å; K121-S123 VanDerWaalsContact C-N 3.31Å; K121-S123 PolarHBondContact O-N 2.97Å; K121-L124 PolarHBondContact O-N 3.37Å; K121-L124 VanDerWaalsContact O-N 3.16Å; K121-Q125 WeakPolarHBondContact O-CB 3.42Å; K121-Q125 VanDerWaalsContact O-CG 3.27Å; K121-Q125 WeakPolarHBondContact O-CG 3.33Å; K121-Q125 PolarHBondContact O-N 3.36Å; K121-Q125 PolarHBondContact O-OE1 3.4Å; K121-D163 WeakPolarHBondContact CE-OD2 3.48Å; K121-D163 IonicContact NZ-OD1 3.5Å; K121-D163 IonicContact NZ-OD2 3.25Å; K121-D163 PolarHBondContact NZ-OD2 3.05Å; K121-C165 WeakPolarHBondContact CD-O 3.34Å; K121-C165 VanDerWaalsContact CE-O 3.26Å; K121-C165 WeakPolarHBondContact CE-O 3.45Å; K121-V167 HydrophobicContact CG-CG2 3.79Å |
| 122 | T | 94.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.1 | -37.6 | -176.5 | 53 | 0 | 0 | 0 | 0 | 111.6 | L66 K70 E118 I119 Q125 L126 | L66-T122 HydrophobicContact CD1-CG2 3.62Å; L66-T122 VanDerWaalsContact CD1-OG1 3.24Å; L66-T122 WeakPolarHBondContact CD1-OG1 3.46Å; K70-T122 HydrophobicContact CB-CG2 4.01Å; K70-T122 HydrophobicContact CD-CG2 4.16Å; K70-T122 HydrophobicContact CG-CG2 4.24Å; E118-T122 WeakPolarHBondContact O-CG2 3.24Å; E118-T122 PolarHBondContact O-N 3.37Å; E118-T122 PolarHBondContact O-OG1 2.84Å; E118-T122 VanDerWaalsContact O-OG1 3.04Å; I119-T122 PolarHBondContact O-OG1 3.25Å; T122-Q125 PolarHBondContact O-N 2.73Å; T122-L126 VanDerWaalsContact O-CB 3.24Å; T122-L126 WeakPolarHBondContact O-CB 3.47Å; T122-L126 PolarHBondContact O-N 2.86Å |
| 123 | S | 95.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65 | -43.9 | 174.6 | -64.4 | 0 | 0 | 0 | 0 | 111.7 | M111 I119 K121 L126 L127 | M111-S123 VanDerWaalsContact CG-CB 3.49Å; M111-S123 VanDerWaalsContact SD-CB 3.55Å; I119-S123 WeakPolarHBondContact O-CB 3.5Å; I119-S123 PolarHBondContact O-N 3.36Å; I119-S123 PolarHBondContact O-OG 3.31Å; K121-S123 VanDerWaalsContact C-N 3.31Å; K121-S123 PolarHBondContact O-N 2.97Å; S123-L126 PolarHBondContact O-N 3.05Å; S123-L127 WeakPolarHBondContact O-CG 3.47Å; S123-L127 PolarHBondContact O-N 3.38Å |
| 124 | L | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.2 | -39.2 | 176.8 | -72.3 | 165.8 | 0 | 0 | 0 | 112.3 | M111 L120 K121 L127 A128 C155 V167 C170 F171 F174 | M111-L124 HydrophobicContact CE-CD2 3.96Å; M111-L124 HydrophobicContact CE-CG 4Å; L120-L124 WeakPolarHBondContact O-CB 3.34Å; L120-L124 WeakPolarHBondContact O-CD1 3.5Å; L120-L124 VanDerWaalsContact O-CG 3.26Å; L120-L124 WeakPolarHBondContact O-CG 3.24Å; L120-L124 PolarHBondContact O-N 3.42Å; K121-L124 PolarHBondContact O-N 3.37Å; K121-L124 VanDerWaalsContact O-N 3.16Å; L124-L127 PolarHBondContact O-N 2.9Å; L124-A128 WeakPolarHBondContact O-CB 3.45Å; L124-A128 PolarHBondContact O-N 3.48Å; L124-C155 HydrophobicContact CD1-CB 4.04Å; L124-V167 HydrophobicContact CD1-CG1 4.07Å; L124-C170 HydrophobicContact CB-CB 3.92Å; L124-C170 HydrophobicContact CD1-CB 4.1Å; L124-F171 HydrophobicContact CD1-CB 4.04Å; L124-F171 HydrophobicContact CD2-CD2 4.25Å; L124-F174 HydrophobicContact CD2-CB 4.42Å; L124-F174 HydrophobicContact CD2-CD1 4.19Å; L124-F174 HydrophobicContact CD2-CG 4.33Å |
| 125 | Q | 96.9 | Very high | 93.9 | Very high | 38 Ų | 38 | 27.6 Ų | 27.6 | 18% | 0.178 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.2 | -43.9 | 175.5 | -76.7 | 171.5 | -44.9 | 0 | 0 | 111.6 | Y73 K121 T122 A128 S129 C170 | Y73-Q125 HydrophobicContact CD1-CB 3.98Å; Y73-Q125 VanDerWaalsContact CD2-C 3.41Å; Y73-Q125 HydrophobicContact CD2-CB 3.66Å; Y73-Q125 VanDerWaalsContact CD2-O 3.27Å; Y73-Q125 WeakPolarHBondContact CD2-O 3.39Å; Y73-Q125 HydrophobicContact CE1-CB 3.96Å; Y73-Q125 HydrophobicContact CE1-CG 4.31Å; Y73-Q125 HydrophobicContact CE2-CB 3.65Å; Y73-Q125 HydrophobicContact CE2-CG 4.35Å; Y73-Q125 HydrophobicContact CG-CB 3.83Å; K121-Q125 WeakPolarHBondContact O-CB 3.42Å; K121-Q125 VanDerWaalsContact O-CG 3.27Å; K121-Q125 WeakPolarHBondContact O-CG 3.33Å; K121-Q125 PolarHBondContact O-N 3.36Å; K121-Q125 PolarHBondContact O-OE1 3.4Å; T122-Q125 PolarHBondContact O-N 2.73Å; Q125-A128 PolarHBondContact O-N 3.2Å; Q125-S129 PolarHBondContact O-N 3.46Å; Q125-S129 PolarHBondContact O-OG 3.43Å; Q125-C170 HydrophobicContact CG-CB 4.4Å |
| 126 | L | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.4 | -45.4 | 173.3 | 176.1 | 58 | 0 | 0 | 0 | 111.5 | F69 L72 I76 F98 T122 S123 A128 S129 V130 | F69-L126 HydrophobicContact CB-CD2 4.19Å; F69-L126 HydrophobicContact CD1-CD2 3.91Å; F69-L126 HydrophobicContact CG-CD2 4.31Å; L72-L126 HydrophobicContact CB-CD1 3.7Å; L72-L126 HydrophobicContact CB-CD2 4.37Å; L72-L126 HydrophobicContact CD1-CD2 4.5Å; I76-L126 HydrophobicContact CD1-CD1 3.89Å; F98-L126 HydrophobicContact CD2-CD2 3.98Å; F98-L126 HydrophobicContact CE1-CD2 4.39Å; F98-L126 HydrophobicContact CE1-CG 4.3Å; F98-L126 HydrophobicContact CE2-CD2 3.47Å; F98-L126 VanDerWaalsContact CE2-CD2 3.47Å; F98-L126 HydrophobicContact CE2-CG 4.23Å; F98-L126 HydrophobicContact CZ-CD2 3.7Å; F98-L126 HydrophobicContact CZ-CG 4.05Å; T122-L126 VanDerWaalsContact O-CB 3.24Å; T122-L126 WeakPolarHBondContact O-CB 3.47Å; T122-L126 PolarHBondContact O-N 2.86Å; S123-L126 PolarHBondContact O-N 3.05Å; L126-A128 VanDerWaalsContact C-N 3.32Å; L126-A128 PolarHBondContact O-N 3.32Å; L126-S129 WeakPolarHBondContact CA-OG 3.49Å; L126-S129 PolarHBondContact O-N 3.21Å; L126-S129 PolarHBondContact O-OG 3.29Å; L126-V130 HydrophobicContact CD1-CG2 4.24Å; L126-V130 WeakPolarHBondContact O-CB 3.25Å; L126-V130 VanDerWaalsContact O-CG2 3.25Å; L126-V130 WeakPolarHBondContact O-CG2 3.41Å; L126-V130 PolarHBondContact O-N 2.87Å |
| 127 | L | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.4 | -43 | 175.2 | -68.8 | 172 | 0 | 0 | 0 | 111.1 | F98 F104 M111 S123 L124 V130 V131 I145 F174 | F98-L127 HydrophobicContact CE1-CD2 4.07Å; F98-L127 HydrophobicContact CZ-CD2 4.37Å; F104-L127 HydrophobicContact CD2-CD2 4.38Å; F104-L127 HydrophobicContact CE2-CD2 3.43Å; F104-L127 VanDerWaalsContact CE2-CD2 3.43Å; F104-L127 HydrophobicContact CZ-CD2 4.08Å; M111-L127 HydrophobicContact SD-CD1 4.23Å; S123-L127 WeakPolarHBondContact O-CG 3.47Å; S123-L127 PolarHBondContact O-N 3.38Å; L124-L127 PolarHBondContact O-N 2.9Å; L127-V130 PolarHBondContact O-N 3Å; L127-V131 WeakPolarHBondContact O-CG2 3.21Å; L127-V131 PolarHBondContact O-N 2.85Å; L127-I145 HydrophobicContact CD1-CD1 4.24Å; L127-F174 HydrophobicContact CB-CD2 3.73Å; L127-F174 HydrophobicContact CB-CE2 3.6Å; L127-F174 HydrophobicContact CB-CZ 4.47Å |
| 128 | A | 96.5 | Very high | 94.7 | Very high | 16 Ų | 16 | 21.5 Ų | 21.5 | 13% | 0.132 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.6 | -41.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | L124 Q125 L126 V131 T132 F174 | L124-A128 WeakPolarHBondContact O-CB 3.45Å; L124-A128 PolarHBondContact O-N 3.48Å; Q125-A128 PolarHBondContact O-N 3.2Å; L126-A128 VanDerWaalsContact C-N 3.32Å; L126-A128 PolarHBondContact O-N 3.32Å; A128-V131 PolarHBondContact O-N 2.76Å; A128-T132 WeakPolarHBondContact O-CG2 3.49Å; A128-T132 PolarHBondContact O-N 3.3Å; A128-T132 VanDerWaalsContact O-N 3.16Å; A128-F174 HydrophobicContact CB-CB 4.23Å; A128-F174 HydrophobicContact CB-CD2 4.24Å |
| 129 | S | 95.3 | Very high | 94.8 | Very high | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.014 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -67.3 | -39.4 | 178 | 64.6 | 0 | 0 | 0 | 0 | 112 | Q125 L126 V131 T132 V133 | Q125-S129 PolarHBondContact O-N 3.46Å; Q125-S129 PolarHBondContact O-OG 3.43Å; L126-S129 WeakPolarHBondContact CA-OG 3.49Å; L126-S129 PolarHBondContact O-N 3.21Å; L126-S129 PolarHBondContact O-OG 3.29Å; S129-V131 VanDerWaalsContact C-N 3.34Å; S129-V131 PolarHBondContact O-N 3.35Å; S129-T132 WeakPolarHBondContact CA-OG1 3.23Å; S129-T132 PolarHBondContact O-N 2.83Å; S129-T132 PolarHBondContact O-OG1 3.05Å; S129-V133 WeakPolarHBondContact O-CG2 3.45Å |
| 130 | V | 96.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.2 | -43 | 174.2 | 167.4 | 0 | 0 | 0 | 0 | 111.2 | I76 A95 F98 L99 L126 L127 T132 V133 L137 V141 | I76-V130 HydrophobicContact CD1-CG2 4.05Å; A95-V130 HydrophobicContact CB-CG1 4.22Å; A95-V130 HydrophobicContact CB-CG2 4.17Å; F98-V130 HydrophobicContact CD1-CG2 3.81Å; F98-V130 HydrophobicContact CE1-CG2 4.28Å; L99-V130 HydrophobicContact CD1-CG1 3.93Å; L99-V130 HydrophobicContact CD2-CG1 4.12Å; L99-V130 HydrophobicContact CG-CG1 4.01Å; L126-V130 HydrophobicContact CD1-CG2 4.24Å; L126-V130 WeakPolarHBondContact O-CB 3.25Å; L126-V130 VanDerWaalsContact O-CG2 3.25Å; L126-V130 WeakPolarHBondContact O-CG2 3.41Å; L126-V130 PolarHBondContact O-N 2.87Å; L127-V130 PolarHBondContact O-N 3Å; V130-T132 VanDerWaalsContact C-N 3.26Å; V130-T132 PolarHBondContact O-N 3.43Å; V130-V133 PolarHBondContact O-N 3.31Å; V130-L137 HydrophobicContact CG1-CB 4.41Å; V130-V141 HydrophobicContact CG1-CG2 4.01Å |
| 131 | V | 95.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.8 | -37.7 | 176.3 | 169.5 | 0 | 0 | 0 | 0 | 111.3 | L127 A128 S129 V133 A138 V141 F174 S177 F178 L181 | L127-V131 WeakPolarHBondContact O-CG2 3.21Å; L127-V131 PolarHBondContact O-N 2.85Å; A128-V131 PolarHBondContact O-N 2.76Å; S129-V131 VanDerWaalsContact C-N 3.34Å; S129-V131 PolarHBondContact O-N 3.35Å; V131-V133 VanDerWaalsContact C-N 3.25Å; V131-V133 PolarHBondContact O-N 2.87Å; V131-A138 HydrophobicContact CG1-CB 3.86Å; V131-V141 HydrophobicContact CG2-CB 4.11Å; V131-V141 HydrophobicContact CG2-CG1 4.02Å; V131-V141 HydrophobicContact CG2-CG2 4.16Å; V131-F174 HydrophobicContact CG2-CE2 4.18Å; V131-S177 VanDerWaalsContact CG1-OG 3.32Å; V131-S177 WeakPolarHBondContact CG1-OG 3.39Å; V131-F178 HydrophobicContact CB-CE1 4.19Å; V131-F178 HydrophobicContact CB-CZ 4.46Å; V131-F178 HydrophobicContact CG1-CD1 3.53Å; V131-F178 HydrophobicContact CG1-CD2 4.47Å; V131-F178 HydrophobicContact CG1-CE1 3.67Å; V131-F178 HydrophobicContact CG1-CG 3.96Å; V131-F178 HydrophobicContact CG1-CZ 4.23Å; V131-F178 HydrophobicContact CG2-CD1 4.12Å; V131-F178 HydrophobicContact CG2-CE1 3.35Å; V131-F178 HydrophobicContact CG2-CE2 4.17Å; V131-F178 HydrophobicContact CG2-CZ 3.39Å; V131-L181 HydrophobicContact CG1-CD1 3.78Å; V131-L181 WeakPolarHBondContact O-CD1 3.47Å |
| 132 | T | 91.8 | Very high | 94.8 | Very high | 36 Ų | 36 | 21.7 Ų | 21.7 | 22% | 0.221 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -72.2 | -11.5 | -179.1 | 53 | 0 | 0 | 0 | 0 | 115.1 | A128 S129 V130 | A128-T132 WeakPolarHBondContact O-CG2 3.49Å; A128-T132 PolarHBondContact O-N 3.3Å; A128-T132 VanDerWaalsContact O-N 3.16Å; S129-T132 WeakPolarHBondContact CA-OG1 3.23Å; S129-T132 PolarHBondContact O-N 2.83Å; S129-T132 PolarHBondContact O-OG1 3.05Å; V130-T132 VanDerWaalsContact C-N 3.26Å; V130-T132 PolarHBondContact O-N 3.43Å |
| 133 | V | 92.7 | Very high | 94.6 | Very high | 34 Ų | 34 | 28.9 Ų | 28.9 | 21% | 0.206 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -73.7 | -47.5 | -178.2 | 178 | 0 | 0 | 0 | 0 | 112 | I76 R92 A95 S129 V130 V131 L137 | I76-V133 HydrophobicContact CG2-CG2 3.62Å; R92-V133 HydrophobicContact CB-CG1 4.21Å; A95-V133 HydrophobicContact CB-CB 4.48Å; A95-V133 HydrophobicContact CB-CG2 4.07Å; S129-V133 WeakPolarHBondContact O-CG2 3.45Å; V130-V133 PolarHBondContact O-N 3.31Å; V131-V133 VanDerWaalsContact C-N 3.25Å; V131-V133 PolarHBondContact O-N 2.87Å; V133-L137 HydrophobicContact CB-CD1 3.81Å; V133-L137 HydrophobicContact CG1-CD1 3.74Å |
| 134 | S | 90.8 | Very high | 94.3 | Very high | 33 Ų | 33 | 34.5 Ų | 34.5 | 23% | 0.231 | 17% | 0.167 | C | C | . | . | trans | -159.4 | 159.5 | -179.6 | 79 | 0 | 0 | 0 | 0 | 113.1 | D136 L137 A138 | S134-D136 VanDerWaalsContact C-N 3.32Å; S134-D136 PolarHBondContact O-N 2.75Å; S134-L137 PolarHBondContact O-N 3.32Å; S134-L137 WeakPolarHBondContact OG-CD1 3.34Å; S134-L137 VanDerWaalsContact OG-CG 3.25Å; S134-L137 WeakPolarHBondContact OG-CG 3.22Å; S134-L137 PolarHBondContact OG-N 3.29Å; S134-A138 PolarHBondContact O-N 3.31Å | ||
| 135 | E | 93.1 | Very high | 94 | Very high | 91 Ų | 91 | 34.7 Ų | 34.7 | 43% | 0.425 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.6 | -36.9 | 178.8 | -53.6 | 178.1 | 164.3 | 0 | 0 | 112.4 | A138 R139 N183 V186 | E135-A138 WeakPolarHBondContact O-CB 3.34Å; E135-A138 PolarHBondContact O-N 3.41Å; E135-R139 WeakPolarHBondContact O-CG 3.5Å; E135-R139 PolarHBondContact O-N 2.82Å; E135-N183 HydrophobicContact CG-CB 4.04Å; E135-N183 WeakPolarHBondContact OE1-CB 3.43Å; E135-N183 PolarHBondContact OE1-ND2 3.31Å; E135-N183 PolarHBondContact OE2-ND2 2.76Å; E135-V186 HydrophobicContact CB-CG2 4.18Å |
| 136 | D | 93.3 | Very high | 93.7 | Very high | 102 Ų | 102 | 37 Ų | 37 | 55% | 0.545 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -68.3 | -39.9 | 180 | -67.8 | -42.4 | 0 | 0 | 0 | 112.1 | S134 R139 A140 | S134-D136 VanDerWaalsContact C-N 3.32Å; S134-D136 PolarHBondContact O-N 2.75Å; D136-R139 PolarHBondContact O-N 2.88Å; D136-R139 IonicContact OD1-CZ 3.61Å; D136-R139 IonicContact OD1-NE 2.76Å; D136-R139 IonicContact OD1-NH2 3.62Å; D136-R139 PolarHBondContact OD1-NH2 3.47Å; D136-A140 WeakPolarHBondContact O-CB 3.44Å; D136-A140 PolarHBondContact O-N 3.3Å |
| 137 | L | 93.7 | Very high | 93.5 | Very high | 12 Ų | 12 | 37.1 Ų | 37.1 | 6% | 0.063 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.4 | -40 | 174.6 | -66 | 170.8 | 0 | 0 | 0 | 111 | A95 E96 L99 V130 V133 S134 R139 A140 V141 | A95-L137 HydrophobicContact CB-CD1 3.68Å; E96-L137 HydrophobicContact CG-CD2 3.86Å; L99-L137 HydrophobicContact CD1-CB 4.2Å; L99-L137 HydrophobicContact CD1-CD2 3.57Å; L99-L137 HydrophobicContact CD1-CG 4.5Å; L99-L137 HydrophobicContact CG-CD2 4.47Å; V130-L137 HydrophobicContact CG1-CB 4.41Å; V133-L137 HydrophobicContact CB-CD1 3.81Å; V133-L137 HydrophobicContact CG1-CD1 3.74Å; S134-L137 PolarHBondContact O-N 3.32Å; S134-L137 WeakPolarHBondContact OG-CD1 3.34Å; S134-L137 VanDerWaalsContact OG-CG 3.25Å; S134-L137 WeakPolarHBondContact OG-CG 3.22Å; S134-L137 PolarHBondContact OG-N 3.29Å; L137-R139 PolarHBondContact O-N 3.25Å; L137-A140 WeakPolarHBondContact O-CB 3.48Å; L137-A140 PolarHBondContact O-N 3Å; L137-V141 WeakPolarHBondContact O-CG2 3.29Å; L137-V141 PolarHBondContact O-N 2.77Å |
| 138 | A | 95.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.4 | -46.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V131 S134 E135 A140 V141 L142 F178 L181 V186 | V131-A138 HydrophobicContact CG1-CB 3.86Å; S134-A138 PolarHBondContact O-N 3.31Å; E135-A138 WeakPolarHBondContact O-CB 3.34Å; E135-A138 PolarHBondContact O-N 3.41Å; A138-A140 VanDerWaalsContact C-N 3.35Å; A138-A140 PolarHBondContact O-N 2.87Å; A138-V141 PolarHBondContact O-N 3.08Å; A138-L142 WeakPolarHBondContact O-CG 3.26Å; A138-L142 PolarHBondContact O-N 3.05Å; A138-F178 HydrophobicContact CB-CD1 4.13Å; A138-F178 HydrophobicContact CB-CE1 4.25Å; A138-F178 WeakPolarHBondContact O-CE1 3.47Å; A138-L181 HydrophobicContact CB-CD1 3.37Å; A138-V186 HydrophobicContact CB-CG1 3.98Å; A138-V186 HydrophobicContact CB-CG2 4.31Å |
| 139 | R | 95.4 | Very high | 92.9 | Very high | 65 Ų | 65 | 40.6 Ų | 40.6 | 25% | 0.245 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.3 | -38.3 | 175.5 | -63.9 | 179.5 | -47.2 | 107.5 | 0.4 | 111.9 | E135 D136 L137 L142 R143 V186 E189 | E135-R139 WeakPolarHBondContact O-CG 3.5Å; E135-R139 PolarHBondContact O-N 2.82Å; D136-R139 PolarHBondContact O-N 2.88Å; D136-R139 IonicContact OD1-CZ 3.61Å; D136-R139 IonicContact OD1-NE 2.76Å; D136-R139 IonicContact OD1-NH2 3.62Å; D136-R139 PolarHBondContact OD1-NH2 3.47Å; L137-R139 PolarHBondContact O-N 3.25Å; R139-L142 PolarHBondContact O-N 3.41Å; R139-R143 VanDerWaalsContact O-CG 3.24Å; R139-R143 WeakPolarHBondContact O-CG 3.39Å; R139-R143 PolarHBondContact O-N 3.43Å; R139-V186 HydrophobicContact CG-CG2 3.9Å; R139-E189 WeakPolarHBondContact CG-OE2 3.23Å |
| 140 | A | 93 | Very high | 92.6 | Very high | 26 Ų | 26 | 44.4 Ų | 44.4 | 22% | 0.215 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.6 | -49.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | L99 D136 L137 A138 L142 R143 Y144 | L99-A140 HydrophobicContact CD1-CB 3.83Å; D136-A140 WeakPolarHBondContact O-CB 3.44Å; D136-A140 PolarHBondContact O-N 3.3Å; L137-A140 WeakPolarHBondContact O-CB 3.48Å; L137-A140 PolarHBondContact O-N 3Å; A138-A140 VanDerWaalsContact C-N 3.35Å; A138-A140 PolarHBondContact O-N 2.87Å; A140-L142 PolarHBondContact O-N 3.08Å; A140-R143 WeakPolarHBondContact O-CB 3.39Å; A140-R143 PolarHBondContact O-N 3.41Å; A140-Y144 WeakPolarHBondContact O-CD2 3.4Å; A140-Y144 PolarHBondContact O-N 3.33Å |
| 141 | V | 95 | Very high | 92.4 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.6 | -46.1 | 175.7 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | L99 V130 V131 L137 A138 R143 Y144 I145 F174 F178 | L99-V141 HydrophobicContact CD1-CG2 3.98Å; L99-V141 HydrophobicContact CD2-CG2 3.79Å; V130-V141 HydrophobicContact CG1-CG2 4.01Å; V131-V141 HydrophobicContact CG2-CB 4.11Å; V131-V141 HydrophobicContact CG2-CG1 4.02Å; V131-V141 HydrophobicContact CG2-CG2 4.16Å; L137-V141 WeakPolarHBondContact O-CG2 3.29Å; L137-V141 PolarHBondContact O-N 2.77Å; A138-V141 PolarHBondContact O-N 3.08Å; V141-R143 VanDerWaalsContact C-N 3.29Å; V141-R143 PolarHBondContact O-N 2.91Å; V141-Y144 PolarHBondContact O-N 3.22Å; V141-I145 HydrophobicContact CG1-CD1 3.38Å; V141-I145 HydrophobicContact CG1-CG1 4.24Å; V141-I145 WeakPolarHBondContact O-CG1 3.18Å; V141-I145 PolarHBondContact O-N 2.84Å; V141-I145 VanDerWaalsContact O-N 3.08Å; V141-F174 HydrophobicContact CG1-CE2 4.11Å; V141-F174 HydrophobicContact CG1-CZ 4.13Å; V141-F178 HydrophobicContact CB-CE1 4.45Å; V141-F178 HydrophobicContact CB-CZ 4.4Å; V141-F178 HydrophobicContact CG1-CE1 4.36Å; V141-F178 HydrophobicContact CG1-CZ 3.83Å |
| 142 | L | 94.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.5 | -39 | 177.5 | -75.3 | 174.4 | 0 | 0 | 0 | 112.3 | A138 R139 A140 Y144 F147 F178 V186 E189 L190 K193 | A138-L142 WeakPolarHBondContact O-CG 3.26Å; A138-L142 PolarHBondContact O-N 3.05Å; R139-L142 PolarHBondContact O-N 3.41Å; A140-L142 PolarHBondContact O-N 3.08Å; L142-Y144 VanDerWaalsContact C-N 3.33Å; L142-Y144 PolarHBondContact O-N 2.92Å; L142-F147 HydrophobicContact CD2-CE2 4.3Å; L142-F178 HydrophobicContact CD1-CD1 3.94Å; L142-F178 HydrophobicContact CD1-CE1 4.12Å; L142-F178 HydrophobicContact CD2-CD1 3.99Å; L142-F178 HydrophobicContact CD2-CD2 4.43Å; L142-F178 HydrophobicContact CD2-CE1 3.71Å; L142-F178 HydrophobicContact CD2-CE2 4.17Å; L142-F178 HydrophobicContact CD2-CG 4.34Å; L142-F178 HydrophobicContact CD2-CZ 3.79Å; L142-F178 HydrophobicContact CG-CD1 3.81Å; L142-F178 HydrophobicContact CG-CE1 3.48Å; L142-F178 VanDerWaalsContact CG-CE1 3.48Å; L142-F178 HydrophobicContact CG-CZ 4.03Å; L142-V186 HydrophobicContact CD1-CG1 4.07Å; L142-E189 HydrophobicContact CD1-CB 4.07Å; L142-E189 HydrophobicContact CD1-CG 4.16Å; L142-L190 HydrophobicContact CD1-CB 4.2Å; L142-L190 HydrophobicContact CD2-CB 4.29Å; L142-L190 HydrophobicContact CD2-CD1 3.72Å; L142-K193 WeakPolarHBondContact O-CE 3.49Å; L142-K193 PolarHBondContact O-NZ 3.37Å |
| 143 | R | 91 | Very high | 92.4 | Very high | 151 Ų | 151 | 47.6 Ų | 47.6 | 57% | 0.57 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -59.7 | -42.8 | -179.5 | -75.8 | 165.8 | 179.8 | -166.6 | -4.4 | 112.3 | R139 A140 V141 E189 K193 | R139-R143 VanDerWaalsContact O-CG 3.24Å; R139-R143 WeakPolarHBondContact O-CG 3.39Å; R139-R143 PolarHBondContact O-N 3.43Å; A140-R143 WeakPolarHBondContact O-CB 3.39Å; A140-R143 PolarHBondContact O-N 3.41Å; V141-R143 VanDerWaalsContact C-N 3.29Å; V141-R143 PolarHBondContact O-N 2.91Å; R143-E189 IonicContact NE-OE1 3.42Å; R143-K193 PolarHBondContact O-NZ 2.89Å |
| 144 | Y | 89.4 | Confident | 92.3 | Very high | 118 Ų | 118 | 48.4 Ų | 48.4 | 46% | 0.463 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -88.6 | -22 | -175.2 | -66.1 | -78.6 | 0 | 0 | 0 | 114.6 | D101 F104 A140 V141 L142 | D101-Y144 PolarHBondContact OD1-OH 2.96Å; F104-Y144 HydrophobicContact CD1-CD2 4.5Å; F104-Y144 HydrophobicContact CD1-CG 4.26Å; F104-Y144 HydrophobicContact CE1-CD2 4.4Å; F104-Y144 HydrophobicContact CE1-CG 4.06Å; A140-Y144 WeakPolarHBondContact O-CD2 3.4Å; A140-Y144 PolarHBondContact O-N 3.33Å; V141-Y144 PolarHBondContact O-N 3.22Å; L142-Y144 VanDerWaalsContact C-N 3.33Å; L142-Y144 PolarHBondContact O-N 2.92Å |
| 145 | I | 91.1 | Very high | 92.5 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | trans | -79.2 | 130.3 | 179.7 | -70.5 | 176.6 | 0 | 0 | 0 | 111.3 | F104 L127 V141 F147 M152 F174 K193 | F104-I145 HydrophobicContact CZ-CG1 4.22Å; L127-I145 HydrophobicContact CD1-CD1 4.24Å; V141-I145 HydrophobicContact CG1-CD1 3.38Å; V141-I145 HydrophobicContact CG1-CG1 4.24Å; V141-I145 WeakPolarHBondContact O-CG1 3.18Å; V141-I145 PolarHBondContact O-N 2.84Å; V141-I145 VanDerWaalsContact O-N 3.08Å; I145-F147 HydrophobicContact CG2-CD1 4.27Å; I145-F147 HydrophobicContact CG2-CD2 4.18Å; I145-F147 HydrophobicContact CG2-CE1 4Å; I145-F147 HydrophobicContact CG2-CE2 3.93Å; I145-F147 HydrophobicContact CG2-CG 4.36Å; I145-F147 HydrophobicContact CG2-CZ 3.84Å; I145-M152 HydrophobicContact CG2-CE 4.34Å; I145-M152 HydrophobicContact CG2-CG 4.43Å; I145-M152 HydrophobicContact CG2-SD 4.42Å; I145-F174 HydrophobicContact CD1-CE1 4Å; I145-F174 HydrophobicContact CD1-CE2 4.2Å; I145-F174 HydrophobicContact CD1-CZ 3.34Å; I145-K193 PolarHBondContact O-NZ 3.03Å | ||
| 146 | D | 90.2 | Very high | 92.5 | Very high | 86 Ų | 86 | 42.7 Ų | 42.7 | 46% | 0.46 | 22% | 0.215 | S | C | . | . | trans | -107.6 | 106.2 | 171.6 | 176.3 | 19.9 | 0 | 0 | 0 | 110.1 | D148 S149 M152 | D146-D148 PolarHBondContact O-N 2.89Å; D146-D148 WeakPolarHBondContact OD1-CB 3.39Å; D146-D148 PolarHBondContact OD1-N 3Å; D146-S149 VanDerWaalsContact O-CB 3.25Å; D146-S149 WeakPolarHBondContact O-CB 3.45Å; D146-S149 PolarHBondContact O-N 3.21Å; D146-S149 PolarHBondContact O-OG 3.46Å; D146-S149 PolarHBondContact OD2-N 3.32Å; D146-M152 WeakPolarHBondContact O-CG 3.3Å | ||
| 147 | F | 93.4 | Very high | 92.4 | Very high | 3 Ų | 3 | 42.4 Ų | 42.4 | 1% | 0.013 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -15.9 | 177.1 | -67.4 | -76.8 | 0 | 0 | 0 | 113 | L142 I145 S149 F174 L175 L190 K193 A196 L199 | L142-F147 HydrophobicContact CD2-CE2 4.3Å; I145-F147 HydrophobicContact CG2-CD1 4.27Å; I145-F147 HydrophobicContact CG2-CD2 4.18Å; I145-F147 HydrophobicContact CG2-CE1 4Å; I145-F147 HydrophobicContact CG2-CE2 3.93Å; I145-F147 HydrophobicContact CG2-CG 4.36Å; I145-F147 HydrophobicContact CG2-CZ 3.84Å; F147-S149 VanDerWaalsContact C-N 3.26Å; F147-S149 PolarHBondContact O-N 3.41Å; F147-F174 HydrophobicContact CE1-CE1 4.09Å; F147-F174 HydrophobicContact CZ-CE1 4.25Å; F147-L175 HydrophobicContact CD1-CD2 4.42Å; F147-L175 HydrophobicContact CE1-CD2 3.47Å; F147-L175 VanDerWaalsContact CE1-CD2 3.47Å; F147-L175 HydrophobicContact CE1-CG 4.47Å; F147-L175 HydrophobicContact CZ-CD2 3.67Å; F147-L190 HydrophobicContact CE2-CD1 4.38Å; F147-L190 HydrophobicContact CZ-CD1 4.26Å; F147-K193 HydrophobicContact CD2-CB 3.91Å; F147-K193 HydrophobicContact CD2-CG 4.44Å; F147-K193 HydrophobicContact CE2-CB 4.08Å; F147-K193 HydrophobicContact CE2-CG 4.33Å; F147-A196 HydrophobicContact CB-CB 4.41Å; F147-A196 HydrophobicContact CD1-CB 4.03Å; F147-A196 HydrophobicContact CD2-CB 3.66Å; F147-A196 HydrophobicContact CE1-CB 4.19Å; F147-A196 HydrophobicContact CE2-CB 3.8Å; F147-A196 HydrophobicContact CG-CB 3.76Å; F147-A196 HydrophobicContact CZ-CB 4.07Å; F147-L199 HydrophobicContact CB-CD1 4.4Å; F147-L199 VanDerWaalsContact O-CD1 3.31Å; F147-L199 WeakPolarHBondContact O-CD1 3.42Å |
| 148 | D | 89.7 | Confident | 92.4 | Very high | 69 Ų | 69 | 45.9 Ų | 45.9 | 37% | 0.369 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -11.2 | 173.9 | -81.9 | -41.1 | 0 | 0 | 0 | 112.7 | D146 K153 | D146-D148 PolarHBondContact O-N 2.89Å; D146-D148 WeakPolarHBondContact OD1-CB 3.39Å; D146-D148 PolarHBondContact OD1-N 3Å; D148-K153 WeakPolarHBondContact O-CE 3.1Å; D148-K153 PolarHBondContact O-NZ 2.89Å; D148-K153 IonicContact OD1-NZ 3.43Å |
| 149 | S | 90.2 | Very high | 92.2 | Very high | 20 Ų | 20 | 49.3 Ų | 49.3 | 14% | 0.14 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -61.6 | 146.2 | 179.2 | 71.8 | 0 | 0 | 0 | 0 | 112.9 | D146 F147 T151 M152 K153 | D146-S149 VanDerWaalsContact O-CB 3.25Å; D146-S149 WeakPolarHBondContact O-CB 3.45Å; D146-S149 PolarHBondContact O-N 3.21Å; D146-S149 PolarHBondContact O-OG 3.46Å; D146-S149 PolarHBondContact OD2-N 3.32Å; F147-S149 VanDerWaalsContact C-N 3.26Å; F147-S149 PolarHBondContact O-N 3.41Å; S149-T151 PolarHBondContact O-N 2.91Å; S149-M152 PolarHBondContact O-N 2.96Å; S149-M152 WeakPolarHBondContact OG-CG 2.94Å; S149-M152 PolarHBondContact OG-N 3.17Å; S149-K153 PolarHBondContact O-N 2.93Å; S149-K153 VanDerWaalsContact O-N 3.12Å |
| 150 | A | 90 | Very high | 92 | Very high | 81 Ų | 81 | 49.7 Ų | 49.7 | 67% | 0.669 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -58.4 | -31.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K154 | A150-K154 VanDerWaalsContact O-CB 3.22Å; A150-K154 WeakPolarHBondContact O-CB 3.24Å; A150-K154 PolarHBondContact O-N 3.46Å |
| 151 | T | 91.4 | Very high | 91.7 | Very high | 16 Ų | 16 | 51 Ų | 51 | 10% | 0.098 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.9 | -46.6 | 177.2 | -50.1 | 0 | 0 | 0 | 0 | 111.9 | M111 R112 S149 K154 C155 | M111-T151 HydrophobicContact CB-CG2 3.89Å; R112-T151 WeakPolarHBondContact CG-OG1 3.29Å; S149-T151 PolarHBondContact O-N 2.91Å; T151-K154 WeakPolarHBondContact O-CB 3.34Å; T151-K154 PolarHBondContact O-N 3.28Å; T151-C155 PolarHBondContact O-N 2.95Å; T151-C155 PolarHBondContact O-SG 3.37Å |
| 152 | M | 94 | Very high | 91.4 | Very high | 5 Ų | 5 | 57.4 Ų | 57.4 | 3% | 0.025 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.2 | -41 | 179.5 | -69.9 | -60.5 | 149 | 0 | 0 | 111.2 | M111 I145 D146 S149 K154 C155 S156 F171 L199 | M111-M152 HydrophobicContact CE-CE 4.09Å; I145-M152 HydrophobicContact CG2-CE 4.34Å; I145-M152 HydrophobicContact CG2-CG 4.43Å; I145-M152 HydrophobicContact CG2-SD 4.42Å; D146-M152 WeakPolarHBondContact O-CG 3.3Å; S149-M152 PolarHBondContact O-N 2.96Å; S149-M152 WeakPolarHBondContact OG-CG 2.94Å; S149-M152 PolarHBondContact OG-N 3.17Å; M152-K154 PolarHBondContact O-N 3.01Å; M152-C155 PolarHBondContact O-N 3.46Å; M152-S156 WeakPolarHBondContact O-CB 3.25Å; M152-S156 PolarHBondContact O-N 3.01Å; M152-S156 PolarHBondContact O-OG 3.43Å; M152-F171 HydrophobicContact CB-CE2 4.46Å; M152-F171 HydrophobicContact SD-CE2 4.08Å; M152-L199 HydrophobicContact CB-CD1 4.29Å |
| 153 | K | 92.9 | Very high | 91.1 | Very high | 82 Ų | 82 | 59.4 Ų | 59.4 | 36% | 0.357 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -57 | -50 | 171.5 | -74.8 | 167.6 | 178.8 | 158.4 | 0 | 111.7 | D148 S149 C155 S156 Q157 L199 | D148-K153 WeakPolarHBondContact O-CE 3.1Å; D148-K153 PolarHBondContact O-NZ 2.89Å; D148-K153 IonicContact OD1-NZ 3.43Å; S149-K153 PolarHBondContact O-N 2.93Å; S149-K153 VanDerWaalsContact O-N 3.12Å; K153-C155 PolarHBondContact O-N 3.24Å; K153-S156 PolarHBondContact O-N 2.85Å; K153-S156 VanDerWaalsContact O-N 3.15Å; K153-S156 PolarHBondContact O-OG 3.44Å; K153-Q157 WeakPolarHBondContact O-CG 3.47Å; K153-Q157 PolarHBondContact O-N 3.27Å; K153-L199 HydrophobicContact CG-CD1 4.37Å; K153-L199 HydrophobicContact CG-CD2 3.82Å |
| 154 | K | 91.7 | Very high | 91 | Very high | 51 Ų | 51 | 61.4 Ų | 61.4 | 22% | 0.222 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57 | -46.1 | 175.5 | 177.8 | -170.9 | 176.6 | -174.2 | 0 | 112.3 | S114 Q115 A150 T151 M152 S156 Q157 R158 | S114-K154 PolarHBondContact O-NZ 3.22Å; Q115-K154 VanDerWaalsContact CD-NZ 3.3Å; Q115-K154 VanDerWaalsContact OE1-CE 3.31Å; A150-K154 VanDerWaalsContact O-CB 3.22Å; A150-K154 WeakPolarHBondContact O-CB 3.24Å; A150-K154 PolarHBondContact O-N 3.46Å; T151-K154 WeakPolarHBondContact O-CB 3.34Å; T151-K154 PolarHBondContact O-N 3.28Å; M152-K154 PolarHBondContact O-N 3.01Å; K154-S156 VanDerWaalsContact C-N 3.31Å; K154-S156 PolarHBondContact O-N 2.81Å; K154-Q157 PolarHBondContact O-N 3.03Å; K154-R158 WeakPolarHBondContact O-CB 3.33Å; K154-R158 PolarHBondContact O-N 2.9Å; K154-R158 VanDerWaalsContact O-N 3.12Å |
| 155 | C | 93.7 | Very high | 91 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.2 | -39.8 | 178.1 | -66.7 | 0 | 0 | 0 | 0 | 111.5 | L124 T151 M152 K153 Q157 V167 F171 | L124-C155 HydrophobicContact CD1-CB 4.04Å; T151-C155 PolarHBondContact O-N 2.95Å; T151-C155 PolarHBondContact O-SG 3.37Å; M152-C155 PolarHBondContact O-N 3.46Å; K153-C155 PolarHBondContact O-N 3.24Å; C155-Q157 PolarHBondContact O-N 2.64Å; C155-V167 HydrophobicContact CB-CG1 4.15Å; C155-F171 HydrophobicContact CB-CD2 3.97Å |
| 156 | S | 94 | Very high | 91.1 | Very high | 4 Ų | 4 | 57.8 Ų | 57.8 | 3% | 0.028 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.3 | -12.8 | 179.7 | 77.4 | 0 | 0 | 0 | 0 | 114.8 | M152 K153 K154 R168 F171 | M152-S156 WeakPolarHBondContact O-CB 3.25Å; M152-S156 PolarHBondContact O-N 3.01Å; M152-S156 PolarHBondContact O-OG 3.43Å; K153-S156 PolarHBondContact O-N 2.85Å; K153-S156 VanDerWaalsContact O-N 3.15Å; K153-S156 PolarHBondContact O-OG 3.44Å; K154-S156 VanDerWaalsContact C-N 3.31Å; K154-S156 PolarHBondContact O-N 2.81Å; S156-R168 WeakPolarHBondContact O-CD 3.44Å; S156-R168 PolarHBondContact O-NE 3.5Å; S156-R168 PolarHBondContact O-NH1 3.16Å; S156-F171 VanDerWaalsContact CB-CE1 3.42Å |
| 157 | Q | 92 | Very high | 91.4 | Very high | 97 Ų | 97 | 53.9 Ų | 53.9 | 45% | 0.453 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -115.1 | -17.8 | -176.1 | -64.5 | 178.6 | -48.3 | 0 | 0 | 113.5 | K153 K154 C155 R159 E203 | K153-Q157 WeakPolarHBondContact O-CG 3.47Å; K153-Q157 PolarHBondContact O-N 3.27Å; K154-Q157 PolarHBondContact O-N 3.03Å; C155-Q157 PolarHBondContact O-N 2.64Å; Q157-R159 PolarHBondContact O-N 3.26Å; Q157-E203 WeakPolarHBondContact CG-OE1 3.25Å; Q157-E203 PolarHBondContact NE2-OE1 2.89Å |
| 158 | R | 92 | Very high | 91.5 | Very high | 84 Ų | 84 | 53.7 Ų | 53.7 | 32% | 0.317 | 28% | 0.278 | S | S | . | . | trans | -77.9 | 92.9 | -173.7 | -172.7 | 172.7 | -175.2 | 173.8 | 8.5 | 111.6 | Q115 K154 V167 R168 | Q115-R158 VanDerWaalsContact O-CZ 3.27Å; Q115-R158 PolarHBondContact O-NH1 3.34Å; Q115-R158 PolarHBondContact O-NH2 2.75Å; K154-R158 WeakPolarHBondContact O-CB 3.33Å; K154-R158 PolarHBondContact O-N 2.9Å; K154-R158 VanDerWaalsContact O-N 3.12Å; R158-V167 HydrophobicContact CB-CB 4.14Å; R158-V167 HydrophobicContact CB-CG1 4.26Å; R158-V167 HydrophobicContact CG-CB 4.27Å; R158-V167 HydrophobicContact CG-CG2 4.38Å; R158-R168 PolarHBondContact O-N 2.94Å; R158-R168 VanDerWaalsContact O-N 3.08Å | ||
| 159 | R | 91.5 | Very high | 91.8 | Very high | 73 Ų | 73 | 50.9 Ų | 50.9 | 28% | 0.275 | 26% | 0.263 | S | S | . | . | trans | -92.6 | 150.8 | 177.9 | -75.2 | 177.2 | -68.6 | -73.8 | -6.8 | 114 | Q157 D166 R168 E203 D207 | Q157-R159 PolarHBondContact O-N 3.26Å; R159-D166 WeakPolarHBondContact CA-OD2 3.27Å; R159-R168 HydrophobicContact CG-CB 3.89Å; R159-R168 HydrophobicContact CG-CG 3.93Å; R159-E203 IonicContact CZ-OE2 3.32Å; R159-E203 IonicContact NH1-OE2 4Å; R159-E203 PolarHBondContact NH1-OE2 2.88Å; R159-E203 IonicContact NH2-OE2 3.38Å; R159-E203 PolarHBondContact NH2-OE2 3.43Å; R159-D207 WeakPolarHBondContact CD-OD1 3.39Å | ||
| 160 | N | 91 | Very high | 92.1 | Very high | 72 Ų | 72 | 50 Ų | 50 | 39% | 0.385 | 26% | 0.257 | S | S | . | . | trans | -140.7 | 117.3 | 161.9 | -177.8 | -13 | 0 | 0 | 0 | 109.2 | V162 D163 D166 K208 | N160-V162 PolarHBondContact OD1-N 3.27Å; N160-D163 HydrophobicContact CB-CB 3.95Å; N160-D163 PolarHBondContact OD1-N 2.84Å; N160-D166 HydrophobicContact CB-CB 3.79Å; N160-D166 PolarHBondContact N-OD2 2.89Å; N160-K208 VanDerWaalsContact O-CE 3.26Å; N160-K208 WeakPolarHBondContact O-CE 3.16Å; N160-K208 PolarHBondContact O-NZ 3.28Å | ||
| 161 | L | 87.5 | Confident | 92.4 | Very high | 53 Ų | 53 | 46.2 Ų | 46.2 | 28% | 0.277 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -71.2 | -31.7 | -177.1 | -61.2 | 176.3 | 0 | 0 | 0 | 112.6 | E254 K256 | L161-E254 HydrophobicContact CD2-CB 4.01Å; L161-E254 HydrophobicContact CD2-CG 4.13Å; L161-K256 HydrophobicContact CD1-CG 4Å |
| 162 | V | 88.2 | Confident | 92.7 | Very high | 135 Ų | 135 | 45.4 Ų | 45.4 | 82% | 0.818 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -76 | -38.8 | -178.3 | -177.2 | 0 | 0 | 0 | 0 | 111.3 | N160 K164 | N160-V162 PolarHBondContact OD1-N 3.27Å; V162-K164 PolarHBondContact O-N 3.31Å |
| 163 | D | 89.3 | Confident | 92.8 | Very high | 42 Ų | 42 | 48.4 Ų | 48.4 | 23% | 0.225 | 24% | 0.237 | C | C | . | . | trans | -80.4 | 115.2 | -175.4 | 178.2 | 2.6 | 0 | 0 | 0 | 111 | K121 N160 C165 D166 K208 | K121-D163 WeakPolarHBondContact CE-OD2 3.48Å; K121-D163 IonicContact NZ-OD1 3.5Å; K121-D163 IonicContact NZ-OD2 3.25Å; K121-D163 PolarHBondContact NZ-OD2 3.05Å; N160-D163 HydrophobicContact CB-CB 3.95Å; N160-D163 PolarHBondContact OD1-N 2.84Å; D163-C165 PolarHBondContact O-N 3.39Å; D163-C165 VanDerWaalsContact O-N 3.16Å; D163-C165 PolarHBondContact OD1-N 3.34Å; D163-D166 HydrophobicContact CB-CB 4.32Å; D163-K208 PolarHBondContact O-NZ 3.16Å | ||
| 164 | K | 87 | Confident | 93 | Very high | 193 Ų | 193 | 44.5 Ų | 44.5 | 84% | 0.839 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -34.5 | -179.8 | -68.6 | -175.8 | -179.6 | 178.8 | 0 | 113.1 | V162 | V162-K164 PolarHBondContact O-N 3.31Š|
| 165 | C | 90 | Very high | 93.2 | Very high | 45 Ų | 45 | 42.1 Ų | 42.1 | 30% | 0.304 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.9 | 70.1 | -176.9 | -160.2 | 0 | 0 | 0 | 0 | 110.8 | K121 D163 C170 | K121-C165 WeakPolarHBondContact CD-O 3.34Å; K121-C165 VanDerWaalsContact CE-O 3.26Å; K121-C165 WeakPolarHBondContact CE-O 3.45Å; D163-C165 PolarHBondContact O-N 3.39Å; D163-C165 VanDerWaalsContact O-N 3.16Å; D163-C165 PolarHBondContact OD1-N 3.34Å; C165-C170 VanDerWaalsContact SG-SG 3.63Å |
| 166 | D | 94 | Very high | 93.4 | Very high | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | trans | -80 | 171.1 | 179.1 | 66.6 | -47.1 | 0 | 0 | 0 | 113.1 | R159 N160 D163 R168 T169 C170 K208 | R159-D166 WeakPolarHBondContact CA-OD2 3.27Å; N160-D166 HydrophobicContact CB-CB 3.79Å; N160-D166 PolarHBondContact N-OD2 2.89Å; D163-D166 HydrophobicContact CB-CB 4.32Å; D166-R168 VanDerWaalsContact C-N 3.26Å; D166-R168 PolarHBondContact O-N 2.9Å; D166-T169 WeakPolarHBondContact O-CA 3.49Å; D166-T169 WeakPolarHBondContact O-CB 3.3Å; D166-T169 PolarHBondContact O-N 2.85Å; D166-T169 WeakPolarHBondContact OD1-CB 3.46Å; D166-T169 PolarHBondContact OD1-OG1 3.23Å; D166-C170 PolarHBondContact O-N 3.39Å; D166-K208 IonicContact OD1-NZ 2.64Å; D166-K208 PolarHBondContact OD1-NZ 3.04Å; D166-K208 IonicContact OD2-NZ 2.86Å | ||
| 167 | V | 95.7 | Very high | 93.4 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.6 | -40.3 | -175.9 | 179.8 | 0 | 0 | 0 | 0 | 111.8 | A117 L120 K121 L124 C155 R158 C170 F171 | A117-V167 HydrophobicContact CB-CG2 4.06Å; A117-V167 WeakPolarHBondContact O-CG2 3.37Å; L120-V167 HydrophobicContact CB-CG1 3.94Å; L120-V167 HydrophobicContact CB-CG2 4.12Å; L120-V167 HydrophobicContact CD1-CG1 4.33Å; K121-V167 HydrophobicContact CG-CG2 3.79Å; L124-V167 HydrophobicContact CD1-CG1 4.07Å; C155-V167 HydrophobicContact CB-CG1 4.15Å; R158-V167 HydrophobicContact CB-CB 4.14Å; R158-V167 HydrophobicContact CB-CG1 4.26Å; R158-V167 HydrophobicContact CG-CB 4.27Å; R158-V167 HydrophobicContact CG-CG2 4.38Å; V167-C170 PolarHBondContact O-N 2.98Å; V167-F171 WeakPolarHBondContact O-CB 3.11Å; V167-F171 PolarHBondContact O-N 3.32Å |
| 168 | R | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.4 | -48.2 | 173.5 | 175.2 | 66.1 | -179.6 | 147.3 | 10.7 | 112.1 | S156 R158 R159 D166 C170 F171 I172 L199 L200 D207 | S156-R168 WeakPolarHBondContact O-CD 3.44Å; S156-R168 PolarHBondContact O-NE 3.5Å; S156-R168 PolarHBondContact O-NH1 3.16Å; R158-R168 PolarHBondContact O-N 2.94Å; R158-R168 VanDerWaalsContact O-N 3.08Å; R159-R168 HydrophobicContact CG-CB 3.89Å; R159-R168 HydrophobicContact CG-CG 3.93Å; D166-R168 VanDerWaalsContact C-N 3.26Å; D166-R168 PolarHBondContact O-N 2.9Å; R168-C170 VanDerWaalsContact C-N 3.35Å; R168-C170 PolarHBondContact O-N 3Å; R168-F171 WeakPolarHBondContact O-CB 3.26Å; R168-F171 PolarHBondContact O-N 3.09Å; R168-I172 HydrophobicContact CG-CD1 4.02Å; R168-I172 WeakPolarHBondContact O-CG1 3.44Å; R168-I172 PolarHBondContact O-N 2.97Å; R168-L199 PolarHBondContact NH1-O 3.45Å; R168-L200 PolarHBondContact NH2-O 3.47Å; R168-D207 IonicContact CZ-OD2 3.7Å; R168-D207 IonicContact NE-OD1 2.84Å; R168-D207 PolarHBondContact NE-OD1 2.93Å; R168-D207 IonicContact NE-OD2 3.34Å; R168-D207 PolarHBondContact NE-OD2 2.9Å; R168-D207 IonicContact NH2-OD2 3.81Å; R168-D207 PolarHBondContact NH2-OD2 2.72Å |
| 169 | T | 96.5 | Very high | 93.7 | Very high | 10 Ų | 10 | 34.5 Ų | 34.5 | 6% | 0.061 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.5 | -44.4 | 177.8 | -60.9 | 0 | 0 | 0 | 0 | 111.1 | D166 F171 I172 N173 N211 | D166-T169 WeakPolarHBondContact O-CA 3.49Å; D166-T169 WeakPolarHBondContact O-CB 3.3Å; D166-T169 PolarHBondContact O-N 2.85Å; D166-T169 WeakPolarHBondContact OD1-CB 3.46Å; D166-T169 PolarHBondContact OD1-OG1 3.23Å; T169-F171 VanDerWaalsContact C-N 3.32Å; T169-F171 PolarHBondContact O-N 3.2Å; T169-I172 PolarHBondContact O-N 3.32Å; T169-N173 WeakPolarHBondContact O-CB 3.36Å; T169-N173 PolarHBondContact O-N 2.96Å; T169-N173 PolarHBondContact O-ND2 3.36Å; T169-N211 WeakPolarHBondContact CG2-OD1 3.4Å; T169-N211 PolarHBondContact OG1-ND2 3.46Å; T169-N211 PolarHBondContact OG1-OD1 3.44Å |
| 170 | C | 96.8 | Very high | 93.8 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.014 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.7 | -38.8 | 175 | -63.8 | 0 | 0 | 0 | 0 | 112.4 | L124 Q125 C165 D166 V167 R168 N173 F174 | L124-C170 HydrophobicContact CB-CB 3.92Å; L124-C170 HydrophobicContact CD1-CB 4.1Å; Q125-C170 HydrophobicContact CG-CB 4.4Å; C165-C170 VanDerWaalsContact SG-SG 3.63Å; D166-C170 PolarHBondContact O-N 3.39Å; V167-C170 PolarHBondContact O-N 2.98Å; R168-C170 VanDerWaalsContact C-N 3.35Å; R168-C170 PolarHBondContact O-N 3Å; C170-N173 PolarHBondContact O-N 2.84Å; C170-F174 VanDerWaalsContact O-CB 3.3Å; C170-F174 WeakPolarHBondContact O-CB 3.46Å; C170-F174 PolarHBondContact O-N 3.03Å |
| 171 | F | 96.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.5 | -42.7 | 176.8 | 178.5 | -93.9 | 0 | 0 | 0 | 112.2 | L124 M152 C155 S156 V167 R168 T169 F174 L175 L199 | L124-F171 HydrophobicContact CD1-CB 4.04Å; L124-F171 HydrophobicContact CD2-CD2 4.25Å; M152-F171 HydrophobicContact CB-CE2 4.46Å; M152-F171 HydrophobicContact SD-CE2 4.08Å; C155-F171 HydrophobicContact CB-CD2 3.97Å; S156-F171 VanDerWaalsContact CB-CE1 3.42Å; V167-F171 WeakPolarHBondContact O-CB 3.11Å; V167-F171 PolarHBondContact O-N 3.32Å; R168-F171 WeakPolarHBondContact O-CB 3.26Å; R168-F171 PolarHBondContact O-N 3.09Å; T169-F171 VanDerWaalsContact C-N 3.32Å; T169-F171 PolarHBondContact O-N 3.2Å; F171-F174 WeakPolarHBondContact O-CB 3.34Å; F171-F174 PolarHBondContact O-N 3.14Å; F171-L175 HydrophobicContact CD1-CD1 4.23Å; F171-L175 HydrophobicContact CE1-CD1 3.47Å; F171-L175 VanDerWaalsContact CE1-CD1 3.47Å; F171-L175 HydrophobicContact CE1-CG 4.27Å; F171-L175 HydrophobicContact CZ-CD1 3.74Å; F171-L175 HydrophobicContact CZ-CG 4.31Å; F171-L175 PolarHBondContact O-N 3.41Å; F171-L199 HydrophobicContact CE1-CB 4.01Å; F171-L199 HydrophobicContact CZ-CB 3.95Å; F171-L199 HydrophobicContact CZ-CD1 4.01Å |
| 172 | I | 97 | Very high | 93.5 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.8 | -46.9 | 175.8 | -65.3 | 165 | 0 | 0 | 0 | 110 | R168 T169 F174 L175 A176 L200 N211 L214 I215 | R168-I172 HydrophobicContact CG-CD1 4.02Å; R168-I172 WeakPolarHBondContact O-CG1 3.44Å; R168-I172 PolarHBondContact O-N 2.97Å; T169-I172 PolarHBondContact O-N 3.32Å; I172-F174 VanDerWaalsContact C-N 3.29Å; I172-F174 PolarHBondContact O-N 3.13Å; I172-L175 PolarHBondContact O-N 3.36Å; I172-L175 VanDerWaalsContact O-N 3.16Å; I172-A176 WeakPolarHBondContact O-CB 3.33Å; I172-A176 PolarHBondContact O-N 2.81Å; I172-L200 HydrophobicContact CB-CD1 4.32Å; I172-L200 HydrophobicContact CG1-CD1 4.14Å; I172-L200 HydrophobicContact CG2-CD1 3.99Å; I172-N211 HydrophobicContact CD1-CB 3.54Å; I172-N211 VanDerWaalsContact CD1-CG 3.48Å; I172-L214 HydrophobicContact CG2-CB 4.34Å; I172-L214 HydrophobicContact CG2-CD2 3.65Å; I172-L214 HydrophobicContact CG2-CG 3.92Å; I172-I215 HydrophobicContact CD1-CD1 3.86Å; I172-I215 HydrophobicContact CD1-CG1 4.23Å; I172-I215 HydrophobicContact CG1-CD1 4.36Å; I172-I215 HydrophobicContact CG1-CG1 4.37Å; I172-I215 HydrophobicContact CG2-CG1 4Å |
| 173 | N | 96.4 | Very high | 93.7 | Very high | 68 Ų | 68 | 32.1 Ų | 32.1 | 36% | 0.364 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.3 | -37.6 | 177 | -77.2 | -35.4 | 0 | 0 | 0 | 112.5 | T169 C170 A176 S177 L214 | T169-N173 WeakPolarHBondContact O-CB 3.36Å; T169-N173 PolarHBondContact O-N 2.96Å; T169-N173 PolarHBondContact O-ND2 3.36Å; C170-N173 PolarHBondContact O-N 2.84Å; N173-A176 PolarHBondContact O-N 3.05Å; N173-S177 PolarHBondContact O-N 3.42Å; N173-L214 WeakPolarHBondContact OD1-CD2 3.46Å |
| 174 | F | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.6 | -41.5 | 173.9 | 168 | -110.7 | 0 | 0 | 0 | 112.4 | L124 L127 A128 V131 V141 I145 F147 C170 F171 I172 S177 F178 | L124-F174 HydrophobicContact CD2-CB 4.42Å; L124-F174 HydrophobicContact CD2-CD1 4.19Å; L124-F174 HydrophobicContact CD2-CG 4.33Å; L127-F174 HydrophobicContact CB-CD2 3.73Å; L127-F174 HydrophobicContact CB-CE2 3.6Å; L127-F174 HydrophobicContact CB-CZ 4.47Å; A128-F174 HydrophobicContact CB-CB 4.23Å; A128-F174 HydrophobicContact CB-CD2 4.24Å; V131-F174 HydrophobicContact CG2-CE2 4.18Å; V141-F174 HydrophobicContact CG1-CE2 4.11Å; V141-F174 HydrophobicContact CG1-CZ 4.13Å; I145-F174 HydrophobicContact CD1-CE1 4Å; I145-F174 HydrophobicContact CD1-CE2 4.2Å; I145-F174 HydrophobicContact CD1-CZ 3.34Å; F147-F174 HydrophobicContact CE1-CE1 4.09Å; F147-F174 HydrophobicContact CZ-CE1 4.25Å; C170-F174 VanDerWaalsContact O-CB 3.3Å; C170-F174 WeakPolarHBondContact O-CB 3.46Å; C170-F174 PolarHBondContact O-N 3.03Å; F171-F174 WeakPolarHBondContact O-CB 3.34Å; F171-F174 PolarHBondContact O-N 3.14Å; I172-F174 VanDerWaalsContact C-N 3.29Å; I172-F174 PolarHBondContact O-N 3.13Å; F174-S177 PolarHBondContact O-OG 3.39Å; F174-F178 HydrophobicContact CD2-CE2 4.12Å; F174-F178 AromaticContact CE1-CE2 3.93Å; F174-F178 HydrophobicContact CE1-CE2 3.93Å; F174-F178 AromaticContact CE2-CE2 3.46Å; F174-F178 HydrophobicContact CE2-CE2 3.46Å; F174-F178 VanDerWaalsContact CE2-CE2 3.46Å; F174-F178 AromaticContact CE2-CZ 3.62Å; F174-F178 HydrophobicContact CE2-CZ 3.62Å; F174-F178 AromaticContact CZ-CE2 3.34Å; F174-F178 HydrophobicContact CZ-CE2 3.34Å; F174-F178 AromaticContact CZ-CZ 3.58Å; F174-F178 HydrophobicContact CZ-CZ 3.58Å; F174-F178 VanDerWaalsContact O-CD2 3.23Å; F174-F178 WeakPolarHBondContact O-CD2 3.37Å; F174-F178 WeakPolarHBondContact O-CE2 3.49Å |
| 175 | L | 96.2 | Very high | 94.1 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70.1 | -38.1 | 173.5 | -75.2 | 178.8 | 0 | 0 | 0 | 112.2 | F147 F171 I172 S177 F178 L190 A196 L200 | F147-L175 HydrophobicContact CD1-CD2 4.42Å; F147-L175 HydrophobicContact CE1-CD2 3.47Å; F147-L175 VanDerWaalsContact CE1-CD2 3.47Å; F147-L175 HydrophobicContact CE1-CG 4.47Å; F147-L175 HydrophobicContact CZ-CD2 3.67Å; F171-L175 HydrophobicContact CD1-CD1 4.23Å; F171-L175 HydrophobicContact CE1-CD1 3.47Å; F171-L175 VanDerWaalsContact CE1-CD1 3.47Å; F171-L175 HydrophobicContact CE1-CG 4.27Å; F171-L175 HydrophobicContact CZ-CD1 3.74Å; F171-L175 HydrophobicContact CZ-CG 4.31Å; F171-L175 PolarHBondContact O-N 3.41Å; I172-L175 PolarHBondContact O-N 3.36Å; I172-L175 VanDerWaalsContact O-N 3.16Å; L175-S177 VanDerWaalsContact C-N 3.3Å; L175-S177 PolarHBondContact O-N 3.49Å; L175-F178 PolarHBondContact O-N 3.03Å; L175-L190 HydrophobicContact CD2-CD1 3.98Å; L175-A196 WeakPolarHBondContact CD1-O 3.34Å; L175-A196 HydrophobicContact CD2-CB 4.32Å; L175-L200 HydrophobicContact CB-CD1 4.24Å; L175-L200 HydrophobicContact CD1-CB 3.95Å; L175-L200 HydrophobicContact CD1-CD1 3.87Å; L175-L200 HydrophobicContact CD1-CG 4.44Å |
| 176 | A | 96.4 | Very high | 94.3 | Very high | 6 Ų | 6 | 28.2 Ų | 28.2 | 5% | 0.05 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.5 | -35.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | I172 N173 F178 V179 Y180 L214 V218 | I172-A176 WeakPolarHBondContact O-CB 3.33Å; I172-A176 PolarHBondContact O-N 2.81Å; N173-A176 PolarHBondContact O-N 3.05Å; A176-F178 VanDerWaalsContact C-N 3.26Å; A176-F178 PolarHBondContact O-N 3.48Å; A176-V179 PolarHBondContact O-N 2.76Å; A176-Y180 HydrophobicContact CB-CD2 4.23Å; A176-Y180 HydrophobicContact CB-CE2 4.46Å; A176-Y180 WeakPolarHBondContact O-CD2 3.21Å; A176-Y180 PolarHBondContact O-N 3.41Å; A176-L214 HydrophobicContact CB-CD1 4.06Å; A176-L214 HydrophobicContact CB-CD2 4.21Å; A176-L214 HydrophobicContact CB-CG 4.29Å; A176-V218 HydrophobicContact CB-CG2 3.81Å |
| 177 | S | 95.4 | Very high | 94.3 | Very high | 13 Ų | 13 | 28.4 Ų | 28.4 | 9% | 0.091 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.5 | -36.4 | -178.6 | 68.1 | 0 | 0 | 0 | 0 | 112.7 | V131 N173 F174 L175 V179 L181 | V131-S177 VanDerWaalsContact CG1-OG 3.32Å; V131-S177 WeakPolarHBondContact CG1-OG 3.39Å; N173-S177 PolarHBondContact O-N 3.42Å; F174-S177 PolarHBondContact O-OG 3.39Å; L175-S177 VanDerWaalsContact C-N 3.3Å; L175-S177 PolarHBondContact O-N 3.49Å; S177-V179 PolarHBondContact O-N 3.5Å; S177-L181 WeakPolarHBondContact O-CG 3.45Å; S177-L181 PolarHBondContact O-N 3.34Å |
| 178 | F | 96.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 0% | 0.004 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.9 | -38.3 | 174 | -65 | -75.2 | 0 | 0 | 0 | 113.4 | V131 A138 V141 L142 F174 L175 A176 V186 L190 | V131-F178 HydrophobicContact CB-CE1 4.19Å; V131-F178 HydrophobicContact CB-CZ 4.46Å; V131-F178 HydrophobicContact CG1-CD1 3.53Å; V131-F178 HydrophobicContact CG1-CD2 4.47Å; V131-F178 HydrophobicContact CG1-CE1 3.67Å; V131-F178 HydrophobicContact CG1-CG 3.96Å; V131-F178 HydrophobicContact CG1-CZ 4.23Å; V131-F178 HydrophobicContact CG2-CD1 4.12Å; V131-F178 HydrophobicContact CG2-CE1 3.35Å; V131-F178 HydrophobicContact CG2-CE2 4.17Å; V131-F178 HydrophobicContact CG2-CZ 3.39Å; A138-F178 HydrophobicContact CB-CD1 4.13Å; A138-F178 HydrophobicContact CB-CE1 4.25Å; A138-F178 WeakPolarHBondContact O-CE1 3.47Å; V141-F178 HydrophobicContact CB-CE1 4.45Å; V141-F178 HydrophobicContact CB-CZ 4.4Å; V141-F178 HydrophobicContact CG1-CE1 4.36Å; V141-F178 HydrophobicContact CG1-CZ 3.83Å; L142-F178 HydrophobicContact CD1-CD1 3.94Å; L142-F178 HydrophobicContact CD1-CE1 4.12Å; L142-F178 HydrophobicContact CD2-CD1 3.99Å; L142-F178 HydrophobicContact CD2-CD2 4.43Å; L142-F178 HydrophobicContact CD2-CE1 3.71Å; L142-F178 HydrophobicContact CD2-CE2 4.17Å; L142-F178 HydrophobicContact CD2-CG 4.34Å; L142-F178 HydrophobicContact CD2-CZ 3.79Å; L142-F178 HydrophobicContact CG-CD1 3.81Å; L142-F178 HydrophobicContact CG-CE1 3.48Å; L142-F178 VanDerWaalsContact CG-CE1 3.48Å; L142-F178 HydrophobicContact CG-CZ 4.03Å; F174-F178 HydrophobicContact CD2-CE2 4.12Å; F174-F178 AromaticContact CE1-CE2 3.93Å; F174-F178 HydrophobicContact CE1-CE2 3.93Å; F174-F178 AromaticContact CE2-CE2 3.46Å; F174-F178 HydrophobicContact CE2-CE2 3.46Å; F174-F178 VanDerWaalsContact CE2-CE2 3.46Å; F174-F178 AromaticContact CE2-CZ 3.62Å; F174-F178 HydrophobicContact CE2-CZ 3.62Å; F174-F178 AromaticContact CZ-CE2 3.34Å; F174-F178 HydrophobicContact CZ-CE2 3.34Å; F174-F178 AromaticContact CZ-CZ 3.58Å; F174-F178 HydrophobicContact CZ-CZ 3.58Å; F174-F178 VanDerWaalsContact O-CD2 3.23Å; F174-F178 WeakPolarHBondContact O-CD2 3.37Å; F174-F178 WeakPolarHBondContact O-CE2 3.49Å; L175-F178 PolarHBondContact O-N 3.03Å; A176-F178 VanDerWaalsContact C-N 3.26Å; A176-F178 PolarHBondContact O-N 3.48Å; F178-V186 HydrophobicContact CB-CG1 4.26Å; F178-V186 HydrophobicContact CD1-CG1 3.98Å; F178-L190 HydrophobicContact CB-CD2 3.87Å; F178-L190 HydrophobicContact CD2-CD1 4.2Å; F178-L190 HydrophobicContact CG-CD1 4.45Å |
| 179 | V | 94.3 | Very high | 94.1 | Very high | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.024 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -76.1 | -32.9 | -175.5 | 178.1 | 0 | 0 | 0 | 0 | 111.3 | A176 S177 L181 L187 L190 V218 K221 | A176-V179 PolarHBondContact O-N 2.76Å; S177-V179 PolarHBondContact O-N 3.5Å; V179-L181 VanDerWaalsContact C-N 3.35Å; V179-L187 HydrophobicContact CB-CD1 4.3Å; V179-L187 HydrophobicContact CG1-CD1 4.08Å; V179-L187 HydrophobicContact CG2-CD1 3.81Å; V179-L190 HydrophobicContact CG2-CD2 3.63Å; V179-V218 HydrophobicContact CB-CG1 4.48Å; V179-V218 HydrophobicContact CG1-CG1 4.48Å; V179-V218 HydrophobicContact CG2-CG1 3.97Å; V179-K221 HydrophobicContact CG1-CB 3.97Å; V179-K221 HydrophobicContact CG1-CG 3.89Å |
| 180 | Y | 92.7 | Very high | 94 | Very high | 116 Ų | 116 | 34.2 Ų | 34.2 | 46% | 0.455 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 11 | 179.7 | -75.4 | -81.6 | 0 | 0 | 0 | 114.4 | A176 D182 L214 C217 V218 | A176-Y180 HydrophobicContact CB-CD2 4.23Å; A176-Y180 HydrophobicContact CB-CE2 4.46Å; A176-Y180 WeakPolarHBondContact O-CD2 3.21Å; A176-Y180 PolarHBondContact O-N 3.41Å; Y180-D182 PolarHBondContact O-N 3.02Å; Y180-L214 HydrophobicContact CE2-CD1 4.21Å; Y180-C217 WeakPolarHBondContact OH-CB 3.48Å; Y180-V218 HydrophobicContact CE2-CG2 4.08Å |
| 181 | L | 89.4 | Confident | 93.8 | Very high | 36 Ų | 36 | 35 Ų | 35 | 19% | 0.188 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -8.4 | 163.9 | -79.5 | 170.4 | 0 | 0 | 0 | 113.2 | V131 A138 S177 V179 N183 V186 | V131-L181 HydrophobicContact CG1-CD1 3.78Å; V131-L181 WeakPolarHBondContact O-CD1 3.47Å; A138-L181 HydrophobicContact CB-CD1 3.37Å; S177-L181 WeakPolarHBondContact O-CG 3.45Å; S177-L181 PolarHBondContact O-N 3.34Å; V179-L181 VanDerWaalsContact C-N 3.35Å; L181-N183 PolarHBondContact O-N 3.41Å; L181-V186 HydrophobicContact CD1-CG1 4.19Å |
| 182 | D | 83.1 | Confident | 93.5 | Very high | 108 Ų | 108 | 39.4 Ų | 39.4 | 58% | 0.578 | 19% | 0.19 | S | C | * | . | trans | 53.7 | 21.7 | -176.2 | -73.7 | -42.9 | 0 | 0 | 0 | 114.7 | Y180 K221 | Y180-D182 PolarHBondContact O-N 3.02Å; D182-K221 VanDerWaalsContact OD1-CE 3.25Å; D182-K221 WeakPolarHBondContact OD1-CE 2.99Å; D182-K221 IonicContact OD1-NZ 3.05Å; D182-K221 PolarHBondContact OD1-NZ 2.92Å | ||
| 183 | N | 92 | Very high | 93.2 | Very high | 23 Ų | 23 | 42.1 Ų | 42.1 | 12% | 0.123 | 20% | 0.202 | C | C | . | . | trans | -101 | 122.6 | 175.1 | -173.1 | -78.2 | 0 | 0 | 0 | 112.9 | E135 L181 F185 V186 L187 | E135-N183 HydrophobicContact CG-CB 4.04Å; E135-N183 WeakPolarHBondContact OE1-CB 3.43Å; E135-N183 PolarHBondContact OE1-ND2 3.31Å; E135-N183 PolarHBondContact OE2-ND2 2.76Å; L181-N183 PolarHBondContact O-N 3.41Å; N183-F185 VanDerWaalsContact C-N 3.35Å; N183-F185 PolarHBondContact O-N 3.43Å; N183-F185 WeakPolarHBondContact OD1-CA 3.5Å; N183-F185 VanDerWaalsContact OD1-CB 3.3Å; N183-F185 WeakPolarHBondContact OD1-CB 3.26Å; N183-F185 PolarHBondContact OD1-N 2.76Å; N183-V186 HydrophobicContact CB-CB 4.25Å; N183-V186 HydrophobicContact CB-CG2 3.97Å; N183-V186 PolarHBondContact O-N 3.46Å; N183-V186 PolarHBondContact OD1-N 3.26Å; N183-L187 WeakPolarHBondContact O-CB 2.86Å; N183-L187 PolarHBondContact O-N 3.3Å | ||
| 184 | N | 93.5 | Very high | 92.5 | Very high | 67 Ų | 67 | 46.7 Ų | 46.7 | 36% | 0.358 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -70.7 | -23.2 | -177.2 | -70.1 | -37.8 | 0 | 0 | 0 | 114.7 | R188 N225 S227 | N184-R188 WeakPolarHBondContact O-CB 3.33Å; N184-R188 VanDerWaalsContact O-CG 3.28Å; N184-R188 WeakPolarHBondContact O-CG 3.32Å; N184-R188 PolarHBondContact O-N 3.19Å; N184-R188 PolarHBondContact O-NE 2.7Å; N184-R188 VanDerWaalsContact O-NE 3.16Å; N184-N225 PolarHBondContact OD1-ND2 3.5Å; N184-N225 PolarHBondContact OD1-OD1 3.21Å; N184-S227 WeakPolarHBondContact CB-OG 3.4Å; N184-S227 PolarHBondContact OD1-OG 3.03Å |
| 185 | F | 91.7 | Very high | 91.9 | Very high | 132 Ų | 132 | 47.3 Ų | 47.3 | 58% | 0.579 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -76 | -47.3 | 175.3 | -65.3 | -86.9 | 0 | 0 | 0 | 110.7 | N183 L187 R188 E189 | N183-F185 VanDerWaalsContact C-N 3.35Å; N183-F185 PolarHBondContact O-N 3.43Å; N183-F185 WeakPolarHBondContact OD1-CA 3.5Å; N183-F185 VanDerWaalsContact OD1-CB 3.3Å; N183-F185 WeakPolarHBondContact OD1-CB 3.26Å; N183-F185 PolarHBondContact OD1-N 2.76Å; F185-L187 VanDerWaalsContact C-N 3.33Å; F185-L187 PolarHBondContact O-N 3.39Å; F185-R188 PolarHBondContact O-N 3.37Å; F185-E189 WeakPolarHBondContact O-CB 3.36Å; F185-E189 PolarHBondContact O-N 2.63Å |
| 186 | V | 94.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59 | -46.2 | 176.3 | -179.7 | 0 | 0 | 0 | 0 | 110.6 | E135 A138 R139 L142 F178 L181 N183 R188 E189 L190 | E135-V186 HydrophobicContact CB-CG2 4.18Å; A138-V186 HydrophobicContact CB-CG1 3.98Å; A138-V186 HydrophobicContact CB-CG2 4.31Å; R139-V186 HydrophobicContact CG-CG2 3.9Å; L142-V186 HydrophobicContact CD1-CG1 4.07Å; F178-V186 HydrophobicContact CB-CG1 4.26Å; F178-V186 HydrophobicContact CD1-CG1 3.98Å; L181-V186 HydrophobicContact CD1-CG1 4.19Å; N183-V186 HydrophobicContact CB-CB 4.25Å; N183-V186 HydrophobicContact CB-CG2 3.97Å; N183-V186 PolarHBondContact O-N 3.46Å; N183-V186 PolarHBondContact OD1-N 3.26Å; V186-R188 PolarHBondContact O-N 3.42Å; V186-E189 PolarHBondContact O-N 2.92Å; V186-L190 PolarHBondContact O-N 2.97Å |
| 187 | L | 94.3 | Very high | 91.5 | Very high | 6 Ų | 6 | 47.5 Ų | 47.5 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.6 | -45.3 | 178.2 | -177.7 | 64.2 | 0 | 0 | 0 | 112.3 | V179 N183 F185 L190 I191 V222 N225 V228 | V179-L187 HydrophobicContact CB-CD1 4.3Å; V179-L187 HydrophobicContact CG1-CD1 4.08Å; V179-L187 HydrophobicContact CG2-CD1 3.81Å; N183-L187 WeakPolarHBondContact O-CB 2.86Å; N183-L187 PolarHBondContact O-N 3.3Å; F185-L187 VanDerWaalsContact C-N 3.33Å; F185-L187 PolarHBondContact O-N 3.39Å; L187-L190 PolarHBondContact O-N 3.14Å; L187-I191 HydrophobicContact CD1-CD1 4.22Å; L187-I191 HydrophobicContact CG-CD1 3.93Å; L187-I191 WeakPolarHBondContact O-CD1 3.5Å; L187-I191 VanDerWaalsContact O-CG1 3.26Å; L187-I191 WeakPolarHBondContact O-CG1 3.24Å; L187-I191 PolarHBondContact O-N 3.28Å; L187-V222 HydrophobicContact CD1-CG2 4Å; L187-N225 HydrophobicContact CD2-CB 3.93Å; L187-N225 VanDerWaalsContact CD2-ND2 3.26Å; L187-N225 WeakPolarHBondContact CD2-ND2 3.45Å; L187-V228 HydrophobicContact CD2-CG2 4.08Å |
| 188 | R | 92.9 | Very high | 91.3 | Very high | 82 Ų | 82 | 49.7 Ų | 49.7 | 31% | 0.309 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.2 | -41.1 | 177.9 | -75.3 | -175.5 | -63.8 | 157.4 | -1.8 | 111.9 | N184 F185 V186 L190 I191 D192 | N184-R188 WeakPolarHBondContact O-CB 3.33Å; N184-R188 VanDerWaalsContact O-CG 3.28Å; N184-R188 WeakPolarHBondContact O-CG 3.32Å; N184-R188 PolarHBondContact O-N 3.19Å; N184-R188 PolarHBondContact O-NE 2.7Å; N184-R188 VanDerWaalsContact O-NE 3.16Å; F185-R188 PolarHBondContact O-N 3.37Å; V186-R188 PolarHBondContact O-N 3.42Å; R188-L190 VanDerWaalsContact C-N 3.32Å; R188-L190 PolarHBondContact O-N 2.74Å; R188-I191 PolarHBondContact O-N 2.91Å; R188-D192 WeakPolarHBondContact O-CB 3.25Å; R188-D192 VanDerWaalsContact O-CG 3.25Å; R188-D192 PolarHBondContact O-N 3.13Å |
| 189 | E | 93.3 | Very high | 91.2 | Very high | 52 Ų | 52 | 51 Ų | 51 | 24% | 0.243 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.1 | -38.5 | 176.9 | -166.6 | 166.4 | 177 | 0 | 0 | 111.3 | R139 L142 R143 F185 V186 D192 K193 | R139-E189 WeakPolarHBondContact CG-OE2 3.23Å; L142-E189 HydrophobicContact CD1-CB 4.07Å; L142-E189 HydrophobicContact CD1-CG 4.16Å; R143-E189 IonicContact NE-OE1 3.42Å; F185-E189 WeakPolarHBondContact O-CB 3.36Å; F185-E189 PolarHBondContact O-N 2.63Å; V186-E189 PolarHBondContact O-N 2.92Å; E189-D192 PolarHBondContact O-N 3.18Å; E189-K193 WeakPolarHBondContact O-CG 3.45Å; E189-K193 PolarHBondContact O-N 3.39Å |
| 190 | L | 94.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.9 | -45.4 | 171.6 | 177 | 71.7 | 0 | 0 | 0 | 112.2 | L142 F147 L175 F178 V179 V186 L187 R188 D192 K193 A196 | L142-L190 HydrophobicContact CD1-CB 4.2Å; L142-L190 HydrophobicContact CD2-CB 4.29Å; L142-L190 HydrophobicContact CD2-CD1 3.72Å; F147-L190 HydrophobicContact CE2-CD1 4.38Å; F147-L190 HydrophobicContact CZ-CD1 4.26Å; L175-L190 HydrophobicContact CD2-CD1 3.98Å; F178-L190 HydrophobicContact CB-CD2 3.87Å; F178-L190 HydrophobicContact CD2-CD1 4.2Å; F178-L190 HydrophobicContact CG-CD1 4.45Å; V179-L190 HydrophobicContact CG2-CD2 3.63Å; V186-L190 PolarHBondContact O-N 2.97Å; L187-L190 PolarHBondContact O-N 3.14Å; R188-L190 VanDerWaalsContact C-N 3.32Å; R188-L190 PolarHBondContact O-N 2.74Å; L190-D192 VanDerWaalsContact C-N 3.28Å; L190-D192 PolarHBondContact O-N 3.06Å; L190-K193 WeakPolarHBondContact O-CB 3.21Å; L190-K193 PolarHBondContact O-N 2.73Å; L190-K193 VanDerWaalsContact O-N 3.13Å; L190-A196 HydrophobicContact CD1-CB 4.1Å |
| 191 | I | 92.8 | Very high | 91.2 | Very high | 20 Ų | 20 | 45.2 Ų | 45.2 | 10% | 0.103 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64 | -36.3 | 179.8 | -71.3 | 163.6 | 0 | 0 | 0 | 111.4 | L187 R188 K193 L197 V222 V228 Q232 V236 | L187-I191 HydrophobicContact CD1-CD1 4.22Å; L187-I191 HydrophobicContact CG-CD1 3.93Å; L187-I191 WeakPolarHBondContact O-CD1 3.5Å; L187-I191 VanDerWaalsContact O-CG1 3.26Å; L187-I191 WeakPolarHBondContact O-CG1 3.24Å; L187-I191 PolarHBondContact O-N 3.28Å; R188-I191 PolarHBondContact O-N 2.91Å; I191-K193 PolarHBondContact O-N 3.08Å; I191-L197 HydrophobicContact CG1-CD1 4.13Å; I191-V222 HydrophobicContact CD1-CG1 3.75Å; I191-V222 HydrophobicContact CD1-CG2 4.4Å; I191-V222 HydrophobicContact CG1-CG1 4.27Å; I191-V228 HydrophobicContact CD1-CB 4.43Å; I191-V228 HydrophobicContact CD1-CG1 3.92Å; I191-V228 HydrophobicContact CD1-CG2 3.56Å; I191-Q232 HydrophobicContact CG2-CB 4.04Å; I191-Q232 HydrophobicContact CG2-CG 4.34Å; I191-V236 HydrophobicContact CG1-CG2 4.42Å; I191-V236 HydrophobicContact CG2-CG2 3.59Å |
| 192 | D | 90.8 | Very high | 91.1 | Very high | 91 Ų | 91 | 44.3 Ų | 44.3 | 49% | 0.487 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -74.5 | -14.4 | 178.3 | -67.9 | -27.1 | 0 | 0 | 0 | 112.2 | R188 E189 L190 K194 Q232 | R188-D192 WeakPolarHBondContact O-CB 3.25Å; R188-D192 VanDerWaalsContact O-CG 3.25Å; R188-D192 PolarHBondContact O-N 3.13Å; E189-D192 PolarHBondContact O-N 3.18Å; L190-D192 VanDerWaalsContact C-N 3.28Å; L190-D192 PolarHBondContact O-N 3.06Å; D192-K194 PolarHBondContact O-N 3.13Å; D192-Q232 PolarHBondContact OD1-NE2 3.38Å; D192-Q232 PolarHBondContact OD2-NE2 2.69Å |
| 193 | K | 90.2 | Very high | 91.3 | Very high | 58 Ų | 58 | 41.8 Ų | 41.8 | 25% | 0.252 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -73.7 | 105.3 | 169.1 | -71 | -75.8 | -179.8 | 159.8 | 0 | 110.5 | L142 R143 I145 F147 E189 L190 I191 G195 A196 | L142-K193 WeakPolarHBondContact O-CE 3.49Å; L142-K193 PolarHBondContact O-NZ 3.37Å; R143-K193 PolarHBondContact O-NZ 2.89Å; I145-K193 PolarHBondContact O-NZ 3.03Å; F147-K193 HydrophobicContact CD2-CB 3.91Å; F147-K193 HydrophobicContact CD2-CG 4.44Å; F147-K193 HydrophobicContact CE2-CB 4.08Å; F147-K193 HydrophobicContact CE2-CG 4.33Å; E189-K193 WeakPolarHBondContact O-CG 3.45Å; E189-K193 PolarHBondContact O-N 3.39Å; L190-K193 WeakPolarHBondContact O-CB 3.21Å; L190-K193 PolarHBondContact O-N 2.73Å; L190-K193 VanDerWaalsContact O-N 3.13Å; I191-K193 PolarHBondContact O-N 3.08Å; K193-G195 PolarHBondContact O-N 3.15Å; K193-A196 HydrophobicContact CB-CB 4.36Å; K193-A196 PolarHBondContact O-N 3.32Å |
| 194 | K | 81.7 | Confident | 91.3 | Very high | 164 Ų | 164 | 40.7 Ų | 40.7 | 71% | 0.713 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 134.4 | 176.2 | -168.2 | -177.4 | 176.9 | -169 | 0 | 111.2 | D192 A196 | D192-K194 PolarHBondContact O-N 3.13Å; K194-A196 VanDerWaalsContact C-N 3.3Å; K194-A196 PolarHBondContact O-N 3.12Å |
| 195 | G | 83.6 | Confident | 91.4 | Very high | 12 Ų | 12 | 38.1 Ų | 38.1 | 12% | 0.124 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | -20.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | K193 L197 D198 L199 | K193-G195 PolarHBondContact O-N 3.15Å; G195-L197 PolarHBondContact O-N 3.19Å; G195-D198 PolarHBondContact O-N 3.14Å; G195-L199 VanDerWaalsContact O-CG 3.3Å; G195-L199 WeakPolarHBondContact O-CG 3.43Å; G195-L199 PolarHBondContact O-N 3.23Å |
| 196 | A | 91.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.4 | -55.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F147 L175 L190 K193 K194 L200 | F147-A196 HydrophobicContact CB-CB 4.41Å; F147-A196 HydrophobicContact CD1-CB 4.03Å; F147-A196 HydrophobicContact CD2-CB 3.66Å; F147-A196 HydrophobicContact CE1-CB 4.19Å; F147-A196 HydrophobicContact CE2-CB 3.8Å; F147-A196 HydrophobicContact CG-CB 3.76Å; F147-A196 HydrophobicContact CZ-CB 4.07Å; L175-A196 WeakPolarHBondContact CD1-O 3.34Å; L175-A196 HydrophobicContact CD2-CB 4.32Å; L190-A196 HydrophobicContact CD1-CB 4.1Å; K193-A196 HydrophobicContact CB-CB 4.36Å; K193-A196 PolarHBondContact O-N 3.32Å; K194-A196 VanDerWaalsContact C-N 3.3Å; K194-A196 PolarHBondContact O-N 3.12Å; A196-L200 PolarHBondContact O-N 2.67Å |
| 197 | L | 92.9 | Very high | 91.4 | Very high | 12 Ų | 12 | 32.3 Ų | 32.3 | 6% | 0.063 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -76.9 | -22.6 | 178.7 | -61.9 | -179.8 | 0 | 0 | 0 | 113 | I191 G195 L200 I201 V218 V222 V236 | I191-L197 HydrophobicContact CG1-CD1 4.13Å; G195-L197 PolarHBondContact O-N 3.19Å; L197-L200 HydrophobicContact CD2-CD2 3.93Å; L197-L200 WeakPolarHBondContact O-CB 3.25Å; L197-L200 PolarHBondContact O-N 3.01Å; L197-I201 PolarHBondContact O-N 3.15Å; L197-I201 VanDerWaalsContact O-N 3.15Å; L197-V218 HydrophobicContact CD2-CG1 4.45Å; L197-V222 HydrophobicContact CD1-CG2 4.38Å; L197-V236 HydrophobicContact CB-CG1 4.33Å; L197-V236 HydrophobicContact CD1-CB 4.29Å; L197-V236 HydrophobicContact CD1-CG1 3.53Å; L197-V236 HydrophobicContact CD1-CG2 3.73Å |
| 198 | D | 92 | Very high | 91.4 | Very high | 58 Ų | 58 | 32.8 Ų | 32.8 | 31% | 0.31 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -68.5 | -39.8 | 172.9 | -71.8 | -40.5 | 0 | 0 | 0 | 111.2 | G195 L200 I201 G202 N238 | G195-D198 PolarHBondContact O-N 3.14Å; D198-L200 VanDerWaalsContact C-N 3.27Å; D198-L200 PolarHBondContact O-N 3.24Å; D198-I201 PolarHBondContact O-N 2.88Å; D198-G202 WeakPolarHBondContact O-CA 3.4Å; D198-G202 PolarHBondContact O-N 3.4Å; D198-N238 PolarHBondContact OD1-ND2 3.3Å |
| 199 | L | 93.7 | Very high | 91.4 | Very high | 28 Ų | 28 | 31.7 Ų | 31.7 | 15% | 0.147 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.7 | -28.4 | 172.3 | -67.2 | -177.3 | 0 | 0 | 0 | 112.5 | F147 M152 K153 R168 F171 G195 | F147-L199 HydrophobicContact CB-CD1 4.4Å; F147-L199 VanDerWaalsContact O-CD1 3.31Å; F147-L199 WeakPolarHBondContact O-CD1 3.42Å; M152-L199 HydrophobicContact CB-CD1 4.29Å; K153-L199 HydrophobicContact CG-CD1 4.37Å; K153-L199 HydrophobicContact CG-CD2 3.82Å; R168-L199 PolarHBondContact NH1-O 3.45Å; F171-L199 HydrophobicContact CE1-CB 4.01Å; F171-L199 HydrophobicContact CZ-CB 3.95Å; F171-L199 HydrophobicContact CZ-CD1 4.01Å; G195-L199 VanDerWaalsContact O-CG 3.3Å; G195-L199 WeakPolarHBondContact O-CG 3.43Å; G195-L199 PolarHBondContact O-N 3.23Å |
| 200 | L | 93.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.3 | -47.7 | 174.3 | -171.1 | 71.2 | 0 | 0 | 0 | 110.8 | R168 I172 L175 A196 L197 D198 I215 V218 | R168-L200 PolarHBondContact NH2-O 3.47Å; I172-L200 HydrophobicContact CB-CD1 4.32Å; I172-L200 HydrophobicContact CG1-CD1 4.14Å; I172-L200 HydrophobicContact CG2-CD1 3.99Å; L175-L200 HydrophobicContact CB-CD1 4.24Å; L175-L200 HydrophobicContact CD1-CB 3.95Å; L175-L200 HydrophobicContact CD1-CD1 3.87Å; L175-L200 HydrophobicContact CD1-CG 4.44Å; A196-L200 PolarHBondContact O-N 2.67Å; L197-L200 HydrophobicContact CD2-CD2 3.93Å; L197-L200 WeakPolarHBondContact O-CB 3.25Å; L197-L200 PolarHBondContact O-N 3.01Å; D198-L200 VanDerWaalsContact C-N 3.27Å; D198-L200 PolarHBondContact O-N 3.24Å; L200-I215 HydrophobicContact CD1-CG1 3.87Å; L200-I215 HydrophobicContact CD2-CG2 4.24Å; L200-I215 HydrophobicContact CG-CB 4.41Å; L200-I215 HydrophobicContact CG-CG1 3.94Å; L200-I215 HydrophobicContact CG-CG2 4.02Å; L200-I215 WeakPolarHBondContact O-CD1 3.24Å; L200-V218 HydrophobicContact CD2-CB 4.17Å; L200-V218 HydrophobicContact CD2-CG1 3.62Å |
| 201 | I | 93.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -88.9 | -22.5 | -174.3 | -164.2 | 64.1 | 0 | 0 | 0 | 114.3 | L197 D198 E203 S204 I215 L219 C241 K244 L245 | L197-I201 PolarHBondContact O-N 3.15Å; L197-I201 VanDerWaalsContact O-N 3.15Å; D198-I201 PolarHBondContact O-N 2.88Å; I201-E203 VanDerWaalsContact C-N 3.35Å; I201-E203 PolarHBondContact O-N 3.27Å; I201-E203 VanDerWaalsContact O-N 3.14Å; I201-S204 WeakPolarHBondContact CD1-OG 3.15Å; I201-S204 WeakPolarHBondContact O-CB 3.4Å; I201-S204 PolarHBondContact O-N 3.15Å; I201-S204 VanDerWaalsContact O-N 3.14Å; I201-S204 PolarHBondContact O-OG 3.35Å; I201-I215 HydrophobicContact CD1-CG2 3.85Å; I201-L219 HydrophobicContact CD1-CD1 3.89Å; I201-L219 HydrophobicContact CG1-CD1 4.46Å; I201-C241 HydrophobicContact CG2-CB 4.38Å; I201-K244 HydrophobicContact CD1-CB 4.39Å; I201-K244 HydrophobicContact CG1-CB 3.64Å; I201-K244 HydrophobicContact CG1-CG 4.43Å; I201-L245 HydrophobicContact CD1-CD2 3.9Å; I201-L245 HydrophobicContact CD1-CG 4.32Å |
| 202 | G | 88 | Confident | 91.7 | Very high | 16 Ų | 16 | 31.3 Ų | 31.3 | 17% | 0.165 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -41.4 | -164.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | D198 K244 | D198-G202 WeakPolarHBondContact O-CA 3.4Å; D198-G202 PolarHBondContact O-N 3.4Å; G202-K244 WeakPolarHBondContact O-CE 3.37Å; G202-K244 PolarHBondContact O-NZ 3.19Å |
| 203 | E | 86.6 | Confident | 92 | Very high | 56 Ų | 56 | 28.5 Ų | 28.5 | 26% | 0.262 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | 20.8 | -178.9 | -59.7 | -170 | -178.6 | 0 | 0 | 113.2 | Q157 R159 I201 F205 V206 | Q157-E203 WeakPolarHBondContact CG-OE1 3.25Å; Q157-E203 PolarHBondContact NE2-OE1 2.89Å; R159-E203 IonicContact CZ-OE2 3.32Å; R159-E203 IonicContact NH1-OE2 4Å; R159-E203 PolarHBondContact NH1-OE2 2.88Å; R159-E203 IonicContact NH2-OE2 3.38Å; R159-E203 PolarHBondContact NH2-OE2 3.43Å; I201-E203 VanDerWaalsContact C-N 3.35Å; I201-E203 PolarHBondContact O-N 3.27Å; I201-E203 VanDerWaalsContact O-N 3.14Å; E203-F205 PolarHBondContact O-N 3.01Å; E203-V206 WeakPolarHBondContact O-CG2 3.45Å; E203-V206 PolarHBondContact O-N 3.3Å |
| 204 | S | 92.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -59 | -27.8 | -178.8 | 54.3 | 0 | 0 | 0 | 0 | 114.7 | I201 V206 D207 V212 | I201-S204 WeakPolarHBondContact CD1-OG 3.15Å; I201-S204 WeakPolarHBondContact O-CB 3.4Å; I201-S204 PolarHBondContact O-N 3.15Å; I201-S204 VanDerWaalsContact O-N 3.14Å; I201-S204 PolarHBondContact O-OG 3.35Å; S204-V206 PolarHBondContact O-N 3.24Å; S204-D207 PolarHBondContact O-N 3.48Å; S204-V212 VanDerWaalsContact O-CG2 3.3Å; S204-V212 WeakPolarHBondContact O-CG2 3.31Å |
| 205 | F | 93.8 | Very high | 93.1 | Very high | 13 Ų | 13 | 19.6 Ų | 19.6 | 6% | 0.057 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -64.9 | -22 | -176.9 | -172.7 | -96.5 | 0 | 0 | 0 | 114.2 | E203 S247 L248 Q250 W251 V258 V261 L262 | E203-F205 PolarHBondContact O-N 3.01Å; F205-S247 WeakPolarHBondContact CE2-O 3.36Å; F205-L248 HydrophobicContact CD2-CD2 4.31Å; F205-Q250 HydrophobicContact CE2-CB 4.31Å; F205-W251 HydrophobicContact CE2-CB 4.21Å; F205-W251 PolarHBondContact O-NE1 2.98Å; F205-V258 HydrophobicContact CD1-CB 4.29Å; F205-V258 HydrophobicContact CD1-CG1 3.86Å; F205-V258 HydrophobicContact CD1-CG2 4.11Å; F205-V258 HydrophobicContact CE1-CB 4.46Å; F205-V258 HydrophobicContact CE1-CG1 3.74Å; F205-V261 HydrophobicContact CE1-CB 3.95Å; F205-V261 HydrophobicContact CE1-CG1 3.77Å; F205-V261 HydrophobicContact CZ-CG1 4.04Å; F205-L262 HydrophobicContact CE1-CD2 4.3Å; F205-L262 HydrophobicContact CE1-CG 4.17Å; F205-L262 HydrophobicContact CZ-CD2 3.77Å; F205-L262 HydrophobicContact CZ-CG 4.15Å |
| 206 | V | 93.1 | Very high | 93.8 | Very high | 8 Ų | 8 | 19.1 Ų | 19.1 | 5% | 0.048 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -109.7 | 2.2 | 179.9 | -63.6 | 0 | 0 | 0 | 0 | 112.6 | E203 S204 G255 V258 V261 | E203-V206 WeakPolarHBondContact O-CG2 3.45Å; E203-V206 PolarHBondContact O-N 3.3Å; S204-V206 PolarHBondContact O-N 3.24Å; V206-G255 PolarHBondContact O-N 2.88Å; V206-V258 HydrophobicContact CG1-CG2 4.08Å; V206-V261 HydrophobicContact CG1-CG2 4.15Å |
| 207 | D | 93.9 | Very high | 94 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -73.4 | 161.2 | -178.2 | -82.3 | -19.5 | 0 | 0 | 0 | 111.7 | R159 R168 S204 N211 V212 | R159-D207 WeakPolarHBondContact CD-OD1 3.39Å; R168-D207 IonicContact CZ-OD2 3.7Å; R168-D207 IonicContact NE-OD1 2.84Å; R168-D207 PolarHBondContact NE-OD1 2.93Å; R168-D207 IonicContact NE-OD2 3.34Å; R168-D207 PolarHBondContact NE-OD2 2.9Å; R168-D207 IonicContact NH2-OD2 3.81Å; R168-D207 PolarHBondContact NH2-OD2 2.72Å; S204-D207 PolarHBondContact O-N 3.48Å; D207-N211 HydrophobicContact CB-CB 3.94Å; D207-V212 HydrophobicContact CB-CG2 3.85Å |
| 208 | K | 93.7 | Very high | 94.2 | Very high | 17 Ų | 17 | 20.6 Ų | 20.6 | 7% | 0.074 | 11% | 0.114 | C | C | . | . | trans | -58.4 | 151.4 | 171.2 | -51 | -164.3 | 175.3 | 119.4 | 0 | 111.7 | N160 D163 D166 S210 N211 V212 E254 | N160-K208 VanDerWaalsContact O-CE 3.26Å; N160-K208 WeakPolarHBondContact O-CE 3.16Å; N160-K208 PolarHBondContact O-NZ 3.28Å; D163-K208 PolarHBondContact O-NZ 3.16Å; D166-K208 IonicContact OD1-NZ 2.64Å; D166-K208 PolarHBondContact OD1-NZ 3.04Å; D166-K208 IonicContact OD2-NZ 2.86Å; K208-S210 VanDerWaalsContact C-N 3.29Å; K208-S210 PolarHBondContact O-N 2.75Å; K208-N211 HydrophobicContact CB-CB 4.43Å; K208-N211 WeakPolarHBondContact O-CB 3.34Å; K208-N211 PolarHBondContact O-N 3Å; K208-V212 WeakPolarHBondContact O-CG2 3.37Å; K208-V212 PolarHBondContact O-N 3.38Å; K208-E254 VanDerWaalsContact CA-OE2 3.28Å; K208-E254 WeakPolarHBondContact CA-OE2 3.45Å; K208-E254 VanDerWaalsContact CB-OE2 3.29Å; K208-E254 WeakPolarHBondContact CB-OE2 3.33Å; K208-E254 WeakPolarHBondContact CG-OE2 3.44Å | ||
| 209 | Y | 94.3 | Very high | 94.4 | Very high | 58 Ų | 58 | 17.9 Ų | 17.9 | 23% | 0.227 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -49 | -49.2 | 176.2 | 167.7 | -105.3 | 0 | 0 | 0 | 112.8 | N211 V212 I213 E273 S276 I277 | Y209-N211 VanDerWaalsContact C-N 3.27Å; Y209-N211 PolarHBondContact O-N 3.43Å; Y209-V212 PolarHBondContact O-N 2.81Å; Y209-I213 HydrophobicContact CE2-CD1 4.39Å; Y209-I213 HydrophobicContact CE2-CG1 4.48Å; Y209-I213 PolarHBondContact O-N 3.44Å; Y209-E273 WeakPolarHBondContact CB-OE2 3.36Å; Y209-E273 HydrophobicContact CD1-CG 4.01Å; Y209-E273 HydrophobicContact CD2-CB 3.54Å; Y209-E273 HydrophobicContact CD2-CG 3.62Å; Y209-E273 HydrophobicContact CE1-CG 4.35Å; Y209-E273 HydrophobicContact CE2-CB 3.94Å; Y209-E273 HydrophobicContact CE2-CG 4Å; Y209-E273 HydrophobicContact CG-CB 4.04Å; Y209-E273 HydrophobicContact CG-CG 3.63Å; Y209-S276 PolarHBondContact OH-OG 2.84Å; Y209-I277 HydrophobicContact CD2-CD1 3.69Å; Y209-I277 HydrophobicContact CD2-CG1 3.95Å; Y209-I277 HydrophobicContact CE2-CD1 4.31Å; Y209-I277 HydrophobicContact CE2-CG1 4.06Å |
| 210 | S | 94.7 | Very high | 94.4 | Very high | 62 Ų | 62 | 20 Ų | 20 | 43% | 0.434 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -58.7 | -37.5 | 179.4 | 53.4 | 0 | 0 | 0 | 0 | 113.1 | K208 L214 | K208-S210 VanDerWaalsContact C-N 3.29Å; K208-S210 PolarHBondContact O-N 2.75Å; S210-L214 VanDerWaalsContact O-CB 3.3Å; S210-L214 WeakPolarHBondContact O-CB 3.5Å; S210-L214 PolarHBondContact O-N 3.44Å; S210-L214 VanDerWaalsContact O-N 3.1Å |
| 211 | N | 95.9 | Very high | 94.4 | Very high | 3 Ų | 3 | 23.6 Ų | 23.6 | 2% | 0.016 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -72.8 | -47 | 178.5 | -76.7 | -14.2 | 0 | 0 | 0 | 111.3 | T169 I172 D207 K208 Y209 I213 L214 I215 | T169-N211 WeakPolarHBondContact CG2-OD1 3.4Å; T169-N211 PolarHBondContact OG1-ND2 3.46Å; T169-N211 PolarHBondContact OG1-OD1 3.44Å; I172-N211 HydrophobicContact CD1-CB 3.54Å; I172-N211 VanDerWaalsContact CD1-CG 3.48Å; D207-N211 HydrophobicContact CB-CB 3.94Å; K208-N211 HydrophobicContact CB-CB 4.43Å; K208-N211 WeakPolarHBondContact O-CB 3.34Å; K208-N211 PolarHBondContact O-N 3Å; Y209-N211 VanDerWaalsContact C-N 3.27Å; Y209-N211 PolarHBondContact O-N 3.43Å; N211-I213 VanDerWaalsContact C-N 3.31Å; N211-I213 PolarHBondContact O-N 3.4Å; N211-L214 PolarHBondContact O-N 2.79Å; N211-I215 WeakPolarHBondContact O-CB 3.22Å; N211-I215 WeakPolarHBondContact O-CD1 3.45Å; N211-I215 WeakPolarHBondContact O-CG1 3.36Å; N211-I215 PolarHBondContact O-N 2.87Å |
| 212 | V | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.2 | -46.8 | 177.5 | 179.2 | 0 | 0 | 0 | 0 | 110.1 | S204 D207 K208 Y209 L214 I215 L216 L248 I277 | S204-V212 VanDerWaalsContact O-CG2 3.3Å; S204-V212 WeakPolarHBondContact O-CG2 3.31Å; D207-V212 HydrophobicContact CB-CG2 3.85Å; K208-V212 WeakPolarHBondContact O-CG2 3.37Å; K208-V212 PolarHBondContact O-N 3.38Å; Y209-V212 PolarHBondContact O-N 2.81Å; V212-L214 PolarHBondContact O-N 3.26Å; V212-I215 PolarHBondContact O-N 3.09Å; V212-L216 HydrophobicContact CG1-CD1 3.98Å; V212-L216 HydrophobicContact CG1-CG 4.49Å; V212-L216 VanDerWaalsContact O-CG 3.27Å; V212-L216 WeakPolarHBondContact O-CG 3.12Å; V212-L216 PolarHBondContact O-N 2.82Å; V212-L248 HydrophobicContact CG1-CD1 4.15Å; V212-L248 HydrophobicContact CG1-CD2 4.06Å; V212-I277 HydrophobicContact CB-CD1 3.99Å; V212-I277 HydrophobicContact CB-CG1 4.44Å; V212-I277 HydrophobicContact CG1-CD1 3.8Å; V212-I277 HydrophobicContact CG1-CG1 3.93Å; V212-I277 HydrophobicContact CG1-CG2 4.01Å |
| 213 | I | 97.2 | Very high | 94.7 | Very high | 33 Ų | 33 | 22.9 Ų | 22.9 | 17% | 0.169 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.4 | -40.7 | -179.1 | -135.8 | 56.5 | 0 | 0 | 0 | 111.9 | Y209 N211 L216 C217 I277 T280 | Y209-I213 HydrophobicContact CE2-CD1 4.39Å; Y209-I213 HydrophobicContact CE2-CG1 4.48Å; Y209-I213 PolarHBondContact O-N 3.44Å; N211-I213 VanDerWaalsContact C-N 3.31Å; N211-I213 PolarHBondContact O-N 3.4Å; I213-L216 HydrophobicContact CD1-CD1 4.21Å; I213-L216 PolarHBondContact O-N 2.96Å; I213-C217 WeakPolarHBondContact O-CB 3.31Å; I213-C217 PolarHBondContact O-N 2.87Å; I213-C217 PolarHBondContact O-SG 3.37Å; I213-I277 HydrophobicContact CD1-CG1 4.02Å; I213-T280 HydrophobicContact CD1-CG2 4.21Å |
| 214 | L | 96.6 | Very high | 95 | Very high | 34 Ų | 34 | 24.5 Ų | 24.5 | 18% | 0.178 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.4 | -42.5 | 177 | -179.8 | 57.3 | 0 | 0 | 0 | 111.7 | I172 N173 A176 Y180 S210 N211 V212 L216 C217 V218 | I172-L214 HydrophobicContact CG2-CB 4.34Å; I172-L214 HydrophobicContact CG2-CD2 3.65Å; I172-L214 HydrophobicContact CG2-CG 3.92Å; N173-L214 WeakPolarHBondContact OD1-CD2 3.46Å; A176-L214 HydrophobicContact CB-CD1 4.06Å; A176-L214 HydrophobicContact CB-CD2 4.21Å; A176-L214 HydrophobicContact CB-CG 4.29Å; Y180-L214 HydrophobicContact CE2-CD1 4.21Å; S210-L214 VanDerWaalsContact O-CB 3.3Å; S210-L214 WeakPolarHBondContact O-CB 3.5Å; S210-L214 PolarHBondContact O-N 3.44Å; S210-L214 VanDerWaalsContact O-N 3.1Å; N211-L214 PolarHBondContact O-N 2.79Å; V212-L214 PolarHBondContact O-N 3.26Å; L214-L216 VanDerWaalsContact C-N 3.31Å; L214-L216 PolarHBondContact O-N 3.43Å; L214-C217 PolarHBondContact O-N 3.28Å; L214-V218 HydrophobicContact CD1-CG2 4.33Å; L214-V218 WeakPolarHBondContact O-CB 3.44Å; L214-V218 WeakPolarHBondContact O-CG2 3.35Å; L214-V218 PolarHBondContact O-N 2.95Å |
| 215 | I | 97.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.1 | -46.1 | 175 | -68.3 | 162.8 | 0 | 0 | 0 | 110.3 | I172 L200 I201 N211 V212 V218 L219 | I172-I215 HydrophobicContact CD1-CD1 3.86Å; I172-I215 HydrophobicContact CD1-CG1 4.23Å; I172-I215 HydrophobicContact CG1-CD1 4.36Å; I172-I215 HydrophobicContact CG1-CG1 4.37Å; I172-I215 HydrophobicContact CG2-CG1 4Å; L200-I215 HydrophobicContact CD1-CG1 3.87Å; L200-I215 HydrophobicContact CD2-CG2 4.24Å; L200-I215 HydrophobicContact CG-CB 4.41Å; L200-I215 HydrophobicContact CG-CG1 3.94Å; L200-I215 HydrophobicContact CG-CG2 4.02Å; L200-I215 WeakPolarHBondContact O-CD1 3.24Å; I201-I215 HydrophobicContact CD1-CG2 3.85Å; N211-I215 WeakPolarHBondContact O-CB 3.22Å; N211-I215 WeakPolarHBondContact O-CD1 3.45Å; N211-I215 WeakPolarHBondContact O-CG1 3.36Å; N211-I215 PolarHBondContact O-N 2.87Å; V212-I215 PolarHBondContact O-N 3.09Å; I215-V218 PolarHBondContact O-N 3.07Å; I215-L219 HydrophobicContact CG2-CD1 4.09Å; I215-L219 WeakPolarHBondContact O-CG 3.34Å; I215-L219 PolarHBondContact O-N 2.96Å |
| 216 | L | 97.8 | Very high | 94.6 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.8 | -40.9 | 178.4 | -67.3 | 169.2 | 0 | 0 | 0 | 112.2 | V212 I213 L214 L219 K220 L245 L248 I277 T280 V281 L284 | V212-L216 HydrophobicContact CG1-CD1 3.98Å; V212-L216 HydrophobicContact CG1-CG 4.49Å; V212-L216 VanDerWaalsContact O-CG 3.27Å; V212-L216 WeakPolarHBondContact O-CG 3.12Å; V212-L216 PolarHBondContact O-N 2.82Å; I213-L216 HydrophobicContact CD1-CD1 4.21Å; I213-L216 PolarHBondContact O-N 2.96Å; L214-L216 VanDerWaalsContact C-N 3.31Å; L214-L216 PolarHBondContact O-N 3.43Å; L216-L219 PolarHBondContact O-N 3.29Å; L216-K220 VanDerWaalsContact O-CB 3.22Å; L216-K220 WeakPolarHBondContact O-CB 3.2Å; L216-K220 PolarHBondContact O-N 3.44Å; L216-L245 HydrophobicContact CD2-CD2 3.56Å; L216-L248 HydrophobicContact CD1-CD1 4.47Å; L216-L248 HydrophobicContact CD2-CD1 3.94Å; L216-L248 HydrophobicContact CG-CD1 4.44Å; L216-I277 HydrophobicContact CD1-CG2 4.38Å; L216-T280 HydrophobicContact CB-CG2 3.76Å; L216-T280 HydrophobicContact CD1-CG2 4.08Å; L216-V281 HydrophobicContact CD1-CG2 3.5Å; L216-V281 HydrophobicContact CD2-CG2 3.6Å; L216-V281 HydrophobicContact CG-CG2 4.2Å; L216-L284 HydrophobicContact CD2-CD2 4.28Å |
| 217 | C | 96.7 | Very high | 94.4 | Very high | 44 Ų | 44 | 31 Ų | 31 | 30% | 0.297 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -63 | -43.1 | 175.5 | -73.9 | 0 | 0 | 0 | 0 | 112.2 | Y180 I213 L214 K220 K221 | Y180-C217 WeakPolarHBondContact OH-CB 3.48Å; I213-C217 WeakPolarHBondContact O-CB 3.31Å; I213-C217 PolarHBondContact O-N 2.87Å; I213-C217 PolarHBondContact O-SG 3.37Å; L214-C217 PolarHBondContact O-N 3.28Å; C217-K220 PolarHBondContact O-N 3.05Å; C217-K221 PolarHBondContact O-N 3.33Å |
| 218 | V | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.6 | -50.4 | 174.9 | 164.6 | 0 | 0 | 0 | 0 | 110.7 | A176 V179 Y180 L197 L200 L214 I215 K220 K221 V222 | A176-V218 HydrophobicContact CB-CG2 3.81Å; V179-V218 HydrophobicContact CB-CG1 4.48Å; V179-V218 HydrophobicContact CG1-CG1 4.48Å; V179-V218 HydrophobicContact CG2-CG1 3.97Å; Y180-V218 HydrophobicContact CE2-CG2 4.08Å; L197-V218 HydrophobicContact CD2-CG1 4.45Å; L200-V218 HydrophobicContact CD2-CB 4.17Å; L200-V218 HydrophobicContact CD2-CG1 3.62Å; L214-V218 HydrophobicContact CD1-CG2 4.33Å; L214-V218 WeakPolarHBondContact O-CB 3.44Å; L214-V218 WeakPolarHBondContact O-CG2 3.35Å; L214-V218 PolarHBondContact O-N 2.95Å; I215-V218 PolarHBondContact O-N 3.07Å; V218-K220 VanDerWaalsContact C-N 3.33Å; V218-K220 PolarHBondContact O-N 3.34Å; V218-K221 PolarHBondContact O-N 3.37Å; V218-V222 WeakPolarHBondContact O-CG2 3.5Å; V218-V222 PolarHBondContact O-N 2.95Å |
| 219 | L | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.9 | -37.1 | 179.3 | -70.4 | 177.7 | 0 | 0 | 0 | 112.2 | I201 I215 L216 V222 A223 V236 F237 L245 L284 | I201-L219 HydrophobicContact CD1-CD1 3.89Å; I201-L219 HydrophobicContact CG1-CD1 4.46Å; I215-L219 HydrophobicContact CG2-CD1 4.09Å; I215-L219 WeakPolarHBondContact O-CG 3.34Å; I215-L219 PolarHBondContact O-N 2.96Å; L216-L219 PolarHBondContact O-N 3.29Å; L219-V222 WeakPolarHBondContact O-CB 3.5Å; L219-V222 PolarHBondContact O-N 3.42Å; L219-A223 WeakPolarHBondContact O-CB 3.36Å; L219-A223 PolarHBondContact O-N 3.08Å; L219-V236 HydrophobicContact CD2-CG1 4.19Å; L219-F237 HydrophobicContact CB-CE1 4.14Å; L219-F237 HydrophobicContact CB-CZ 4.38Å; L219-F237 HydrophobicContact CD2-CE1 4.22Å; L219-F237 HydrophobicContact CD2-CZ 4.5Å; L219-F237 WeakPolarHBondContact O-CZ 3.22Å; L219-L245 HydrophobicContact CD1-CD2 3.99Å; L219-L284 HydrophobicContact CB-CD2 3.95Å |
| 220 | K | 95.2 | Very high | 93.5 | Very high | 73 Ų | 73 | 32.2 Ų | 32.2 | 32% | 0.317 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.6 | -46.5 | 174.4 | -177.3 | -179.5 | 176 | -175.3 | 0 | 111.8 | L216 C217 V218 V222 A223 E224 L284 | L216-K220 VanDerWaalsContact O-CB 3.22Å; L216-K220 WeakPolarHBondContact O-CB 3.2Å; L216-K220 PolarHBondContact O-N 3.44Å; C217-K220 PolarHBondContact O-N 3.05Å; V218-K220 VanDerWaalsContact C-N 3.33Å; V218-K220 PolarHBondContact O-N 3.34Å; K220-V222 VanDerWaalsContact C-N 3.29Å; K220-V222 PolarHBondContact O-N 3.15Å; K220-A223 PolarHBondContact O-N 3.32Å; K220-A223 VanDerWaalsContact O-N 3.15Å; K220-E224 VanDerWaalsContact CE-CD 3.49Å; K220-E224 WeakPolarHBondContact CE-OE1 3.39Å; K220-E224 HydrophobicContact CG-CG 4.33Å; K220-E224 IonicContact NZ-OE1 3.77Å; K220-E224 WeakPolarHBondContact O-CB 3.42Å; K220-E224 WeakPolarHBondContact O-CG 3.47Å; K220-E224 PolarHBondContact O-N 3.04Å; K220-L284 HydrophobicContact CB-CD1 4.22Å |
| 221 | K | 93.7 | Very high | 93 | Very high | 76 Ų | 76 | 33.5 Ų | 33.5 | 33% | 0.33 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -60.5 | -39 | 175.9 | -168 | 81.4 | 171.4 | -162.4 | 0 | 111.4 | V179 D182 C217 V218 N225 | V179-K221 HydrophobicContact CG1-CB 3.97Å; V179-K221 HydrophobicContact CG1-CG 3.89Å; D182-K221 VanDerWaalsContact OD1-CE 3.25Å; D182-K221 WeakPolarHBondContact OD1-CE 2.99Å; D182-K221 IonicContact OD1-NZ 3.05Å; D182-K221 PolarHBondContact OD1-NZ 2.92Å; C217-K221 PolarHBondContact O-N 3.33Å; V218-K221 PolarHBondContact O-N 3.37Å; K221-N225 VanDerWaalsContact O-CB 3.24Å; K221-N225 WeakPolarHBondContact O-CB 3.42Å; K221-N225 PolarHBondContact O-N 3.13Å; K221-N225 VanDerWaalsContact O-N 3.13Å |
| 222 | V | 93.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.2 | -44 | 173.9 | 172.3 | 0 | 0 | 0 | 0 | 111.8 | L187 I191 L197 V218 L219 K220 V236 F237 | L187-V222 HydrophobicContact CD1-CG2 4Å; I191-V222 HydrophobicContact CD1-CG1 3.75Å; I191-V222 HydrophobicContact CD1-CG2 4.4Å; I191-V222 HydrophobicContact CG1-CG1 4.27Å; L197-V222 HydrophobicContact CD1-CG2 4.38Å; V218-V222 WeakPolarHBondContact O-CG2 3.5Å; V218-V222 PolarHBondContact O-N 2.95Å; L219-V222 WeakPolarHBondContact O-CB 3.5Å; L219-V222 PolarHBondContact O-N 3.42Å; K220-V222 VanDerWaalsContact C-N 3.29Å; K220-V222 PolarHBondContact O-N 3.15Å; V222-V236 HydrophobicContact CG1-CG1 4.36Å; V222-F237 HydrophobicContact CG1-CE2 4.32Å |
| 223 | A | 93 | Very high | 92.4 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.8 | -46.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L219 K220 N225 R233 F237 L284 L288 | L219-A223 WeakPolarHBondContact O-CB 3.36Å; L219-A223 PolarHBondContact O-N 3.08Å; K220-A223 PolarHBondContact O-N 3.32Å; K220-A223 VanDerWaalsContact O-N 3.15Å; A223-N225 PolarHBondContact O-N 3.06Å; A223-R233 PolarHBondContact O-NE 3.45Å; A223-F237 HydrophobicContact CB-CE2 3.92Å; A223-F237 HydrophobicContact CB-CZ 3.81Å; A223-L284 HydrophobicContact CB-CD1 3.88Å; A223-L288 HydrophobicContact CB-CD2 3.89Å |
| 224 | E | 91.9 | Very high | 92 | Very high | 90 Ų | 90 | 35.2 Ų | 35.2 | 42% | 0.421 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -78.8 | -16.7 | -174.3 | -68 | 175.4 | 166.9 | 0 | 0 | 113.6 | K220 S226 | K220-E224 VanDerWaalsContact CE-CD 3.49Å; K220-E224 WeakPolarHBondContact CE-OE1 3.39Å; K220-E224 HydrophobicContact CG-CG 4.33Å; K220-E224 IonicContact NZ-OE1 3.77Å; K220-E224 WeakPolarHBondContact O-CB 3.42Å; K220-E224 WeakPolarHBondContact O-CG 3.47Å; K220-E224 PolarHBondContact O-N 3.04Å; E224-S226 PolarHBondContact O-N 3.2Å |
| 225 | N | 90.9 | Very high | 91.6 | Very high | 23 Ų | 23 | 41.7 Ų | 41.7 | 12% | 0.123 | 22% | 0.217 | C | C | . | . | trans | -70.5 | 121.4 | -177.4 | -171.9 | -56.7 | 0 | 0 | 0 | 111.8 | N184 L187 K221 A223 S227 V228 R233 | N184-N225 PolarHBondContact OD1-ND2 3.5Å; N184-N225 PolarHBondContact OD1-OD1 3.21Å; L187-N225 HydrophobicContact CD2-CB 3.93Å; L187-N225 VanDerWaalsContact CD2-ND2 3.26Å; L187-N225 WeakPolarHBondContact CD2-ND2 3.45Å; K221-N225 VanDerWaalsContact O-CB 3.24Å; K221-N225 WeakPolarHBondContact O-CB 3.42Å; K221-N225 PolarHBondContact O-N 3.13Å; K221-N225 VanDerWaalsContact O-N 3.13Å; A223-N225 PolarHBondContact O-N 3.06Å; N225-S227 VanDerWaalsContact C-N 3.32Å; N225-S227 PolarHBondContact O-N 2.93Å; N225-S227 WeakPolarHBondContact OD1-CA 3.47Å; N225-S227 VanDerWaalsContact OD1-CB 3.29Å; N225-S227 WeakPolarHBondContact OD1-CB 3.5Å; N225-S227 PolarHBondContact OD1-N 3.45Å; N225-S227 PolarHBondContact OD1-OG 3.41Å; N225-V228 HydrophobicContact CB-CG2 3.99Å; N225-V228 PolarHBondContact O-N 3.34Å; N225-R233 PolarHBondContact O-NH2 2.89Å | ||
| 226 | S | 88.9 | Confident | 91.3 | Very high | 99 Ų | 99 | 42 Ų | 42 | 69% | 0.692 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -22.5 | -177.1 | 58.7 | 0 | 0 | 0 | 0 | 114.7 | E224 V228 | E224-S226 PolarHBondContact O-N 3.2Å; S226-V228 VanDerWaalsContact C-N 3.32Å |
| 227 | S | 87.7 | Confident | 91.2 | Very high | 35 Ų | 35 | 42 Ų | 42 | 25% | 0.245 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -20.8 | 177.7 | 76.8 | 0 | 0 | 0 | 0 | 113.2 | N184 N225 S229 | N184-S227 WeakPolarHBondContact CB-OG 3.4Å; N184-S227 PolarHBondContact OD1-OG 3.03Å; N225-S227 VanDerWaalsContact C-N 3.32Å; N225-S227 PolarHBondContact O-N 2.93Å; N225-S227 WeakPolarHBondContact OD1-CA 3.47Å; N225-S227 VanDerWaalsContact OD1-CB 3.29Å; N225-S227 WeakPolarHBondContact OD1-CB 3.5Å; N225-S227 PolarHBondContact OD1-N 3.45Å; N225-S227 PolarHBondContact OD1-OG 3.41Å; S227-S229 PolarHBondContact O-N 3.02Å |
| 228 | V | 90 | Very high | 90.9 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -76.3 | 121.5 | 176 | -175.7 | 0 | 0 | 0 | 0 | 108.4 | L187 I191 N225 S226 Q232 R233 | L187-V228 HydrophobicContact CD2-CG2 4.08Å; I191-V228 HydrophobicContact CD1-CB 4.43Å; I191-V228 HydrophobicContact CD1-CG1 3.92Å; I191-V228 HydrophobicContact CD1-CG2 3.56Å; N225-V228 HydrophobicContact CB-CG2 3.99Å; N225-V228 PolarHBondContact O-N 3.34Å; S226-V228 VanDerWaalsContact C-N 3.32Å; V228-Q232 HydrophobicContact CG1-CB 3.72Å; V228-R233 HydrophobicContact CB-CG 4.44Å; V228-R233 HydrophobicContact CG1-CG 3.69Å; V228-R233 PolarHBondContact O-NH1 2.67Å; V228-R233 PolarHBondContact O-NH2 2.85Å |
| 229 | S | 88.3 | Confident | 90.7 | Very high | 52 Ų | 52 | 48.5 Ų | 48.5 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | trans | -69.7 | 156.8 | 178.8 | 65.6 | 0 | 0 | 0 | 0 | 111.7 | S227 T231 Q232 R233 | S227-S229 PolarHBondContact O-N 3.02Å; S229-T231 PolarHBondContact O-N 2.82Å; S229-Q232 WeakPolarHBondContact O-CB 3.44Å; S229-Q232 PolarHBondContact O-N 3.26Å; S229-Q232 VanDerWaalsContact O-N 3.08Å; S229-Q232 WeakPolarHBondContact OG-CB 3.48Å; S229-Q232 VanDerWaalsContact OG-CG 3.29Å; S229-Q232 WeakPolarHBondContact OG-CG 3.42Å; S229-Q232 PolarHBondContact OG-N 3.04Å; S229-Q232 PolarHBondContact OG-OE1 2.74Å; S229-R233 PolarHBondContact O-N 2.91Å | ||
| 230 | K | 84.8 | Confident | 90.5 | Very high | 49 Ų | 49 | 52.2 Ų | 52.2 | 21% | 0.213 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.2 | -38.5 | 176.4 | -161.8 | 167.8 | -166.7 | 159.9 | 0 | 112.4 | R233 I234 S292 V297 F298 | K230-R233 PolarHBondContact O-N 3.28Å; K230-I234 HydrophobicContact CG-CD1 4.26Å; K230-I234 WeakPolarHBondContact O-CD1 3.24Å; K230-I234 VanDerWaalsContact O-CG1 3.29Å; K230-I234 WeakPolarHBondContact O-CG1 3.46Å; K230-I234 PolarHBondContact O-N 3.09Å; K230-S292 PolarHBondContact NZ-O 3.37Å; K230-V297 WeakPolarHBondContact CE-O 3.42Å; K230-V297 PolarHBondContact NZ-O 3.44Å; K230-F298 HydrophobicContact CD-CD1 4.07Å; K230-F298 HydrophobicContact CD-CE1 3.93Å; K230-F298 HydrophobicContact CG-CE1 4.41Å |
| 231 | T | 84.3 | Confident | 90.5 | Very high | 88 Ų | 88 | 48.8 Ų | 48.8 | 54% | 0.54 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.6 | -42.7 | 174.5 | -52.2 | 0 | 0 | 0 | 0 | 112.2 | S229 I234 R235 | S229-T231 PolarHBondContact O-N 2.82Å; T231-I234 PolarHBondContact O-N 3.15Å; T231-R235 WeakPolarHBondContact O-CG 3.26Å; T231-R235 PolarHBondContact O-N 2.94Å |
| 232 | Q | 88.6 | Confident | 90.6 | Very high | 22 Ų | 22 | 45.2 Ų | 45.2 | 10% | 0.103 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.6 | -44 | 174.3 | -78.2 | 169 | -44 | 0 | 0 | 111.4 | I191 D192 V228 S229 I234 R235 V236 | I191-Q232 HydrophobicContact CG2-CB 4.04Å; I191-Q232 HydrophobicContact CG2-CG 4.34Å; D192-Q232 PolarHBondContact OD1-NE2 3.38Å; D192-Q232 PolarHBondContact OD2-NE2 2.69Å; V228-Q232 HydrophobicContact CG1-CB 3.72Å; S229-Q232 WeakPolarHBondContact O-CB 3.44Å; S229-Q232 PolarHBondContact O-N 3.26Å; S229-Q232 VanDerWaalsContact O-N 3.08Å; S229-Q232 WeakPolarHBondContact OG-CB 3.48Å; S229-Q232 VanDerWaalsContact OG-CG 3.29Å; S229-Q232 WeakPolarHBondContact OG-CG 3.42Å; S229-Q232 PolarHBondContact OG-N 3.04Å; S229-Q232 PolarHBondContact OG-OE1 2.74Å; Q232-I234 VanDerWaalsContact C-N 3.31Å; Q232-I234 PolarHBondContact O-N 3.47Å; Q232-R235 WeakPolarHBondContact O-CB 3.35Å; Q232-R235 PolarHBondContact O-N 2.81Å; Q232-R235 VanDerWaalsContact O-N 3.08Å; Q232-V236 WeakPolarHBondContact O-CG2 3.44Å; Q232-V236 PolarHBondContact O-N 2.84Å; Q232-V236 VanDerWaalsContact O-N 3.07Å |
| 233 | R | 91 | Very high | 90.5 | Very high | 8 Ų | 8 | 47.7 Ų | 47.7 | 3% | 0.03 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.7 | -41.7 | 175.4 | -65.7 | -167.3 | -165.4 | 92.5 | 7 | 112.1 | A223 N225 V228 S229 K230 R235 V236 F237 R293 S294 L296 | A223-R233 PolarHBondContact O-NE 3.45Å; N225-R233 PolarHBondContact O-NH2 2.89Å; V228-R233 HydrophobicContact CB-CG 4.44Å; V228-R233 HydrophobicContact CG1-CG 3.69Å; V228-R233 PolarHBondContact O-NH1 2.67Å; V228-R233 PolarHBondContact O-NH2 2.85Å; S229-R233 PolarHBondContact O-N 2.91Å; K230-R233 PolarHBondContact O-N 3.28Å; R233-R235 VanDerWaalsContact C-N 3.27Å; R233-R235 PolarHBondContact O-N 3.44Å; R233-V236 PolarHBondContact O-N 3.27Å; R233-F237 HydrophobicContact CB-CD2 4.17Å; R233-F237 WeakPolarHBondContact O-CB 3.48Å; R233-F237 VanDerWaalsContact O-CD2 3.27Å; R233-F237 WeakPolarHBondContact O-CD2 3.43Å; R233-F237 PolarHBondContact O-N 3.4Å; R233-R293 PolarHBondContact NH1-O 3.12Å; R233-S294 WeakPolarHBondContact CD-O 3.4Å; R233-S294 PolarHBondContact NE-O 2.91Å; R233-S294 VanDerWaalsContact NE-O 3.09Å; R233-L296 HydrophobicContact CB-CD2 4.34Å |
| 234 | I | 88.6 | Confident | 90.6 | Very high | 43 Ų | 43 | 50.9 Ų | 50.9 | 22% | 0.221 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.3 | -33.7 | 177 | -71.1 | 158.8 | 0 | 0 | 0 | 112.2 | K230 T231 Q232 F237 N238 L296 F298 L311 | K230-I234 HydrophobicContact CG-CD1 4.26Å; K230-I234 WeakPolarHBondContact O-CD1 3.24Å; K230-I234 VanDerWaalsContact O-CG1 3.29Å; K230-I234 WeakPolarHBondContact O-CG1 3.46Å; K230-I234 PolarHBondContact O-N 3.09Å; T231-I234 PolarHBondContact O-N 3.15Å; Q232-I234 VanDerWaalsContact C-N 3.31Å; Q232-I234 PolarHBondContact O-N 3.47Å; I234-F237 CarbonylContact O-C 3.59Å; I234-N238 WeakPolarHBondContact O-CA 3.45Å; I234-N238 PolarHBondContact O-N 2.98Å; I234-L296 HydrophobicContact CG1-CD2 4.02Å; I234-F298 HydrophobicContact CD1-CE1 4.05Å; I234-F298 HydrophobicContact CD1-CE2 4.3Å; I234-F298 HydrophobicContact CD1-CZ 3.39Å; I234-L311 HydrophobicContact CG2-CD1 3.67Å |
| 235 | R | 88.9 | Confident | 90.8 | Very high | 169 Ų | 169 | 46.6 Ų | 46.6 | 64% | 0.638 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -68.3 | -41.7 | 175 | -69.8 | 175 | -177.6 | 179.6 | -0.3 | 111.8 | T231 Q232 R233 N238 | T231-R235 WeakPolarHBondContact O-CG 3.26Å; T231-R235 PolarHBondContact O-N 2.94Å; Q232-R235 WeakPolarHBondContact O-CB 3.35Å; Q232-R235 PolarHBondContact O-N 2.81Å; Q232-R235 VanDerWaalsContact O-N 3.08Å; R233-R235 VanDerWaalsContact C-N 3.27Å; R233-R235 PolarHBondContact O-N 3.44Å; R235-N238 PolarHBondContact O-ND2 3.23Å |
| 236 | V | 92.1 | Very high | 91 | Very high | 9 Ų | 9 | 45.5 Ų | 45.5 | 6% | 0.055 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70.7 | -55.7 | 177.7 | 176.5 | 0 | 0 | 0 | 0 | 111.3 | I191 L197 L219 V222 Q232 R233 N238 C241 | I191-V236 HydrophobicContact CG1-CG2 4.42Å; I191-V236 HydrophobicContact CG2-CG2 3.59Å; L197-V236 HydrophobicContact CB-CG1 4.33Å; L197-V236 HydrophobicContact CD1-CB 4.29Å; L197-V236 HydrophobicContact CD1-CG1 3.53Å; L197-V236 HydrophobicContact CD1-CG2 3.73Å; L219-V236 HydrophobicContact CD2-CG1 4.19Å; V222-V236 HydrophobicContact CG1-CG1 4.36Å; Q232-V236 WeakPolarHBondContact O-CG2 3.44Å; Q232-V236 PolarHBondContact O-N 2.84Å; Q232-V236 VanDerWaalsContact O-N 3.07Å; R233-V236 PolarHBondContact O-N 3.27Å; V236-N238 PolarHBondContact O-N 3.46Å; V236-N238 VanDerWaalsContact O-N 3.07Å; V236-C241 WeakPolarHBondContact O-CB 3.3Å |
| 237 | F | 94 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | 50.8 | 178.3 | -55.2 | -73.2 | 0 | 0 | 0 | 110.8 | L219 V222 A223 R233 I234 L242 L245 L288 L296 | L219-F237 HydrophobicContact CB-CE1 4.14Å; L219-F237 HydrophobicContact CB-CZ 4.38Å; L219-F237 HydrophobicContact CD2-CE1 4.22Å; L219-F237 HydrophobicContact CD2-CZ 4.5Å; L219-F237 WeakPolarHBondContact O-CZ 3.22Å; V222-F237 HydrophobicContact CG1-CE2 4.32Å; A223-F237 HydrophobicContact CB-CE2 3.92Å; A223-F237 HydrophobicContact CB-CZ 3.81Å; R233-F237 HydrophobicContact CB-CD2 4.17Å; R233-F237 WeakPolarHBondContact O-CB 3.48Å; R233-F237 VanDerWaalsContact O-CD2 3.27Å; R233-F237 WeakPolarHBondContact O-CD2 3.43Å; R233-F237 PolarHBondContact O-N 3.4Å; I234-F237 CarbonylContact O-C 3.59Å; F237-L242 HydrophobicContact CB-CD2 4.27Å; F237-L245 HydrophobicContact CD1-CD1 4.22Å; F237-L245 HydrophobicContact CE1-CD1 4.44Å; F237-L288 HydrophobicContact CB-CD1 4.5Å; F237-L288 HydrophobicContact CD1-CD1 3.59Å; F237-L288 HydrophobicContact CD1-CD2 4.37Å; F237-L288 HydrophobicContact CD2-CD1 4.44Å; F237-L288 HydrophobicContact CD2-CD2 3.74Å; F237-L288 HydrophobicContact CE1-CD1 3.85Å; F237-L288 HydrophobicContact CE1-CD2 4.46Å; F237-L288 HydrophobicContact CE2-CD2 3.87Å; F237-L288 HydrophobicContact CG-CD1 3.92Å; F237-L288 HydrophobicContact CG-CD2 4.02Å; F237-L288 HydrophobicContact CZ-CD1 4.4Å; F237-L288 HydrophobicContact CZ-CD2 4.24Å; F237-L296 HydrophobicContact CB-CD1 3.94Å; F237-L296 HydrophobicContact CB-CD2 4.22Å |
| 238 | N | 91.5 | Very high | 91.6 | Very high | 40 Ų | 40 | 39.9 Ų | 39.9 | 21% | 0.214 | 19% | 0.187 | C | C | . | . | trans | -71.1 | 177.4 | 173.5 | 65.4 | 47.9 | 0 | 0 | 0 | 110.7 | D198 I234 R235 V236 H240 C241 L242 | D198-N238 PolarHBondContact OD1-ND2 3.3Å; I234-N238 WeakPolarHBondContact O-CA 3.45Å; I234-N238 PolarHBondContact O-N 2.98Å; R235-N238 PolarHBondContact O-ND2 3.23Å; V236-N238 PolarHBondContact O-N 3.46Å; V236-N238 VanDerWaalsContact O-N 3.07Å; N238-H240 VanDerWaalsContact C-N 3.27Å; N238-H240 PolarHBondContact O-N 2.6Å; N238-H240 WeakPolarHBondContact OD1-CA 3.46Å; N238-H240 WeakPolarHBondContact OD1-CB 3.38Å; N238-H240 PolarHBondContact OD1-N 3.18Å; N238-C241 PolarHBondContact O-N 3Å; N238-C241 PolarHBondContact OD1-N 3.41Å; N238-L242 WeakPolarHBondContact O-CG 3.48Å; N238-L242 PolarHBondContact O-N 3.05Å | ||
| 239 | R | 92.1 | Very high | 91.8 | Very high | 141 Ų | 141 | 40 Ų | 40 | 53% | 0.532 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -50.9 | -43.9 | 179.6 | -179.4 | -176.8 | 176.6 | -174.4 | 1.8 | 113.2 | Q243 L311 | R239-Q243 WeakPolarHBondContact O-CB 3.33Å; R239-Q243 VanDerWaalsContact O-CG 3.26Å; R239-Q243 WeakPolarHBondContact O-CG 3.46Å; R239-Q243 PolarHBondContact O-N 3.49Å; R239-L311 HydrophobicContact CB-CD2 4.27Å |
| 240 | H | 91.9 | Very high | 92 | Very high | 77 Ų | 77 | 41.1 Ų | 41.1 | 36% | 0.356 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -67.4 | -47.6 | -177.6 | 173.3 | -101.9 | 0 | 0 | 0 | 111.2 | N238 L242 Q243 K244 | N238-H240 VanDerWaalsContact C-N 3.27Å; N238-H240 PolarHBondContact O-N 2.6Å; N238-H240 WeakPolarHBondContact OD1-CA 3.46Å; N238-H240 WeakPolarHBondContact OD1-CB 3.38Å; N238-H240 PolarHBondContact OD1-N 3.18Å; H240-L242 PolarHBondContact O-N 3.14Å; H240-Q243 PolarHBondContact O-N 2.9Å; H240-K244 VanDerWaalsContact NE2-CE 3.26Å; H240-K244 WeakPolarHBondContact NE2-CE 3.41Å; H240-K244 WeakPolarHBondContact O-CG 3.4Å; H240-K244 PolarHBondContact O-N 3.12Å |
| 241 | C | 94.5 | Very high | 92.4 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.014 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58 | -46.9 | 176.9 | -178.7 | 0 | 0 | 0 | 0 | 111.8 | I201 V236 N238 Q243 K244 L245 | I201-C241 HydrophobicContact CG2-CB 4.38Å; V236-C241 WeakPolarHBondContact O-CB 3.3Å; N238-C241 PolarHBondContact O-N 3Å; N238-C241 PolarHBondContact OD1-N 3.41Å; C241-Q243 PolarHBondContact O-N 3.4Å; C241-K244 PolarHBondContact O-N 3.2Å; C241-L245 WeakPolarHBondContact O-CG 3.49Å; C241-L245 PolarHBondContact O-N 3.08Å |
| 242 | L | 95.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.1 | -42.2 | 178 | -68.2 | 177.2 | 0 | 0 | 0 | 112.5 | F237 N238 H240 K244 L245 T246 L285 L288 F289 L296 L311 C315 | F237-L242 HydrophobicContact CB-CD2 4.27Å; N238-L242 WeakPolarHBondContact O-CG 3.48Å; N238-L242 PolarHBondContact O-N 3.05Å; H240-L242 PolarHBondContact O-N 3.14Å; L242-K244 VanDerWaalsContact C-N 3.3Å; L242-K244 PolarHBondContact O-N 2.94Å; L242-L245 HydrophobicContact CD2-CD1 4.48Å; L242-L245 PolarHBondContact O-N 3.4Å; L242-T246 WeakPolarHBondContact O-CB 3.26Å; L242-T246 PolarHBondContact O-N 3.01Å; L242-T246 PolarHBondContact O-OG1 3.12Å; L242-L285 HydrophobicContact CD2-CD2 4.08Å; L242-L288 HydrophobicContact CD2-CD1 4.33Å; L242-F289 HydrophobicContact CD1-CE1 4.25Å; L242-F289 HydrophobicContact CD1-CZ 4.38Å; L242-F289 HydrophobicContact CD2-CE1 3.96Å; L242-F289 HydrophobicContact CD2-CZ 4.22Å; L242-L296 HydrophobicContact CD1-CD1 4.1Å; L242-L296 HydrophobicContact CD2-CD1 4.22Å; L242-L311 HydrophobicContact CD1-CB 4.43Å; L242-C315 HydrophobicContact CB-CB 4.23Å; L242-C315 HydrophobicContact CD1-CB 4.28Å |
| 243 | Q | 93 | Very high | 92.9 | Very high | 52 Ų | 52 | 37.5 Ų | 37.5 | 24% | 0.243 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.9 | -39.6 | 175.7 | -76.3 | 174.8 | -24.1 | 0 | 0 | 112.3 | R239 H240 C241 S247 | R239-Q243 WeakPolarHBondContact O-CB 3.33Å; R239-Q243 VanDerWaalsContact O-CG 3.26Å; R239-Q243 WeakPolarHBondContact O-CG 3.46Å; R239-Q243 PolarHBondContact O-N 3.49Å; H240-Q243 PolarHBondContact O-N 2.9Å; C241-Q243 PolarHBondContact O-N 3.4Å; Q243-S247 PolarHBondContact O-N 2.88Å |
| 244 | K | 94.1 | Very high | 92.9 | Very high | 66 Ų | 66 | 40 Ų | 40 | 29% | 0.287 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -68.4 | -45.3 | 176.3 | -64.3 | -65.7 | 179.6 | 166.7 | 0 | 111.7 | I201 G202 H240 C241 L242 T246 S247 L248 | I201-K244 HydrophobicContact CD1-CB 4.39Å; I201-K244 HydrophobicContact CG1-CB 3.64Å; I201-K244 HydrophobicContact CG1-CG 4.43Å; G202-K244 WeakPolarHBondContact O-CE 3.37Å; G202-K244 PolarHBondContact O-NZ 3.19Å; H240-K244 VanDerWaalsContact NE2-CE 3.26Å; H240-K244 WeakPolarHBondContact NE2-CE 3.41Å; H240-K244 WeakPolarHBondContact O-CG 3.4Å; H240-K244 PolarHBondContact O-N 3.12Å; C241-K244 PolarHBondContact O-N 3.2Å; L242-K244 VanDerWaalsContact C-N 3.3Å; L242-K244 PolarHBondContact O-N 2.94Å; K244-T246 VanDerWaalsContact C-N 3.32Å; K244-T246 PolarHBondContact O-N 2.88Å; K244-S247 WeakPolarHBondContact O-CB 3.49Å; K244-S247 PolarHBondContact O-N 3.2Å; K244-S247 PolarHBondContact O-OG 2.92Å; K244-L248 PolarHBondContact O-N 3.33Å |
| 245 | L | 96.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.9 | -46.7 | 174.7 | -73.4 | 173.9 | 0 | 0 | 0 | 111.6 | I201 L216 L219 F237 C241 L242 S247 L248 V281 L284 L285 | I201-L245 HydrophobicContact CD1-CD2 3.9Å; I201-L245 HydrophobicContact CD1-CG 4.32Å; L216-L245 HydrophobicContact CD2-CD2 3.56Å; L219-L245 HydrophobicContact CD1-CD2 3.99Å; F237-L245 HydrophobicContact CD1-CD1 4.22Å; F237-L245 HydrophobicContact CE1-CD1 4.44Å; C241-L245 WeakPolarHBondContact O-CG 3.49Å; C241-L245 PolarHBondContact O-N 3.08Å; L242-L245 HydrophobicContact CD2-CD1 4.48Å; L242-L245 PolarHBondContact O-N 3.4Å; L245-S247 VanDerWaalsContact C-N 3.32Å; L245-S247 PolarHBondContact O-N 2.95Å; L245-L248 HydrophobicContact CD2-CD1 4.46Å; L245-L248 VanDerWaalsContact O-CB 3.31Å; L245-L248 WeakPolarHBondContact O-CB 3.19Å; L245-L248 PolarHBondContact O-N 2.9Å; L245-L248 VanDerWaalsContact O-N 3.13Å; L245-V281 VanDerWaalsContact O-CG1 3.31Å; L245-V281 WeakPolarHBondContact O-CG1 3.49Å; L245-L284 HydrophobicContact CD1-CD2 4.21Å; L245-L284 HydrophobicContact CD2-CD2 4.06Å; L245-L285 HydrophobicContact CB-CD2 4.11Å; L245-L285 HydrophobicContact CD1-CD2 4.18Å |
| 246 | T | 94.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.1 | -37.3 | 178.4 | -58.8 | 0 | 0 | 0 | 0 | 112.5 | L242 K244 L248 Y249 C315 Q320 M321 | L242-T246 WeakPolarHBondContact O-CB 3.26Å; L242-T246 PolarHBondContact O-N 3.01Å; L242-T246 PolarHBondContact O-OG1 3.12Å; K244-T246 VanDerWaalsContact C-N 3.32Å; K244-T246 PolarHBondContact O-N 2.88Å; T246-L248 PolarHBondContact O-N 3.21Å; T246-L248 VanDerWaalsContact O-N 3.15Å; T246-Y249 HydrophobicContact CG2-CD2 4.29Å; T246-Y249 WeakPolarHBondContact O-CB 3.24Å; T246-Y249 WeakPolarHBondContact O-CD2 3.32Å; T246-Y249 PolarHBondContact O-N 3.4Å; T246-Y249 VanDerWaalsContact O-N 3.08Å; T246-C315 PolarHBondContact OG1-SG 3.27Å; T246-Q320 HydrophobicContact CG2-CB 3.53Å; T246-M321 HydrophobicContact CG2-CG 3.49Å; T246-M321 VanDerWaalsContact CG2-CG 3.49Å; T246-M321 HydrophobicContact CG2-SD 3.33Å; T246-M321 WeakPolarHBondContact CG2-SD 3.35Å |
| 247 | S | 93.9 | Very high | 92.6 | Very high | 15 Ų | 15 | 40.5 Ų | 40.5 | 11% | 0.105 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.9 | -30.3 | 175.7 | 73.3 | 0 | 0 | 0 | 0 | 112.4 | F205 Q243 K244 L245 Y249 Q250 | F205-S247 WeakPolarHBondContact CE2-O 3.36Å; Q243-S247 PolarHBondContact O-N 2.88Å; K244-S247 WeakPolarHBondContact O-CB 3.49Å; K244-S247 PolarHBondContact O-N 3.2Å; K244-S247 PolarHBondContact O-OG 2.92Å; L245-S247 VanDerWaalsContact C-N 3.32Å; L245-S247 PolarHBondContact O-N 2.95Å; S247-Y249 PolarHBondContact O-N 3.45Å; S247-Y249 VanDerWaalsContact O-N 3.13Å; S247-Q250 PolarHBondContact O-N 3.42Å |
| 248 | L | 95.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -65.7 | -14.3 | 179.4 | -62.3 | 172.1 | 0 | 0 | 0 | 114 | F205 V212 L216 K244 L245 T246 Q250 W251 I277 V281 | F205-L248 HydrophobicContact CD2-CD2 4.31Å; V212-L248 HydrophobicContact CG1-CD1 4.15Å; V212-L248 HydrophobicContact CG1-CD2 4.06Å; L216-L248 HydrophobicContact CD1-CD1 4.47Å; L216-L248 HydrophobicContact CD2-CD1 3.94Å; L216-L248 HydrophobicContact CG-CD1 4.44Å; K244-L248 PolarHBondContact O-N 3.33Å; L245-L248 HydrophobicContact CD2-CD1 4.46Å; L245-L248 VanDerWaalsContact O-CB 3.31Å; L245-L248 WeakPolarHBondContact O-CB 3.19Å; L245-L248 PolarHBondContact O-N 2.9Å; L245-L248 VanDerWaalsContact O-N 3.13Å; T246-L248 PolarHBondContact O-N 3.21Å; T246-L248 VanDerWaalsContact O-N 3.15Å; L248-Q250 PolarHBondContact O-N 3.15Å; L248-W251 HydrophobicContact CD2-CB 4.43Å; L248-W251 VanDerWaalsContact O-CB 3.29Å; L248-W251 WeakPolarHBondContact O-CB 3.34Å; L248-W251 PolarHBondContact O-N 3.05Å; L248-I277 HydrophobicContact CB-CG2 4.31Å; L248-V281 HydrophobicContact CB-CG2 3.71Å; L248-V281 HydrophobicContact CD1-CG2 3.84Å; L248-V281 HydrophobicContact CG-CG2 4.44Å |
| 249 | Y | 94.5 | Very high | 92.1 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -59.3 | -30.2 | 166.7 | -80.7 | -64.3 | 0 | 0 | 0 | 112.2 | T246 S247 R278 V281 H282 L285 L329 R330 L333 | T246-Y249 HydrophobicContact CG2-CD2 4.29Å; T246-Y249 WeakPolarHBondContact O-CB 3.24Å; T246-Y249 WeakPolarHBondContact O-CD2 3.32Å; T246-Y249 PolarHBondContact O-N 3.4Å; T246-Y249 VanDerWaalsContact O-N 3.08Å; S247-Y249 PolarHBondContact O-N 3.45Å; S247-Y249 VanDerWaalsContact O-N 3.13Å; Y249-R278 PolarHBondContact O-NH1 3.43Å; Y249-V281 HydrophobicContact CE2-CG1 4.44Å; Y249-H282 HydrophobicContact CE1-CB 4.1Å; Y249-H282 AromaticContact CZ-ND1 3.98Å; Y249-H282 WeakPolarHBondContact OH-CA 3.36Å; Y249-H282 PolarHBondContact OH-ND1 2.93Å; Y249-L285 HydrophobicContact CE2-CD1 3.74Å; Y249-L329 HydrophobicContact CD1-CB 4.5Å; Y249-L329 HydrophobicContact CE1-CB 3.77Å; Y249-L329 HydrophobicContact CE1-CD1 4.22Å; Y249-R330 HydrophobicContact CD1-CG 4.23Å; Y249-R330 HydrophobicContact CD2-CG 3.87Å; Y249-R330 HydrophobicContact CE1-CG 4.41Å; Y249-R330 HydrophobicContact CE2-CG 4.06Å; Y249-R330 HydrophobicContact CG-CG 3.97Å; Y249-L333 HydrophobicContact CE2-CD2 4.26Å |
| 250 | Q | 91.7 | Very high | 91.9 | Very high | 77 Ų | 77 | 43.9 Ų | 43.9 | 36% | 0.36 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -96.4 | 7.1 | -179.4 | -60 | 176.9 | -5.5 | 0 | 0 | 112.7 | F205 S247 L248 R252 L262 | F205-Q250 HydrophobicContact CE2-CB 4.31Å; S247-Q250 PolarHBondContact O-N 3.42Å; L248-Q250 PolarHBondContact O-N 3.15Å; Q250-R252 PolarHBondContact O-N 3.48Å; Q250-L262 HydrophobicContact CB-CD2 4.25Å |
| 251 | W | 93.8 | Very high | 91.7 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | trans | -64.6 | 133.5 | 179.6 | -175.5 | 90.9 | 0 | 0 | 0 | 110.7 | F205 L248 G253 E273 L274 I277 | F205-W251 HydrophobicContact CE2-CB 4.21Å; F205-W251 PolarHBondContact O-NE1 2.98Å; L248-W251 HydrophobicContact CD2-CB 4.43Å; L248-W251 VanDerWaalsContact O-CB 3.29Å; L248-W251 WeakPolarHBondContact O-CB 3.34Å; L248-W251 PolarHBondContact O-N 3.05Å; W251-G253 VanDerWaalsContact CE2-C 3.45Å; W251-G253 VanDerWaalsContact CE3-N 3.34Å; W251-G253 PolarHBondContact NE1-O 3.29Å; W251-E273 HydrophobicContact CH2-CB 4.35Å; W251-E273 HydrophobicContact CZ3-CB 4.18Å; W251-L274 WeakPolarHBondContact O-CD1 3.26Å; W251-I277 HydrophobicContact CD2-CD1 3.64Å; W251-I277 HydrophobicContact CE3-CD1 3.44Å; W251-I277 VanDerWaalsContact CE3-CD1 3.44Å; W251-I277 HydrophobicContact CG-CD1 4.45Å; W251-I277 HydrophobicContact CH2-CD1 3.59Å; W251-I277 HydrophobicContact CZ2-CD1 3.79Å; W251-I277 HydrophobicContact CZ3-CD1 3.44Å; W251-I277 VanDerWaalsContact CZ3-CD1 3.44Å | ||
| 252 | R | 92 | Very high | 91.4 | Very high | 71 Ų | 71 | 43.6 Ų | 43.6 | 27% | 0.268 | 22% | 0.217 | S | C | . | . | trans | -130.5 | 21.8 | -174.9 | -76.6 | -177.5 | 165.8 | -97.2 | -11.6 | 112.9 | Q250 V261 K264 N266 V269 L274 | Q250-R252 PolarHBondContact O-N 3.48Å; R252-V261 HydrophobicContact CB-CG1 4.15Å; R252-V261 WeakPolarHBondContact CB-O 3.31Å; R252-K264 HydrophobicContact CB-CB 4.26Å; R252-K264 WeakPolarHBondContact CD-O 3.41Å; R252-K264 PolarHBondContact NH1-O 3.44Å; R252-K264 WeakPolarHBondContact O-CD 3.25Å; R252-N266 VanDerWaalsContact CZ-OD1 3.27Å; R252-N266 PolarHBondContact NH1-OD1 3.25Å; R252-N266 PolarHBondContact NH2-OD1 3.3Å; R252-V269 HydrophobicContact CB-CG2 3.89Å; R252-V269 HydrophobicContact CG-CG2 4.28Å; R252-V269 VanDerWaalsContact O-CG2 3.32Å; R252-V269 WeakPolarHBondContact O-CG2 3.38Å; R252-L274 HydrophobicContact CG-CD1 4.42Å | ||
| 253 | G | 91.1 | Very high | 91 | Very high | 9 Ų | 9 | 53 Ų | 53 | 9% | 0.093 | 25% | 0.252 | C | S | . | . | S | Bend | trans | 120.7 | 172.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | W251 V261 | W251-G253 VanDerWaalsContact CE2-C 3.45Å; W251-G253 VanDerWaalsContact CE3-N 3.34Å; W251-G253 PolarHBondContact NE1-O 3.29Å; G253-V261 VanDerWaalsContact O-CG1 3.26Å; G253-V261 WeakPolarHBondContact O-CG1 3.38Å; G253-V261 WeakPolarHBondContact O-CG2 3.42Å |
| 254 | E | 91 | Very high | 90.7 | Very high | 62 Ų | 62 | 52.7 Ų | 52.7 | 29% | 0.29 | 25% | 0.25 | S | C | . | . | trans | -72.9 | 154.3 | 172.4 | 60.9 | -174.8 | -132.3 | 0 | 0 | 112.2 | L161 K208 K264 | L161-E254 HydrophobicContact CD2-CB 4.01Å; L161-E254 HydrophobicContact CD2-CG 4.13Å; K208-E254 VanDerWaalsContact CA-OE2 3.28Å; K208-E254 WeakPolarHBondContact CA-OE2 3.45Å; K208-E254 VanDerWaalsContact CB-OE2 3.29Å; K208-E254 WeakPolarHBondContact CB-OE2 3.33Å; K208-E254 WeakPolarHBondContact CG-OE2 3.44Å; E254-K264 PolarHBondContact O-NZ 3.34Å | ||
| 255 | G | 89.2 | Confident | 90.2 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | trans | -167.1 | 175.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V206 | V206-G255 PolarHBondContact O-N 2.88Š| ||
| 256 | K | 86.2 | Confident | 89.4 | Confident | 157 Ų | 157 | 61 Ų | 61 | 68% | 0.683 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -85.6 | -37.8 | 176.3 | -61.5 | 176.2 | -177.5 | 169.7 | 0 | 111.3 | L161 E260 | L161-K256 HydrophobicContact CD1-CG 4Å; K256-E260 VanDerWaalsContact CB-OE2 3.29Å; K256-E260 WeakPolarHBondContact CB-OE2 3.3Å; K256-E260 PolarHBondContact N-OE2 2.71Å |
| 257 | T | 87.8 | Confident | 88.6 | Confident | 72 Ų | 72 | 65.9 Ų | 65.9 | 44% | 0.442 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -127.8 | 158 | -179.2 | 68 | 0 | 0 | 0 | 0 | 110.8 | D259 E260 V261 | T257-D259 PolarHBondContact O-N 3.21Å; T257-E260 PolarHBondContact O-N 3.5Å; T257-E260 WeakPolarHBondContact OG1-CB 3.44Å; T257-E260 PolarHBondContact OG1-N 3.33Å; T257-V261 PolarHBondContact O-N 3.26Å |
| 258 | V | 86.8 | Confident | 88 | Confident | 75 Ų | 75 | 71.6 Ų | 71.6 | 46% | 0.455 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.3 | -40.1 | 176.1 | 176.3 | 0 | 0 | 0 | 0 | 110.6 | F205 V206 E260 V261 L262 | F205-V258 HydrophobicContact CD1-CB 4.29Å; F205-V258 HydrophobicContact CD1-CG1 3.86Å; F205-V258 HydrophobicContact CD1-CG2 4.11Å; F205-V258 HydrophobicContact CE1-CB 4.46Å; F205-V258 HydrophobicContact CE1-CG1 3.74Å; V206-V258 HydrophobicContact CG1-CG2 4.08Å; V258-E260 PolarHBondContact O-N 3.43Å; V258-V261 PolarHBondContact O-N 3.42Å; V258-L262 HydrophobicContact CG1-CD1 3.9Å; V258-L262 HydrophobicContact CG1-CG 4.4Å; V258-L262 WeakPolarHBondContact O-CG 3.35Å; V258-L262 PolarHBondContact O-N 3.22Å |
| 259 | D | 87.4 | Confident | 87.5 | Confident | 99 Ų | 99 | 72.5 Ų | 72.5 | 53% | 0.529 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.3 | -36.6 | 180 | -62.3 | -30.4 | 0 | 0 | 0 | 112.8 | T257 R263 | T257-D259 PolarHBondContact O-N 3.21Å; D259-R263 WeakPolarHBondContact O-CB 3.25Å; D259-R263 VanDerWaalsContact O-CG 3.25Å; D259-R263 WeakPolarHBondContact O-CG 3.33Å; D259-R263 PolarHBondContact O-N 3.4Å |
| 260 | E | 88.4 | Confident | 87.3 | Confident | 78 Ų | 78 | 76.1 Ų | 76.1 | 36% | 0.364 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.4 | -45 | 175.7 | -176.1 | -177.2 | -176.7 | 0 | 0 | 110.7 | K256 T257 V258 R263 | K256-E260 VanDerWaalsContact CB-OE2 3.29Å; K256-E260 WeakPolarHBondContact CB-OE2 3.3Å; K256-E260 PolarHBondContact N-OE2 2.71Å; T257-E260 PolarHBondContact O-N 3.5Å; T257-E260 WeakPolarHBondContact OG1-CB 3.44Å; T257-E260 PolarHBondContact OG1-N 3.33Å; V258-E260 PolarHBondContact O-N 3.43Å; E260-R263 PolarHBondContact O-N 3.19Å |
| 261 | V | 88.3 | Confident | 87.2 | Confident | 0 Ų | 0 | 79.9 Ų | 79.9 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 178.3 | 176 | 0 | 0 | 0 | 0 | 111.2 | F205 V206 R252 G253 T257 V258 R263 K264 | F205-V261 HydrophobicContact CE1-CB 3.95Å; F205-V261 HydrophobicContact CE1-CG1 3.77Å; F205-V261 HydrophobicContact CZ-CG1 4.04Å; V206-V261 HydrophobicContact CG1-CG2 4.15Å; R252-V261 HydrophobicContact CB-CG1 4.15Å; R252-V261 WeakPolarHBondContact CB-O 3.31Å; G253-V261 VanDerWaalsContact O-CG1 3.26Å; G253-V261 WeakPolarHBondContact O-CG1 3.38Å; G253-V261 WeakPolarHBondContact O-CG2 3.42Å; T257-V261 PolarHBondContact O-N 3.26Å; V258-V261 PolarHBondContact O-N 3.42Å; V261-R263 VanDerWaalsContact C-N 3.26Å; V261-R263 PolarHBondContact O-N 2.86Å; V261-K264 PolarHBondContact O-N 3.35Å |
| 262 | L | 87.2 | Confident | 87.1 | Confident | 74 Ų | 74 | 86.3 Ų | 86.3 | 39% | 0.387 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67.4 | -24.4 | -177.9 | -72 | 173.1 | 0 | 0 | 0 | 113.7 | F205 Q250 V258 | F205-L262 HydrophobicContact CE1-CD2 4.3Å; F205-L262 HydrophobicContact CE1-CG 4.17Å; F205-L262 HydrophobicContact CZ-CD2 3.77Å; F205-L262 HydrophobicContact CZ-CG 4.15Å; Q250-L262 HydrophobicContact CB-CD2 4.25Å; V258-L262 HydrophobicContact CG1-CD1 3.9Å; V258-L262 HydrophobicContact CG1-CG 4.4Å; V258-L262 WeakPolarHBondContact O-CG 3.35Å; V258-L262 PolarHBondContact O-N 3.22Å |
| 263 | R | 88.2 | Confident | 87.1 | Confident | 198 Ų | 198 | 85.5 Ų | 85.5 | 75% | 0.747 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -7.5 | 179.4 | -73.8 | 175.9 | -173.8 | 173.7 | 4.5 | 114.3 | D259 E260 V261 D265 | D259-R263 WeakPolarHBondContact O-CB 3.25Å; D259-R263 VanDerWaalsContact O-CG 3.25Å; D259-R263 WeakPolarHBondContact O-CG 3.33Å; D259-R263 PolarHBondContact O-N 3.4Å; E260-R263 PolarHBondContact O-N 3.19Å; V261-R263 VanDerWaalsContact C-N 3.26Å; V261-R263 PolarHBondContact O-N 2.86Å; R263-D265 PolarHBondContact O-N 3.06Å |
| 264 | K | 86.3 | Confident | 87.2 | Confident | 46 Ų | 46 | 86.8 Ų | 86.8 | 20% | 0.2 | 44% | 0.439 | C | S | . | . | trans | -65.9 | 121.9 | -179.8 | -69.7 | -173.1 | 170.3 | -173.2 | 0 | 111.1 | R252 E254 V261 E268 V269 | R252-K264 HydrophobicContact CB-CB 4.26Å; R252-K264 WeakPolarHBondContact CD-O 3.41Å; R252-K264 PolarHBondContact NH1-O 3.44Å; R252-K264 WeakPolarHBondContact O-CD 3.25Å; E254-K264 PolarHBondContact O-NZ 3.34Å; V261-K264 PolarHBondContact O-N 3.35Å; K264-E268 WeakPolarHBondContact CA-OE2 3.48Å; K264-V269 HydrophobicContact CB-CG2 4.15Å | ||
| 265 | D | 83.6 | Confident | 87.3 | Confident | 113 Ų | 113 | 87.7 Ų | 87.7 | 60% | 0.604 | 45% | 0.449 | S | S | * | . | trans | -70.1 | 156.7 | 177 | -80.3 | -26.3 | 0 | 0 | 0 | 111.2 | R263 A267 E268 V269 | R263-D265 PolarHBondContact O-N 3.06Å; D265-A267 PolarHBondContact O-N 3.45Å; D265-E268 PolarHBondContact O-N 3.42Å; D265-V269 WeakPolarHBondContact O-CG2 3.32Å | ||
| 266 | N | 80.3 | Confident | 87.6 | Confident | 128 Ų | 128 | 89 Ų | 89 | 68% | 0.684 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -25.4 | -178.4 | -68 | -15 | 0 | 0 | 0 | 113.4 | R252 E268 | R252-N266 VanDerWaalsContact CZ-OD1 3.27Å; R252-N266 PolarHBondContact NH1-OD1 3.25Å; R252-N266 PolarHBondContact NH2-OD1 3.3Å; N266-E268 VanDerWaalsContact C-N 3.33Å |
| 267 | A | 77.8 | Confident | 88 | Confident | 103 Ų | 103 | 81.6 Ų | 81.6 | 85% | 0.851 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -21.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | D265 | D265-A267 PolarHBondContact O-N 3.45Š|
| 268 | E | 80.7 | Confident | 88.4 | Confident | 134 Ų | 134 | 80.3 Ų | 80.3 | 63% | 0.626 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -12.3 | -179 | -59.1 | -176.2 | 161.8 | 0 | 0 | 112.9 | K264 D265 N266 | K264-E268 WeakPolarHBondContact CA-OE2 3.48Å; D265-E268 PolarHBondContact O-N 3.42Å; N266-E268 VanDerWaalsContact C-N 3.33Å |
| 269 | V | 85.9 | Confident | 88.9 | Confident | 20 Ų | 20 | 79.6 Ų | 79.6 | 12% | 0.121 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -96.1 | 132.8 | -173.4 | -171.9 | 0 | 0 | 0 | 0 | 110.4 | R252 K264 D265 E271 L274 | R252-V269 HydrophobicContact CB-CG2 3.89Å; R252-V269 HydrophobicContact CG-CG2 4.28Å; R252-V269 VanDerWaalsContact O-CG2 3.32Å; R252-V269 WeakPolarHBondContact O-CG2 3.38Å; K264-V269 HydrophobicContact CB-CG2 4.15Å; D265-V269 WeakPolarHBondContact O-CG2 3.32Å; V269-E271 PolarHBondContact O-N 3.24Å; V269-E271 VanDerWaalsContact O-N 3.07Å; V269-L274 HydrophobicContact CG1-CB 4.03Å; V269-L274 HydrophobicContact CG1-CD1 3.71Å |
| 270 | N | 89.2 | Confident | 89.3 | Confident | 80 Ų | 80 | 76.1 Ų | 76.1 | 43% | 0.428 | 39% | 0.389 | S | S | . | . | trans | -69.3 | 105.3 | 168.1 | -173.6 | -19.8 | 0 | 0 | 0 | 109.6 | H272 E273 L274 | N270-H272 VanDerWaalsContact C-N 3.29Å; N270-H272 PolarHBondContact O-N 3.49Å; N270-H272 PolarHBondContact OD1-N 3.24Å; N270-E273 HydrophobicContact CB-CB 4.11Å; N270-E273 HydrophobicContact CB-CG 4.04Å; N270-E273 VanDerWaalsContact ND2-CD 3.31Å; N270-E273 PolarHBondContact ND2-OE1 3.44Å; N270-E273 PolarHBondContact O-N 2.92Å; N270-L274 PolarHBondContact O-N 2.83Å | ||
| 271 | E | 89.6 | Confident | 89.7 | Confident | 155 Ų | 155 | 72.5 Ų | 72.5 | 72% | 0.724 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -57.6 | -40.5 | -176.8 | -172.9 | 174.4 | -170.9 | 0 | 0 | 112.5 | V269 E273 L274 V275 | V269-E271 PolarHBondContact O-N 3.24Å; V269-E271 VanDerWaalsContact O-N 3.07Å; E271-E273 PolarHBondContact O-N 3.22Å; E271-L274 PolarHBondContact O-N 3.2Å; E271-V275 HydrophobicContact CG-CG2 4.41Å; E271-V275 VanDerWaalsContact O-CG2 3.29Å; E271-V275 WeakPolarHBondContact O-CG2 3.34Å; E271-V275 PolarHBondContact O-N 2.97Å |
| 272 | H | 91.5 | Very high | 90.2 | Very high | 137 Ų | 137 | 73.1 Ų | 73.1 | 63% | 0.634 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.4 | -42 | 179.8 | 180 | -83.9 | 0 | 0 | 0 | 112 | N270 S276 | N270-H272 VanDerWaalsContact C-N 3.29Å; N270-H272 PolarHBondContact O-N 3.49Å; N270-H272 PolarHBondContact OD1-N 3.24Å; H272-S276 VanDerWaalsContact O-CB 3.23Å; H272-S276 WeakPolarHBondContact O-CB 3.36Å; H272-S276 PolarHBondContact O-N 2.98Å |
| 273 | E | 93.2 | Very high | 90.6 | Very high | 54 Ų | 54 | 74.9 Ų | 74.9 | 25% | 0.252 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.5 | -42.9 | 177.3 | -70.2 | 176.8 | -165.1 | 0 | 0 | 111.9 | Y209 W251 N270 E271 S276 I277 | Y209-E273 WeakPolarHBondContact CB-OE2 3.36Å; Y209-E273 HydrophobicContact CD1-CG 4.01Å; Y209-E273 HydrophobicContact CD2-CB 3.54Å; Y209-E273 HydrophobicContact CD2-CG 3.62Å; Y209-E273 HydrophobicContact CE1-CG 4.35Å; Y209-E273 HydrophobicContact CE2-CB 3.94Å; Y209-E273 HydrophobicContact CE2-CG 4Å; Y209-E273 HydrophobicContact CG-CB 4.04Å; Y209-E273 HydrophobicContact CG-CG 3.63Å; W251-E273 HydrophobicContact CH2-CB 4.35Å; W251-E273 HydrophobicContact CZ3-CB 4.18Å; N270-E273 HydrophobicContact CB-CB 4.11Å; N270-E273 HydrophobicContact CB-CG 4.04Å; N270-E273 VanDerWaalsContact ND2-CD 3.31Å; N270-E273 PolarHBondContact ND2-OE1 3.44Å; N270-E273 PolarHBondContact O-N 2.92Å; E271-E273 PolarHBondContact O-N 3.22Å; E273-S276 PolarHBondContact O-N 3.42Å; E273-I277 PolarHBondContact O-N 2.81Å |
| 274 | L | 92.5 | Very high | 91 | Very high | 36 Ų | 36 | 65.5 Ų | 65.5 | 19% | 0.188 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 178 | 178.7 | 146.4 | 0 | 0 | 0 | 111.3 | W251 R252 V269 N270 E271 R278 | W251-L274 WeakPolarHBondContact O-CD1 3.26Å; R252-L274 HydrophobicContact CG-CD1 4.42Å; V269-L274 HydrophobicContact CG1-CB 4.03Å; V269-L274 HydrophobicContact CG1-CD1 3.71Å; N270-L274 PolarHBondContact O-N 2.83Å; E271-L274 PolarHBondContact O-N 3.2Å; L274-R278 WeakPolarHBondContact O-CB 3.4Å; L274-R278 VanDerWaalsContact O-CG 3.24Å; L274-R278 WeakPolarHBondContact O-CG 3.43Å; L274-R278 PolarHBondContact O-N 3.18Å |
| 275 | V | 93.5 | Very high | 91.5 | Very high | 82 Ų | 82 | 63.3 Ų | 63.3 | 50% | 0.497 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 177.5 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | E271 R278 D279 | E271-V275 HydrophobicContact CG-CG2 4.41Å; E271-V275 VanDerWaalsContact O-CG2 3.29Å; E271-V275 WeakPolarHBondContact O-CG2 3.34Å; E271-V275 PolarHBondContact O-N 2.97Å; V275-R278 PolarHBondContact O-N 2.72Å; V275-D279 WeakPolarHBondContact O-CB 3.34Å; V275-D279 PolarHBondContact O-N 2.75Å |
| 276 | S | 95.1 | Very high | 92.1 | Very high | 28 Ų | 28 | 59.1 Ų | 59.1 | 20% | 0.196 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.2 | -46.6 | 179.7 | 177.1 | 0 | 0 | 0 | 0 | 112.9 | Y209 H272 E273 T280 | Y209-S276 PolarHBondContact OH-OG 2.84Å; H272-S276 VanDerWaalsContact O-CB 3.23Å; H272-S276 WeakPolarHBondContact O-CB 3.36Å; H272-S276 PolarHBondContact O-N 2.98Å; E273-S276 PolarHBondContact O-N 3.42Å; S276-T280 WeakPolarHBondContact O-CB 2.95Å; S276-T280 PolarHBondContact O-N 2.96Å; S276-T280 PolarHBondContact O-OG1 3.13Å |
| 277 | I | 95.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.2 | -49 | 175.7 | -74.9 | 167.2 | 0 | 0 | 0 | 110.5 | Y209 V212 I213 L216 L248 W251 E273 D279 T280 V281 | Y209-I277 HydrophobicContact CD2-CD1 3.69Å; Y209-I277 HydrophobicContact CD2-CG1 3.95Å; Y209-I277 HydrophobicContact CE2-CD1 4.31Å; Y209-I277 HydrophobicContact CE2-CG1 4.06Å; V212-I277 HydrophobicContact CB-CD1 3.99Å; V212-I277 HydrophobicContact CB-CG1 4.44Å; V212-I277 HydrophobicContact CG1-CD1 3.8Å; V212-I277 HydrophobicContact CG1-CG1 3.93Å; V212-I277 HydrophobicContact CG1-CG2 4.01Å; I213-I277 HydrophobicContact CD1-CG1 4.02Å; L216-I277 HydrophobicContact CD1-CG2 4.38Å; L248-I277 HydrophobicContact CB-CG2 4.31Å; W251-I277 HydrophobicContact CD2-CD1 3.64Å; W251-I277 HydrophobicContact CE3-CD1 3.44Å; W251-I277 VanDerWaalsContact CE3-CD1 3.44Å; W251-I277 HydrophobicContact CG-CD1 4.45Å; W251-I277 HydrophobicContact CH2-CD1 3.59Å; W251-I277 HydrophobicContact CZ2-CD1 3.79Å; W251-I277 HydrophobicContact CZ3-CD1 3.44Å; W251-I277 VanDerWaalsContact CZ3-CD1 3.44Å; E273-I277 PolarHBondContact O-N 2.81Å; I277-D279 PolarHBondContact O-N 3.14Å; I277-T280 PolarHBondContact O-N 3.44Å; I277-V281 HydrophobicContact CG2-CG2 4.11Å; I277-V281 WeakPolarHBondContact O-CB 3.15Å; I277-V281 VanDerWaalsContact O-CG2 3.25Å; I277-V281 WeakPolarHBondContact O-CG2 3.23Å; I277-V281 PolarHBondContact O-N 2.96Å |
| 278 | R | 95.6 | Very high | 93.6 | Very high | 45 Ų | 45 | 50.3 Ų | 50.3 | 17% | 0.17 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.5 | -45.2 | -178.2 | -76 | 174.6 | 57.4 | 87.1 | 4.3 | 111.9 | Y249 L274 V275 H282 D327 L329 | Y249-R278 PolarHBondContact O-NH1 3.43Å; L274-R278 WeakPolarHBondContact O-CB 3.4Å; L274-R278 VanDerWaalsContact O-CG 3.24Å; L274-R278 WeakPolarHBondContact O-CG 3.43Å; L274-R278 PolarHBondContact O-N 3.18Å; V275-R278 PolarHBondContact O-N 2.72Å; R278-H282 WeakPolarHBondContact O-CB 3.46Å; R278-H282 PolarHBondContact O-N 3.4Å; R278-D327 IonicContact CZ-OD1 3.57Å; R278-D327 IonicContact CZ-OD2 2.66Å; R278-D327 IonicContact NH1-OD2 2.65Å; R278-D327 PolarHBondContact NH1-OD2 2.98Å; R278-D327 IonicContact NH2-OD1 2.75Å; R278-D327 PolarHBondContact NH2-OD1 3.31Å; R278-D327 IonicContact NH2-OD2 3.32Å; R278-D327 PolarHBondContact NH2-OD2 3.4Å; R278-L329 HydrophobicContact CB-CD1 4.05Å |
| 279 | D | 96.6 | Very high | 94.2 | Very high | 61 Ų | 61 | 44 Ų | 44 | 33% | 0.326 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.9 | -43.5 | 176.5 | 178.7 | 53.8 | 0 | 0 | 0 | 111.9 | V275 I277 H282 K283 | V275-D279 WeakPolarHBondContact O-CB 3.34Å; V275-D279 PolarHBondContact O-N 2.75Å; I277-D279 PolarHBondContact O-N 3.14Å; D279-H282 PolarHBondContact O-N 2.72Å; D279-K283 VanDerWaalsContact CG-NZ 3.35Å; D279-K283 WeakPolarHBondContact O-CB 3.48Å; D279-K283 WeakPolarHBondContact O-CG 3.24Å; D279-K283 PolarHBondContact O-N 3.03Å; D279-K283 WeakPolarHBondContact OD1-CE 3.41Å; D279-K283 IonicContact OD1-NZ 3.67Å; D279-K283 PolarHBondContact OD1-NZ 2.79Å; D279-K283 WeakPolarHBondContact OD2-CE 3.29Å; D279-K283 IonicContact OD2-NZ 3.01Å; D279-K283 PolarHBondContact OD2-NZ 3.5Å |
| 280 | T | 96.7 | Very high | 94.3 | Very high | 26 Ų | 26 | 44.9 Ų | 44.9 | 16% | 0.16 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.9 | -44.9 | -179.3 | -54.9 | 0 | 0 | 0 | 0 | 112.1 | I213 L216 S276 I277 H282 L284 | I213-T280 HydrophobicContact CD1-CG2 4.21Å; L216-T280 HydrophobicContact CB-CG2 3.76Å; L216-T280 HydrophobicContact CD1-CG2 4.08Å; S276-T280 WeakPolarHBondContact O-CB 2.95Å; S276-T280 PolarHBondContact O-N 2.96Å; S276-T280 PolarHBondContact O-OG1 3.13Å; I277-T280 PolarHBondContact O-N 3.44Å; T280-H282 VanDerWaalsContact C-N 3.34Å; T280-L284 WeakPolarHBondContact O-CB 3.22Å; T280-L284 PolarHBondContact O-N 3.4Å; T280-L284 VanDerWaalsContact O-N 3.09Å |
| 281 | V | 96.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61 | -45.4 | 174 | 172.9 | 0 | 0 | 0 | 0 | 110.3 | L216 L245 L248 Y249 I277 L284 L285 | L216-V281 HydrophobicContact CD1-CG2 3.5Å; L216-V281 HydrophobicContact CD2-CG2 3.6Å; L216-V281 HydrophobicContact CG-CG2 4.2Å; L245-V281 VanDerWaalsContact O-CG1 3.31Å; L245-V281 WeakPolarHBondContact O-CG1 3.49Å; L248-V281 HydrophobicContact CB-CG2 3.71Å; L248-V281 HydrophobicContact CD1-CG2 3.84Å; L248-V281 HydrophobicContact CG-CG2 4.44Å; Y249-V281 HydrophobicContact CE2-CG1 4.44Å; I277-V281 HydrophobicContact CG2-CG2 4.11Å; I277-V281 WeakPolarHBondContact O-CB 3.15Å; I277-V281 VanDerWaalsContact O-CG2 3.25Å; I277-V281 WeakPolarHBondContact O-CG2 3.23Å; I277-V281 PolarHBondContact O-N 2.96Å; V281-L284 PolarHBondContact O-N 2.9Å; V281-L285 HydrophobicContact CG1-CD1 3.75Å; V281-L285 HydrophobicContact CG1-CG 4.26Å; V281-L285 WeakPolarHBondContact O-CB 3.47Å; V281-L285 WeakPolarHBondContact O-CG 3.28Å; V281-L285 PolarHBondContact O-N 3.45Å |
| 282 | H | 97.6 | Very high | 93.6 | Very high | 13 Ų | 13 | 38.1 Ų | 38.1 | 6% | 0.06 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62 | -46 | -178.7 | -177.9 | 72.4 | 0 | 0 | 0 | 111.7 | Y249 R278 D279 T280 L284 L285 T286 L329 E332 | Y249-H282 HydrophobicContact CE1-CB 4.1Å; Y249-H282 AromaticContact CZ-ND1 3.98Å; Y249-H282 WeakPolarHBondContact OH-CA 3.36Å; Y249-H282 PolarHBondContact OH-ND1 2.93Å; R278-H282 WeakPolarHBondContact O-CB 3.46Å; R278-H282 PolarHBondContact O-N 3.4Å; D279-H282 PolarHBondContact O-N 2.72Å; T280-H282 VanDerWaalsContact C-N 3.34Å; H282-L284 VanDerWaalsContact C-N 3.34Å; H282-L284 PolarHBondContact O-N 3.25Å; H282-L285 PolarHBondContact O-N 2.94Å; H282-T286 WeakPolarHBondContact O-CB 3.47Å; H282-T286 PolarHBondContact O-N 3.41Å; H282-T286 PolarHBondContact O-OG1 3.27Å; H282-L329 HydrophobicContact CB-CD1 4.36Å; H282-L329 PolarHBondContact CE1-O 3.48Å; H282-L329 PolarHBondContact ND1-O 2.94Å; H282-E332 IonicContact NE2-OE2 3.54Å |
| 283 | K | 96.5 | Very high | 93 | Very high | 111 Ų | 111 | 41.6 Ų | 41.6 | 48% | 0.483 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.5 | -43.3 | 175 | -76 | 169.2 | 176.5 | 164.4 | 0 | 112.1 | D279 H287 | D279-K283 VanDerWaalsContact CG-NZ 3.35Å; D279-K283 WeakPolarHBondContact O-CB 3.48Å; D279-K283 WeakPolarHBondContact O-CG 3.24Å; D279-K283 PolarHBondContact O-N 3.03Å; D279-K283 WeakPolarHBondContact OD1-CE 3.41Å; D279-K283 IonicContact OD1-NZ 3.67Å; D279-K283 PolarHBondContact OD1-NZ 2.79Å; D279-K283 WeakPolarHBondContact OD2-CE 3.29Å; D279-K283 IonicContact OD2-NZ 3.01Å; D279-K283 PolarHBondContact OD2-NZ 3.5Å; K283-H287 WeakPolarHBondContact O-CB 3.14Å; K283-H287 PolarHBondContact O-N 3.3Å |
| 284 | L | 96.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.7 | -51.9 | 177.6 | 176.3 | 56.4 | 0 | 0 | 0 | 111.9 | L216 L219 K220 A223 L245 T280 V281 H282 T286 H287 L288 | L216-L284 HydrophobicContact CD2-CD2 4.28Å; L219-L284 HydrophobicContact CB-CD2 3.95Å; K220-L284 HydrophobicContact CB-CD1 4.22Å; A223-L284 HydrophobicContact CB-CD1 3.88Å; L245-L284 HydrophobicContact CD1-CD2 4.21Å; L245-L284 HydrophobicContact CD2-CD2 4.06Å; T280-L284 WeakPolarHBondContact O-CB 3.22Å; T280-L284 PolarHBondContact O-N 3.4Å; T280-L284 VanDerWaalsContact O-N 3.09Å; V281-L284 PolarHBondContact O-N 2.9Å; H282-L284 VanDerWaalsContact C-N 3.34Å; H282-L284 PolarHBondContact O-N 3.25Å; L284-T286 VanDerWaalsContact C-N 3.32Å; L284-T286 PolarHBondContact O-N 2.83Å; L284-H287 WeakPolarHBondContact O-CB 3.19Å; L284-H287 PolarHBondContact O-N 2.61Å; L284-L288 HydrophobicContact CD1-CD1 4.14Å; L284-L288 HydrophobicContact CD1-CG 4.28Å; L284-L288 HydrophobicContact CG-CD1 4.19Å; L284-L288 WeakPolarHBondContact O-CG 3.41Å; L284-L288 PolarHBondContact O-N 3.24Å |
| 285 | L | 96.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63 | -40.1 | 179.4 | -72.9 | 175.6 | 0 | 0 | 0 | 111.5 | L242 L245 Y249 V281 H282 H287 L288 F289 L333 | L242-L285 HydrophobicContact CD2-CD2 4.08Å; L245-L285 HydrophobicContact CB-CD2 4.11Å; L245-L285 HydrophobicContact CD1-CD2 4.18Å; Y249-L285 HydrophobicContact CE2-CD1 3.74Å; V281-L285 HydrophobicContact CG1-CD1 3.75Å; V281-L285 HydrophobicContact CG1-CG 4.26Å; V281-L285 WeakPolarHBondContact O-CB 3.47Å; V281-L285 WeakPolarHBondContact O-CG 3.28Å; V281-L285 PolarHBondContact O-N 3.45Å; H282-L285 PolarHBondContact O-N 2.94Å; L285-H287 PolarHBondContact O-N 3.16Å; L285-L288 PolarHBondContact O-N 3.01Å; L285-F289 HydrophobicContact CD2-CZ 4.4Å; L285-F289 WeakPolarHBondContact O-CB 3.49Å; L285-F289 WeakPolarHBondContact O-CG 2.86Å; L285-F289 PolarHBondContact O-N 3.38Å; L285-L333 HydrophobicContact CB-CD1 3.92Å; L285-L333 HydrophobicContact CB-CD2 3.88Å; L285-L333 HydrophobicContact CD1-CD2 3.87Å; L285-L333 HydrophobicContact CG-CD2 4.49Å |
| 286 | T | 96 | Very high | 91.7 | Very high | 25 Ų | 25 | 34.3 Ų | 34.3 | 15% | 0.153 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.7 | -46.3 | 175.1 | -62.8 | 0 | 0 | 0 | 0 | 110.7 | H282 L284 L288 F289 T290 L336 | H282-T286 WeakPolarHBondContact O-CB 3.47Å; H282-T286 PolarHBondContact O-N 3.41Å; H282-T286 PolarHBondContact O-OG1 3.27Å; L284-T286 VanDerWaalsContact C-N 3.32Å; L284-T286 PolarHBondContact O-N 2.83Å; T286-L288 VanDerWaalsContact C-N 3.34Å; T286-L288 PolarHBondContact O-N 3.16Å; T286-F289 PolarHBondContact O-N 3.32Å; T286-T290 HydrophobicContact CG2-CG2 4.03Å; T286-T290 WeakPolarHBondContact O-CB 3.37Å; T286-T290 VanDerWaalsContact O-CG2 3.32Å; T286-T290 WeakPolarHBondContact O-CG2 3.31Å; T286-T290 PolarHBondContact O-N 2.71Å; T286-T290 PolarHBondContact O-OG1 3.35Å; T286-L336 HydrophobicContact CG2-CD1 3.8Å |
| 287 | H | 94 | Very high | 91.1 | Very high | 46 Ų | 46 | 33.3 Ų | 33.3 | 21% | 0.213 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.4 | -45.5 | 175.2 | -176.4 | 89.2 | 0 | 0 | 0 | 112.1 | K283 L284 L285 F289 S291 S294 | K283-H287 WeakPolarHBondContact O-CB 3.14Å; K283-H287 PolarHBondContact O-N 3.3Å; L284-H287 WeakPolarHBondContact O-CB 3.19Å; L284-H287 PolarHBondContact O-N 2.61Å; L285-H287 PolarHBondContact O-N 3.16Å; H287-F289 VanDerWaalsContact C-N 3.33Å; H287-F289 PolarHBondContact O-N 2.85Å; H287-S291 VanDerWaalsContact O-CB 3.23Å; H287-S291 WeakPolarHBondContact O-CB 3.21Å; H287-S291 PolarHBondContact O-N 2.76Å; H287-S291 VanDerWaalsContact O-N 3.14Å; H287-S294 PolarHBondContact CE1-OG 2.65Å; H287-S294 WeakPolarHBondContact NE2-CB 3.4Å; H287-S294 PolarHBondContact NE2-OG 3.42Å |
| 288 | L | 94.5 | Very high | 90 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.9 | -36.9 | 177.9 | -69 | 171.5 | 0 | 0 | 0 | 112 | A223 F237 L242 L284 L285 T286 G295 L296 | A223-L288 HydrophobicContact CB-CD2 3.89Å; F237-L288 HydrophobicContact CB-CD1 4.5Å; F237-L288 HydrophobicContact CD1-CD1 3.59Å; F237-L288 HydrophobicContact CD1-CD2 4.37Å; F237-L288 HydrophobicContact CD2-CD1 4.44Å; F237-L288 HydrophobicContact CD2-CD2 3.74Å; F237-L288 HydrophobicContact CE1-CD1 3.85Å; F237-L288 HydrophobicContact CE1-CD2 4.46Å; F237-L288 HydrophobicContact CE2-CD2 3.87Å; F237-L288 HydrophobicContact CG-CD1 3.92Å; F237-L288 HydrophobicContact CG-CD2 4.02Å; F237-L288 HydrophobicContact CZ-CD1 4.4Å; F237-L288 HydrophobicContact CZ-CD2 4.24Å; L242-L288 HydrophobicContact CD2-CD1 4.33Å; L284-L288 HydrophobicContact CD1-CD1 4.14Å; L284-L288 HydrophobicContact CD1-CG 4.28Å; L284-L288 HydrophobicContact CG-CD1 4.19Å; L284-L288 WeakPolarHBondContact O-CG 3.41Å; L284-L288 PolarHBondContact O-N 3.24Å; L285-L288 PolarHBondContact O-N 3.01Å; T286-L288 VanDerWaalsContact C-N 3.34Å; T286-L288 PolarHBondContact O-N 3.16Å; L288-G295 WeakPolarHBondContact O-CA 3.42Å; L288-L296 HydrophobicContact CB-CD1 4.25Å; L288-L296 HydrophobicContact CB-CG 4.24Å; L288-L296 HydrophobicContact CD2-CD1 4.49Å; L288-L296 HydrophobicContact CD2-CG 4.14Å; L288-L296 PolarHBondContact O-N 2.91Å |
| 289 | F | 93.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -97.3 | -2.2 | -172.5 | -68.2 | 6.5 | 0 | 0 | 0 | 113.9 | L242 L285 T286 H287 L296 V297 I312 C315 L316 L333 A337 | L242-F289 HydrophobicContact CD1-CE1 4.25Å; L242-F289 HydrophobicContact CD1-CZ 4.38Å; L242-F289 HydrophobicContact CD2-CE1 3.96Å; L242-F289 HydrophobicContact CD2-CZ 4.22Å; L285-F289 HydrophobicContact CD2-CZ 4.4Å; L285-F289 WeakPolarHBondContact O-CB 3.49Å; L285-F289 WeakPolarHBondContact O-CG 2.86Å; L285-F289 PolarHBondContact O-N 3.38Å; T286-F289 PolarHBondContact O-N 3.32Å; H287-F289 VanDerWaalsContact C-N 3.33Å; H287-F289 PolarHBondContact O-N 2.85Å; F289-L296 HydrophobicContact CE1-CD1 4.17Å; F289-V297 WeakPolarHBondContact O-CG2 3.46Å; F289-I312 HydrophobicContact CD1-CD1 4.11Å; F289-I312 HydrophobicContact CD1-CG1 3.89Å; F289-I312 HydrophobicContact CD1-CG2 4.41Å; F289-I312 HydrophobicContact CD2-CG2 3.95Å; F289-I312 HydrophobicContact CE1-CG1 4Å; F289-I312 HydrophobicContact CE2-CG2 4.09Å; F289-I312 HydrophobicContact CG-CD1 4.37Å; F289-I312 HydrophobicContact CG-CG1 4.36Å; F289-I312 HydrophobicContact CG-CG2 4.13Å; F289-I312 HydrophobicContact CZ-CG2 4.4Å; F289-C315 HydrophobicContact CE2-CB 4.3Å; F289-C315 HydrophobicContact CZ-CB 3.83Å; F289-L316 HydrophobicContact CD2-CD2 4.1Å; F289-L316 HydrophobicContact CE2-CD2 3.83Å; F289-L316 HydrophobicContact CE2-CG 4.31Å; F289-L333 HydrophobicContact CB-CD1 4.35Å; F289-L333 HydrophobicContact CD2-CD1 3.87Å; F289-L333 HydrophobicContact CD2-CD2 4.4Å; F289-L333 HydrophobicContact CD2-CG 4.18Å; F289-L333 HydrophobicContact CE2-CD2 4.39Å; F289-L333 HydrophobicContact CG-CD1 4.41Å; F289-A337 HydrophobicContact CB-CB 4.02Å; F289-A337 HydrophobicContact CD2-CB 4.19Å |
| 290 | T | 88.4 | Confident | 86.2 | Confident | 40 Ų | 40 | 37 Ų | 37 | 25% | 0.245 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -120.6 | -25.6 | 176.8 | 68 | 0 | 0 | 0 | 0 | 114.8 | T286 L336 K340 | T286-T290 HydrophobicContact CG2-CG2 4.03Å; T286-T290 WeakPolarHBondContact O-CB 3.37Å; T286-T290 VanDerWaalsContact O-CG2 3.32Å; T286-T290 WeakPolarHBondContact O-CG2 3.31Å; T286-T290 PolarHBondContact O-N 2.71Å; T286-T290 PolarHBondContact O-OG1 3.35Å; T290-L336 HydrophobicContact CG2-CB 3.92Å; T290-K340 HydrophobicContact CG2-CG 4.19Å |
| 291 | S | 85.9 | Confident | 84 | Confident | 25 Ų | 25 | 38.4 Ų | 38.4 | 18% | 0.175 | 19% | 0.191 | C | C | . | . | trans | -84.1 | 123.6 | -178 | 178.9 | 0 | 0 | 0 | 0 | 112.2 | H287 R293 S294 G295 | H287-S291 VanDerWaalsContact O-CB 3.23Å; H287-S291 WeakPolarHBondContact O-CB 3.21Å; H287-S291 PolarHBondContact O-N 2.76Å; H287-S291 VanDerWaalsContact O-N 3.14Å; S291-R293 PolarHBondContact OG-N 3.44Å; S291-S294 PolarHBondContact OG-N 2.91Å; S291-S294 PolarHBondContact OG-OG 3.29Å; S291-G295 CarbonylContact O-C 3.53Å; S291-G295 WeakPolarHBondContact O-CA 3.43Å; S291-G295 PolarHBondContact O-N 3.32Å; S291-G295 VanDerWaalsContact O-N 3.07Å; S291-G295 PolarHBondContact OG-N 3.29Å | ||
| 292 | S | 79.6 | Confident | 81.6 | Confident | 68 Ų | 68 | 39 Ų | 39 | 48% | 0.476 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -26.3 | 173.1 | 58.4 | 0 | 0 | 0 | 0 | 113.6 | K230 V297 | K230-S292 PolarHBondContact NZ-O 3.37Å; S292-V297 WeakPolarHBondContact CA-O 3.25Å |
| 293 | R | 77.6 | Confident | 78.9 | Confident | 210 Ų | 210 | 40.2 Ų | 40.2 | 79% | 0.792 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -52 | -176 | -176.8 | 178 | -178.8 | 167.8 | 1.4 | 112.4 | R233 S291 | R233-R293 PolarHBondContact NH1-O 3.12Å; S291-R293 PolarHBondContact OG-N 3.44Å |
| 294 | S | 78.2 | Confident | 76.3 | Confident | 18 Ų | 18 | 39.9 Ų | 39.9 | 13% | 0.126 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | -10.9 | -174.6 | 55.7 | 0 | 0 | 0 | 0 | 113.4 | R233 H287 S291 | R233-S294 WeakPolarHBondContact CD-O 3.4Å; R233-S294 PolarHBondContact NE-O 2.91Å; R233-S294 VanDerWaalsContact NE-O 3.09Å; H287-S294 PolarHBondContact CE1-OG 2.65Å; H287-S294 WeakPolarHBondContact NE2-CB 3.4Å; H287-S294 PolarHBondContact NE2-OG 3.42Å; S291-S294 PolarHBondContact OG-N 2.91Å; S291-S294 PolarHBondContact OG-OG 3.29Å |
| 295 | G | 85.8 | Confident | 73.5 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -92.9 | -163.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L288 S291 | L288-G295 WeakPolarHBondContact O-CA 3.42Å; S291-G295 CarbonylContact O-C 3.53Å; S291-G295 WeakPolarHBondContact O-CA 3.43Å; S291-G295 PolarHBondContact O-N 3.32Å; S291-G295 VanDerWaalsContact O-N 3.07Å; S291-G295 PolarHBondContact OG-N 3.29Å |
| 296 | L | 87.5 | Confident | 71 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -95.5 | -6.8 | 179.5 | -57.1 | 178.4 | 0 | 0 | 0 | 112.2 | R233 I234 F237 L242 L288 F289 F298 N309 I312 | R233-L296 HydrophobicContact CB-CD2 4.34Å; I234-L296 HydrophobicContact CG1-CD2 4.02Å; F237-L296 HydrophobicContact CB-CD1 3.94Å; F237-L296 HydrophobicContact CB-CD2 4.22Å; L242-L296 HydrophobicContact CD1-CD1 4.1Å; L242-L296 HydrophobicContact CD2-CD1 4.22Å; L288-L296 HydrophobicContact CB-CD1 4.25Å; L288-L296 HydrophobicContact CB-CG 4.24Å; L288-L296 HydrophobicContact CD2-CD1 4.49Å; L288-L296 HydrophobicContact CD2-CG 4.14Å; L288-L296 PolarHBondContact O-N 2.91Å; F289-L296 HydrophobicContact CE1-CD1 4.17Å; L296-F298 PolarHBondContact O-N 2.81Å; L296-N309 PolarHBondContact O-ND2 3.21Å; L296-I312 HydrophobicContact CB-CD1 4.32Å; L296-I312 HydrophobicContact CB-CG1 4.41Å |
| 297 | V | 83.2 | Confident | 68.9 | Low | 6 Ų | 6 | 52.1 Ų | 52.1 | 4% | 0.036 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 118.1 | -179 | 176.9 | 0 | 0 | 0 | 0 | 110.7 | K230 F289 S292 I312 C341 | K230-V297 WeakPolarHBondContact CE-O 3.42Å; K230-V297 PolarHBondContact NZ-O 3.44Å; F289-V297 WeakPolarHBondContact O-CG2 3.46Å; S292-V297 WeakPolarHBondContact CA-O 3.25Å; V297-I312 HydrophobicContact CG2-CD1 4.07Å; V297-C341 VanDerWaalsContact CG1-SG 3.53Å |
| 298 | F | 72.3 | Confident | 67.3 | Low | 94 Ų | 94 | 53.4 Ų | 53.4 | 41% | 0.412 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -79.9 | 151.9 | 172 | -62.1 | -85 | 0 | 0 | 0 | 110.9 | K230 I234 L296 N300 | K230-F298 HydrophobicContact CD-CD1 4.07Å; K230-F298 HydrophobicContact CD-CE1 3.93Å; K230-F298 HydrophobicContact CG-CE1 4.41Å; I234-F298 HydrophobicContact CD1-CE1 4.05Å; I234-F298 HydrophobicContact CD1-CE2 4.3Å; I234-F298 HydrophobicContact CD1-CZ 3.39Å; L296-F298 PolarHBondContact O-N 2.81Å; F298-N300 PolarHBondContact O-N 3.2Å; F298-N300 PolarHBondContact O-OD1 2.79Å |
| 299 | S | 59.3 | Low | 66.5 | Low | 59 Ų | 59 | 54 Ų | 54 | 41% | 0.413 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -59 | 122.4 | 168.2 | 35.1 | 0 | 0 | 0 | 0 | 108.1 | K301 | S299-K301 PolarHBondContact O-N 2.6Š|
| 300 | N | 53.7 | Low | 66 | Low | 31 Ų | 31 | 59.1 Ų | 59.1 | 17% | 0.166 | 30% | 0.296 | C | S | . | . | trans | -60.2 | 96.2 | -165.8 | -65 | -31 | 0 | 0 | 0 | 112.1 | F298 F302 K340 P342 T388 H392 | F298-N300 PolarHBondContact O-N 3.2Å; F298-N300 PolarHBondContact O-OD1 2.79Å; N300-F302 HydrophobicContact CB-CD2 4.32Å; N300-F302 HydrophobicContact CB-CE2 3.97Å; N300-F302 PolarHBondContact O-N 2.87Å; N300-K340 PolarHBondContact ND2-O 3.33Å; N300-K340 PolarHBondContact OD1-O 2.91Å; N300-P342 WeakPolarHBondContact ND2-CD 3.43Å; N300-P342 WeakPolarHBondContact ND2-CG 3.49Å; N300-T388 HydrophobicContact CB-CG2 4.11Å; N300-H392 PolarHBondContact O-CD2 3.42Å; N300-H392 PolarHBondContact O-NE2 2.92Å | ||
| 301 | K | 50.3 | Low | 66 | Low | 56 Ų | 56 | 59 Ų | 59 | 24% | 0.243 | 29% | 0.293 | C | S | . | . | trans | -85.4 | 100.2 | 167.9 | -61.3 | -168.7 | -171.6 | -173.5 | 0 | 107.9 | S299 D303 V306 E516 | S299-K301 PolarHBondContact O-N 2.6Å; K301-D303 PolarHBondContact O-N 3.11Å; K301-V306 HydrophobicContact CB-CG1 4.34Å; K301-V306 HydrophobicContact CB-CG2 4.43Å; K301-E516 PolarHBondContact NZ-O 2.57Å; K301-E516 IonicContact NZ-OE2 2.78Å | ||
| 302 | F | 45.7 | Very low | 66.2 | Low | 14 Ų | 14 | 57.8 Ų | 57.8 | 6% | 0.061 | 29% | 0.285 | C | S | . | . | trans | -73.8 | 75.2 | 174.6 | -72.9 | -83.9 | 0 | 0 | 0 | 110.7 | N300 P342 T388 A389 H392 F406 | N300-F302 HydrophobicContact CB-CD2 4.32Å; N300-F302 HydrophobicContact CB-CE2 3.97Å; N300-F302 PolarHBondContact O-N 2.87Å; F302-P342 HydrophobicContact CE1-CB 4.1Å; F302-P342 HydrophobicContact CE1-CG 3.93Å; F302-P342 HydrophobicContact CE2-CG 4.17Å; F302-P342 HydrophobicContact CZ-CB 3.83Å; F302-P342 HydrophobicContact CZ-CG 3.32Å; F302-T388 HydrophobicContact CD2-CG2 4.11Å; F302-T388 HydrophobicContact CE2-CG2 3.58Å; F302-A389 HydrophobicContact CD1-CB 4.3Å; F302-A389 VanDerWaalsContact CD2-CA 3.47Å; F302-A389 HydrophobicContact CD2-CB 4.08Å; F302-A389 HydrophobicContact CE1-CB 4.43Å; F302-A389 HydrophobicContact CE2-CB 4.18Å; F302-A389 HydrophobicContact CG-CB 4.1Å; F302-A389 HydrophobicContact CZ-CB 4.32Å; F302-H392 HydrophobicContact CB-CB 4.13Å; F302-H392 HydrophobicContact CD2-CB 4.38Å; F302-F406 AromaticContact CE1-CZ 3.9Å; F302-F406 HydrophobicContact CE1-CZ 3.9Å; F302-F406 HydrophobicContact CZ-CZ 4.23Å | ||
| 303 | D | 42.1 | Very low | 66.8 | Low | 38 Ų | 38 | 55.4 Ų | 55.4 | 20% | 0.203 | 27% | 0.267 | C | S | . | . | trans | -124 | 135.6 | 173 | -177 | 1.7 | 0 | 0 | 0 | 108.7 | K301 N305 V306 | K301-D303 PolarHBondContact O-N 3.11Å; D303-N305 PolarHBondContact O-N 3.37Å; D303-N305 PolarHBondContact OD1-N 3.44Å; D303-V306 HydrophobicContact CB-CB 3.98Å; D303-V306 HydrophobicContact CB-CG2 3.65Å; D303-V306 PolarHBondContact O-N 3.31Å | ||
| 304 | V | 40.8 | Very low | 67.4 | Low | 105 Ų | 105 | 49 Ų | 49 | 64% | 0.636 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -25 | 174.5 | -175 | 0 | 0 | 0 | 0 | 110.7 | V398 | V304-V398 HydrophobicContact CG2-CB 4.44Å; V304-V398 HydrophobicContact CG2-CG1 4.06Å; V304-V398 HydrophobicContact CG2-CG2 3.63Å |
| 305 | N | 38.5 | Very low | 68.1 | Low | 101 Ų | 101 | 48.3 Ų | 48.3 | 54% | 0.54 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -16.3 | -179.2 | -64 | -38.7 | 0 | 0 | 0 | 114.7 | D303 | D303-N305 PolarHBondContact O-N 3.37Å; D303-N305 PolarHBondContact OD1-N 3.44Å |
| 306 | V | 44 | Very low | 68.5 | Low | 51 Ų | 51 | 48.3 Ų | 48.3 | 31% | 0.309 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -81.1 | 125.5 | 177 | 174.6 | 0 | 0 | 0 | 0 | 107.8 | K301 D303 Y308 | K301-V306 HydrophobicContact CB-CG1 4.34Å; K301-V306 HydrophobicContact CB-CG2 4.43Å; D303-V306 HydrophobicContact CB-CB 3.98Å; D303-V306 HydrophobicContact CB-CG2 3.65Å; D303-V306 PolarHBondContact O-N 3.31Å; V306-Y308 PolarHBondContact O-N 3.27Å |
| 307 | Q | 51.2 | Low | 68.7 | Low | 132 Ų | 132 | 50.3 Ų | 50.3 | 62% | 0.617 | 25% | 0.253 | S | S | * | . | trans | -58.1 | 108.8 | 175.3 | -64.1 | 179.9 | 13.9 | 0 | 0 | 107.7 | R310 | Q307-R310 VanDerWaalsContact CD-NH1 3.25Š| ||
| 308 | Y | 62.2 | Low | 69.2 | Low | 73 Ų | 73 | 50.5 Ų | 50.5 | 29% | 0.286 | 26% | 0.255 | S | S | . | . | trans | -44.6 | 157.3 | 163.1 | 53.7 | -96.8 | 0 | 0 | 0 | 109.3 | V306 R310 L313 D343 L344 H347 | V306-Y308 PolarHBondContact O-N 3.27Å; Y308-R310 HydrophobicContact CD2-CG 3.88Å; Y308-R310 HydrophobicContact CE2-CB 4.42Å; Y308-R310 HydrophobicContact CE2-CG 3.48Å; Y308-R310 VanDerWaalsContact CE2-CG 3.48Å; Y308-R310 WeakPolarHBondContact O-CG 3.48Å; Y308-R310 PolarHBondContact O-N 2.87Å; Y308-L313 HydrophobicContact CD2-CD2 4Å; Y308-L313 HydrophobicContact CE2-CD2 3.54Å; Y308-D343 WeakPolarHBondContact CA-OD2 3.34Å; Y308-D343 VanDerWaalsContact CB-OD2 3.24Å; Y308-D343 WeakPolarHBondContact CB-OD2 3.23Å; Y308-L344 HydrophobicContact CD2-CD2 4.07Å; Y308-L344 HydrophobicContact CG-CD2 4.45Å; Y308-H347 AromaticContact CD1-CD2 3.76Å; Y308-H347 AromaticContact CD1-NE2 3.44Å; Y308-H347 WeakPolarHBondContact CD1-NE2 3.29Å; Y308-H347 AromaticContact CE1-CD2 3.96Å; Y308-H347 AromaticContact CE1-CE1 3.99Å; Y308-H347 AromaticContact CE1-NE2 3.53Å; Y308-H347 AromaticContact CG-CD2 3.96Å | ||
| 309 | N | 76.6 | Confident | 69.9 | Low | 11 Ų | 11 | 49.4 Ų | 49.4 | 6% | 0.059 | 26% | 0.263 | C | S | . | . | trans | -65.1 | 81.3 | -175.5 | -163 | -18 | 0 | 0 | 0 | 113.1 | L296 L311 I312 L313 D343 L344 | L296-N309 PolarHBondContact O-ND2 3.21Å; N309-L311 PolarHBondContact O-N 3Å; N309-L311 VanDerWaalsContact O-N 3.1Å; N309-I312 HydrophobicContact CB-CB 4.48Å; N309-I312 HydrophobicContact CB-CD1 4.45Å; N309-I312 HydrophobicContact CB-CG1 4.48Å; N309-I312 WeakPolarHBondContact ND2-CD1 3.47Å; N309-I312 PolarHBondContact O-N 3.22Å; N309-I312 VanDerWaalsContact O-N 3.13Å; N309-L313 PolarHBondContact O-N 2.93Å; N309-L313 VanDerWaalsContact O-N 3.1Å; N309-D343 PolarHBondContact N-OD2 2.82Å; N309-L344 HydrophobicContact CB-CD2 4.07Å | ||
| 310 | R | 82.6 | Confident | 71.3 | Confident | 109 Ų | 109 | 49.1 Ų | 49.1 | 41% | 0.411 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57.6 | -30.9 | -173 | -78 | 174.2 | 174 | 176.2 | -2.2 | 111.8 | Q307 Y308 Q314 | Q307-R310 VanDerWaalsContact CD-NH1 3.25Å; Y308-R310 HydrophobicContact CD2-CG 3.88Å; Y308-R310 HydrophobicContact CE2-CB 4.42Å; Y308-R310 HydrophobicContact CE2-CG 3.48Å; Y308-R310 VanDerWaalsContact CE2-CG 3.48Å; Y308-R310 WeakPolarHBondContact O-CG 3.48Å; Y308-R310 PolarHBondContact O-N 2.87Å; R310-Q314 WeakPolarHBondContact O-CB 3.26Å; R310-Q314 WeakPolarHBondContact O-CG 3.26Å; R310-Q314 PolarHBondContact O-N 3.14Å |
| 311 | L | 88 | Confident | 73.1 | Confident | 37 Ų | 37 | 47.8 Ų | 47.8 | 19% | 0.194 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.6 | -46.9 | 179.5 | -71.6 | 173.1 | 0 | 0 | 0 | 112 | I234 R239 L242 N309 C315 | I234-L311 HydrophobicContact CG2-CD1 3.67Å; R239-L311 HydrophobicContact CB-CD2 4.27Å; L242-L311 HydrophobicContact CD1-CB 4.43Å; N309-L311 PolarHBondContact O-N 3Å; N309-L311 VanDerWaalsContact O-N 3.1Å; L311-C315 WeakPolarHBondContact O-CB 3.5Å; L311-C315 PolarHBondContact O-N 3.39Å; L311-C315 VanDerWaalsContact O-N 3.08Å |
| 312 | I | 91.3 | Very high | 74.7 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.9 | -49.5 | 176.5 | -62.5 | -177.9 | 0 | 0 | 0 | 109.2 | F289 L296 V297 N309 Q314 C315 L316 A337 L344 | F289-I312 HydrophobicContact CD1-CD1 4.11Å; F289-I312 HydrophobicContact CD1-CG1 3.89Å; F289-I312 HydrophobicContact CD1-CG2 4.41Å; F289-I312 HydrophobicContact CD2-CG2 3.95Å; F289-I312 HydrophobicContact CE1-CG1 4Å; F289-I312 HydrophobicContact CE2-CG2 4.09Å; F289-I312 HydrophobicContact CG-CD1 4.37Å; F289-I312 HydrophobicContact CG-CG1 4.36Å; F289-I312 HydrophobicContact CG-CG2 4.13Å; F289-I312 HydrophobicContact CZ-CG2 4.4Å; L296-I312 HydrophobicContact CB-CD1 4.32Å; L296-I312 HydrophobicContact CB-CG1 4.41Å; V297-I312 HydrophobicContact CG2-CD1 4.07Å; N309-I312 HydrophobicContact CB-CB 4.48Å; N309-I312 HydrophobicContact CB-CD1 4.45Å; N309-I312 HydrophobicContact CB-CG1 4.48Å; N309-I312 WeakPolarHBondContact ND2-CD1 3.47Å; N309-I312 PolarHBondContact O-N 3.22Å; N309-I312 VanDerWaalsContact O-N 3.13Å; I312-Q314 PolarHBondContact O-N 2.66Å; I312-C315 WeakPolarHBondContact O-CB 3.41Å; I312-C315 PolarHBondContact O-N 2.83Å; I312-C315 VanDerWaalsContact O-N 3.09Å; I312-L316 HydrophobicContact CG2-CD1 3.85Å; I312-L316 HydrophobicContact CG2-CG 4.11Å; I312-L316 WeakPolarHBondContact O-CG 3.36Å; I312-L316 PolarHBondContact O-N 3.15Å; I312-A337 HydrophobicContact CG2-CB 4.35Å; I312-L344 HydrophobicContact CB-CD1 3.81Å; I312-L344 HydrophobicContact CG2-CD1 3.56Å |
| 313 | L | 91.3 | Very high | 76.6 | Confident | 17 Ų | 17 | 53.4 Ų | 53.4 | 9% | 0.089 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.9 | -48.5 | 179.7 | -175.7 | 69.5 | 0 | 0 | 0 | 111.8 | Y308 N309 C315 L316 T317 L344 H347 Y348 | Y308-L313 HydrophobicContact CD2-CD2 4Å; Y308-L313 HydrophobicContact CE2-CD2 3.54Å; N309-L313 PolarHBondContact O-N 2.93Å; N309-L313 VanDerWaalsContact O-N 3.1Å; L313-C315 PolarHBondContact O-N 2.81Å; L313-L316 PolarHBondContact O-N 3.26Å; L313-L316 VanDerWaalsContact O-N 3.13Å; L313-T317 HydrophobicContact CD1-CG2 3.89Å; L313-T317 HydrophobicContact CG-CG2 4.21Å; L313-T317 WeakPolarHBondContact O-CG2 3.42Å; L313-T317 PolarHBondContact O-N 2.87Å; L313-T317 PolarHBondContact O-OG1 3.45Å; L313-T317 VanDerWaalsContact O-OG1 3.1Å; L313-L344 HydrophobicContact CB-CD2 4.02Å; L313-H347 HydrophobicContact CD1-CB 4.06Å; L313-H347 HydrophobicContact CD2-CB 3.6Å; L313-Y348 HydrophobicContact CD1-CD2 4.44Å |
| 314 | Q | 90.4 | Very high | 78.8 | Confident | 75 Ų | 75 | 51.7 Ų | 51.7 | 35% | 0.35 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.2 | -29.5 | 178 | -76.9 | 172.4 | 11.1 | 0 | 0 | 113 | R310 I312 S318 | R310-Q314 WeakPolarHBondContact O-CB 3.26Å; R310-Q314 WeakPolarHBondContact O-CG 3.26Å; R310-Q314 PolarHBondContact O-N 3.14Å; I312-Q314 PolarHBondContact O-N 2.66Å; Q314-S318 WeakPolarHBondContact O-CB 3.33Å; Q314-S318 PolarHBondContact O-N 3.29Å |
| 315 | C | 93.4 | Very high | 81.2 | Confident | 4 Ų | 4 | 48.7 Ų | 48.7 | 3% | 0.027 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -73.4 | -49 | 173.2 | -173.2 | 0 | 0 | 0 | 0 | 111.2 | L242 T246 F289 L311 I312 L313 T317 S318 M321 | L242-C315 HydrophobicContact CB-CB 4.23Å; L242-C315 HydrophobicContact CD1-CB 4.28Å; T246-C315 PolarHBondContact OG1-SG 3.27Å; F289-C315 HydrophobicContact CE2-CB 4.3Å; F289-C315 HydrophobicContact CZ-CB 3.83Å; L311-C315 WeakPolarHBondContact O-CB 3.5Å; L311-C315 PolarHBondContact O-N 3.39Å; L311-C315 VanDerWaalsContact O-N 3.08Å; I312-C315 WeakPolarHBondContact O-CB 3.41Å; I312-C315 PolarHBondContact O-N 2.83Å; I312-C315 VanDerWaalsContact O-N 3.09Å; L313-C315 PolarHBondContact O-N 2.81Å; C315-T317 PolarHBondContact O-N 3.48Å; C315-S318 VanDerWaalsContact O-CB 3.26Å; C315-S318 WeakPolarHBondContact O-CB 3.47Å; C315-S318 PolarHBondContact O-N 3.28Å; C315-S318 VanDerWaalsContact O-N 3.09Å; C315-S318 PolarHBondContact O-OG 3.05Å; C315-M321 VanDerWaalsContact O-CG 3.28Å; C315-M321 WeakPolarHBondContact O-CG 3.4Å |
| 316 | L | 93.7 | Very high | 83.6 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.6 | -27.3 | -179.5 | -63.4 | -178.5 | 0 | 0 | 0 | 113 | F289 I312 L313 M321 V334 A337 Y348 | F289-L316 HydrophobicContact CD2-CD2 4.1Å; F289-L316 HydrophobicContact CE2-CD2 3.83Å; F289-L316 HydrophobicContact CE2-CG 4.31Å; I312-L316 HydrophobicContact CG2-CD1 3.85Å; I312-L316 HydrophobicContact CG2-CG 4.11Å; I312-L316 WeakPolarHBondContact O-CG 3.36Å; I312-L316 PolarHBondContact O-N 3.15Å; L313-L316 PolarHBondContact O-N 3.26Å; L313-L316 VanDerWaalsContact O-N 3.13Å; L316-M321 HydrophobicContact CD2-CE 4.29Å; L316-M321 VanDerWaalsContact O-CB 3.23Å; L316-M321 WeakPolarHBondContact O-CB 3.28Å; L316-V334 HydrophobicContact CD2-CG2 4.03Å; L316-A337 HydrophobicContact CD1-CB 3.87Å; L316-Y348 HydrophobicContact CB-CD2 3.95Å; L316-Y348 HydrophobicContact CB-CE2 3.73Å |
| 317 | T | 92.5 | Very high | 85.9 | Confident | 42 Ų | 42 | 46.4 Ų | 46.4 | 26% | 0.258 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 16.2 | 176.1 | 71.8 | 0 | 0 | 0 | 0 | 112.9 | L313 C315 Y348 H351 | L313-T317 HydrophobicContact CD1-CG2 3.89Å; L313-T317 HydrophobicContact CG-CG2 4.21Å; L313-T317 WeakPolarHBondContact O-CG2 3.42Å; L313-T317 PolarHBondContact O-N 2.87Å; L313-T317 PolarHBondContact O-OG1 3.45Å; L313-T317 VanDerWaalsContact O-OG1 3.1Å; C315-T317 PolarHBondContact O-N 3.48Å; T317-Y348 HydrophobicContact CG2-CD2 4.08Å; T317-Y348 HydrophobicContact CG2-CE2 4.41Å; T317-H351 HydrophobicContact CG2-CB 3.82Å |
| 318 | S | 92.4 | Very high | 87.9 | Confident | 10 Ų | 10 | 45 Ų | 45 | 7% | 0.07 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -76.9 | 158.4 | 176.6 | 67.5 | 0 | 0 | 0 | 0 | 111.2 | Q314 C315 Q320 M321 E322 | Q314-S318 WeakPolarHBondContact O-CB 3.33Å; Q314-S318 PolarHBondContact O-N 3.29Å; C315-S318 VanDerWaalsContact O-CB 3.26Å; C315-S318 WeakPolarHBondContact O-CB 3.47Å; C315-S318 PolarHBondContact O-N 3.28Å; C315-S318 VanDerWaalsContact O-N 3.09Å; C315-S318 PolarHBondContact O-OG 3.05Å; S318-Q320 PolarHBondContact O-N 3.23Å; S318-Q320 VanDerWaalsContact O-N 3.14Å; S318-Q320 PolarHBondContact OG-OE1 3.43Å; S318-M321 CarbonylContact O-C 3.43Å; S318-M321 WeakPolarHBondContact O-CA 3.42Å; S318-M321 PolarHBondContact O-N 2.94Å; S318-E322 PolarHBondContact O-N 3.2Å |
| 319 | A | 88.6 | Confident | 89.4 | Confident | 71 Ų | 71 | 43.5 Ų | 43.5 | 59% | 0.587 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -57 | -29.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | M321 E322 | A319-M321 VanDerWaalsContact C-N 3.28Å; A319-M321 PolarHBondContact O-N 3Å; A319-E322 WeakPolarHBondContact O-CB 3.46Å; A319-E322 PolarHBondContact O-N 3.05Å |
| 320 | Q | 87.9 | Confident | 90.3 | Very high | 53 Ų | 53 | 44 Ų | 44 | 25% | 0.248 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -70.7 | -25.2 | 177 | -62.2 | 77.4 | 14.5 | 0 | 0 | 112.8 | T246 S318 R330 | T246-Q320 HydrophobicContact CG2-CB 3.53Å; S318-Q320 PolarHBondContact O-N 3.23Å; S318-Q320 VanDerWaalsContact O-N 3.14Å; S318-Q320 PolarHBondContact OG-OE1 3.43Å; Q320-R330 PolarHBondContact O-NH1 2.74Å |
| 321 | M | 91.3 | Very high | 90.9 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.015 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -95.3 | 6.1 | 173.1 | -68.7 | -56.3 | -78.7 | 0 | 0 | 113 | T246 C315 L316 S318 A319 D323 A324 R330 L333 V334 | T246-M321 HydrophobicContact CG2-CG 3.49Å; T246-M321 VanDerWaalsContact CG2-CG 3.49Å; T246-M321 HydrophobicContact CG2-SD 3.33Å; T246-M321 WeakPolarHBondContact CG2-SD 3.35Å; C315-M321 VanDerWaalsContact O-CG 3.28Å; C315-M321 WeakPolarHBondContact O-CG 3.4Å; L316-M321 HydrophobicContact CD2-CE 4.29Å; L316-M321 VanDerWaalsContact O-CB 3.23Å; L316-M321 WeakPolarHBondContact O-CB 3.28Å; S318-M321 CarbonylContact O-C 3.43Å; S318-M321 WeakPolarHBondContact O-CA 3.42Å; S318-M321 PolarHBondContact O-N 2.94Å; A319-M321 VanDerWaalsContact C-N 3.28Å; A319-M321 PolarHBondContact O-N 3Å; M321-D323 PolarHBondContact O-N 3.49Å; M321-A324 HydrophobicContact CE-CB 4.31Å; M321-A324 PolarHBondContact O-N 3.45Å; M321-R330 HydrophobicContact CE-CB 3.85Å; M321-R330 HydrophobicContact CE-CG 4.18Å; M321-R330 HydrophobicContact SD-CB 4.34Å; M321-R330 HydrophobicContact SD-CG 4.04Å; M321-L333 HydrophobicContact CE-CD2 4.19Å; M321-V334 HydrophobicContact CE-CG2 3.82Å |
| 322 | E | 85.1 | Confident | 91.3 | Very high | 121 Ų | 121 | 42.3 Ų | 42.3 | 57% | 0.565 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 137.4 | 173.8 | -166 | 166.7 | -166.6 | 0 | 0 | 109.4 | S318 A319 A324 R330 | S318-E322 PolarHBondContact O-N 3.2Å; A319-E322 WeakPolarHBondContact O-CB 3.46Å; A319-E322 PolarHBondContact O-N 3.05Å; E322-A324 VanDerWaalsContact C-N 3.3Å; E322-A324 PolarHBondContact O-N 3.32Å; E322-R330 PolarHBondContact O-NH1 2.91Å |
| 323 | D | 84.4 | Confident | 91.5 | Very high | 68 Ų | 68 | 42.4 Ų | 42.4 | 36% | 0.364 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 39.9 | -175 | -56.2 | -43.9 | 0 | 0 | 0 | 114.9 | M321 Y325 T326 R330 | M321-D323 PolarHBondContact O-N 3.49Å; D323-Y325 VanDerWaalsContact CA-CE1 3.49Å; D323-Y325 HydrophobicContact CB-CD1 4.46Å; D323-Y325 HydrophobicContact CB-CE1 3.82Å; D323-Y325 PolarHBondContact O-N 2.81Å; D323-Y325 WeakPolarHBondContact OD1-CE1 3.5Å; D323-Y325 VanDerWaalsContact OD1-CZ 3.22Å; D323-Y325 PolarHBondContact OD1-OH 2.76Å; D323-T326 HydrophobicContact CB-CG2 4.07Å; D323-T326 WeakPolarHBondContact O-CB 3.41Å; D323-T326 PolarHBondContact O-N 2.95Å; D323-T326 PolarHBondContact O-OG1 2.94Å; D323-R330 PolarHBondContact O-NH2 3.38Å |
| 324 | A | 89.1 | Confident | 91.7 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 2% | 0.017 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -49 | -30.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | M321 E322 T326 D327 R330 T331 V334 | M321-A324 HydrophobicContact CE-CB 4.31Å; M321-A324 PolarHBondContact O-N 3.45Å; E322-A324 VanDerWaalsContact C-N 3.3Å; E322-A324 PolarHBondContact O-N 3.32Å; A324-T326 PolarHBondContact O-N 3.48Å; A324-T326 VanDerWaalsContact O-N 3.15Å; A324-D327 PolarHBondContact O-N 2.99Å; A324-D327 VanDerWaalsContact O-N 3.09Å; A324-R330 HydrophobicContact CB-CB 3.94Å; A324-T331 PolarHBondContact O-N 3.29Å; A324-T331 PolarHBondContact O-OG1 3.45Å; A324-V334 HydrophobicContact CB-CG2 4.05Å |
| 325 | Y | 89.7 | Confident | 91.9 | Very high | 42 Ų | 42 | 38.5 Ų | 38.5 | 17% | 0.165 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -62.9 | -13.9 | 177.3 | 59.2 | -92.6 | 0 | 0 | 0 | 115.1 | D323 T331 C366 L367 F370 | D323-Y325 VanDerWaalsContact CA-CE1 3.49Å; D323-Y325 HydrophobicContact CB-CD1 4.46Å; D323-Y325 HydrophobicContact CB-CE1 3.82Å; D323-Y325 PolarHBondContact O-N 2.81Å; D323-Y325 WeakPolarHBondContact OD1-CE1 3.5Å; D323-Y325 VanDerWaalsContact OD1-CZ 3.22Å; D323-Y325 PolarHBondContact OD1-OH 2.76Å; Y325-T331 WeakPolarHBondContact CA-OG1 3.39Å; Y325-C366 HydrophobicContact CD2-CB 3.8Å; Y325-C366 HydrophobicContact CE2-CB 4.11Å; Y325-L367 HydrophobicContact CD1-CD1 3.77Å; Y325-L367 HydrophobicContact CE1-CB 4.3Å; Y325-L367 HydrophobicContact CE1-CD1 3.76Å; Y325-L367 HydrophobicContact CE2-CB 4.36Å; Y325-F370 VanDerWaalsContact CB-CB 3.48Å; Y325-F370 HydrophobicContact CD1-CD1 4.32Å; Y325-F370 HydrophobicContact CG-CB 4.42Å; Y325-F370 HydrophobicContact CG-CD1 4.46Å |
| 326 | T | 89.6 | Confident | 91.9 | Very high | 90 Ų | 90 | 41 Ų | 41 | 55% | 0.552 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -86 | -14.2 | 176 | 61.1 | 0 | 0 | 0 | 0 | 113.1 | D323 A324 R330 | D323-T326 HydrophobicContact CB-CG2 4.07Å; D323-T326 WeakPolarHBondContact O-CB 3.41Å; D323-T326 PolarHBondContact O-N 2.95Å; D323-T326 PolarHBondContact O-OG1 2.94Å; A324-T326 PolarHBondContact O-N 3.48Å; A324-T326 VanDerWaalsContact O-N 3.15Å; T326-R330 PolarHBondContact OG1-NH2 3.3Å; T326-R330 VanDerWaalsContact OG1-NH2 3.12Å |
| 327 | D | 91.9 | Very high | 91.8 | Very high | 14 Ų | 14 | 41 Ų | 41 | 8% | 0.075 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -123.3 | 119.1 | -176.4 | 179.7 | -13.6 | 0 | 0 | 0 | 110 | R278 A324 L329 R330 T331 | R278-D327 IonicContact CZ-OD1 3.57Å; R278-D327 IonicContact CZ-OD2 2.66Å; R278-D327 IonicContact NH1-OD2 2.65Å; R278-D327 PolarHBondContact NH1-OD2 2.98Å; R278-D327 IonicContact NH2-OD1 2.75Å; R278-D327 PolarHBondContact NH2-OD1 3.31Å; R278-D327 IonicContact NH2-OD2 3.32Å; R278-D327 PolarHBondContact NH2-OD2 3.4Å; A324-D327 PolarHBondContact O-N 2.99Å; A324-D327 VanDerWaalsContact O-N 3.09Å; D327-L329 VanDerWaalsContact C-N 3.3Å; D327-L329 PolarHBondContact O-N 3.12Å; D327-L329 PolarHBondContact OD1-N 2.76Å; D327-R330 HydrophobicContact CB-CB 4.03Å; D327-R330 HydrophobicContact CB-CG 4.08Å; D327-R330 PolarHBondContact O-N 3.07Å; D327-R330 IonicContact OD2-NE 3.82Å; D327-R330 PolarHBondContact OD2-NE 3.18Å; D327-R330 VanDerWaalsContact OD2-NE 3.14Å; D327-T331 WeakPolarHBondContact O-CB 3.3Å; D327-T331 PolarHBondContact O-N 3.37Å; D327-T331 PolarHBondContact O-OG1 3.36Å |
| 328 | P | 93.3 | Very high | 91.7 | Very high | 103 Ų | 103 | 39 Ų | 39 | 67% | 0.669 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -53 | -41.7 | -178.9 | -27.5 | 34.6 | 0 | 0 | 0 | 114.2 | T331 E332 | P328-T331 WeakPolarHBondContact O-CB 3.26Å; P328-T331 PolarHBondContact O-N 2.92Å; P328-E332 WeakPolarHBondContact O-CB 3.18Å; P328-E332 PolarHBondContact O-N 3.42Å |
| 329 | L | 95.2 | Very high | 91.5 | Very high | 41 Ų | 41 | 39 Ų | 39 | 22% | 0.215 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -72.9 | -37.1 | -177.4 | -64.5 | -178.5 | 0 | 0 | 0 | 111.9 | Y249 R278 H282 D327 L333 | Y249-L329 HydrophobicContact CD1-CB 4.5Å; Y249-L329 HydrophobicContact CE1-CB 3.77Å; Y249-L329 HydrophobicContact CE1-CD1 4.22Å; R278-L329 HydrophobicContact CB-CD1 4.05Å; H282-L329 HydrophobicContact CB-CD1 4.36Å; H282-L329 PolarHBondContact CE1-O 3.48Å; H282-L329 PolarHBondContact ND1-O 2.94Å; D327-L329 VanDerWaalsContact C-N 3.3Å; D327-L329 PolarHBondContact O-N 3.12Å; D327-L329 PolarHBondContact OD1-N 2.76Å; L329-L333 WeakPolarHBondContact O-CB 3.27Å; L329-L333 PolarHBondContact O-N 3.2Å |
| 330 | R | 95.3 | Very high | 91.4 | Very high | 21 Ų | 21 | 40 Ų | 40 | 8% | 0.079 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.2 | -39.9 | 176.2 | -66.2 | -171.3 | -72.1 | 146.6 | 11.8 | 110.7 | Y249 Q320 M321 E322 D323 A324 T326 D327 L333 V334 | Y249-R330 HydrophobicContact CD1-CG 4.23Å; Y249-R330 HydrophobicContact CD2-CG 3.87Å; Y249-R330 HydrophobicContact CE1-CG 4.41Å; Y249-R330 HydrophobicContact CE2-CG 4.06Å; Y249-R330 HydrophobicContact CG-CG 3.97Å; Q320-R330 PolarHBondContact O-NH1 2.74Å; M321-R330 HydrophobicContact CE-CB 3.85Å; M321-R330 HydrophobicContact CE-CG 4.18Å; M321-R330 HydrophobicContact SD-CB 4.34Å; M321-R330 HydrophobicContact SD-CG 4.04Å; E322-R330 PolarHBondContact O-NH1 2.91Å; D323-R330 PolarHBondContact O-NH2 3.38Å; A324-R330 HydrophobicContact CB-CB 3.94Å; T326-R330 PolarHBondContact OG1-NH2 3.3Å; T326-R330 VanDerWaalsContact OG1-NH2 3.12Å; D327-R330 HydrophobicContact CB-CB 4.03Å; D327-R330 HydrophobicContact CB-CG 4.08Å; D327-R330 PolarHBondContact O-N 3.07Å; D327-R330 IonicContact OD2-NE 3.82Å; D327-R330 PolarHBondContact OD2-NE 3.18Å; D327-R330 VanDerWaalsContact OD2-NE 3.14Å; R330-L333 PolarHBondContact O-N 3.35Å; R330-V334 WeakPolarHBondContact O-CG2 3.38Å; R330-V334 PolarHBondContact O-N 3.45Å; R330-V334 VanDerWaalsContact O-N 3.08Å |
| 331 | T | 95 | Very high | 91.2 | Very high | 20 Ų | 20 | 37.5 Ų | 37.5 | 12% | 0.123 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.1 | -53 | 172.3 | -65.4 | 0 | 0 | 0 | 0 | 110.7 | A324 Y325 D327 P328 L333 V334 V335 F370 | A324-T331 PolarHBondContact O-N 3.29Å; A324-T331 PolarHBondContact O-OG1 3.45Å; Y325-T331 WeakPolarHBondContact CA-OG1 3.39Å; D327-T331 WeakPolarHBondContact O-CB 3.3Å; D327-T331 PolarHBondContact O-N 3.37Å; D327-T331 PolarHBondContact O-OG1 3.36Å; P328-T331 WeakPolarHBondContact O-CB 3.26Å; P328-T331 PolarHBondContact O-N 2.92Å; T331-L333 PolarHBondContact O-N 3.23Å; T331-V334 PolarHBondContact O-N 3.07Å; T331-V335 VanDerWaalsContact O-CG2 3.25Å; T331-V335 WeakPolarHBondContact O-CG2 3.25Å; T331-V335 PolarHBondContact O-N 3.08Å; T331-F370 HydrophobicContact CG2-CD2 3.85Å; T331-F370 HydrophobicContact CG2-CE2 3.72Å |
| 332 | E | 96.1 | Very high | 90.7 | Very high | 91 Ų | 91 | 37.4 Ų | 37.4 | 43% | 0.425 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59.2 | -45.8 | 179 | -179.7 | 174.9 | -171.1 | 0 | 0 | 111.8 | H282 P328 V334 V335 L336 | H282-E332 IonicContact NE2-OE2 3.54Å; P328-E332 WeakPolarHBondContact O-CB 3.18Å; P328-E332 PolarHBondContact O-N 3.42Å; E332-V334 PolarHBondContact O-N 2.9Å; E332-V335 PolarHBondContact O-N 3.49Å; E332-L336 HydrophobicContact CG-CD1 3.75Å; E332-L336 HydrophobicContact CG-CG 4.13Å; E332-L336 WeakPolarHBondContact O-CB 3.43Å; E332-L336 WeakPolarHBondContact O-CG 3.46Å; E332-L336 PolarHBondContact O-N 3.42Å |
| 333 | L | 96 | Very high | 90.5 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59 | -45.9 | 179.6 | 179.5 | 64.7 | 0 | 0 | 0 | 112.2 | Y249 L285 F289 M321 L329 R330 T331 A337 | Y249-L333 HydrophobicContact CE2-CD2 4.26Å; L285-L333 HydrophobicContact CB-CD1 3.92Å; L285-L333 HydrophobicContact CB-CD2 3.88Å; L285-L333 HydrophobicContact CD1-CD2 3.87Å; L285-L333 HydrophobicContact CG-CD2 4.49Å; F289-L333 HydrophobicContact CB-CD1 4.35Å; F289-L333 HydrophobicContact CD2-CD1 3.87Å; F289-L333 HydrophobicContact CD2-CD2 4.4Å; F289-L333 HydrophobicContact CD2-CG 4.18Å; F289-L333 HydrophobicContact CE2-CD2 4.39Å; F289-L333 HydrophobicContact CG-CD1 4.41Å; M321-L333 HydrophobicContact CE-CD2 4.19Å; L329-L333 WeakPolarHBondContact O-CB 3.27Å; L329-L333 PolarHBondContact O-N 3.2Å; R330-L333 PolarHBondContact O-N 3.35Å; T331-L333 PolarHBondContact O-N 3.23Å; L333-A337 VanDerWaalsContact O-CB 3.25Å; L333-A337 WeakPolarHBondContact O-CB 3.45Å; L333-A337 PolarHBondContact O-N 3.24Å |
| 334 | V | 95.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.8 | -50 | 177.1 | 170.8 | 0 | 0 | 0 | 0 | 109.9 | L316 M321 A324 R330 T331 E332 L336 A337 L338 Y348 F370 | L316-V334 HydrophobicContact CD2-CG2 4.03Å; M321-V334 HydrophobicContact CE-CG2 3.82Å; A324-V334 HydrophobicContact CB-CG2 4.05Å; R330-V334 WeakPolarHBondContact O-CG2 3.38Å; R330-V334 PolarHBondContact O-N 3.45Å; R330-V334 VanDerWaalsContact O-N 3.08Å; T331-V334 PolarHBondContact O-N 3.07Å; E332-V334 PolarHBondContact O-N 2.9Å; V334-L336 PolarHBondContact O-N 3.09Å; V334-A337 PolarHBondContact O-N 3.49Å; V334-L338 HydrophobicContact CG1-CD1 3.88Å; V334-L338 HydrophobicContact CG1-CG 4.29Å; V334-L338 VanDerWaalsContact O-CG 3.3Å; V334-L338 WeakPolarHBondContact O-CG 3.18Å; V334-L338 PolarHBondContact O-N 3.04Å; V334-Y348 HydrophobicContact CG1-CD1 4.07Å; V334-Y348 HydrophobicContact CG1-CE1 3.37Å; V334-Y348 HydrophobicContact CG1-CE2 4.1Å; V334-Y348 HydrophobicContact CG2-CE2 4.43Å; V334-Y348 WeakPolarHBondContact CG2-OH 3.43Å; V334-F370 HydrophobicContact CB-CZ 4.09Å; V334-F370 HydrophobicContact CG1-CZ 3.81Å; V334-F370 HydrophobicContact CG2-CZ 4.45Å |
| 335 | V | 94.3 | Very high | 90.5 | Very high | 10 Ų | 10 | 30 Ų | 30 | 6% | 0.061 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.8 | -47.2 | -176.3 | 170.6 | 0 | 0 | 0 | 0 | 111 | T331 E332 A337 L338 C339 F370 I374 S377 | T331-V335 VanDerWaalsContact O-CG2 3.25Å; T331-V335 WeakPolarHBondContact O-CG2 3.25Å; T331-V335 PolarHBondContact O-N 3.08Å; E332-V335 PolarHBondContact O-N 3.49Å; V335-A337 PolarHBondContact O-N 3.39Å; V335-L338 PolarHBondContact O-N 2.95Å; V335-C339 WeakPolarHBondContact O-CB 3.39Å; V335-C339 PolarHBondContact O-N 3.07Å; V335-C339 PolarHBondContact O-SG 3.29Å; V335-F370 HydrophobicContact CG2-CE2 4.22Å; V335-I374 HydrophobicContact CG2-CG1 4.12Å; V335-S377 VanDerWaalsContact CG1-OG 3.27Å; V335-S377 WeakPolarHBondContact CG1-OG 3.31Å |
| 336 | L | 92.9 | Very high | 90.3 | Very high | 57 Ų | 57 | 28.9 Ų | 28.9 | 30% | 0.298 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -62.7 | -42 | 178.2 | -71.3 | 178.5 | 0 | 0 | 0 | 112 | T286 T290 E332 V334 C339 K340 | T286-L336 HydrophobicContact CG2-CD1 3.8Å; T290-L336 HydrophobicContact CG2-CB 3.92Å; E332-L336 HydrophobicContact CG-CD1 3.75Å; E332-L336 HydrophobicContact CG-CG 4.13Å; E332-L336 WeakPolarHBondContact O-CB 3.43Å; E332-L336 WeakPolarHBondContact O-CG 3.46Å; E332-L336 PolarHBondContact O-N 3.42Å; V334-L336 PolarHBondContact O-N 3.09Å; L336-C339 PolarHBondContact O-N 3.2Å; L336-K340 PolarHBondContact O-N 3.36Å |
| 337 | A | 92 | Very high | 90.3 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63 | -45.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F289 I312 L316 L333 V334 V335 C339 K340 C341 | F289-A337 HydrophobicContact CB-CB 4.02Å; F289-A337 HydrophobicContact CD2-CB 4.19Å; I312-A337 HydrophobicContact CG2-CB 4.35Å; L316-A337 HydrophobicContact CD1-CB 3.87Å; L333-A337 VanDerWaalsContact O-CB 3.25Å; L333-A337 WeakPolarHBondContact O-CB 3.45Å; L333-A337 PolarHBondContact O-N 3.24Å; V334-A337 PolarHBondContact O-N 3.49Å; V335-A337 PolarHBondContact O-N 3.39Å; A337-C339 VanDerWaalsContact C-N 3.33Å; A337-C339 PolarHBondContact O-N 3.28Å; A337-K340 PolarHBondContact O-N 3.08Å; A337-K340 VanDerWaalsContact O-N 3.15Å; A337-C341 WeakPolarHBondContact O-CB 3.5Å; A337-C341 PolarHBondContact O-N 3.27Å |
| 338 | L | 91 | Very high | 90.3 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.4 | -34.7 | 176.9 | -66.3 | -179.6 | 0 | 0 | 0 | 112.5 | V334 V335 K340 C341 L344 F345 Y348 I374 I378 | V334-L338 HydrophobicContact CG1-CD1 3.88Å; V334-L338 HydrophobicContact CG1-CG 4.29Å; V334-L338 VanDerWaalsContact O-CG 3.3Å; V334-L338 WeakPolarHBondContact O-CG 3.18Å; V334-L338 PolarHBondContact O-N 3.04Å; V335-L338 PolarHBondContact O-N 2.95Å; L338-K340 PolarHBondContact O-N 2.97Å; L338-C341 CarbonylContact O-C 3.54Å; L338-L344 HydrophobicContact CD2-CB 4.04Å; L338-F345 HydrophobicContact CB-CD2 4.49Å; L338-F345 HydrophobicContact CD1-CD2 4.24Å; L338-Y348 HydrophobicContact CD1-CD1 3.73Å; L338-Y348 HydrophobicContact CD1-CE1 4.34Å; L338-Y348 HydrophobicContact CD1-CG 4.19Å; L338-Y348 HydrophobicContact CD2-CG 4.26Å; L338-I374 HydrophobicContact CD1-CD1 4.38Å; L338-I374 HydrophobicContact CD1-CG2 4.11Å; L338-I378 HydrophobicContact CB-CD1 4.43Å |
| 339 | C | 88.8 | Confident | 90.3 | Very high | 9 Ų | 9 | 22.5 Ų | 22.5 | 6% | 0.061 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -68.4 | -20.2 | 175.3 | -68.5 | 0 | 0 | 0 | 0 | 113.2 | V335 L336 A337 Y381 F385 | V335-C339 WeakPolarHBondContact O-CB 3.39Å; V335-C339 PolarHBondContact O-N 3.07Å; V335-C339 PolarHBondContact O-SG 3.29Å; L336-C339 PolarHBondContact O-N 3.2Å; A337-C339 VanDerWaalsContact C-N 3.33Å; A337-C339 PolarHBondContact O-N 3.28Å; C339-Y381 HydrophobicContact CB-CD2 4.11Å; C339-Y381 HydrophobicContact CB-CE2 3.93Å; C339-F385 WeakPolarHBondContact O-CE1 3.36Å; C339-F385 VanDerWaalsContact O-CZ 3.23Å; C339-F385 WeakPolarHBondContact O-CZ 3.32Å |
| 340 | K | 85.3 | Confident | 90.1 | Very high | 92 Ų | 92 | 21.9 Ų | 21.9 | 40% | 0.4 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -100.8 | -30.4 | 177.2 | -66.8 | -62.5 | -176.6 | -173.5 | 0 | 113.2 | T290 N300 L336 A337 L338 P342 | T290-K340 HydrophobicContact CG2-CG 4.19Å; N300-K340 PolarHBondContact ND2-O 3.33Å; N300-K340 PolarHBondContact OD1-O 2.91Å; L336-K340 PolarHBondContact O-N 3.36Å; A337-K340 PolarHBondContact O-N 3.08Å; A337-K340 VanDerWaalsContact O-N 3.15Å; L338-K340 PolarHBondContact O-N 2.97Å; K340-P342 VanDerWaalsContact C-CD 3.47Å; K340-P342 VanDerWaalsContact O-CD 3.25Å; K340-P342 WeakPolarHBondContact O-CD 3.43Å |
| 341 | C | 84.1 | Confident | 90 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.007 | 12% | 0.121 | C | C | . | . | trans | -116.7 | 77.1 | 178.8 | -60.7 | 0 | 0 | 0 | 0 | 110.9 | V297 A337 L338 D343 L344 | V297-C341 VanDerWaalsContact CG1-SG 3.53Å; A337-C341 WeakPolarHBondContact O-CB 3.5Å; A337-C341 PolarHBondContact O-N 3.27Å; L338-C341 CarbonylContact O-C 3.54Å; C341-D343 VanDerWaalsContact C-OD1 3.25Å; C341-D343 WeakPolarHBondContact CA-OD1 3.03Å; C341-D343 WeakPolarHBondContact CB-OD1 3.27Å; C341-D343 PolarHBondContact O-N 3.31Å; C341-L344 HydrophobicContact CB-CB 4.4Å; C341-L344 HydrophobicContact CB-CD1 3.48Å; C341-L344 VanDerWaalsContact CB-CD1 3.48Å; C341-L344 HydrophobicContact CB-CG 3.68Å; C341-L344 WeakPolarHBondContact O-CB 3.08Å; C341-L344 PolarHBondContact O-N 3.33Å | ||
| 342 | P | 81.4 | Confident | 89.8 | Confident | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -61.5 | -24.2 | -179.5 | 24.8 | -34.9 | 0 | 0 | 0 | 113.5 | N300 F302 K340 L344 F345 F385 F406 | N300-P342 WeakPolarHBondContact ND2-CD 3.43Å; N300-P342 WeakPolarHBondContact ND2-CG 3.49Å; F302-P342 HydrophobicContact CE1-CB 4.1Å; F302-P342 HydrophobicContact CE1-CG 3.93Å; F302-P342 HydrophobicContact CE2-CG 4.17Å; F302-P342 HydrophobicContact CZ-CB 3.83Å; F302-P342 HydrophobicContact CZ-CG 3.32Å; K340-P342 VanDerWaalsContact C-CD 3.47Å; K340-P342 VanDerWaalsContact O-CD 3.25Å; K340-P342 WeakPolarHBondContact O-CD 3.43Å; P342-L344 PolarHBondContact O-N 3.13Å; P342-F345 WeakPolarHBondContact O-CB 2.97Å; P342-F345 PolarHBondContact O-N 3.45Å; P342-F385 HydrophobicContact CB-CD1 4Å; P342-F385 HydrophobicContact CB-CD2 3.9Å; P342-F385 HydrophobicContact CB-CE1 4.04Å; P342-F385 HydrophobicContact CB-CE2 3.93Å; P342-F385 HydrophobicContact CB-CG 3.93Å; P342-F385 HydrophobicContact CB-CZ 4Å; P342-F385 HydrophobicContact CG-CD1 3.99Å; P342-F385 HydrophobicContact CG-CE1 4.04Å; P342-F385 HydrophobicContact CG-CG 4.36Å; P342-F385 HydrophobicContact CG-CZ 4.44Å; P342-F406 HydrophobicContact CB-CE1 3.62Å; P342-F406 HydrophobicContact CB-CZ 3.71Å |
| 343 | D | 79 | Confident | 89.7 | Confident | 37 Ų | 37 | 20.1 Ų | 20.1 | 20% | 0.198 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -63.4 | -28.2 | 173.8 | 62.6 | -47.5 | 0 | 0 | 0 | 113 | Y308 N309 C341 F345 | Y308-D343 WeakPolarHBondContact CA-OD2 3.34Å; Y308-D343 VanDerWaalsContact CB-OD2 3.24Å; Y308-D343 WeakPolarHBondContact CB-OD2 3.23Å; N309-D343 PolarHBondContact N-OD2 2.82Å; C341-D343 VanDerWaalsContact C-OD1 3.25Å; C341-D343 WeakPolarHBondContact CA-OD1 3.03Å; C341-D343 WeakPolarHBondContact CB-OD1 3.27Å; C341-D343 PolarHBondContact O-N 3.31Å; D343-F345 VanDerWaalsContact C-N 3.31Å |
| 344 | L | 87.2 | Confident | 89.4 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -78.9 | -17.6 | 177.9 | -52.8 | 179.2 | 0 | 0 | 0 | 112.9 | Y308 N309 I312 L313 L338 C341 P342 H347 Y348 | Y308-L344 HydrophobicContact CD2-CD2 4.07Å; Y308-L344 HydrophobicContact CG-CD2 4.45Å; N309-L344 HydrophobicContact CB-CD2 4.07Å; I312-L344 HydrophobicContact CB-CD1 3.81Å; I312-L344 HydrophobicContact CG2-CD1 3.56Å; L313-L344 HydrophobicContact CB-CD2 4.02Å; L338-L344 HydrophobicContact CD2-CB 4.04Å; C341-L344 HydrophobicContact CB-CB 4.4Å; C341-L344 HydrophobicContact CB-CD1 3.48Å; C341-L344 VanDerWaalsContact CB-CD1 3.48Å; C341-L344 HydrophobicContact CB-CG 3.68Å; C341-L344 WeakPolarHBondContact O-CB 3.08Å; C341-L344 PolarHBondContact O-N 3.33Å; P342-L344 PolarHBondContact O-N 3.13Å; L344-H347 PolarHBondContact O-N 3.35Å; L344-Y348 PolarHBondContact O-N 3.43Å |
| 345 | F | 86.7 | Confident | 89.2 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -52.9 | -58 | -173.1 | -171.7 | -103.7 | 0 | 0 | 0 | 114.9 | L338 P342 D343 H347 Y348 L349 I374 Y375 I378 N405 F406 | L338-F345 HydrophobicContact CB-CD2 4.49Å; L338-F345 HydrophobicContact CD1-CD2 4.24Å; P342-F345 WeakPolarHBondContact O-CB 2.97Å; P342-F345 PolarHBondContact O-N 3.45Å; D343-F345 VanDerWaalsContact C-N 3.31Å; F345-H347 VanDerWaalsContact C-N 3.26Å; F345-H347 PolarHBondContact O-N 3.47Å; F345-Y348 PolarHBondContact O-N 3.29Å; F345-L349 HydrophobicContact CD1-CD1 4.05Å; F345-L349 HydrophobicContact CE1-CD1 3.34Å; F345-L349 HydrophobicContact CE1-CG 4.2Å; F345-L349 HydrophobicContact CE2-CD1 4.17Å; F345-L349 HydrophobicContact CE2-CG 4.31Å; F345-L349 HydrophobicContact CZ-CD1 3.45Å; F345-L349 VanDerWaalsContact CZ-CD1 3.45Å; F345-L349 HydrophobicContact CZ-CD2 4.48Å; F345-L349 HydrophobicContact CZ-CG 4.07Å; F345-L349 PolarHBondContact O-N 3.17Å; F345-L349 VanDerWaalsContact O-N 3.11Å; F345-I374 HydrophobicContact CD2-CG2 4.39Å; F345-I374 HydrophobicContact CE2-CG2 3.41Å; F345-I374 VanDerWaalsContact CE2-CG2 3.41Å; F345-I374 HydrophobicContact CZ-CG2 4.11Å; F345-Y375 AromaticContact CE1-CE1 3.83Å; F345-Y375 HydrophobicContact CE1-CE1 3.83Å; F345-Y375 AromaticContact CZ-CD1 3.89Å; F345-Y375 HydrophobicContact CZ-CD1 3.89Å; F345-Y375 AromaticContact CZ-CE1 3.54Å; F345-Y375 HydrophobicContact CZ-CE1 3.54Å; F345-I378 HydrophobicContact CD2-CD1 3.18Å; F345-I378 HydrophobicContact CE2-CD1 2.99Å; F345-I378 HydrophobicContact CE2-CG1 4.47Å; F345-I378 HydrophobicContact CG-CD1 4.17Å; F345-I378 HydrophobicContact CZ-CD1 3.84Å; F345-N405 VanDerWaalsContact CD1-O 3.23Å; F345-N405 WeakPolarHBondContact CD1-O 3.35Å; F345-N405 WeakPolarHBondContact CE1-O 3.41Å; F345-F406 HydrophobicContact CB-CE1 4.42Å; F345-F406 HydrophobicContact CD1-CD1 4.15Å; F345-F406 HydrophobicContact CG-CD1 4.43Å |
| 346 | P | 86.7 | Confident | 89.1 | Confident | 17 Ų | 17 | 26 Ų | 26 | 11% | 0.11 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.5 | -35.9 | -178.2 | 25.2 | -35.1 | 0 | 0 | 0 | 112.1 | D350 N405 | P346-D350 WeakPolarHBondContact O-CB 3.47Å; P346-D350 PolarHBondContact O-N 2.83Å; P346-N405 HydrophobicContact CB-CB 4.36Å |
| 347 | H | 89.1 | Confident | 89.1 | Confident | 69 Ų | 69 | 28.3 Ų | 28.3 | 32% | 0.319 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -71.6 | -36.1 | -178.3 | -62.6 | -56.8 | 0 | 0 | 0 | 112.9 | Y308 L313 L344 F345 H351 | Y308-H347 AromaticContact CD1-CD2 3.76Å; Y308-H347 AromaticContact CD1-NE2 3.44Å; Y308-H347 WeakPolarHBondContact CD1-NE2 3.29Å; Y308-H347 AromaticContact CE1-CD2 3.96Å; Y308-H347 AromaticContact CE1-CE1 3.99Å; Y308-H347 AromaticContact CE1-NE2 3.53Å; Y308-H347 AromaticContact CG-CD2 3.96Å; L313-H347 HydrophobicContact CD1-CB 4.06Å; L313-H347 HydrophobicContact CD2-CB 3.6Å; L344-H347 PolarHBondContact O-N 3.35Å; F345-H347 VanDerWaalsContact C-N 3.26Å; F345-H347 PolarHBondContact O-N 3.47Å; H347-H351 PolarHBondContact O-N 2.66Å |
| 348 | Y | 92.5 | Very high | 88.9 | Confident | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.016 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -70 | -41.5 | 175.3 | -170.8 | -96.2 | 0 | 0 | 0 | 111.5 | L313 L316 T317 V334 L338 L344 F345 D350 H351 L352 F370 I374 | L313-Y348 HydrophobicContact CD1-CD2 4.44Å; L316-Y348 HydrophobicContact CB-CD2 3.95Å; L316-Y348 HydrophobicContact CB-CE2 3.73Å; T317-Y348 HydrophobicContact CG2-CD2 4.08Å; T317-Y348 HydrophobicContact CG2-CE2 4.41Å; V334-Y348 HydrophobicContact CG1-CD1 4.07Å; V334-Y348 HydrophobicContact CG1-CE1 3.37Å; V334-Y348 HydrophobicContact CG1-CE2 4.1Å; V334-Y348 HydrophobicContact CG2-CE2 4.43Å; V334-Y348 WeakPolarHBondContact CG2-OH 3.43Å; L338-Y348 HydrophobicContact CD1-CD1 3.73Å; L338-Y348 HydrophobicContact CD1-CE1 4.34Å; L338-Y348 HydrophobicContact CD1-CG 4.19Å; L338-Y348 HydrophobicContact CD2-CG 4.26Å; L344-Y348 PolarHBondContact O-N 3.43Å; F345-Y348 PolarHBondContact O-N 3.29Å; Y348-D350 VanDerWaalsContact C-N 3.34Å; Y348-D350 PolarHBondContact O-N 3.28Å; Y348-H351 WeakPolarHBondContact O-CB 3.43Å; Y348-H351 PolarHBondContact O-N 2.93Å; Y348-H351 VanDerWaalsContact O-N 3.09Å; Y348-L352 HydrophobicContact CD1-CD1 4.27Å; Y348-L352 HydrophobicContact CD1-CG 4.48Å; Y348-L352 HydrophobicContact CE1-CD1 3.88Å; Y348-L352 HydrophobicContact CE1-CD2 4.34Å; Y348-L352 HydrophobicContact CE1-CG 4.14Å; Y348-L352 PolarHBondContact O-N 3.45Å; Y348-F370 HydrophobicContact CE1-CE1 4.17Å; Y348-F370 HydrophobicContact CE1-CZ 4.4Å; Y348-I374 HydrophobicContact CD1-CD1 4.45Å; Y348-I374 HydrophobicContact CE1-CD1 4.12Å |
| 349 | L | 92.4 | Very high | 88.8 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.8 | -40.4 | 173.8 | -72.3 | -171 | 0 | 0 | 0 | 112.6 | F345 H351 L352 A353 Y375 M413 | F345-L349 HydrophobicContact CD1-CD1 4.05Å; F345-L349 HydrophobicContact CE1-CD1 3.34Å; F345-L349 HydrophobicContact CE1-CG 4.2Å; F345-L349 HydrophobicContact CE2-CD1 4.17Å; F345-L349 HydrophobicContact CE2-CG 4.31Å; F345-L349 HydrophobicContact CZ-CD1 3.45Å; F345-L349 VanDerWaalsContact CZ-CD1 3.45Å; F345-L349 HydrophobicContact CZ-CD2 4.48Å; F345-L349 HydrophobicContact CZ-CG 4.07Å; F345-L349 PolarHBondContact O-N 3.17Å; F345-L349 VanDerWaalsContact O-N 3.11Å; L349-H351 PolarHBondContact O-N 3.47Å; L349-L352 HydrophobicContact CD2-CD1 4.42Å; L349-L352 PolarHBondContact O-N 3.38Å; L349-A353 PolarHBondContact O-N 3.42Å; L349-Y375 HydrophobicContact CD1-CE1 4.47Å; L349-Y375 HydrophobicContact CD1-CE2 4.36Å; L349-Y375 VanDerWaalsContact CD1-OH 3.32Å; L349-Y375 WeakPolarHBondContact CD1-OH 3.44Å; L349-M413 HydrophobicContact CB-SD 3.73Å; L349-M413 HydrophobicContact CD1-SD 3.92Å; L349-M413 HydrophobicContact CD2-SD 4.17Å; L349-M413 HydrophobicContact CG-SD 4.17Å |
| 350 | D | 92 | Very high | 88.7 | Confident | 27 Ų | 27 | 39.9 Ų | 39.9 | 14% | 0.144 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.1 | -27.4 | 173.2 | -86.3 | -4.6 | 0 | 0 | 0 | 113.2 | P346 Y348 S410 P411 K412 | P346-D350 WeakPolarHBondContact O-CB 3.47Å; P346-D350 PolarHBondContact O-N 2.83Å; Y348-D350 VanDerWaalsContact C-N 3.34Å; Y348-D350 PolarHBondContact O-N 3.28Å; D350-S410 WeakPolarHBondContact OD1-CB 3.46Å; D350-S410 PolarHBondContact OD1-OG 3.47Å; D350-P411 WeakPolarHBondContact OD1-CD 3.32Å; D350-K412 HydrophobicContact CB-CB 4.47Å; D350-K412 HydrophobicContact CB-CD 3.89Å; D350-K412 HydrophobicContact CB-CG 4.32Å; D350-K412 WeakPolarHBondContact OD1-CB 3.36Å; D350-K412 WeakPolarHBondContact OD1-CG 3.06Å; D350-K412 PolarHBondContact OD1-N 3.17Å |
| 351 | H | 92.2 | Very high | 88.9 | Confident | 78 Ų | 78 | 36.7 Ų | 36.7 | 36% | 0.361 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -73.9 | -33.5 | 173.1 | 169.5 | 68.7 | 0 | 0 | 0 | 112.3 | T317 H347 Y348 L349 P354 | T317-H351 HydrophobicContact CG2-CB 3.82Å; H347-H351 PolarHBondContact O-N 2.66Å; Y348-H351 WeakPolarHBondContact O-CB 3.43Å; Y348-H351 PolarHBondContact O-N 2.93Å; Y348-H351 VanDerWaalsContact O-N 3.09Å; L349-H351 PolarHBondContact O-N 3.47Å; H351-P354 VanDerWaalsContact O-CD 3.32Å; H351-P354 WeakPolarHBondContact O-CD 3.31Å |
| 352 | L | 92.2 | Very high | 89.1 | Confident | 13 Ų | 13 | 41.8 Ų | 41.8 | 7% | 0.068 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -76.4 | -23.7 | 175.9 | -61.4 | -179 | 0 | 0 | 0 | 113.2 | Y348 L349 P354 S355 L356 L367 F370 V371 I374 | Y348-L352 HydrophobicContact CD1-CD1 4.27Å; Y348-L352 HydrophobicContact CD1-CG 4.48Å; Y348-L352 HydrophobicContact CE1-CD1 3.88Å; Y348-L352 HydrophobicContact CE1-CD2 4.34Å; Y348-L352 HydrophobicContact CE1-CG 4.14Å; Y348-L352 PolarHBondContact O-N 3.45Å; L349-L352 HydrophobicContact CD2-CD1 4.42Å; L349-L352 PolarHBondContact O-N 3.38Å; L352-P354 VanDerWaalsContact C-CD 3.45Å; L352-S355 PolarHBondContact O-N 3.36Å; L352-L356 HydrophobicContact CB-CD1 4.46Å; L352-L356 PolarHBondContact O-N 2.94Å; L352-L367 HydrophobicContact CD2-CD1 4.23Å; L352-F370 HydrophobicContact CD1-CD1 4.22Å; L352-F370 HydrophobicContact CD1-CE1 4.14Å; L352-V371 HydrophobicContact CD1-CG2 4.28Å; L352-I374 HydrophobicContact CD1-CD1 4.28Å |
| 353 | A | 92.6 | Very high | 89.4 | Confident | 4 Ų | 4 | 44.7 Ų | 44.7 | 3% | 0.033 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -49.5 | -44.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | L349 S355 L356 K412 M413 P416 | L349-A353 PolarHBondContact O-N 3.42Å; A353-S355 PolarHBondContact O-N 2.96Å; A353-L356 PolarHBondContact O-N 3.42Å; A353-K412 HydrophobicContact CB-CB 3.52Å; A353-K412 WeakPolarHBondContact CB-O 3.4Å; A353-M413 HydrophobicContact CB-CG 4.09Å; A353-P416 WeakPolarHBondContact O-CG 3.28Å |
| 354 | P | 90.3 | Very high | 90 | Very high | 87 Ų | 87 | 43.1 Ų | 43.1 | 57% | 0.565 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -61.8 | -29.6 | 178 | -22.6 | 35.3 | 0 | 0 | 0 | 113.7 | H351 L352 Y357 | H351-P354 VanDerWaalsContact O-CD 3.32Å; H351-P354 WeakPolarHBondContact O-CD 3.31Å; L352-P354 VanDerWaalsContact C-CD 3.45Å; P354-Y357 WeakPolarHBondContact O-CD2 3.34Å |
| 355 | S | 89.9 | Confident | 90.3 | Very high | 49 Ų | 49 | 45.5 Ų | 45.5 | 34% | 0.343 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -83.7 | -14.6 | -179.7 | -59.8 | 0 | 0 | 0 | 0 | 113.1 | L352 A353 Y357 L367 | L352-S355 PolarHBondContact O-N 3.36Å; A353-S355 PolarHBondContact O-N 2.96Å; S355-Y357 VanDerWaalsContact C-N 3.31Å; S355-Y357 PolarHBondContact O-N 2.89Å; S355-L367 WeakPolarHBondContact O-CD2 3.23Å |
| 356 | L | 92.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -80.6 | -3.5 | -177.6 | -74.6 | 169.8 | 0 | 0 | 0 | 114.6 | L352 A353 W364 L367 I368 V371 M413 P416 | L352-L356 HydrophobicContact CB-CD1 4.46Å; L352-L356 PolarHBondContact O-N 2.94Å; A353-L356 PolarHBondContact O-N 3.42Å; L356-W364 PolarHBondContact O-NE1 2.9Å; L356-L367 HydrophobicContact CD2-CD2 3.72Å; L356-L367 HydrophobicContact CD2-CG 3.75Å; L356-L367 HydrophobicContact CG-CD2 4Å; L356-L367 HydrophobicContact CG-CG 4.43Å; L356-I368 HydrophobicContact CD2-CD1 3.56Å; L356-I368 HydrophobicContact CD2-CG1 4.13Å; L356-V371 HydrophobicContact CD1-CG2 4.42Å; L356-V371 HydrophobicContact CD2-CG2 4.2Å; L356-M413 HydrophobicContact CD1-CE 3.52Å; L356-M413 HydrophobicContact CD1-CG 3.91Å; L356-M413 HydrophobicContact CD1-SD 4.34Å; L356-P416 HydrophobicContact CB-CB 3.83Å; L356-P416 HydrophobicContact CB-CG 4.45Å |
| 357 | Y | 93 | Very high | 90.9 | Very high | 105 Ų | 105 | 47.9 Ų | 47.9 | 41% | 0.412 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -57.8 | 129.5 | 174.8 | -84.1 | -93 | 0 | 0 | 0 | 110.5 | P354 S355 R359 P416 I419 | P354-Y357 WeakPolarHBondContact O-CD2 3.34Å; S355-Y357 VanDerWaalsContact C-N 3.31Å; S355-Y357 PolarHBondContact O-N 2.89Å; Y357-R359 PolarHBondContact O-N 2.88Å; Y357-P416 HydrophobicContact CD2-CB 4.36Å; Y357-P416 HydrophobicContact CD2-CG 4Å; Y357-P416 HydrophobicContact CE2-CG 3.81Å; Y357-I419 HydrophobicContact CD1-CD1 3.94Å; Y357-I419 HydrophobicContact CE1-CD1 3.61Å |
| 358 | P | 88.7 | Confident | 91.1 | Very high | 11 Ų | 11 | 44.6 Ų | 44.6 | 7% | 0.071 | 24% | 0.242 | C | C | . | . | trans | -65.1 | 124.4 | -165.8 | 24.6 | -34.3 | 0 | 0 | 0 | 112.1 | W364 I419 A420 Y423 V429 | P358-W364 HydrophobicContact CB-CZ2 4.48Å; P358-I419 HydrophobicContact CG-CB 4Å; P358-I419 HydrophobicContact CG-CG2 3.54Å; P358-A420 HydrophobicContact CB-CB 3.96Å; P358-A420 HydrophobicContact CG-CB 4.23Å; P358-Y423 HydrophobicContact CB-CD2 3.61Å; P358-Y423 HydrophobicContact CB-CE2 3.8Å; P358-Y423 HydrophobicContact CB-CG 4.03Å; P358-Y423 HydrophobicContact CG-CD2 3.56Å; P358-Y423 HydrophobicContact CG-CE2 3.84Å; P358-Y423 HydrophobicContact CG-CG 4.37Å; P358-Y423 WeakPolarHBondContact O-CE2 3.09Å; P358-Y423 PolarHBondContact O-OH 3.48Å; P358-V429 HydrophobicContact CB-CG1 3.7Å | ||
| 359 | R | 89.1 | Confident | 91.2 | Very high | 145 Ų | 145 | 48.9 Ų | 48.9 | 55% | 0.547 | 26% | 0.262 | S | S | . | . | trans | -137.3 | 135.8 | 172.7 | -70.9 | -179.7 | -87 | -165 | -2 | 107.1 | Y357 S361 W364 | Y357-R359 PolarHBondContact O-N 2.88Å; R359-S361 PolarHBondContact O-N 3.3Å; R359-W364 VanDerWaalsContact O-CB 3.28Å; R359-W364 WeakPolarHBondContact O-CB 3.48Å | ||
| 360 | D | 87 | Confident | 91.3 | Very high | 97 Ų | 97 | 49.1 Ų | 49.1 | 52% | 0.519 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -78 | 75.4 | 173.1 | -160.9 | -12 | 0 | 0 | 0 | 109 | F365 S426 V429 | D360-F365 WeakPolarHBondContact OD1-CE2 3.41Å; D360-S426 WeakPolarHBondContact OD2-CB 3.48Å; D360-S426 PolarHBondContact OD2-OG 3.2Å; D360-V429 HydrophobicContact CB-CG2 4.45Å |
| 361 | S | 88.8 | Confident | 91.4 | Very high | 25 Ų | 25 | 47.9 Ų | 47.9 | 18% | 0.175 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -137.4 | 146.3 | -179.1 | 71.8 | 0 | 0 | 0 | 0 | 111.1 | R359 S363 W364 F365 | R359-S361 PolarHBondContact O-N 3.3Å; S361-S363 PolarHBondContact O-N 3.39Å; S361-S363 VanDerWaalsContact O-N 3.16Å; S361-S363 PolarHBondContact OG-OG 3.41Å; S361-W364 PolarHBondContact O-N 3Å; S361-W364 PolarHBondContact OG-N 3.09Å; S361-F365 VanDerWaalsContact O-CD2 3.22Å; S361-F365 WeakPolarHBondContact O-CD2 3.38Å; S361-F365 PolarHBondContact O-N 3.33Å |
| 362 | P | 88 | Confident | 91.5 | Very high | 108 Ų | 108 | 45 Ų | 45 | 70% | 0.701 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -53.4 | -38 | 176 | -26.5 | 34 | 0 | 0 | 0 | 112.9 | W364 F365 C366 | P362-W364 PolarHBondContact O-N 3.1Å; P362-F365 PolarHBondContact O-N 3.43Å; P362-C366 PolarHBondContact O-N 2.95Å; P362-C366 PolarHBondContact O-SG 3.15Å |
| 363 | S | 87.6 | Confident | 91.6 | Very high | 61 Ų | 61 | 48.1 Ų | 48.1 | 43% | 0.427 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.4 | -39.2 | 177 | 53.8 | 0 | 0 | 0 | 0 | 113.4 | S361 C366 L367 | S361-S363 PolarHBondContact O-N 3.39Å; S361-S363 VanDerWaalsContact O-N 3.16Å; S361-S363 PolarHBondContact OG-OG 3.41Å; S363-C366 PolarHBondContact O-N 3.09Å; S363-L367 WeakPolarHBondContact O-CB 3.39Å; S363-L367 PolarHBondContact O-N 3.04Å |
| 364 | W | 92.8 | Very high | 91.7 | Very high | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.015 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.3 | -41 | 177.5 | -176.7 | 88.8 | 0 | 0 | 0 | 111 | L356 P358 R359 S361 P362 L367 I368 A420 V429 K432 | L356-W364 PolarHBondContact O-NE1 2.9Å; P358-W364 HydrophobicContact CB-CZ2 4.48Å; R359-W364 VanDerWaalsContact O-CB 3.28Å; R359-W364 WeakPolarHBondContact O-CB 3.48Å; S361-W364 PolarHBondContact O-N 3Å; S361-W364 PolarHBondContact OG-N 3.09Å; P362-W364 PolarHBondContact O-N 3.1Å; W364-L367 PolarHBondContact O-N 2.89Å; W364-I368 HydrophobicContact CD2-CG1 3.99Å; W364-I368 HydrophobicContact CE3-CG1 4.12Å; W364-I368 HydrophobicContact CH2-CD1 4.19Å; W364-I368 HydrophobicContact CH2-CG1 3.7Å; W364-I368 HydrophobicContact CZ2-CD1 3.83Å; W364-I368 HydrophobicContact CZ2-CG1 3.56Å; W364-I368 HydrophobicContact CZ3-CG1 3.97Å; W364-I368 WeakPolarHBondContact O-CG1 3.39Å; W364-I368 PolarHBondContact O-N 3.13Å; W364-A420 HydrophobicContact CZ2-CB 4.1Å; W364-V429 HydrophobicContact CE3-CG2 4.2Å; W364-V429 HydrophobicContact CH2-CB 4.2Å; W364-V429 HydrophobicContact CH2-CG1 3.58Å; W364-V429 HydrophobicContact CH2-CG2 4.47Å; W364-V429 HydrophobicContact CZ2-CG1 3.93Å; W364-V429 HydrophobicContact CZ3-CB 4.12Å; W364-V429 HydrophobicContact CZ3-CG1 3.96Å; W364-V429 HydrophobicContact CZ3-CG2 3.99Å; W364-K432 HydrophobicContact CZ3-CB 4.36Å |
| 365 | F | 92.9 | Very high | 91.8 | Very high | 51 Ų | 51 | 43.8 Ų | 43.8 | 22% | 0.224 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.9 | -44.1 | 174.1 | -71.1 | -74.4 | 0 | 0 | 0 | 111.7 | D360 S361 P362 L367 I368 E369 D428 V429 K432 | D360-F365 WeakPolarHBondContact OD1-CE2 3.41Å; S361-F365 VanDerWaalsContact O-CD2 3.22Å; S361-F365 WeakPolarHBondContact O-CD2 3.38Å; S361-F365 PolarHBondContact O-N 3.33Å; P362-F365 PolarHBondContact O-N 3.43Å; F365-L367 VanDerWaalsContact C-N 3.33Å; F365-L367 PolarHBondContact O-N 3.21Å; F365-I368 PolarHBondContact O-N 3.42Å; F365-E369 WeakPolarHBondContact O-CB 3.13Å; F365-E369 VanDerWaalsContact O-CG 3.31Å; F365-E369 WeakPolarHBondContact O-CG 3.49Å; F365-E369 PolarHBondContact O-N 3.5Å; F365-D428 HydrophobicContact CE1-CB 4.21Å; F365-D428 HydrophobicContact CZ-CB 3.9Å; F365-V429 HydrophobicContact CZ-CG2 4Å; F365-K432 HydrophobicContact CE1-CB 4.48Å |
| 366 | C | 92.4 | Very high | 91.9 | Very high | 64 Ų | 64 | 49.7 Ų | 49.7 | 43% | 0.432 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.5 | -41.2 | 174.1 | -67.4 | 0 | 0 | 0 | 0 | 112.4 | Y325 P362 S363 E369 F370 | Y325-C366 HydrophobicContact CD2-CB 3.8Å; Y325-C366 HydrophobicContact CE2-CB 4.11Å; P362-C366 PolarHBondContact O-N 2.95Å; P362-C366 PolarHBondContact O-SG 3.15Å; S363-C366 PolarHBondContact O-N 3.09Å; C366-E369 PolarHBondContact O-N 3.08Å; C366-F370 WeakPolarHBondContact O-CB 3.47Å; C366-F370 PolarHBondContact O-N 3.38Å |
| 367 | L | 93.1 | Very high | 91.9 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.016 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 177.2 | 176.5 | 63.5 | 0 | 0 | 0 | 111.8 | Y325 L352 S355 L356 S363 W364 F365 F370 V371 | Y325-L367 HydrophobicContact CD1-CD1 3.77Å; Y325-L367 HydrophobicContact CE1-CB 4.3Å; Y325-L367 HydrophobicContact CE1-CD1 3.76Å; Y325-L367 HydrophobicContact CE2-CB 4.36Å; L352-L367 HydrophobicContact CD2-CD1 4.23Å; S355-L367 WeakPolarHBondContact O-CD2 3.23Å; L356-L367 HydrophobicContact CD2-CD2 3.72Å; L356-L367 HydrophobicContact CD2-CG 3.75Å; L356-L367 HydrophobicContact CG-CD2 4Å; L356-L367 HydrophobicContact CG-CG 4.43Å; S363-L367 WeakPolarHBondContact O-CB 3.39Å; S363-L367 PolarHBondContact O-N 3.04Å; W364-L367 PolarHBondContact O-N 2.89Å; F365-L367 VanDerWaalsContact C-N 3.33Å; F365-L367 PolarHBondContact O-N 3.21Å; L367-F370 WeakPolarHBondContact O-CB 3.46Å; L367-F370 PolarHBondContact O-N 3.1Å; L367-V371 WeakPolarHBondContact O-CG2 3.43Å; L367-V371 PolarHBondContact O-N 3.08Å |
| 368 | I | 93.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66 | -42.5 | 176.1 | -74.4 | -75 | 0 | 0 | 0 | 111 | L356 W364 F365 F370 V371 F372 I417 K432 | L356-I368 HydrophobicContact CD2-CD1 3.56Å; L356-I368 HydrophobicContact CD2-CG1 4.13Å; W364-I368 HydrophobicContact CD2-CG1 3.99Å; W364-I368 HydrophobicContact CE3-CG1 4.12Å; W364-I368 HydrophobicContact CH2-CD1 4.19Å; W364-I368 HydrophobicContact CH2-CG1 3.7Å; W364-I368 HydrophobicContact CZ2-CD1 3.83Å; W364-I368 HydrophobicContact CZ2-CG1 3.56Å; W364-I368 HydrophobicContact CZ3-CG1 3.97Å; W364-I368 WeakPolarHBondContact O-CG1 3.39Å; W364-I368 PolarHBondContact O-N 3.13Å; F365-I368 PolarHBondContact O-N 3.42Å; I368-F370 PolarHBondContact O-N 2.86Å; I368-V371 WeakPolarHBondContact O-CB 3.4Å; I368-V371 PolarHBondContact O-N 2.94Å; I368-V371 VanDerWaalsContact O-N 3.11Å; I368-F372 HydrophobicContact CG2-CD2 3.85Å; I368-F372 HydrophobicContact CG2-CE2 3.68Å; I368-F372 VanDerWaalsContact O-CD2 3.25Å; I368-F372 WeakPolarHBondContact O-CD2 3.37Å; I368-F372 PolarHBondContact O-N 3.46Å; I368-I417 HydrophobicContact CD1-CD1 4.06Å; I368-K432 HydrophobicContact CG2-CG 3.56Å |
| 369 | E | 94.2 | Very high | 91.7 | Very high | 93 Ų | 93 | 46.3 Ų | 46.3 | 44% | 0.435 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.8 | -36.5 | 173 | -74.8 | -63 | 165.2 | 0 | 0 | 112.1 | F365 C366 F372 H373 K432 | F365-E369 WeakPolarHBondContact O-CB 3.13Å; F365-E369 VanDerWaalsContact O-CG 3.31Å; F365-E369 WeakPolarHBondContact O-CG 3.49Å; F365-E369 PolarHBondContact O-N 3.5Å; C366-E369 PolarHBondContact O-N 3.08Å; E369-F372 WeakPolarHBondContact O-CB 3.43Å; E369-F372 PolarHBondContact O-N 3.2Å; E369-H373 WeakPolarHBondContact O-CB 3.47Å; E369-H373 PolarHBondContact O-N 3.45Å; E369-K432 WeakPolarHBondContact OE1-CE 3.2Å; E369-K432 IonicContact OE1-NZ 3Å; E369-K432 PolarHBondContact OE1-NZ 3.3Å |
| 370 | F | 94.6 | Very high | 91.7 | Very high | 7 Ų | 7 | 44.7 Ų | 44.7 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.2 | -41 | 173.2 | 177.5 | -128.7 | 0 | 0 | 0 | 112.3 | Y325 T331 V334 V335 Y348 L352 C366 L367 I368 F372 H373 I374 | Y325-F370 VanDerWaalsContact CB-CB 3.48Å; Y325-F370 HydrophobicContact CD1-CD1 4.32Å; Y325-F370 HydrophobicContact CG-CB 4.42Å; Y325-F370 HydrophobicContact CG-CD1 4.46Å; T331-F370 HydrophobicContact CG2-CD2 3.85Å; T331-F370 HydrophobicContact CG2-CE2 3.72Å; V334-F370 HydrophobicContact CB-CZ 4.09Å; V334-F370 HydrophobicContact CG1-CZ 3.81Å; V334-F370 HydrophobicContact CG2-CZ 4.45Å; V335-F370 HydrophobicContact CG2-CE2 4.22Å; Y348-F370 HydrophobicContact CE1-CE1 4.17Å; Y348-F370 HydrophobicContact CE1-CZ 4.4Å; L352-F370 HydrophobicContact CD1-CD1 4.22Å; L352-F370 HydrophobicContact CD1-CE1 4.14Å; C366-F370 WeakPolarHBondContact O-CB 3.47Å; C366-F370 PolarHBondContact O-N 3.38Å; L367-F370 WeakPolarHBondContact O-CB 3.46Å; L367-F370 PolarHBondContact O-N 3.1Å; I368-F370 PolarHBondContact O-N 2.86Å; F370-F372 VanDerWaalsContact C-N 3.32Å; F370-F372 PolarHBondContact O-N 3.13Å; F370-H373 WeakPolarHBondContact O-CB 3.44Å; F370-H373 PolarHBondContact O-N 3.07Å; F370-H373 VanDerWaalsContact O-N 3.15Å; F370-I374 HydrophobicContact CD1-CD1 3.97Å; F370-I374 HydrophobicContact CD2-CD1 4.27Å; F370-I374 HydrophobicContact CD2-CG1 4.23Å; F370-I374 HydrophobicContact CE1-CD1 3.67Å; F370-I374 HydrophobicContact CE2-CD1 3.95Å; F370-I374 HydrophobicContact CE2-CG1 3.95Å; F370-I374 HydrophobicContact CG-CD1 4.29Å; F370-I374 HydrophobicContact CZ-CD1 3.68Å; F370-I374 HydrophobicContact CZ-CG1 4.16Å; F370-I374 WeakPolarHBondContact O-CG1 3.39Å; F370-I374 PolarHBondContact O-N 3.22Å |
| 371 | V | 94.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.8 | -43.3 | 172 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | L352 L356 L367 I368 H373 I374 Y375 M413 L436 | L352-V371 HydrophobicContact CD1-CG2 4.28Å; L356-V371 HydrophobicContact CD1-CG2 4.42Å; L356-V371 HydrophobicContact CD2-CG2 4.2Å; L367-V371 WeakPolarHBondContact O-CG2 3.43Å; L367-V371 PolarHBondContact O-N 3.08Å; I368-V371 WeakPolarHBondContact O-CB 3.4Å; I368-V371 PolarHBondContact O-N 2.94Å; I368-V371 VanDerWaalsContact O-N 3.11Å; V371-H373 PolarHBondContact O-N 3.22Å; V371-I374 PolarHBondContact O-N 2.79Å; V371-Y375 HydrophobicContact CG1-CD2 3.68Å; V371-Y375 HydrophobicContact CG1-CE2 3.6Å; V371-Y375 VanDerWaalsContact O-CD2 3.23Å; V371-Y375 WeakPolarHBondContact O-CD2 3.29Å; V371-Y375 PolarHBondContact O-N 2.97Å; V371-M413 HydrophobicContact CG1-CE 3.89Å; V371-M413 HydrophobicContact CG2-CE 4.4Å; V371-L436 HydrophobicContact CG1-CD1 4.24Å; V371-L436 HydrophobicContact CG1-CD2 4.38Å |
| 372 | F | 94.2 | Very high | 91.7 | Very high | 18 Ų | 18 | 41.5 Ų | 41.5 | 8% | 0.079 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.7 | -46 | 171.9 | -85 | -77.9 | 0 | 0 | 0 | 112.2 | I368 E369 F370 I374 Y375 R376 K432 E435 L436 Y439 | I368-F372 HydrophobicContact CG2-CD2 3.85Å; I368-F372 HydrophobicContact CG2-CE2 3.68Å; I368-F372 VanDerWaalsContact O-CD2 3.25Å; I368-F372 WeakPolarHBondContact O-CD2 3.37Å; I368-F372 PolarHBondContact O-N 3.46Å; E369-F372 WeakPolarHBondContact O-CB 3.43Å; E369-F372 PolarHBondContact O-N 3.2Å; F370-F372 VanDerWaalsContact C-N 3.32Å; F370-F372 PolarHBondContact O-N 3.13Å; F372-I374 VanDerWaalsContact C-N 3.33Å; F372-I374 PolarHBondContact O-N 3.35Å; F372-Y375 PolarHBondContact O-N 3.15Å; F372-R376 WeakPolarHBondContact O-CB 3.4Å; F372-R376 PolarHBondContact O-N 3.42Å; F372-K432 HydrophobicContact CE2-CD 4.4Å; F372-K432 HydrophobicContact CE2-CG 4.32Å; F372-E435 HydrophobicContact CE1-CG 4.21Å; F372-E435 HydrophobicContact CZ-CB 3.98Å; F372-E435 HydrophobicContact CZ-CG 3.83Å; F372-L436 HydrophobicContact CD1-CD1 4.18Å; F372-L436 HydrophobicContact CD2-CD1 4.48Å; F372-L436 HydrophobicContact CE1-CB 4.2Å; F372-L436 HydrophobicContact CE1-CD1 4.04Å; F372-L436 HydrophobicContact CE2-CB 3.97Å; F372-L436 HydrophobicContact CE2-CD1 4.3Å; F372-L436 HydrophobicContact CG-CD1 4.42Å; F372-L436 HydrophobicContact CZ-CB 3.62Å; F372-L436 HydrophobicContact CZ-CD1 4.13Å; F372-L436 HydrophobicContact CZ-CG 4.5Å; F372-Y439 HydrophobicContact CD1-CD1 4.14Å; F372-Y439 HydrophobicContact CD1-CG 4.32Å; F372-Y439 HydrophobicContact CE1-CD1 4.45Å; F372-Y439 HydrophobicContact CE1-CG 4.26Å |
| 373 | H | 94 | Very high | 91.6 | Very high | 78 Ų | 78 | 36.5 Ų | 36.5 | 36% | 0.361 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -61.8 | -41.8 | -179.4 | -178 | 54.5 | 0 | 0 | 0 | 112 | E369 F370 V371 R376 S377 | E369-H373 WeakPolarHBondContact O-CB 3.47Å; E369-H373 PolarHBondContact O-N 3.45Å; F370-H373 WeakPolarHBondContact O-CB 3.44Å; F370-H373 PolarHBondContact O-N 3.07Å; F370-H373 VanDerWaalsContact O-N 3.15Å; V371-H373 PolarHBondContact O-N 3.22Å; H373-R376 PolarHBondContact O-N 2.71Å; H373-S377 WeakPolarHBondContact O-CB 3.2Å; H373-S377 PolarHBondContact O-N 2.84Å; H373-S377 PolarHBondContact O-OG 3.03Å |
| 374 | I | 93.7 | Very high | 91.4 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.1 | -55 | 173.2 | -74.3 | 171.3 | 0 | 0 | 0 | 110.4 | V335 L338 F345 Y348 L352 F370 V371 F372 R376 S377 I378 | V335-I374 HydrophobicContact CG2-CG1 4.12Å; L338-I374 HydrophobicContact CD1-CD1 4.38Å; L338-I374 HydrophobicContact CD1-CG2 4.11Å; F345-I374 HydrophobicContact CD2-CG2 4.39Å; F345-I374 HydrophobicContact CE2-CG2 3.41Å; F345-I374 VanDerWaalsContact CE2-CG2 3.41Å; F345-I374 HydrophobicContact CZ-CG2 4.11Å; Y348-I374 HydrophobicContact CD1-CD1 4.45Å; Y348-I374 HydrophobicContact CE1-CD1 4.12Å; L352-I374 HydrophobicContact CD1-CD1 4.28Å; F370-I374 HydrophobicContact CD1-CD1 3.97Å; F370-I374 HydrophobicContact CD2-CD1 4.27Å; F370-I374 HydrophobicContact CD2-CG1 4.23Å; F370-I374 HydrophobicContact CE1-CD1 3.67Å; F370-I374 HydrophobicContact CE2-CD1 3.95Å; F370-I374 HydrophobicContact CE2-CG1 3.95Å; F370-I374 HydrophobicContact CG-CD1 4.29Å; F370-I374 HydrophobicContact CZ-CD1 3.68Å; F370-I374 HydrophobicContact CZ-CG1 4.16Å; F370-I374 WeakPolarHBondContact O-CG1 3.39Å; F370-I374 PolarHBondContact O-N 3.22Å; V371-I374 PolarHBondContact O-N 2.79Å; F372-I374 VanDerWaalsContact C-N 3.33Å; F372-I374 PolarHBondContact O-N 3.35Å; I374-R376 VanDerWaalsContact C-N 3.31Å; I374-R376 PolarHBondContact O-N 2.8Å; I374-S377 PolarHBondContact O-N 2.7Å; I374-I378 HydrophobicContact CG2-CD1 4.13Å; I374-I378 PolarHBondContact O-N 3.41Å; I374-I378 VanDerWaalsContact O-N 3.08Å |
| 375 | Y | 93.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.8 | -37.6 | -179 | -84.7 | -62.7 | 0 | 0 | 0 | 112.6 | F345 L349 V371 F372 S377 I378 S379 V408 L436 L440 L443 | F345-Y375 AromaticContact CE1-CE1 3.83Å; F345-Y375 HydrophobicContact CE1-CE1 3.83Å; F345-Y375 AromaticContact CZ-CD1 3.89Å; F345-Y375 HydrophobicContact CZ-CD1 3.89Å; F345-Y375 AromaticContact CZ-CE1 3.54Å; F345-Y375 HydrophobicContact CZ-CE1 3.54Å; L349-Y375 HydrophobicContact CD1-CE1 4.47Å; L349-Y375 HydrophobicContact CD1-CE2 4.36Å; L349-Y375 VanDerWaalsContact CD1-OH 3.32Å; L349-Y375 WeakPolarHBondContact CD1-OH 3.44Å; V371-Y375 HydrophobicContact CG1-CD2 3.68Å; V371-Y375 HydrophobicContact CG1-CE2 3.6Å; V371-Y375 VanDerWaalsContact O-CD2 3.23Å; V371-Y375 WeakPolarHBondContact O-CD2 3.29Å; V371-Y375 PolarHBondContact O-N 2.97Å; F372-Y375 PolarHBondContact O-N 3.15Å; Y375-S377 VanDerWaalsContact C-N 3.33Å; Y375-S377 PolarHBondContact O-N 2.94Å; Y375-I378 PolarHBondContact O-N 3.42Å; Y375-S379 PolarHBondContact O-N 3.19Å; Y375-V408 PolarHBondContact OH-O 3.42Å; Y375-L436 HydrophobicContact CD2-CD1 4.34Å; Y375-L440 HydrophobicContact CD1-CD2 3.8Å; Y375-L440 HydrophobicContact CD2-CD2 3.87Å; Y375-L440 HydrophobicContact CE1-CD2 3.59Å; Y375-L440 HydrophobicContact CE2-CD2 3.69Å; Y375-L440 HydrophobicContact CG-CD2 3.94Å; Y375-L443 HydrophobicContact CD1-CD1 3.78Å; Y375-L443 HydrophobicContact CG-CD1 4.12Å |
| 376 | R | 92.3 | Very high | 90.6 | Very high | 172 Ų | 172 | 33.3 Ų | 33.3 | 65% | 0.649 | 16% | 0.156 | S | C | * | . | H | α-helix | trans | -68.4 | -30.8 | 177.1 | -170.8 | 178.2 | -162.5 | 164.2 | 4.6 | 113.3 | F372 H373 I374 S379 Y439 | F372-R376 WeakPolarHBondContact O-CB 3.4Å; F372-R376 PolarHBondContact O-N 3.42Å; H373-R376 PolarHBondContact O-N 2.71Å; I374-R376 VanDerWaalsContact C-N 3.31Å; I374-R376 PolarHBondContact O-N 2.8Å; R376-S379 PolarHBondContact O-OG 3.49Å; R376-Y439 VanDerWaalsContact CA-OH 3.26Å; R376-Y439 WeakPolarHBondContact CA-OH 3.26Å; R376-Y439 HydrophobicContact CB-CE1 4.43Å |
| 377 | S | 91.1 | Very high | 90 | Very high | 24 Ų | 24 | 32.9 Ų | 32.9 | 17% | 0.168 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -75.5 | -41.7 | 176.9 | -59.2 | 0 | 0 | 0 | 0 | 110.8 | V335 H373 I374 Y375 S379 Y381 | V335-S377 VanDerWaalsContact CG1-OG 3.27Å; V335-S377 WeakPolarHBondContact CG1-OG 3.31Å; H373-S377 WeakPolarHBondContact O-CB 3.2Å; H373-S377 PolarHBondContact O-N 2.84Å; H373-S377 PolarHBondContact O-OG 3.03Å; I374-S377 PolarHBondContact O-N 2.7Å; Y375-S377 VanDerWaalsContact C-N 3.33Å; Y375-S377 PolarHBondContact O-N 2.94Å; S377-S379 VanDerWaalsContact C-N 3.28Å; S377-S379 PolarHBondContact O-N 3.25Å; S377-Y381 WeakPolarHBondContact O-CD2 3.48Å |
| 378 | I | 88.6 | Confident | 89.2 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70.3 | -25.5 | 176.9 | -72.7 | 164.1 | 0 | 0 | 0 | 112.2 | L338 F345 I374 Y375 K380 Y381 I382 F385 | L338-I378 HydrophobicContact CB-CD1 4.43Å; F345-I378 HydrophobicContact CD2-CD1 3.18Å; F345-I378 HydrophobicContact CE2-CD1 2.99Å; F345-I378 HydrophobicContact CE2-CG1 4.47Å; F345-I378 HydrophobicContact CG-CD1 4.17Å; F345-I378 HydrophobicContact CZ-CD1 3.84Å; I374-I378 HydrophobicContact CG2-CD1 4.13Å; I374-I378 PolarHBondContact O-N 3.41Å; I374-I378 VanDerWaalsContact O-N 3.08Å; Y375-I378 PolarHBondContact O-N 3.42Å; I378-K380 PolarHBondContact O-N 2.89Å; I378-Y381 WeakPolarHBondContact O-CA 3.43Å; I378-Y381 PolarHBondContact O-N 3.47Å; I378-I382 HydrophobicContact CG2-CG1 4.13Å; I378-I382 PolarHBondContact O-N 3.22Å; I378-F385 HydrophobicContact CG1-CE2 4.29Å; I378-F385 HydrophobicContact CG2-CD2 4.1Å; I378-F385 HydrophobicContact CG2-CE2 3.73Å |
| 379 | S | 89.9 | Confident | 88.4 | Confident | 20 Ų | 20 | 34 Ų | 34 | 14% | 0.14 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -30.4 | -178.3 | 79.8 | 0 | 0 | 0 | 0 | 113.1 | Y375 R376 S377 Y381 Q505 | Y375-S379 PolarHBondContact O-N 3.19Å; R376-S379 PolarHBondContact O-OG 3.49Å; S377-S379 VanDerWaalsContact C-N 3.28Å; S377-S379 PolarHBondContact O-N 3.25Å; S379-Y381 VanDerWaalsContact C-N 3.34Å; S379-Q505 PolarHBondContact O-NE2 3.3Å; S379-Q505 PolarHBondContact O-OE1 3.42Å |
| 380 | K | 87.9 | Confident | 87.6 | Confident | 111 Ų | 111 | 30.1 Ų | 30.1 | 48% | 0.483 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -16.5 | 177.8 | -60.3 | 179.9 | -179.4 | 179.9 | 0 | 114.3 | I378 Q505 V506 | I378-K380 PolarHBondContact O-N 2.89Å; K380-Q505 WeakPolarHBondContact O-CA 3.23Å; K380-Q505 PolarHBondContact O-OE1 3.17Å; K380-V506 PolarHBondContact O-N 3.19Å |
| 381 | Y | 88.3 | Confident | 86.4 | Confident | 55 Ų | 55 | 33.9 Ų | 33.9 | 22% | 0.216 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | -2.2 | -175.5 | -59.3 | -76.6 | 0 | 0 | 0 | 113 | C339 S377 I378 S379 V383 Q384 F385 V506 | C339-Y381 HydrophobicContact CB-CD2 4.11Å; C339-Y381 HydrophobicContact CB-CE2 3.93Å; S377-Y381 WeakPolarHBondContact O-CD2 3.48Å; I378-Y381 WeakPolarHBondContact O-CA 3.43Å; I378-Y381 PolarHBondContact O-N 3.47Å; S379-Y381 VanDerWaalsContact C-N 3.34Å; Y381-V383 VanDerWaalsContact C-N 3.28Å; Y381-V383 PolarHBondContact O-N 2.66Å; Y381-Q384 CarbonylContact O-C 3.44Å; Y381-Q384 WeakPolarHBondContact O-CA 3.42Å; Y381-Q384 WeakPolarHBondContact O-CB 3.25Å; Y381-Q384 PolarHBondContact O-N 2.9Å; Y381-F385 HydrophobicContact CG-CE1 4.48Å; Y381-F385 HydrophobicContact CG-CZ 4.28Å; Y381-F385 VanDerWaalsContact O-CG 3.31Å; Y381-F385 WeakPolarHBondContact O-CG 3.41Å; Y381-F385 PolarHBondContact O-N 3.22Å; Y381-V506 HydrophobicContact CD1-CB 4.05Å; Y381-V506 HydrophobicContact CD1-CG2 4.24Å; Y381-V506 HydrophobicContact CE1-CB 4.03Å; Y381-V506 HydrophobicContact CE1-CG1 4.22Å; Y381-V506 HydrophobicContact CE1-CG2 3.88Å |
| 382 | I | 88.6 | Confident | 85.1 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57 | -42.1 | -175.2 | -69.1 | 173.5 | 0 | 0 | 0 | 111.5 | I378 F385 T386 L443 I446 P447 | I378-I382 HydrophobicContact CG2-CG1 4.13Å; I378-I382 PolarHBondContact O-N 3.22Å; I382-F385 PolarHBondContact O-N 2.97Å; I382-T386 VanDerWaalsContact O-CB 3.31Å; I382-T386 WeakPolarHBondContact O-CB 3.45Å; I382-T386 PolarHBondContact O-N 3.21Å; I382-T386 PolarHBondContact O-OG1 3.07Å; I382-L443 HydrophobicContact CD1-CB 4.17Å; I382-L443 HydrophobicContact CD1-CD2 4.04Å; I382-I446 HydrophobicContact CB-CG2 4.2Å; I382-I446 HydrophobicContact CD1-CD1 4.07Å; I382-I446 HydrophobicContact CG2-CG2 4.16Å; I382-P447 HydrophobicContact CG2-CB 4.19Å; I382-P447 HydrophobicContact CG2-CG 4.15Å |
| 383 | V | 86.4 | Confident | 83.6 | Confident | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.018 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.4 | -44.4 | 176.2 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | Y381 F385 T386 I387 I446 W450 L502 Q505 V507 | Y381-V383 VanDerWaalsContact C-N 3.28Å; Y381-V383 PolarHBondContact O-N 2.66Å; V383-F385 VanDerWaalsContact C-N 3.33Å; V383-F385 PolarHBondContact O-N 3.14Å; V383-T386 WeakPolarHBondContact O-CB 3.49Å; V383-T386 PolarHBondContact O-N 3.1Å; V383-I387 HydrophobicContact CG1-CD1 3.73Å; V383-I387 HydrophobicContact CG1-CG1 4.38Å; V383-I387 VanDerWaalsContact O-CG1 3.29Å; V383-I387 WeakPolarHBondContact O-CG1 3.44Å; V383-I387 PolarHBondContact O-N 3.36Å; V383-I446 HydrophobicContact CG2-CG2 3.98Å; V383-W450 VanDerWaalsContact CG1-CD1 3.5Å; V383-W450 HydrophobicContact CG1-CD2 4.4Å; V383-W450 HydrophobicContact CG1-CG 4.12Å; V383-W450 HydrophobicContact CG2-CB 4.09Å; V383-W450 HydrophobicContact CG2-CG 3.98Å; V383-L502 HydrophobicContact CG2-CD2 4.11Å; V383-Q505 HydrophobicContact CB-CB 4.06Å; V383-Q505 HydrophobicContact CB-CG 4.05Å; V383-Q505 HydrophobicContact CG2-CB 4.13Å; V383-Q505 HydrophobicContact CG2-CG 3.6Å; V383-V507 HydrophobicContact CG1-CG2 4.44Å |
| 384 | Q | 83.4 | Confident | 82.1 | Confident | 42 Ų | 42 | 36.4 Ų | 36.4 | 20% | 0.196 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.1 | -44 | 175.6 | -175.4 | 175.1 | -5.7 | 0 | 0 | 112.1 | Y381 T386 I387 T388 V506 S508 | Y381-Q384 CarbonylContact O-C 3.44Å; Y381-Q384 WeakPolarHBondContact O-CA 3.42Å; Y381-Q384 WeakPolarHBondContact O-CB 3.25Å; Y381-Q384 PolarHBondContact O-N 2.9Å; Q384-T386 VanDerWaalsContact C-N 3.33Å; Q384-I387 PolarHBondContact O-N 3.34Å; Q384-T388 WeakPolarHBondContact O-CB 3.45Å; Q384-T388 PolarHBondContact O-N 3.34Å; Q384-T388 PolarHBondContact O-OG1 2.86Å; Q384-V506 WeakPolarHBondContact CB-O 3.5Å; Q384-S508 PolarHBondContact NE2-OG 3.38Å |
| 385 | F | 85.6 | Confident | 81.2 | Confident | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.018 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67 | -37.8 | 177.5 | -64.8 | -13.4 | 0 | 0 | 0 | 111.5 | C339 P342 I378 Y381 I382 V383 T388 A389 F406 | C339-F385 WeakPolarHBondContact O-CE1 3.36Å; C339-F385 VanDerWaalsContact O-CZ 3.23Å; C339-F385 WeakPolarHBondContact O-CZ 3.32Å; P342-F385 HydrophobicContact CB-CD1 4Å; P342-F385 HydrophobicContact CB-CD2 3.9Å; P342-F385 HydrophobicContact CB-CE1 4.04Å; P342-F385 HydrophobicContact CB-CE2 3.93Å; P342-F385 HydrophobicContact CB-CG 3.93Å; P342-F385 HydrophobicContact CB-CZ 4Å; P342-F385 HydrophobicContact CG-CD1 3.99Å; P342-F385 HydrophobicContact CG-CE1 4.04Å; P342-F385 HydrophobicContact CG-CG 4.36Å; P342-F385 HydrophobicContact CG-CZ 4.44Å; I378-F385 HydrophobicContact CG1-CE2 4.29Å; I378-F385 HydrophobicContact CG2-CD2 4.1Å; I378-F385 HydrophobicContact CG2-CE2 3.73Å; Y381-F385 HydrophobicContact CG-CE1 4.48Å; Y381-F385 HydrophobicContact CG-CZ 4.28Å; Y381-F385 VanDerWaalsContact O-CG 3.31Å; Y381-F385 WeakPolarHBondContact O-CG 3.41Å; Y381-F385 PolarHBondContact O-N 3.22Å; I382-F385 PolarHBondContact O-N 2.97Å; V383-F385 VanDerWaalsContact C-N 3.33Å; V383-F385 PolarHBondContact O-N 3.14Å; F385-T388 PolarHBondContact O-N 3.39Å; F385-A389 WeakPolarHBondContact O-CB 3.29Å; F385-A389 PolarHBondContact O-N 3.49Å; F385-F406 HydrophobicContact CB-CD2 4.01Å; F385-F406 HydrophobicContact CB-CE2 3.64Å; F385-F406 HydrophobicContact CB-CZ 4.03Å; F385-F406 HydrophobicContact CD2-CD1 4.09Å; F385-F406 HydrophobicContact CD2-CD2 4.37Å; F385-F406 HydrophobicContact CD2-CE1 4.09Å; F385-F406 HydrophobicContact CD2-CE2 4.36Å; F385-F406 HydrophobicContact CD2-CG 4.26Å; F385-F406 HydrophobicContact CD2-CZ 4.23Å; F385-F406 HydrophobicContact CG-CE2 4.43Å; F385-F406 HydrophobicContact CG-CZ 4.42Å |
| 386 | T | 82.6 | Confident | 80.6 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63 | -44.9 | 174.4 | -57.9 | 0 | 0 | 0 | 0 | 110.6 | I382 V383 Q384 A389 L390 I403 W450 | I382-T386 VanDerWaalsContact O-CB 3.31Å; I382-T386 WeakPolarHBondContact O-CB 3.45Å; I382-T386 PolarHBondContact O-N 3.21Å; I382-T386 PolarHBondContact O-OG1 3.07Å; V383-T386 WeakPolarHBondContact O-CB 3.49Å; V383-T386 PolarHBondContact O-N 3.1Å; Q384-T386 VanDerWaalsContact C-N 3.33Å; T386-A389 PolarHBondContact O-N 3.25Å; T386-L390 WeakPolarHBondContact O-CB 3.38Å; T386-L390 PolarHBondContact O-N 2.99Å; T386-I403 HydrophobicContact CG2-CD1 3.89Å; T386-I403 HydrophobicContact CG2-CG1 4.1Å; T386-W450 HydrophobicContact CG2-CE3 3.96Å; T386-W450 HydrophobicContact CG2-CZ3 3.83Å |
| 387 | I | 79.5 | Confident | 80.1 | Confident | 55 Ų | 55 | 35.1 Ų | 35.1 | 28% | 0.282 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65 | -43.7 | 176.6 | -67.7 | 165.8 | 0 | 0 | 0 | 110.8 | V383 Q384 L390 T391 W450 | V383-I387 HydrophobicContact CG1-CD1 3.73Å; V383-I387 HydrophobicContact CG1-CG1 4.38Å; V383-I387 VanDerWaalsContact O-CG1 3.29Å; V383-I387 WeakPolarHBondContact O-CG1 3.44Å; V383-I387 PolarHBondContact O-N 3.36Å; Q384-I387 PolarHBondContact O-N 3.34Å; I387-L390 CarbonylContact O-C 3.12Å; I387-L390 WeakPolarHBondContact O-CB 3.37Å; I387-L390 PolarHBondContact O-N 3.37Å; I387-T391 WeakPolarHBondContact O-CG2 3.13Å; I387-T391 PolarHBondContact O-N 3Å; I387-T391 PolarHBondContact O-OG1 3.47Å; I387-W450 HydrophobicContact CD1-CZ2 3.95Å; I387-W450 HydrophobicContact CG1-CH2 3.91Å; I387-W450 HydrophobicContact CG1-CZ2 3.54Å |
| 388 | T | 76.2 | Confident | 79.5 | Confident | 28 Ų | 28 | 34.9 Ų | 34.9 | 17% | 0.172 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69 | -38.5 | -179 | -49.7 | 0 | 0 | 0 | 0 | 110.9 | N300 F302 Q384 F385 L390 T391 H392 | N300-T388 HydrophobicContact CB-CG2 4.11Å; F302-T388 HydrophobicContact CD2-CG2 4.11Å; F302-T388 HydrophobicContact CE2-CG2 3.58Å; Q384-T388 WeakPolarHBondContact O-CB 3.45Å; Q384-T388 PolarHBondContact O-N 3.34Å; Q384-T388 PolarHBondContact O-OG1 2.86Å; F385-T388 PolarHBondContact O-N 3.39Å; T388-L390 VanDerWaalsContact C-N 3.33Å; T388-T391 WeakPolarHBondContact CA-OG1 3Å; T388-T391 PolarHBondContact O-N 3.34Å; T388-T391 PolarHBondContact O-OG1 3.04Å; T388-H392 PolarHBondContact O-CD2 2.91Å; T388-H392 PolarHBondContact O-N 3.29Å |
| 389 | A | 77.6 | Confident | 79.2 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.6 | -42.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | F302 F385 T386 T391 H392 S393 L399 | F302-A389 HydrophobicContact CD1-CB 4.3Å; F302-A389 VanDerWaalsContact CD2-CA 3.47Å; F302-A389 HydrophobicContact CD2-CB 4.08Å; F302-A389 HydrophobicContact CE1-CB 4.43Å; F302-A389 HydrophobicContact CE2-CB 4.18Å; F302-A389 HydrophobicContact CG-CB 4.1Å; F302-A389 HydrophobicContact CZ-CB 4.32Å; F385-A389 WeakPolarHBondContact O-CB 3.29Å; F385-A389 PolarHBondContact O-N 3.49Å; T386-A389 PolarHBondContact O-N 3.25Å; A389-T391 VanDerWaalsContact C-N 3.32Å; A389-T391 PolarHBondContact O-N 3.14Å; A389-H392 PolarHBondContact O-N 3.21Å; A389-S393 WeakPolarHBondContact O-CA 3.28Å; A389-S393 WeakPolarHBondContact O-CB 3.26Å; A389-S393 PolarHBondContact O-N 3.44Å; A389-S393 PolarHBondContact O-OG 3.13Å; A389-L399 HydrophobicContact CB-CD1 3.61Å |
| 390 | L | 76.6 | Confident | 79.1 | Confident | 10 Ų | 10 | 33.9 Ų | 33.9 | 5% | 0.052 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.5 | -39.3 | 176.5 | -173.3 | 70.6 | 0 | 0 | 0 | 111.8 | T386 I387 T388 H392 L399 W450 L456 P457 M460 | T386-L390 WeakPolarHBondContact O-CB 3.38Å; T386-L390 PolarHBondContact O-N 2.99Å; I387-L390 CarbonylContact O-C 3.12Å; I387-L390 WeakPolarHBondContact O-CB 3.37Å; I387-L390 PolarHBondContact O-N 3.37Å; T388-L390 VanDerWaalsContact C-N 3.33Å; L390-H392 VanDerWaalsContact C-N 3.31Å; L390-H392 PolarHBondContact O-N 3.32Å; L390-L399 HydrophobicContact CB-CD1 4.36Å; L390-L399 HydrophobicContact CD1-CD2 3.57Å; L390-W450 HydrophobicContact CD2-CH2 4.16Å; L390-L456 HydrophobicContact CD1-CD2 3.66Å; L390-L456 HydrophobicContact CD2-CD2 3.84Å; L390-L456 HydrophobicContact CG-CD2 4.44Å; L390-P457 HydrophobicContact CD2-CG 3.98Å; L390-M460 HydrophobicContact CD1-CE 3.53Å; L390-M460 HydrophobicContact CD1-CG 4.04Å; L390-M460 HydrophobicContact CD1-SD 3.46Å; L390-M460 WeakPolarHBondContact CD1-SD 3.33Å; L390-M460 HydrophobicContact CG-CE 3.93Å; L390-M460 HydrophobicContact CG-SD 4.42Å; L390-M460 WeakPolarHBondContact O-CE 3.43Å |
| 391 | T | 69.9 | Low | 79.1 | Confident | 87 Ų | 87 | 31.2 Ų | 31.2 | 53% | 0.534 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -73.8 | -19.3 | 179.4 | 52.8 | 0 | 0 | 0 | 0 | 114.3 | I387 T388 A389 | I387-T391 WeakPolarHBondContact O-CG2 3.13Å; I387-T391 PolarHBondContact O-N 3Å; I387-T391 PolarHBondContact O-OG1 3.47Å; T388-T391 WeakPolarHBondContact CA-OG1 3Å; T388-T391 PolarHBondContact O-N 3.34Å; T388-T391 PolarHBondContact O-OG1 3.04Å; A389-T391 VanDerWaalsContact C-N 3.32Å; A389-T391 PolarHBondContact O-N 3.14Å |
| 392 | H | 67.1 | Low | 78.9 | Confident | 75 Ų | 75 | 29.2 Ų | 29.2 | 35% | 0.347 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -119.8 | -13.6 | -173 | -67.3 | -59.2 | 0 | 0 | 0 | 114.8 | N300 F302 T388 A389 L390 L394 | N300-H392 PolarHBondContact O-CD2 3.42Å; N300-H392 PolarHBondContact O-NE2 2.92Å; F302-H392 HydrophobicContact CB-CB 4.13Å; F302-H392 HydrophobicContact CD2-CB 4.38Å; T388-H392 PolarHBondContact O-CD2 2.91Å; T388-H392 PolarHBondContact O-N 3.29Å; A389-H392 PolarHBondContact O-N 3.21Å; L390-H392 VanDerWaalsContact C-N 3.31Å; L390-H392 PolarHBondContact O-N 3.32Å; H392-L394 PolarHBondContact O-N 3.41Å |
| 393 | S | 63.4 | Low | 78.8 | Confident | 10 Ų | 10 | 29.3 Ų | 29.3 | 7% | 0.07 | 16% | 0.158 | C | C | . | . | trans | -78 | 126.2 | -176.3 | -63.6 | 0 | 0 | 0 | 0 | 110.7 | A389 | A389-S393 WeakPolarHBondContact O-CA 3.28Å; A389-S393 WeakPolarHBondContact O-CB 3.26Å; A389-S393 PolarHBondContact O-N 3.44Å; A389-S393 PolarHBondContact O-OG 3.13Å | ||
| 394 | L | 62.9 | Low | 78.9 | Confident | 64 Ų | 64 | 29.2 Ų | 29.2 | 34% | 0.335 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -70.9 | -39.5 | 178.8 | -71.7 | 179.5 | 0 | 0 | 0 | 112.5 | H392 E520 | H392-L394 PolarHBondContact O-N 3.41Å; L394-E520 WeakPolarHBondContact CA-OE1 3.48Å; L394-E520 VanDerWaalsContact CA-OE2 3.32Å; L394-E520 WeakPolarHBondContact CA-OE2 3.21Å; L394-E520 WeakPolarHBondContact CB-OE1 3.28Å; L394-E520 HydrophobicContact CD2-CB 3.71Å; L394-E520 HydrophobicContact CD2-CG 3.62Å; L394-E520 WeakPolarHBondContact CD2-OE1 3.27Å; L394-E520 WeakPolarHBondContact CD2-OE2 3.49Å; L394-E520 WeakPolarHBondContact CG-OE1 3.42Å |
| 395 | T | 74.9 | Confident | 79.1 | Confident | 55 Ų | 55 | 28.2 Ų | 28.2 | 34% | 0.337 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -130.3 | 158.3 | -178.3 | 86.2 | 0 | 0 | 0 | 0 | 113 | E397 V398 L399 | T395-E397 VanDerWaalsContact CB-OE2 3.31Å; T395-E397 WeakPolarHBondContact CB-OE2 3.44Å; T395-E397 PolarHBondContact O-N 3.32Å; T395-E397 PolarHBondContact OG1-N 3.14Å; T395-E397 PolarHBondContact OG1-OE2 3.35Å; T395-V398 PolarHBondContact O-N 3.35Å; T395-V398 VanDerWaalsContact O-N 3.14Å; T395-V398 PolarHBondContact OG1-N 3.49Å; T395-L399 PolarHBondContact O-N 3.44Å; T395-L399 VanDerWaalsContact O-N 3.09Å |
| 396 | I | 80.8 | Confident | 79.1 | Confident | 24 Ų | 24 | 28.1 Ų | 28.1 | 12% | 0.123 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.1 | -32.1 | 174.3 | -164.7 | 175.4 | 0 | 0 | 0 | 111.8 | A400 F462 Q466 L467 K470 | I396-A400 WeakPolarHBondContact O-CB 3.33Å; I396-A400 PolarHBondContact O-N 3.3Å; I396-F462 HydrophobicContact CB-CD1 3.81Å; I396-F462 HydrophobicContact CB-CE1 3.84Å; I396-F462 HydrophobicContact CB-CG 4.15Å; I396-F462 HydrophobicContact CB-CZ 4.2Å; I396-F462 HydrophobicContact CD1-CB 3.64Å; I396-F462 HydrophobicContact CD1-CD1 4.08Å; I396-F462 HydrophobicContact CD1-CD2 3.6Å; I396-F462 HydrophobicContact CD1-CE2 4.23Å; I396-F462 HydrophobicContact CD1-CG 3.51Å; I396-F462 HydrophobicContact CG1-CD1 4.03Å; I396-F462 HydrophobicContact CG1-CD2 3.83Å; I396-F462 HydrophobicContact CG1-CE1 4.12Å; I396-F462 HydrophobicContact CG1-CE2 3.94Å; I396-F462 HydrophobicContact CG1-CG 3.87Å; I396-F462 HydrophobicContact CG1-CZ 4.06Å; I396-Q466 HydrophobicContact CD1-CB 3.97Å; I396-L467 HydrophobicContact CD1-CB 4.33Å; I396-L467 HydrophobicContact CG1-CB 4.42Å; I396-L467 HydrophobicContact CG1-CD1 3.9Å; I396-K470 HydrophobicContact CD1-CG 4.02Å; I396-K470 HydrophobicContact CG1-CG 4.19Å; I396-K470 HydrophobicContact CG2-CG 4.31Å |
| 397 | E | 81.6 | Confident | 79.4 | Confident | 67 Ų | 67 | 28 Ų | 28 | 31% | 0.313 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -65.8 | -46.6 | 175.2 | -64.8 | 73.6 | -157.4 | 0 | 0 | 111.8 | T395 L399 A400 I401 K470 F474 | T395-E397 VanDerWaalsContact CB-OE2 3.31Å; T395-E397 WeakPolarHBondContact CB-OE2 3.44Å; T395-E397 PolarHBondContact O-N 3.32Å; T395-E397 PolarHBondContact OG1-N 3.14Å; T395-E397 PolarHBondContact OG1-OE2 3.35Å; E397-L399 VanDerWaalsContact C-N 3.3Å; E397-L399 PolarHBondContact O-N 3.45Å; E397-A400 PolarHBondContact O-N 3.06Å; E397-I401 WeakPolarHBondContact O-CB 3.49Å; E397-I401 VanDerWaalsContact O-CG1 3.24Å; E397-I401 WeakPolarHBondContact O-CG1 3.35Å; E397-I401 PolarHBondContact O-N 3.33Å; E397-K470 IonicContact OE1-NZ 3.76Å; E397-K470 PolarHBondContact OE1-NZ 3.02Å; E397-F474 HydrophobicContact CB-CE2 4.45Å; E397-F474 HydrophobicContact CB-CZ 4.37Å |
| 398 | V | 78.7 | Confident | 79.9 | Confident | 19 Ų | 19 | 25.5 Ų | 25.5 | 12% | 0.115 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.1 | -41.8 | 178.9 | 179 | 0 | 0 | 0 | 0 | 110.5 | V304 T395 S402 | V304-V398 HydrophobicContact CG2-CB 4.44Å; V304-V398 HydrophobicContact CG2-CG1 4.06Å; V304-V398 HydrophobicContact CG2-CG2 3.63Å; T395-V398 PolarHBondContact O-N 3.35Å; T395-V398 VanDerWaalsContact O-N 3.14Å; T395-V398 PolarHBondContact OG1-N 3.49Å; V398-S402 WeakPolarHBondContact O-CB 3.32Å; V398-S402 PolarHBondContact O-N 2.84Å; V398-S402 PolarHBondContact O-OG 3.08Å |
| 399 | L | 82.3 | Confident | 80.6 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.2 | -47.6 | 176 | -178 | 60.1 | 0 | 0 | 0 | 111.8 | A389 L390 T395 E397 I401 S402 I403 F462 L467 | A389-L399 HydrophobicContact CB-CD1 3.61Å; L390-L399 HydrophobicContact CB-CD1 4.36Å; L390-L399 HydrophobicContact CD1-CD2 3.57Å; T395-L399 PolarHBondContact O-N 3.44Å; T395-L399 VanDerWaalsContact O-N 3.09Å; E397-L399 VanDerWaalsContact C-N 3.3Å; E397-L399 PolarHBondContact O-N 3.45Å; L399-I401 PolarHBondContact O-N 3.18Å; L399-S402 PolarHBondContact O-N 3.36Å; L399-I403 HydrophobicContact CD1-CD1 4.04Å; L399-I403 HydrophobicContact CD1-CG1 4.38Å; L399-I403 HydrophobicContact CG-CD1 3.97Å; L399-I403 WeakPolarHBondContact O-CG1 3.42Å; L399-I403 PolarHBondContact O-N 2.76Å; L399-F462 HydrophobicContact CD2-CE2 3.99Å; L399-F462 HydrophobicContact CD2-CZ 3.7Å; L399-L467 HydrophobicContact CB-CD1 4.35Å; L399-L467 HydrophobicContact CD2-CD1 3.87Å; L399-L467 HydrophobicContact CD2-CD2 3.68Å; L399-L467 HydrophobicContact CD2-CG 4.44Å; L399-L467 HydrophobicContact CG-CD1 3.97Å; L399-L467 HydrophobicContact CG-CD2 4.3Å |
| 400 | A | 87.7 | Confident | 81.2 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.9 | -42.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I396 E397 S402 I403 A404 L467 K470 I471 F474 | I396-A400 WeakPolarHBondContact O-CB 3.33Å; I396-A400 PolarHBondContact O-N 3.3Å; E397-A400 PolarHBondContact O-N 3.06Å; A400-S402 VanDerWaalsContact C-N 3.35Å; A400-I403 PolarHBondContact O-N 3.09Å; A400-A404 VanDerWaalsContact O-CB 3.3Å; A400-A404 WeakPolarHBondContact O-CB 3.26Å; A400-A404 PolarHBondContact O-N 3.4Å; A400-L467 HydrophobicContact CB-CD1 4.08Å; A400-K470 HydrophobicContact CB-CB 3.77Å; A400-I471 HydrophobicContact CB-CG1 3.9Å; A400-F474 HydrophobicContact CB-CD2 3.77Å; A400-F474 HydrophobicContact CB-CE2 3.92Å |
| 401 | I | 87.1 | Confident | 81.8 | Confident | 55 Ų | 55 | 26.5 Ų | 26.5 | 28% | 0.282 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -62.3 | -43.7 | 174.4 | -69.3 | 166 | 0 | 0 | 0 | 110.5 | E397 L399 A404 N405 F474 | E397-I401 WeakPolarHBondContact O-CB 3.49Å; E397-I401 VanDerWaalsContact O-CG1 3.24Å; E397-I401 WeakPolarHBondContact O-CG1 3.35Å; E397-I401 PolarHBondContact O-N 3.33Å; L399-I401 PolarHBondContact O-N 3.18Å; I401-A404 PolarHBondContact O-N 2.78Å; I401-N405 WeakPolarHBondContact O-CB 3.47Å; I401-N405 PolarHBondContact O-N 2.99Å; I401-N405 PolarHBondContact O-ND2 3.12Å; I401-F474 HydrophobicContact CD1-CD1 4.44Å; I401-F474 HydrophobicContact CD1-CE1 3.69Å; I401-F474 HydrophobicContact CD1-CE2 4.18Å; I401-F474 HydrophobicContact CD1-CZ 3.54Å; I401-F474 HydrophobicContact CG1-CD1 3.76Å; I401-F474 HydrophobicContact CG1-CD2 3.85Å; I401-F474 HydrophobicContact CG1-CE1 3.46Å; I401-F474 VanDerWaalsContact CG1-CE1 3.46Å; I401-F474 HydrophobicContact CG1-CE2 3.56Å; I401-F474 HydrophobicContact CG1-CG 3.95Å; I401-F474 HydrophobicContact CG1-CZ 3.36Å |
| 402 | S | 83.1 | Confident | 82.8 | Confident | 13 Ų | 13 | 28.5 Ų | 28.5 | 9% | 0.091 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.2 | -47.7 | 179.6 | -61.4 | 0 | 0 | 0 | 0 | 111.2 | V398 L399 A400 A404 N405 F406 | V398-S402 WeakPolarHBondContact O-CB 3.32Å; V398-S402 PolarHBondContact O-N 2.84Å; V398-S402 PolarHBondContact O-OG 3.08Å; L399-S402 PolarHBondContact O-N 3.36Å; A400-S402 VanDerWaalsContact C-N 3.35Å; S402-A404 PolarHBondContact O-N 3.39Å; S402-N405 PolarHBondContact O-N 3.01Å; S402-F406 WeakPolarHBondContact O-CD2 3.32Å; S402-F406 WeakPolarHBondContact O-CE2 3.4Å; S402-F406 PolarHBondContact O-N 3.44Å |
| 403 | I | 86.8 | Confident | 84 | Confident | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.1 | -43.9 | 176.3 | -65.3 | 165.9 | 0 | 0 | 0 | 111 | T386 L399 A400 N405 F406 C407 P447 L467 I471 | T386-I403 HydrophobicContact CG2-CD1 3.89Å; T386-I403 HydrophobicContact CG2-CG1 4.1Å; L399-I403 HydrophobicContact CD1-CD1 4.04Å; L399-I403 HydrophobicContact CD1-CG1 4.38Å; L399-I403 HydrophobicContact CG-CD1 3.97Å; L399-I403 WeakPolarHBondContact O-CG1 3.42Å; L399-I403 PolarHBondContact O-N 2.76Å; A400-I403 PolarHBondContact O-N 3.09Å; I403-N405 VanDerWaalsContact C-N 3.34Å; I403-N405 PolarHBondContact O-N 3.25Å; I403-F406 PolarHBondContact O-N 3.37Å; I403-C407 PolarHBondContact O-N 2.94Å; I403-C407 PolarHBondContact O-SG 3.34Å; I403-C407 VanDerWaalsContact O-SG 3.36Å; I403-P447 HydrophobicContact CG2-CB 3.89Å; I403-P447 HydrophobicContact CG2-CG 3.91Å; I403-L467 HydrophobicContact CD1-CD1 4.49Å; I403-L467 HydrophobicContact CD1-CD2 4.16Å; I403-I471 HydrophobicContact CB-CD1 4.33Å; I403-I471 HydrophobicContact CD1-CD1 3.87Å; I403-I471 HydrophobicContact CG2-CD1 3.98Å; I403-I471 HydrophobicContact CG2-CG1 4.49Å |
| 404 | A | 88.4 | Confident | 85.4 | Confident | 2 Ų | 2 | 25.4 Ų | 25.4 | 2% | 0.017 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.8 | -44.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.1 | A400 I401 S402 F406 C407 V408 F474 | A400-A404 VanDerWaalsContact O-CB 3.3Å; A400-A404 WeakPolarHBondContact O-CB 3.26Å; A400-A404 PolarHBondContact O-N 3.4Å; I401-A404 PolarHBondContact O-N 2.78Å; S402-A404 PolarHBondContact O-N 3.39Å; A404-F406 PolarHBondContact O-N 3.27Å; A404-F406 VanDerWaalsContact O-N 3.1Å; A404-C407 PolarHBondContact O-N 3.49Å; A404-V408 HydrophobicContact CB-CG2 4.07Å; A404-V408 WeakPolarHBondContact O-CG2 3.36Å; A404-V408 PolarHBondContact O-N 3.21Å; A404-F474 HydrophobicContact CB-CB 4.26Å |
| 405 | N | 88 | Confident | 86.8 | Confident | 21 Ų | 21 | 26.2 Ų | 26.2 | 11% | 0.112 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -55.7 | -32.5 | 179.9 | -73.9 | -26.4 | 0 | 0 | 0 | 112.7 | F345 P346 I401 S402 I403 R478 | F345-N405 VanDerWaalsContact CD1-O 3.23Å; F345-N405 WeakPolarHBondContact CD1-O 3.35Å; F345-N405 WeakPolarHBondContact CE1-O 3.41Å; P346-N405 HydrophobicContact CB-CB 4.36Å; I401-N405 WeakPolarHBondContact O-CB 3.47Å; I401-N405 PolarHBondContact O-N 2.99Å; I401-N405 PolarHBondContact O-ND2 3.12Å; S402-N405 PolarHBondContact O-N 3.01Å; I403-N405 VanDerWaalsContact C-N 3.34Å; I403-N405 PolarHBondContact O-N 3.25Å; N405-R478 PolarHBondContact OD1-NH1 3.29Å |
| 406 | F | 86.7 | Confident | 87.7 | Confident | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.009 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -81.8 | -21.4 | 178.6 | -50.8 | -47.6 | 0 | 0 | 0 | 114.6 | F302 P342 F345 F385 S402 I403 A404 | F302-F406 AromaticContact CE1-CZ 3.9Å; F302-F406 HydrophobicContact CE1-CZ 3.9Å; F302-F406 HydrophobicContact CZ-CZ 4.23Å; P342-F406 HydrophobicContact CB-CE1 3.62Å; P342-F406 HydrophobicContact CB-CZ 3.71Å; F345-F406 HydrophobicContact CB-CE1 4.42Å; F345-F406 HydrophobicContact CD1-CD1 4.15Å; F345-F406 HydrophobicContact CG-CD1 4.43Å; F385-F406 HydrophobicContact CB-CD2 4.01Å; F385-F406 HydrophobicContact CB-CE2 3.64Å; F385-F406 HydrophobicContact CB-CZ 4.03Å; F385-F406 HydrophobicContact CD2-CD1 4.09Å; F385-F406 HydrophobicContact CD2-CD2 4.37Å; F385-F406 HydrophobicContact CD2-CE1 4.09Å; F385-F406 HydrophobicContact CD2-CE2 4.36Å; F385-F406 HydrophobicContact CD2-CG 4.26Å; F385-F406 HydrophobicContact CD2-CZ 4.23Å; F385-F406 HydrophobicContact CG-CE2 4.43Å; F385-F406 HydrophobicContact CG-CZ 4.42Å; S402-F406 WeakPolarHBondContact O-CD2 3.32Å; S402-F406 WeakPolarHBondContact O-CE2 3.4Å; S402-F406 PolarHBondContact O-N 3.44Å; I403-F406 PolarHBondContact O-N 3.37Å; A404-F406 PolarHBondContact O-N 3.27Å; A404-F406 VanDerWaalsContact O-N 3.1Å |
| 407 | C | 88.7 | Confident | 88.3 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -112.5 | -18.3 | -168.3 | -57.9 | 0 | 0 | 0 | 0 | 113.7 | I403 A404 L444 | I403-C407 PolarHBondContact O-N 2.94Å; I403-C407 PolarHBondContact O-SG 3.34Å; I403-C407 VanDerWaalsContact O-SG 3.36Å; A404-C407 PolarHBondContact O-N 3.49Å; C407-L444 HydrophobicContact CB-CB 4.11Å; C407-L444 HydrophobicContact CB-CD1 4.03Å |
| 408 | V | 90.1 | Very high | 88.9 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.006 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -130.9 | 178.8 | -179.3 | -64.3 | 0 | 0 | 0 | 0 | 111.7 | Y375 A404 I475 R478 I479 F488 | Y375-V408 PolarHBondContact OH-O 3.42Å; A404-V408 HydrophobicContact CB-CG2 4.07Å; A404-V408 WeakPolarHBondContact O-CG2 3.36Å; A404-V408 PolarHBondContact O-N 3.21Å; V408-I475 HydrophobicContact CG1-CG1 4.17Å; V408-R478 HydrophobicContact CB-CB 4.28Å; V408-R478 HydrophobicContact CG2-CB 3.71Å; V408-R478 HydrophobicContact CG2-CG 4.1Å; V408-I479 HydrophobicContact CG1-CD1 4.3Å; V408-F488 HydrophobicContact CG1-CE1 4.03Å |
| 409 | L | 90.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | -66.3 | 147.2 | -178.9 | -61.2 | 175.6 | 0 | 0 | 0 | 111.6 | M413 I417 L436 M437 L440 R478 P480 | L409-M413 HydrophobicContact CB-CB 4.17Å; L409-M413 HydrophobicContact CD2-CB 4.29Å; L409-M413 HydrophobicContact CD2-CE 3.86Å; L409-M413 HydrophobicContact CD2-SD 4.4Å; L409-I417 HydrophobicContact CD1-CB 4Å; L409-I417 HydrophobicContact CD1-CG1 4.11Å; L409-I417 HydrophobicContact CD1-CG2 4.04Å; L409-I417 HydrophobicContact CD2-CG1 4.28Å; L409-L436 HydrophobicContact CD2-CD2 4.45Å; L409-M437 HydrophobicContact CD1-SD 4.15Å; L409-L440 HydrophobicContact CD2-CD1 3.55Å; L409-L440 HydrophobicContact CG-CD1 3.82Å; L409-R478 PolarHBondContact O-NH1 3.02Å; L409-P480 HydrophobicContact CD1-CG 4.34Å | ||
| 410 | S | 90.5 | Very high | 90.1 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.014 | 13% | 0.131 | C | C | . | . | trans | -65.7 | 158.9 | 165 | 86.1 | 0 | 0 | 0 | 0 | 110.1 | D350 K412 M413 | D350-S410 WeakPolarHBondContact OD1-CB 3.46Å; D350-S410 PolarHBondContact OD1-OG 3.47Å; S410-K412 PolarHBondContact O-N 3.37Å; S410-M413 PolarHBondContact O-N 3.26Å; S410-M413 VanDerWaalsContact O-N 3.15Å; S410-M413 WeakPolarHBondContact OG-CG 3.43Å | ||
| 411 | P | 87.5 | Confident | 90.3 | Very high | 57 Ų | 57 | 27.1 Ų | 27.1 | 37% | 0.37 | 13% | 0.134 | S | C | . | . | G | 310 helix | trans | -57.2 | -39.1 | -176.7 | -15.1 | 26.3 | 0 | 0 | 0 | 112.3 | D350 M413 I414 R478 | D350-P411 WeakPolarHBondContact OD1-CD 3.32Å; P411-M413 VanDerWaalsContact C-N 3.33Å; P411-M413 PolarHBondContact O-N 2.98Å; P411-I414 WeakPolarHBondContact O-CD1 3.38Å; P411-I414 WeakPolarHBondContact O-CG1 3.38Å; P411-I414 PolarHBondContact O-N 3.12Å; P411-R478 VanDerWaalsContact CD-CZ 3.44Å |
| 412 | K | 90.8 | Very high | 90.4 | Very high | 130 Ų | 130 | 30.1 Ų | 30.1 | 57% | 0.565 | 15% | 0.147 | S | C | * | . | G | 310 helix | trans | -76.9 | -19.5 | -176 | -59.8 | -170.9 | -172.9 | 176.9 | 0 | 113.5 | D350 A353 S410 I414 P416 | D350-K412 HydrophobicContact CB-CB 4.47Å; D350-K412 HydrophobicContact CB-CD 3.89Å; D350-K412 HydrophobicContact CB-CG 4.32Å; D350-K412 WeakPolarHBondContact OD1-CB 3.36Å; D350-K412 WeakPolarHBondContact OD1-CG 3.06Å; D350-K412 PolarHBondContact OD1-N 3.17Å; A353-K412 HydrophobicContact CB-CB 3.52Å; A353-K412 WeakPolarHBondContact CB-O 3.4Å; S410-K412 PolarHBondContact O-N 3.37Å; K412-I414 VanDerWaalsContact C-N 3.32Å; K412-P416 VanDerWaalsContact O-CD 3.29Å; K412-P416 WeakPolarHBondContact O-CD 3.33Å |
| 413 | M | 93 | Very high | 90.7 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -78.6 | -15.4 | 177.8 | -72.2 | 177.1 | 77.1 | 0 | 0 | 113.4 | L349 A353 L356 V371 L409 S410 P411 D415 P416 I417 | L349-M413 HydrophobicContact CB-SD 3.73Å; L349-M413 HydrophobicContact CD1-SD 3.92Å; L349-M413 HydrophobicContact CD2-SD 4.17Å; L349-M413 HydrophobicContact CG-SD 4.17Å; A353-M413 HydrophobicContact CB-CG 4.09Å; L356-M413 HydrophobicContact CD1-CE 3.52Å; L356-M413 HydrophobicContact CD1-CG 3.91Å; L356-M413 HydrophobicContact CD1-SD 4.34Å; V371-M413 HydrophobicContact CG1-CE 3.89Å; V371-M413 HydrophobicContact CG2-CE 4.4Å; L409-M413 HydrophobicContact CB-CB 4.17Å; L409-M413 HydrophobicContact CD2-CB 4.29Å; L409-M413 HydrophobicContact CD2-CE 3.86Å; L409-M413 HydrophobicContact CD2-SD 4.4Å; S410-M413 PolarHBondContact O-N 3.26Å; S410-M413 VanDerWaalsContact O-N 3.15Å; S410-M413 WeakPolarHBondContact OG-CG 3.43Å; P411-M413 VanDerWaalsContact C-N 3.33Å; P411-M413 PolarHBondContact O-N 2.98Å; M413-D415 PolarHBondContact O-N 3.28Å; M413-P416 WeakPolarHBondContact O-CD 3.04Å; M413-I417 WeakPolarHBondContact O-CB 3.23Å; M413-I417 VanDerWaalsContact O-CG1 3.26Å; M413-I417 WeakPolarHBondContact O-CG1 3.5Å; M413-I417 PolarHBondContact O-N 3.05Å; M413-I417 VanDerWaalsContact O-N 3.17Å |
| 414 | I | 93.3 | Very high | 90.7 | Very high | 19 Ų | 19 | 38.4 Ų | 38.4 | 10% | 0.097 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.1 | -51.8 | -173.2 | -59.9 | 170.6 | 0 | 0 | 0 | 111.1 | P411 K412 I417 R418 E477 P480 | P411-I414 WeakPolarHBondContact O-CD1 3.38Å; P411-I414 WeakPolarHBondContact O-CG1 3.38Å; P411-I414 PolarHBondContact O-N 3.12Å; K412-I414 VanDerWaalsContact C-N 3.32Å; I414-I417 PolarHBondContact O-N 3.22Å; I414-R418 WeakPolarHBondContact O-CB 3.48Å; I414-R418 PolarHBondContact O-N 3.18Å; I414-E477 WeakPolarHBondContact CD1-O 3.26Å; I414-P480 HydrophobicContact CG2-CB 4.14Å |
| 415 | D | 92.9 | Very high | 90.5 | Very high | 81 Ų | 81 | 47 Ų | 47 | 43% | 0.433 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.6 | -49.1 | -176.3 | -67.5 | -28.9 | 0 | 0 | 0 | 112.7 | M413 I417 R418 I419 | M413-D415 PolarHBondContact O-N 3.28Å; D415-I417 VanDerWaalsContact C-N 3.3Å; D415-I417 PolarHBondContact O-N 3.27Å; D415-R418 WeakPolarHBondContact O-CB 3.34Å; D415-R418 PolarHBondContact O-N 3.05Å; D415-I419 WeakPolarHBondContact O-CG1 3.13Å; D415-I419 PolarHBondContact O-N 3.42Å |
| 416 | P | 93.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -52.7 | -45.1 | 173.9 | -26.2 | 30.9 | 0 | 0 | 0 | 113.5 | A353 L356 Y357 K412 M413 I419 A420 | A353-P416 WeakPolarHBondContact O-CG 3.28Å; L356-P416 HydrophobicContact CB-CB 3.83Å; L356-P416 HydrophobicContact CB-CG 4.45Å; Y357-P416 HydrophobicContact CD2-CB 4.36Å; Y357-P416 HydrophobicContact CD2-CG 4Å; Y357-P416 HydrophobicContact CE2-CG 3.81Å; K412-P416 VanDerWaalsContact O-CD 3.29Å; K412-P416 WeakPolarHBondContact O-CD 3.33Å; M413-P416 WeakPolarHBondContact O-CD 3.04Å; P416-I419 PolarHBondContact O-N 3.07Å; P416-A420 WeakPolarHBondContact O-CB 3.28Å; P416-A420 PolarHBondContact O-N 3.05Å |
| 417 | I | 94 | Very high | 90.7 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -73.7 | -35.2 | -178.5 | -61.6 | -59.7 | 0 | 0 | 0 | 111.8 | I368 L409 M413 I414 D415 I419 A420 L421 L436 M437 P480 | I368-I417 HydrophobicContact CD1-CD1 4.06Å; L409-I417 HydrophobicContact CD1-CB 4Å; L409-I417 HydrophobicContact CD1-CG1 4.11Å; L409-I417 HydrophobicContact CD1-CG2 4.04Å; L409-I417 HydrophobicContact CD2-CG1 4.28Å; M413-I417 WeakPolarHBondContact O-CB 3.23Å; M413-I417 VanDerWaalsContact O-CG1 3.26Å; M413-I417 WeakPolarHBondContact O-CG1 3.5Å; M413-I417 PolarHBondContact O-N 3.05Å; M413-I417 VanDerWaalsContact O-N 3.17Å; I414-I417 PolarHBondContact O-N 3.22Å; D415-I417 VanDerWaalsContact C-N 3.3Å; D415-I417 PolarHBondContact O-N 3.27Å; I417-I419 VanDerWaalsContact C-N 3.33Å; I417-I419 PolarHBondContact O-N 3.09Å; I417-A420 PolarHBondContact O-N 2.88Å; I417-L421 HydrophobicContact CG2-CD1 4.27Å; I417-L421 HydrophobicContact CG2-CG 4.44Å; I417-L421 WeakPolarHBondContact O-CG 3.17Å; I417-L421 PolarHBondContact O-N 2.95Å; I417-L436 HydrophobicContact CD1-CD2 4.01Å; I417-M437 HydrophobicContact CG2-SD 4.11Å; I417-P480 HydrophobicContact CG2-CG 4.28Å |
| 418 | R | 93.9 | Very high | 90.8 | Very high | 101 Ų | 101 | 54.2 Ų | 54.2 | 38% | 0.381 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57.6 | -47.3 | 172.8 | -176 | -174.2 | -66.2 | 171.7 | 5.9 | 111 | I414 D415 A420 L421 Q422 P480 | I414-R418 WeakPolarHBondContact O-CB 3.48Å; I414-R418 PolarHBondContact O-N 3.18Å; D415-R418 WeakPolarHBondContact O-CB 3.34Å; D415-R418 PolarHBondContact O-N 3.05Å; R418-A420 VanDerWaalsContact C-N 3.32Å; R418-L421 PolarHBondContact O-N 3.11Å; R418-Q422 PolarHBondContact O-N 2.94Å; R418-P480 HydrophobicContact CB-CB 3.72Å; R418-P480 HydrophobicContact CG-CB 4.35Å; R418-P480 PolarHBondContact NE-O 3.38Å; R418-P480 PolarHBondContact NH2-O 3.17Å |
| 419 | I | 92.4 | Very high | 90.9 | Very high | 72 Ų | 72 | 54.2 Ų | 54.2 | 37% | 0.369 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.5 | -39.3 | 178.2 | -59.2 | 166.7 | 0 | 0 | 0 | 109.9 | Y357 P358 D415 P416 I417 L421 Q422 Y423 | Y357-I419 HydrophobicContact CD1-CD1 3.94Å; Y357-I419 HydrophobicContact CE1-CD1 3.61Å; P358-I419 HydrophobicContact CG-CB 4Å; P358-I419 HydrophobicContact CG-CG2 3.54Å; D415-I419 WeakPolarHBondContact O-CG1 3.13Å; D415-I419 PolarHBondContact O-N 3.42Å; P416-I419 PolarHBondContact O-N 3.07Å; I417-I419 VanDerWaalsContact C-N 3.33Å; I417-I419 PolarHBondContact O-N 3.09Å; I419-L421 PolarHBondContact O-N 3.13Å; I419-Q422 CarbonylContact O-C 3.48Å; I419-Q422 VanDerWaalsContact O-C 3.29Å; I419-Q422 PolarHBondContact O-N 2.88Å; I419-Q422 VanDerWaalsContact O-N 3.12Å; I419-Y423 PolarHBondContact O-N 3.32Å |
| 420 | A | 92.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.9 | -38.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | P358 W364 P416 I417 R418 Q422 Y423 V429 K430 A433 | P358-A420 HydrophobicContact CB-CB 3.96Å; P358-A420 HydrophobicContact CG-CB 4.23Å; W364-A420 HydrophobicContact CZ2-CB 4.1Å; P416-A420 WeakPolarHBondContact O-CB 3.28Å; P416-A420 PolarHBondContact O-N 3.05Å; I417-A420 PolarHBondContact O-N 2.88Å; R418-A420 VanDerWaalsContact C-N 3.32Å; A420-Q422 PolarHBondContact O-N 3.47Å; A420-Y423 VanDerWaalsContact O-CB 3.26Å; A420-Y423 WeakPolarHBondContact O-CB 3.44Å; A420-Y423 PolarHBondContact O-N 3.18Å; A420-V429 HydrophobicContact CB-CG1 4.2Å; A420-K430 WeakPolarHBondContact O-CA 3.45Å; A420-A433 HydrophobicContact CB-CB 3.77Å |
| 421 | L | 91.8 | Very high | 91 | Very high | 12 Ų | 12 | 62.7 Ų | 62.7 | 6% | 0.063 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.9 | -23.6 | 175.3 | -71.7 | 168.1 | 0 | 0 | 0 | 113.3 | I417 R418 I419 K430 A433 M437 P480 | I417-L421 HydrophobicContact CG2-CD1 4.27Å; I417-L421 HydrophobicContact CG2-CG 4.44Å; I417-L421 WeakPolarHBondContact O-CG 3.17Å; I417-L421 PolarHBondContact O-N 2.95Å; R418-L421 PolarHBondContact O-N 3.11Å; I419-L421 PolarHBondContact O-N 3.13Å; L421-K430 WeakPolarHBondContact O-CE 3.31Å; L421-A433 HydrophobicContact CD2-CB 3.87Å; L421-A433 HydrophobicContact CG-CB 4.1Å; L421-M437 HydrophobicContact CD1-CG 4.16Å; L421-M437 HydrophobicContact CD2-CG 4.29Å; L421-P480 HydrophobicContact CD1-CB 4.37Å; L421-P480 HydrophobicContact CD1-CG 3.73Å |
| 422 | Q | 90.4 | Very high | 91.2 | Very high | 118 Ų | 118 | 61.4 Ų | 61.4 | 55% | 0.551 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | 17.5 | 178.9 | -60.8 | 177.5 | 0.5 | 0 | 0 | 111.6 | R418 I419 A420 D424 | R418-Q422 PolarHBondContact O-N 2.94Å; I419-Q422 CarbonylContact O-C 3.48Å; I419-Q422 VanDerWaalsContact O-C 3.29Å; I419-Q422 PolarHBondContact O-N 2.88Å; I419-Q422 VanDerWaalsContact O-N 3.12Å; A420-Q422 PolarHBondContact O-N 3.47Å; Q422-D424 PolarHBondContact O-N 3.4Å |
| 423 | Y | 89.6 | Confident | 91.4 | Very high | 40 Ų | 40 | 55.2 Ų | 55.2 | 16% | 0.157 | 27% | 0.273 | C | S | . | . | trans | -79.2 | 91.5 | -173.4 | -160.6 | -105.9 | 0 | 0 | 0 | 111.2 | P358 I419 A420 K425 V429 | P358-Y423 HydrophobicContact CB-CD2 3.61Å; P358-Y423 HydrophobicContact CB-CE2 3.8Å; P358-Y423 HydrophobicContact CB-CG 4.03Å; P358-Y423 HydrophobicContact CG-CD2 3.56Å; P358-Y423 HydrophobicContact CG-CE2 3.84Å; P358-Y423 HydrophobicContact CG-CG 4.37Å; P358-Y423 WeakPolarHBondContact O-CE2 3.09Å; P358-Y423 PolarHBondContact O-OH 3.48Å; I419-Y423 PolarHBondContact O-N 3.32Å; A420-Y423 VanDerWaalsContact O-CB 3.26Å; A420-Y423 WeakPolarHBondContact O-CB 3.44Å; A420-Y423 PolarHBondContact O-N 3.18Å; Y423-K425 HydrophobicContact CD1-CB 4.1Å; Y423-K425 HydrophobicContact CE1-CB 3.62Å; Y423-K425 PolarHBondContact O-N 3.23Å; Y423-V429 HydrophobicContact CD1-CB 3.84Å; Y423-V429 HydrophobicContact CD1-CG1 3.77Å; Y423-V429 HydrophobicContact CD1-CG2 4.12Å; Y423-V429 HydrophobicContact CE1-CB 4.46Å; Y423-V429 HydrophobicContact CE1-CG1 4.46Å; Y423-V429 HydrophobicContact CE1-CG2 4.25Å; Y423-V429 HydrophobicContact CG-CB 4.44Å; Y423-V429 HydrophobicContact CG-CG1 3.92Å | ||
| 424 | D | 85.8 | Confident | 91.4 | Very high | 148 Ų | 148 | 56.4 Ų | 56.4 | 79% | 0.791 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -19.5 | -175.6 | -63.8 | -35.5 | 0 | 0 | 0 | 113.6 | Q422 S426 | Q422-D424 PolarHBondContact O-N 3.4Å; D424-S426 PolarHBondContact O-N 2.87Å |
| 425 | K | 85.3 | Confident | 91.5 | Very high | 181 Ų | 181 | 59.5 Ų | 59.5 | 79% | 0.787 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -23 | -176.7 | -63.7 | -179.4 | 178.7 | -178.2 | 0 | 113.9 | Y423 | Y423-K425 HydrophobicContact CD1-CB 4.1Å; Y423-K425 HydrophobicContact CE1-CB 3.62Å; Y423-K425 PolarHBondContact O-N 3.23Å |
| 426 | S | 89 | Confident | 91.5 | Very high | 7 Ų | 7 | 55.6 Ų | 55.6 | 5% | 0.049 | 27% | 0.273 | C | S | . | . | trans | -148.3 | 118.3 | -176.9 | -179.8 | 0 | 0 | 0 | 0 | 110.8 | D360 D424 D428 K430 | D360-S426 WeakPolarHBondContact OD2-CB 3.48Å; D360-S426 PolarHBondContact OD2-OG 3.2Å; D424-S426 PolarHBondContact O-N 2.87Å; S426-D428 PolarHBondContact O-N 2.93Å; S426-K430 PolarHBondContact O-N 3.02Å | ||
| 427 | S | 88.9 | Confident | 91.5 | Very high | 78 Ų | 78 | 55.6 Ų | 55.6 | 55% | 0.545 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62 | -31.8 | 175 | 50.8 | 0 | 0 | 0 | 0 | 112.1 | K430 N431 | S427-K430 PolarHBondContact O-N 3.22Å; S427-N431 VanDerWaalsContact O-CB 3.31Å; S427-N431 WeakPolarHBondContact O-CB 3.47Å; S427-N431 PolarHBondContact O-N 2.97Å; S427-N431 PolarHBondContact O-ND2 3.27Å; S427-N431 VanDerWaalsContact O-ND2 3.17Å |
| 428 | D | 91.1 | Very high | 91.6 | Very high | 91 Ų | 91 | 62 Ų | 62 | 49% | 0.487 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -73 | -42.2 | -173.6 | -63.2 | -22.8 | 0 | 0 | 0 | 111.5 | F365 S426 K430 N431 K432 | F365-D428 HydrophobicContact CE1-CB 4.21Å; F365-D428 HydrophobicContact CZ-CB 3.9Å; S426-D428 PolarHBondContact O-N 2.93Å; D428-K430 VanDerWaalsContact C-N 3.31Å; D428-K430 PolarHBondContact O-N 3.1Å; D428-N431 PolarHBondContact O-N 3.36Å; D428-K432 WeakPolarHBondContact O-CB 3.06Å; D428-K432 PolarHBondContact O-N 3.3Å |
| 429 | V | 91.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -55.8 | -48.4 | 171.3 | 171.8 | 0 | 0 | 0 | 0 | 110.5 | P358 D360 W364 F365 A420 Y423 K432 A433 | P358-V429 HydrophobicContact CB-CG1 3.7Å; D360-V429 HydrophobicContact CB-CG2 4.45Å; W364-V429 HydrophobicContact CE3-CG2 4.2Å; W364-V429 HydrophobicContact CH2-CB 4.2Å; W364-V429 HydrophobicContact CH2-CG1 3.58Å; W364-V429 HydrophobicContact CH2-CG2 4.47Å; W364-V429 HydrophobicContact CZ2-CG1 3.93Å; W364-V429 HydrophobicContact CZ3-CB 4.12Å; W364-V429 HydrophobicContact CZ3-CG1 3.96Å; W364-V429 HydrophobicContact CZ3-CG2 3.99Å; F365-V429 HydrophobicContact CZ-CG2 4Å; A420-V429 HydrophobicContact CB-CG1 4.2Å; Y423-V429 HydrophobicContact CD1-CB 3.84Å; Y423-V429 HydrophobicContact CD1-CG1 3.77Å; Y423-V429 HydrophobicContact CD1-CG2 4.12Å; Y423-V429 HydrophobicContact CE1-CB 4.46Å; Y423-V429 HydrophobicContact CE1-CG1 4.46Å; Y423-V429 HydrophobicContact CE1-CG2 4.25Å; Y423-V429 HydrophobicContact CG-CB 4.44Å; Y423-V429 HydrophobicContact CG-CG1 3.92Å; V429-K432 PolarHBondContact O-N 3.23Å; V429-A433 WeakPolarHBondContact O-CB 3.2Å; V429-A433 PolarHBondContact O-N 3.26Å |
| 430 | K | 90.7 | Very high | 91.6 | Very high | 89 Ų | 89 | 56 Ų | 56 | 39% | 0.387 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 178.7 | -177.5 | 174.7 | -175.8 | 173.2 | 0 | 112.1 | A420 L421 S426 S427 D428 K432 A433 T434 | A420-K430 WeakPolarHBondContact O-CA 3.45Å; L421-K430 WeakPolarHBondContact O-CE 3.31Å; S426-K430 PolarHBondContact O-N 3.02Å; S427-K430 PolarHBondContact O-N 3.22Å; D428-K430 VanDerWaalsContact C-N 3.31Å; D428-K430 PolarHBondContact O-N 3.1Å; K430-K432 VanDerWaalsContact C-N 3.31Å; K430-K432 PolarHBondContact O-N 2.62Å; K430-A433 PolarHBondContact O-N 3.14Å; K430-T434 WeakPolarHBondContact O-CB 3.29Å; K430-T434 PolarHBondContact O-N 3.07Å; K430-T434 PolarHBondContact O-OG1 3.43Å |
| 431 | N | 92.7 | Very high | 91.6 | Very high | 92 Ų | 92 | 58.3 Ų | 58.3 | 49% | 0.492 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 178.1 | -74.4 | -24.3 | 0 | 0 | 0 | 111 | S427 D428 T434 E435 | S427-N431 VanDerWaalsContact O-CB 3.31Å; S427-N431 WeakPolarHBondContact O-CB 3.47Å; S427-N431 PolarHBondContact O-N 2.97Å; S427-N431 PolarHBondContact O-ND2 3.27Å; S427-N431 VanDerWaalsContact O-ND2 3.17Å; D428-N431 PolarHBondContact O-N 3.36Å; N431-T434 WeakPolarHBondContact O-CB 3.18Å; N431-T434 PolarHBondContact O-N 3.44Å; N431-E435 PolarHBondContact O-N 3.4Å |
| 432 | K | 93 | Very high | 91.5 | Very high | 30 Ų | 30 | 63 Ų | 63 | 13% | 0.13 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.9 | -43.1 | 179.8 | -158.8 | 73.5 | -167.5 | 166.4 | 0 | 113 | W364 F365 I368 E369 F372 D428 V429 K430 T434 E435 L436 | W364-K432 HydrophobicContact CZ3-CB 4.36Å; F365-K432 HydrophobicContact CE1-CB 4.48Å; I368-K432 HydrophobicContact CG2-CG 3.56Å; E369-K432 WeakPolarHBondContact OE1-CE 3.2Å; E369-K432 IonicContact OE1-NZ 3Å; E369-K432 PolarHBondContact OE1-NZ 3.3Å; F372-K432 HydrophobicContact CE2-CD 4.4Å; F372-K432 HydrophobicContact CE2-CG 4.32Å; D428-K432 WeakPolarHBondContact O-CB 3.06Å; D428-K432 PolarHBondContact O-N 3.3Å; V429-K432 PolarHBondContact O-N 3.23Å; K430-K432 VanDerWaalsContact C-N 3.31Å; K430-K432 PolarHBondContact O-N 2.62Å; K432-T434 VanDerWaalsContact C-N 3.27Å; K432-T434 PolarHBondContact O-N 3.45Å; K432-E435 WeakPolarHBondContact CD-OE2 3.4Å; K432-E435 WeakPolarHBondContact CE-OE2 3.29Å; K432-E435 IonicContact NZ-OE1 2.85Å; K432-E435 IonicContact NZ-OE2 2.98Å; K432-E435 PolarHBondContact NZ-OE2 2.83Å; K432-E435 WeakPolarHBondContact O-CB 3.48Å; K432-E435 PolarHBondContact O-N 2.94Å; K432-L436 PolarHBondContact O-N 3.39Å |
| 433 | A | 93.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.4 | -39.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A420 L421 V429 K430 L436 M437 | A420-A433 HydrophobicContact CB-CB 3.77Å; L421-A433 HydrophobicContact CD2-CB 3.87Å; L421-A433 HydrophobicContact CG-CB 4.1Å; V429-A433 WeakPolarHBondContact O-CB 3.2Å; V429-A433 PolarHBondContact O-N 3.26Å; K430-A433 PolarHBondContact O-N 3.14Å; A433-L436 PolarHBondContact O-N 3.19Å; A433-M437 WeakPolarHBondContact O-CG 3.36Å; A433-M437 PolarHBondContact O-N 2.88Å; A433-M437 VanDerWaalsContact O-N 3.12Å |
| 434 | T | 93.2 | Very high | 91.7 | Very high | 24 Ų | 24 | 55.7 Ų | 55.7 | 15% | 0.147 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 176.1 | -53.9 | 0 | 0 | 0 | 0 | 111.3 | K430 N431 K432 M437 R438 W484 | K430-T434 WeakPolarHBondContact O-CB 3.29Å; K430-T434 PolarHBondContact O-N 3.07Å; K430-T434 PolarHBondContact O-OG1 3.43Å; N431-T434 WeakPolarHBondContact O-CB 3.18Å; N431-T434 PolarHBondContact O-N 3.44Å; K432-T434 VanDerWaalsContact C-N 3.27Å; K432-T434 PolarHBondContact O-N 3.45Å; T434-M437 PolarHBondContact O-N 3.42Å; T434-R438 VanDerWaalsContact CG2-CZ 3.44Å; T434-R438 VanDerWaalsContact CG2-NH2 3.3Å; T434-R438 WeakPolarHBondContact O-CG 3.36Å; T434-R438 PolarHBondContact O-N 2.78Å; T434-W484 HydrophobicContact CG2-CH2 4.49Å; T434-W484 HydrophobicContact CG2-CZ2 3.76Å |
| 435 | E | 94.8 | Very high | 91.9 | Very high | 84 Ų | 84 | 52 Ų | 52 | 39% | 0.393 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.6 | -43.6 | 173.6 | -170.1 | -171.4 | 167.7 | 0 | 0 | 111.9 | F372 N431 K432 M437 R438 Y439 | F372-E435 HydrophobicContact CE1-CG 4.21Å; F372-E435 HydrophobicContact CZ-CB 3.98Å; F372-E435 HydrophobicContact CZ-CG 3.83Å; N431-E435 PolarHBondContact O-N 3.4Å; K432-E435 WeakPolarHBondContact CD-OE2 3.4Å; K432-E435 WeakPolarHBondContact CE-OE2 3.29Å; K432-E435 IonicContact NZ-OE1 2.85Å; K432-E435 IonicContact NZ-OE2 2.98Å; K432-E435 PolarHBondContact NZ-OE2 2.83Å; K432-E435 WeakPolarHBondContact O-CB 3.48Å; K432-E435 PolarHBondContact O-N 2.94Å; E435-M437 VanDerWaalsContact C-N 3.34Å; E435-M437 PolarHBondContact O-N 2.82Å; E435-R438 WeakPolarHBondContact O-CB 3.44Å; E435-R438 PolarHBondContact O-N 3.38Å; E435-R438 VanDerWaalsContact O-N 3.15Å; E435-Y439 PolarHBondContact O-N 2.7Å |
| 436 | L | 94.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.9 | -46.4 | 178.9 | 178.2 | 63.3 | 0 | 0 | 0 | 110.5 | V371 F372 Y375 L409 I417 K432 A433 R438 Y439 L440 | V371-L436 HydrophobicContact CG1-CD1 4.24Å; V371-L436 HydrophobicContact CG1-CD2 4.38Å; F372-L436 HydrophobicContact CD1-CD1 4.18Å; F372-L436 HydrophobicContact CD2-CD1 4.48Å; F372-L436 HydrophobicContact CE1-CB 4.2Å; F372-L436 HydrophobicContact CE1-CD1 4.04Å; F372-L436 HydrophobicContact CE2-CB 3.97Å; F372-L436 HydrophobicContact CE2-CD1 4.3Å; F372-L436 HydrophobicContact CG-CD1 4.42Å; F372-L436 HydrophobicContact CZ-CB 3.62Å; F372-L436 HydrophobicContact CZ-CD1 4.13Å; F372-L436 HydrophobicContact CZ-CG 4.5Å; Y375-L436 HydrophobicContact CD2-CD1 4.34Å; L409-L436 HydrophobicContact CD2-CD2 4.45Å; I417-L436 HydrophobicContact CD1-CD2 4.01Å; K432-L436 PolarHBondContact O-N 3.39Å; A433-L436 PolarHBondContact O-N 3.19Å; L436-R438 VanDerWaalsContact C-N 3.32Å; L436-R438 PolarHBondContact O-N 3.38Å; L436-Y439 WeakPolarHBondContact O-CB 3.3Å; L436-Y439 PolarHBondContact O-N 3.19Å; L436-L440 HydrophobicContact CD1-CD1 4.5Å; L436-L440 HydrophobicContact CD1-CG 4.27Å; L436-L440 HydrophobicContact CG-CD1 4.23Å; L436-L440 HydrophobicContact CG-CG 4.4Å; L436-L440 WeakPolarHBondContact O-CG 3.29Å; L436-L440 PolarHBondContact O-N 3.42Å |
| 437 | M | 94.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.6 | -36.6 | 177.3 | -65.7 | -52.9 | -60 | 0 | 0 | 112.7 | L409 I417 L421 A433 T434 E435 Y439 L440 K441 I479 P480 W484 F488 | L409-M437 HydrophobicContact CD1-SD 4.15Å; I417-M437 HydrophobicContact CG2-SD 4.11Å; L421-M437 HydrophobicContact CD1-CG 4.16Å; L421-M437 HydrophobicContact CD2-CG 4.29Å; A433-M437 WeakPolarHBondContact O-CG 3.36Å; A433-M437 PolarHBondContact O-N 2.88Å; A433-M437 VanDerWaalsContact O-N 3.12Å; T434-M437 PolarHBondContact O-N 3.42Å; E435-M437 VanDerWaalsContact C-N 3.34Å; E435-M437 PolarHBondContact O-N 2.82Å; M437-Y439 VanDerWaalsContact C-N 3.31Å; M437-L440 HydrophobicContact SD-CD1 4.28Å; M437-K441 WeakPolarHBondContact O-CB 3.35Å; M437-K441 PolarHBondContact O-N 3.41Å; M437-K441 VanDerWaalsContact O-N 3.13Å; M437-I479 HydrophobicContact CE-CD1 3.91Å; M437-I479 HydrophobicContact CE-CG2 4.45Å; M437-P480 HydrophobicContact CE-CG 4.01Å; M437-P480 HydrophobicContact SD-CG 4.06Å; M437-W484 HydrophobicContact CB-CD2 3.68Å; M437-W484 VanDerWaalsContact CB-CE2 3.42Å; M437-W484 HydrophobicContact CB-CE3 3.89Å; M437-W484 HydrophobicContact CB-CG 4.37Å; M437-W484 HydrophobicContact CB-CH2 3.66Å; M437-W484 HydrophobicContact CB-CZ2 3.43Å; M437-W484 VanDerWaalsContact CB-CZ2 3.43Å; M437-W484 HydrophobicContact CB-CZ3 3.87Å; M437-W484 HydrophobicContact CE-CB 4.22Å; M437-W484 HydrophobicContact CE-CD2 4.38Å; M437-W484 HydrophobicContact CE-CG 4.14Å; M437-W484 HydrophobicContact CG-CD2 4.25Å; M437-W484 HydrophobicContact CG-CG 4.46Å; M437-W484 HydrophobicContact CG-CZ2 4.32Å; M437-F488 HydrophobicContact CE-CE2 3.91Å; M437-F488 HydrophobicContact CE-CZ 4.28Å |
| 438 | R | 94.2 | Very high | 92.1 | Very high | 136 Ų | 136 | 40.5 Ų | 40.5 | 51% | 0.513 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.5 | -41 | 171.9 | -68.6 | -176.7 | -165 | 103.2 | -4.7 | 111.2 | T434 E435 L436 K441 Q442 W484 | T434-R438 VanDerWaalsContact CG2-CZ 3.44Å; T434-R438 VanDerWaalsContact CG2-NH2 3.3Å; T434-R438 WeakPolarHBondContact O-CG 3.36Å; T434-R438 PolarHBondContact O-N 2.78Å; E435-R438 WeakPolarHBondContact O-CB 3.44Å; E435-R438 PolarHBondContact O-N 3.38Å; E435-R438 VanDerWaalsContact O-N 3.15Å; L436-R438 VanDerWaalsContact C-N 3.32Å; L436-R438 PolarHBondContact O-N 3.38Å; R438-K441 WeakPolarHBondContact O-CB 3.46Å; R438-K441 PolarHBondContact O-N 3.39Å; R438-Q442 WeakPolarHBondContact O-CG 3.23Å; R438-Q442 PolarHBondContact O-N 2.96Å; R438-W484 HydrophobicContact CB-CH2 4.45Å; R438-W484 HydrophobicContact CG-CH2 3.62Å; R438-W484 HydrophobicContact CG-CZ3 4.39Å |
| 439 | Y | 94 | Very high | 91.9 | Very high | 46 Ų | 46 | 36.2 Ų | 36.2 | 18% | 0.18 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.4 | -48 | -178.6 | -169.2 | -111.2 | 0 | 0 | 0 | 112.3 | F372 R376 E435 L436 M437 K441 Q442 L443 | F372-Y439 HydrophobicContact CD1-CD1 4.14Å; F372-Y439 HydrophobicContact CD1-CG 4.32Å; F372-Y439 HydrophobicContact CE1-CD1 4.45Å; F372-Y439 HydrophobicContact CE1-CG 4.26Å; R376-Y439 VanDerWaalsContact CA-OH 3.26Å; R376-Y439 WeakPolarHBondContact CA-OH 3.26Å; R376-Y439 HydrophobicContact CB-CE1 4.43Å; E435-Y439 PolarHBondContact O-N 2.7Å; L436-Y439 WeakPolarHBondContact O-CB 3.3Å; L436-Y439 PolarHBondContact O-N 3.19Å; M437-Y439 VanDerWaalsContact C-N 3.31Å; Y439-K441 PolarHBondContact O-N 3.05Å; Y439-Q442 CarbonylContact O-C 3.58Å; Y439-Q442 WeakPolarHBondContact O-CA 3.46Å; Y439-Q442 WeakPolarHBondContact O-CB 3.5Å; Y439-Q442 PolarHBondContact O-N 2.82Å; Y439-L443 HydrophobicContact CD1-CD1 4.08Å; Y439-L443 HydrophobicContact CD1-CG 4.28Å; Y439-L443 HydrophobicContact CE1-CD1 3.84Å; Y439-L443 HydrophobicContact CE1-CD2 4.05Å; Y439-L443 HydrophobicContact CE1-CG 4.03Å; Y439-L443 PolarHBondContact O-N 3.45Å |
| 440 | L | 93.5 | Very high | 91.7 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56 | -38.8 | 174.2 | -66.1 | 179.5 | 0 | 0 | 0 | 111.9 | Y375 L409 L436 M437 Q442 L443 L444 F488 | Y375-L440 HydrophobicContact CD1-CD2 3.8Å; Y375-L440 HydrophobicContact CD2-CD2 3.87Å; Y375-L440 HydrophobicContact CE1-CD2 3.59Å; Y375-L440 HydrophobicContact CE2-CD2 3.69Å; Y375-L440 HydrophobicContact CG-CD2 3.94Å; L409-L440 HydrophobicContact CD2-CD1 3.55Å; L409-L440 HydrophobicContact CG-CD1 3.82Å; L436-L440 HydrophobicContact CD1-CD1 4.5Å; L436-L440 HydrophobicContact CD1-CG 4.27Å; L436-L440 HydrophobicContact CG-CD1 4.23Å; L436-L440 HydrophobicContact CG-CG 4.4Å; L436-L440 WeakPolarHBondContact O-CG 3.29Å; L436-L440 PolarHBondContact O-N 3.42Å; M437-L440 HydrophobicContact SD-CD1 4.28Å; L440-Q442 VanDerWaalsContact C-N 3.3Å; L440-Q442 PolarHBondContact O-N 2.85Å; L440-L443 HydrophobicContact CD2-CD1 4.21Å; L440-L443 PolarHBondContact O-N 2.91Å; L440-L444 PolarHBondContact O-N 3.4Å; L440-F488 HydrophobicContact CB-CZ 4.12Å |
| 441 | K | 92.1 | Very high | 91.4 | Very high | 48 Ų | 48 | 33.5 Ų | 33.5 | 21% | 0.209 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.9 | -36.9 | 173.5 | -175.6 | -179 | 174.7 | 178.4 | 0 | 112.5 | M437 R438 Y439 H487 F488 L491 | M437-K441 WeakPolarHBondContact O-CB 3.35Å; M437-K441 PolarHBondContact O-N 3.41Å; M437-K441 VanDerWaalsContact O-N 3.13Å; R438-K441 WeakPolarHBondContact O-CB 3.46Å; R438-K441 PolarHBondContact O-N 3.39Å; Y439-K441 PolarHBondContact O-N 3.05Å; K441-H487 WeakPolarHBondContact CE-O 3.47Å; K441-H487 PolarHBondContact NZ-O 3.4Å; K441-F488 VanDerWaalsContact CA-CZ 3.49Å; K441-F488 HydrophobicContact CB-CD2 4.39Å; K441-F488 HydrophobicContact CB-CE1 3.99Å; K441-F488 HydrophobicContact CB-CE2 3.78Å; K441-F488 HydrophobicContact CB-CZ 3.57Å; K441-F488 HydrophobicContact CG-CD2 4.46Å; K441-F488 HydrophobicContact CG-CE1 4.48Å; K441-F488 HydrophobicContact CG-CE2 4.33Å; K441-F488 HydrophobicContact CG-CZ 4.35Å; K441-L491 HydrophobicContact CG-CD1 3.63Å; K441-L491 HydrophobicContact CG-CG 4.35Å; K441-L491 WeakPolarHBondContact O-CD1 3.18Å |
| 442 | Q | 90.5 | Very high | 91 | Very high | 111 Ų | 111 | 31.2 Ų | 31.2 | 52% | 0.519 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -70.4 | -40 | 174.9 | -69.1 | 177.8 | -5.7 | 0 | 0 | 111.4 | R438 Y439 L440 L444 K445 | R438-Q442 WeakPolarHBondContact O-CG 3.23Å; R438-Q442 PolarHBondContact O-N 2.96Å; Y439-Q442 CarbonylContact O-C 3.58Å; Y439-Q442 WeakPolarHBondContact O-CA 3.46Å; Y439-Q442 WeakPolarHBondContact O-CB 3.5Å; Y439-Q442 PolarHBondContact O-N 2.82Å; L440-Q442 VanDerWaalsContact C-N 3.3Å; L440-Q442 PolarHBondContact O-N 2.85Å; Q442-L444 VanDerWaalsContact C-N 3.34Å; Q442-L444 PolarHBondContact O-N 2.69Å; Q442-K445 VanDerWaalsContact O-CB 3.28Å; Q442-K445 WeakPolarHBondContact O-CB 3.5Å; Q442-K445 PolarHBondContact O-N 3.1Å; Q442-K445 VanDerWaalsContact O-N 3.07Å |
| 443 | L | 91.2 | Very high | 90.5 | Very high | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.9 | -43.4 | 176.7 | -66 | -178.7 | 0 | 0 | 0 | 112.1 | Y375 I382 Y439 L440 K445 I446 P447 | Y375-L443 HydrophobicContact CD1-CD1 3.78Å; Y375-L443 HydrophobicContact CG-CD1 4.12Å; I382-L443 HydrophobicContact CD1-CB 4.17Å; I382-L443 HydrophobicContact CD1-CD2 4.04Å; Y439-L443 HydrophobicContact CD1-CD1 4.08Å; Y439-L443 HydrophobicContact CD1-CG 4.28Å; Y439-L443 HydrophobicContact CE1-CD1 3.84Å; Y439-L443 HydrophobicContact CE1-CD2 4.05Å; Y439-L443 HydrophobicContact CE1-CG 4.03Å; Y439-L443 PolarHBondContact O-N 3.45Å; L440-L443 HydrophobicContact CD2-CD1 4.21Å; L440-L443 PolarHBondContact O-N 2.91Å; L443-K445 PolarHBondContact O-N 3.38Å; L443-K445 VanDerWaalsContact O-N 3.14Å; L443-I446 HydrophobicContact CD2-CD1 4.16Å; L443-I446 WeakPolarHBondContact O-CB 2.99Å; L443-I446 PolarHBondContact O-N 3.36Å; L443-P447 WeakPolarHBondContact O-CD 3.5Å |
| 444 | L | 91 | Very high | 89.7 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.4 | -24.6 | 176.9 | -178.1 | 63.5 | 0 | 0 | 0 | 113.1 | C407 L440 Q442 I446 P447 L448 I471 I475 F488 L491 F492 | C407-L444 HydrophobicContact CB-CB 4.11Å; C407-L444 HydrophobicContact CB-CD1 4.03Å; L440-L444 PolarHBondContact O-N 3.4Å; Q442-L444 VanDerWaalsContact C-N 3.34Å; Q442-L444 PolarHBondContact O-N 2.69Å; L444-I446 VanDerWaalsContact C-N 3.25Å; L444-I446 PolarHBondContact O-N 2.83Å; L444-P447 VanDerWaalsContact O-CD 3.31Å; L444-P447 WeakPolarHBondContact O-CD 3.39Å; L444-L448 HydrophobicContact CD1-CD1 4.31Å; L444-L448 HydrophobicContact CD1-CG 4.32Å; L444-L448 HydrophobicContact CD2-CD1 4.31Å; L444-L448 HydrophobicContact CG-CD1 3.84Å; L444-L448 HydrophobicContact CG-CG 4.3Å; L444-L448 WeakPolarHBondContact O-CG 3.18Å; L444-L448 PolarHBondContact O-N 3.31Å; L444-I471 HydrophobicContact CD1-CG2 4.24Å; L444-I475 HydrophobicContact CD1-CD1 3.88Å; L444-I475 HydrophobicContact CD2-CD1 3.38Å; L444-I475 HydrophobicContact CD2-CG1 4.48Å; L444-I475 HydrophobicContact CG-CD1 4.28Å; L444-F488 HydrophobicContact CD2-CD1 3.66Å; L444-F488 HydrophobicContact CD2-CE1 4.17Å; L444-L491 HydrophobicContact CD2-CD1 4.26Å; L444-F492 HydrophobicContact CD2-CE2 4.05Å; L444-F492 HydrophobicContact CD2-CZ 4.24Å |
| 445 | K | 90.2 | Very high | 88.6 | Confident | 69 Ų | 69 | 44.1 Ų | 44.1 | 30% | 0.3 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.5 | -32 | 174.2 | -62.9 | 178.1 | -179.8 | 179.2 | 0 | 112 | Q442 L443 L448 T449 L491 | Q442-K445 VanDerWaalsContact O-CB 3.28Å; Q442-K445 WeakPolarHBondContact O-CB 3.5Å; Q442-K445 PolarHBondContact O-N 3.1Å; Q442-K445 VanDerWaalsContact O-N 3.07Å; L443-K445 PolarHBondContact O-N 3.38Å; L443-K445 VanDerWaalsContact O-N 3.14Å; K445-L448 PolarHBondContact O-N 3.22Å; K445-T449 VanDerWaalsContact O-CB 3.29Å; K445-T449 WeakPolarHBondContact O-CB 3.18Å; K445-T449 PolarHBondContact O-N 3.3Å; K445-T449 PolarHBondContact O-OG1 3.42Å; K445-L491 HydrophobicContact CD-CD2 4.45Å; K445-L491 HydrophobicContact CG-CD1 4.16Å; K445-L491 HydrophobicContact CG-CD2 4.05Å |
| 446 | I | 90.2 | Very high | 87.4 | Confident | 21 Ų | 21 | 41.3 Ų | 41.3 | 11% | 0.108 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.7 | -58.7 | -175.7 | -62.2 | 167.5 | 0 | 0 | 0 | 111.5 | I382 V383 L443 L444 L448 T449 W450 L502 Q505 | I382-I446 HydrophobicContact CB-CG2 4.2Å; I382-I446 HydrophobicContact CD1-CD1 4.07Å; I382-I446 HydrophobicContact CG2-CG2 4.16Å; V383-I446 HydrophobicContact CG2-CG2 3.98Å; L443-I446 HydrophobicContact CD2-CD1 4.16Å; L443-I446 WeakPolarHBondContact O-CB 2.99Å; L443-I446 PolarHBondContact O-N 3.36Å; L444-I446 VanDerWaalsContact C-N 3.25Å; L444-I446 PolarHBondContact O-N 2.83Å; I446-L448 VanDerWaalsContact C-N 3.3Å; I446-L448 PolarHBondContact O-N 3.15Å; I446-T449 PolarHBondContact O-N 2.77Å; I446-W450 WeakPolarHBondContact O-CB 3.44Å; I446-W450 PolarHBondContact O-N 2.69Å; I446-L502 HydrophobicContact CG2-CD2 4.06Å; I446-Q505 HydrophobicContact CG2-CG 4.38Å |
| 447 | P | 89 | Confident | 85.9 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.2 | -31.2 | 179.7 | 28.7 | -34.7 | 0 | 0 | 0 | 111.6 | I382 I403 L443 L444 W450 L451 | I382-P447 HydrophobicContact CG2-CB 4.19Å; I382-P447 HydrophobicContact CG2-CG 4.15Å; I403-P447 HydrophobicContact CG2-CB 3.89Å; I403-P447 HydrophobicContact CG2-CG 3.91Å; L443-P447 WeakPolarHBondContact O-CD 3.5Å; L444-P447 VanDerWaalsContact O-CD 3.31Å; L444-P447 WeakPolarHBondContact O-CD 3.39Å; P447-W450 PolarHBondContact O-N 2.92Å; P447-L451 VanDerWaalsContact O-CB 3.28Å; P447-L451 WeakPolarHBondContact O-CB 3.36Å; P447-L451 WeakPolarHBondContact O-CG 3.43Å; P447-L451 PolarHBondContact O-N 3.13Å |
| 448 | L | 89 | Confident | 84 | Confident | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.6 | -41.2 | 177.4 | -67.2 | 179.4 | 0 | 0 | 0 | 112.9 | L444 K445 I446 L451 S452 K468 L491 F492 L496 | L444-L448 HydrophobicContact CD1-CD1 4.31Å; L444-L448 HydrophobicContact CD1-CG 4.32Å; L444-L448 HydrophobicContact CD2-CD1 4.31Å; L444-L448 HydrophobicContact CG-CD1 3.84Å; L444-L448 HydrophobicContact CG-CG 4.3Å; L444-L448 WeakPolarHBondContact O-CG 3.18Å; L444-L448 PolarHBondContact O-N 3.31Å; K445-L448 PolarHBondContact O-N 3.22Å; I446-L448 VanDerWaalsContact C-N 3.3Å; I446-L448 PolarHBondContact O-N 3.15Å; L448-L451 PolarHBondContact O-N 3.49Å; L448-S452 PolarHBondContact O-N 3.41Å; L448-S452 PolarHBondContact O-OG 3.15Å; L448-K468 HydrophobicContact CD2-CG 3.98Å; L448-L491 HydrophobicContact CD1-CB 4.38Å; L448-F492 HydrophobicContact CD1-CD1 4.39Å; L448-F492 HydrophobicContact CD1-CE1 4.04Å; L448-F492 HydrophobicContact CD1-CE2 4.32Å; L448-F492 HydrophobicContact CD1-CZ 3.98Å; L448-F492 HydrophobicContact CD2-CD1 4.18Å; L448-F492 HydrophobicContact CD2-CE1 3.56Å; L448-F492 HydrophobicContact CD2-CZ 4.09Å; L448-F492 HydrophobicContact CG-CE1 4.45Å; L448-L496 HydrophobicContact CB-CD1 3.61Å; L448-L496 HydrophobicContact CD1-CD1 4.13Å |
| 449 | T | 86.9 | Confident | 82.1 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.9 | -38 | 172.9 | -58.5 | 0 | 0 | 0 | 0 | 111 | K445 I446 S452 L453 D498 L502 | K445-T449 VanDerWaalsContact O-CB 3.29Å; K445-T449 WeakPolarHBondContact O-CB 3.18Å; K445-T449 PolarHBondContact O-N 3.3Å; K445-T449 PolarHBondContact O-OG1 3.42Å; I446-T449 PolarHBondContact O-N 2.77Å; T449-S452 VanDerWaalsContact CA-OG 3.3Å; T449-S452 WeakPolarHBondContact CA-OG 3.49Å; T449-S452 PolarHBondContact O-N 3.45Å; T449-S452 PolarHBondContact O-OG 2.86Å; T449-L453 HydrophobicContact CG2-CD1 3.77Å; T449-L453 HydrophobicContact CG2-CG 4.3Å; T449-L453 WeakPolarHBondContact O-CB 3.46Å; T449-L453 VanDerWaalsContact O-CG 3.29Å; T449-L453 WeakPolarHBondContact O-CG 3.4Å; T449-L453 PolarHBondContact O-N 3.22Å; T449-D498 WeakPolarHBondContact CG2-O 3.5Å; T449-L502 HydrophobicContact CG2-CD1 4.43Å; T449-L502 HydrophobicContact CG2-CG 4.42Å |
| 450 | W | 87.2 | Confident | 80.2 | Confident | 30 Ų | 30 | 41.8 Ų | 41.8 | 11% | 0.114 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.4 | -42.9 | 174.3 | -176 | 84.7 | 0 | 0 | 0 | 111.5 | V383 T386 I387 L390 I446 P447 S452 L453 N454 L502 | V383-W450 VanDerWaalsContact CG1-CD1 3.5Å; V383-W450 HydrophobicContact CG1-CD2 4.4Å; V383-W450 HydrophobicContact CG1-CG 4.12Å; V383-W450 HydrophobicContact CG2-CB 4.09Å; V383-W450 HydrophobicContact CG2-CG 3.98Å; T386-W450 HydrophobicContact CG2-CE3 3.96Å; T386-W450 HydrophobicContact CG2-CZ3 3.83Å; I387-W450 HydrophobicContact CD1-CZ2 3.95Å; I387-W450 HydrophobicContact CG1-CH2 3.91Å; I387-W450 HydrophobicContact CG1-CZ2 3.54Å; L390-W450 HydrophobicContact CD2-CH2 4.16Å; I446-W450 WeakPolarHBondContact O-CB 3.44Å; I446-W450 PolarHBondContact O-N 2.69Å; P447-W450 PolarHBondContact O-N 2.92Å; W450-S452 VanDerWaalsContact C-N 3.35Å; W450-S452 PolarHBondContact O-N 3.4Å; W450-L453 PolarHBondContact O-N 3.23Å; W450-N454 HydrophobicContact CD2-CB 4.45Å; W450-N454 HydrophobicContact CZ2-CB 4.3Å; W450-N454 PolarHBondContact NE1-ND2 2.75Å; W450-N454 VanDerWaalsContact O-CB 3.28Å; W450-N454 WeakPolarHBondContact O-CB 3.5Å; W450-N454 PolarHBondContact O-N 3.28Å; W450-N454 PolarHBondContact O-ND2 3.39Å; W450-L502 HydrophobicContact CB-CD1 4.22Å; W450-L502 HydrophobicContact CB-CD2 4.12Å |
| 451 | L | 85.8 | Confident | 78.9 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.2 | -24.9 | 177.5 | -76.3 | 174.4 | 0 | 0 | 0 | 114.2 | P447 L448 L456 S464 L467 K468 I471 | P447-L451 VanDerWaalsContact O-CB 3.28Å; P447-L451 WeakPolarHBondContact O-CB 3.36Å; P447-L451 WeakPolarHBondContact O-CG 3.43Å; P447-L451 PolarHBondContact O-N 3.13Å; L448-L451 PolarHBondContact O-N 3.49Å; L451-L456 HydrophobicContact CD2-CD2 3.96Å; L451-L456 HydrophobicContact CD2-CG 4.37Å; L451-S464 PolarHBondContact O-OG 2.88Å; L451-L467 HydrophobicContact CD1-CD2 3.89Å; L451-L467 HydrophobicContact CD1-CG 4.32Å; L451-L467 HydrophobicContact CD2-CD2 3.75Å; L451-L467 HydrophobicContact CG-CD2 4.5Å; L451-K468 HydrophobicContact CD1-CG 4.39Å; L451-I471 HydrophobicContact CD1-CD1 3.97Å |
| 452 | S | 83.4 | Confident | 78.1 | Confident | 43 Ų | 43 | 44.5 Ų | 44.5 | 30% | 0.301 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -82.7 | -34.8 | 173.9 | 53.8 | 0 | 0 | 0 | 0 | 112.5 | L448 T449 W450 L496 | L448-S452 PolarHBondContact O-N 3.41Å; L448-S452 PolarHBondContact O-OG 3.15Å; T449-S452 VanDerWaalsContact CA-OG 3.3Å; T449-S452 WeakPolarHBondContact CA-OG 3.49Å; T449-S452 PolarHBondContact O-N 3.45Å; T449-S452 PolarHBondContact O-OG 2.86Å; W450-S452 VanDerWaalsContact C-N 3.35Å; W450-S452 PolarHBondContact O-N 3.4Å; S452-L496 WeakPolarHBondContact CB-O 3.24Å; S452-L496 PolarHBondContact OG-O 3.48Å |
| 453 | L | 81.7 | Confident | 77.5 | Confident | 71 Ų | 71 | 42.9 Ų | 42.9 | 37% | 0.372 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -84.2 | -29.6 | -179.5 | -66.7 | 177.2 | 0 | 0 | 0 | 113.2 | T449 W450 N497 P499 L502 | T449-L453 HydrophobicContact CG2-CD1 3.77Å; T449-L453 HydrophobicContact CG2-CG 4.3Å; T449-L453 WeakPolarHBondContact O-CB 3.46Å; T449-L453 VanDerWaalsContact O-CG 3.29Å; T449-L453 WeakPolarHBondContact O-CG 3.4Å; T449-L453 PolarHBondContact O-N 3.22Å; W450-L453 PolarHBondContact O-N 3.23Å; L453-N497 HydrophobicContact CD2-CB 4.44Å; L453-P499 HydrophobicContact CD1-CB 4.03Å; L453-L502 HydrophobicContact CD1-CD1 3.89Å |
| 454 | N | 77.6 | Confident | 77 | Confident | 65 Ų | 65 | 43.8 Ų | 43.8 | 35% | 0.348 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -108.4 | 134.3 | -177.2 | -61.4 | -84.6 | 0 | 0 | 0 | 111 | W450 | W450-N454 HydrophobicContact CD2-CB 4.45Å; W450-N454 HydrophobicContact CZ2-CB 4.3Å; W450-N454 PolarHBondContact NE1-ND2 2.75Å; W450-N454 VanDerWaalsContact O-CB 3.28Å; W450-N454 WeakPolarHBondContact O-CB 3.5Å; W450-N454 PolarHBondContact O-N 3.28Å; W450-N454 PolarHBondContact O-ND2 3.39Å |
| 455 | Q | 69.1 | Low | 76.6 | Confident | 189 Ų | 189 | 48.9 Ų | 48.9 | 88% | 0.883 | 27% | 0.268 | S | S | * | . | P | Polyproline II helix | trans | -75.7 | 130.1 | 169.7 | -68.3 | -179.6 | -11 | 0 | 0 | 109 | ||
| 456 | L | 71.4 | Confident | 76.3 | Confident | 26 Ų | 26 | 50 Ų | 50 | 14% | 0.136 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 144.9 | 170.9 | -73.3 | 167.7 | 0 | 0 | 0 | 109.3 | L390 L451 S458 F462 L467 | L390-L456 HydrophobicContact CD1-CD2 3.66Å; L390-L456 HydrophobicContact CD2-CD2 3.84Å; L390-L456 HydrophobicContact CG-CD2 4.44Å; L451-L456 HydrophobicContact CD2-CD2 3.96Å; L451-L456 HydrophobicContact CD2-CG 4.37Å; L456-S458 PolarHBondContact O-N 3.38Å; L456-F462 HydrophobicContact CD1-CD2 4.17Å; L456-F462 HydrophobicContact CD1-CE2 4.05Å; L456-L467 HydrophobicContact CD1-CD2 4.46Å |
| 457 | P | 61.2 | Low | 76.1 | Confident | 35 Ų | 35 | 49 Ų | 49 | 23% | 0.227 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 128.4 | 175 | -14.5 | 26 | 0 | 0 | 0 | 109.3 | L390 A459 M460 I643 | L390-P457 HydrophobicContact CD2-CG 3.98Å; P457-A459 PolarHBondContact O-N 3.4Å; P457-M460 WeakPolarHBondContact O-CB 3.35Å; P457-M460 PolarHBondContact O-N 2.87Å; P457-I643 HydrophobicContact CB-CB 3.99Å; P457-I643 HydrophobicContact CB-CD1 3.43Å; P457-I643 VanDerWaalsContact CB-CD1 3.43Å; P457-I643 HydrophobicContact CB-CG1 3.52Å; P457-I643 HydrophobicContact CG-CD1 3.85Å; P457-I643 HydrophobicContact CG-CG1 4.28Å |
| 458 | S | 55.8 | Low | 76 | Confident | 85 Ų | 85 | 51.1 Ų | 51.1 | 59% | 0.594 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | 9.6 | -170.1 | 45.6 | 0 | 0 | 0 | 0 | 116.1 | L456 M460 P644 | L456-S458 PolarHBondContact O-N 3.38Å; S458-M460 VanDerWaalsContact C-N 3.26Å; S458-P644 WeakPolarHBondContact OG-CB 3.46Å; S458-P644 WeakPolarHBondContact OG-CD 3.15Å; S458-P644 WeakPolarHBondContact OG-CG 3.43Å |
| 459 | A | 53 | Low | 75.9 | Confident | 35 Ų | 35 | 55.9 Ų | 55.9 | 29% | 0.289 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -3.8 | 162.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | P457 N461 I643 | P457-A459 PolarHBondContact O-N 3.4Å; A459-N461 PolarHBondContact O-OD1 3.01Å; A459-I643 HydrophobicContact CB-CB 3.42Å; A459-I643 VanDerWaalsContact CB-CB 3.42Å; A459-I643 HydrophobicContact CB-CD1 4.49Å; A459-I643 HydrophobicContact CB-CG2 3.05Å |
| 460 | M | 53.8 | Low | 75.9 | Confident | 37 Ų | 37 | 58.6 Ų | 58.6 | 18% | 0.182 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -83.8 | 124.8 | 171.3 | -72.9 | -100.2 | 158.2 | 0 | 0 | 109.3 | L390 P457 S458 F462 | L390-M460 HydrophobicContact CD1-CE 3.53Å; L390-M460 HydrophobicContact CD1-CG 4.04Å; L390-M460 HydrophobicContact CD1-SD 3.46Å; L390-M460 WeakPolarHBondContact CD1-SD 3.33Å; L390-M460 HydrophobicContact CG-CE 3.93Å; L390-M460 HydrophobicContact CG-SD 4.42Å; L390-M460 WeakPolarHBondContact O-CE 3.43Å; P457-M460 WeakPolarHBondContact O-CB 3.35Å; P457-M460 PolarHBondContact O-N 2.87Å; S458-M460 VanDerWaalsContact C-N 3.26Å; M460-F462 HydrophobicContact CB-CE1 4.28Å; M460-F462 HydrophobicContact CB-CZ 4.31Å; M460-F462 HydrophobicContact CG-CZ 4.36Å; M460-F462 PolarHBondContact O-N 3.09Å; M460-F462 HydrophobicContact SD-CD1 4.46Å; M460-F462 HydrophobicContact SD-CE1 3.43Å; M460-F462 WeakPolarHBondContact SD-CE1 3.43Å; M460-F462 HydrophobicContact SD-CE2 4.02Å; M460-F462 HydrophobicContact SD-CZ 3.16Å; M460-F462 WeakPolarHBondContact SD-CZ 3.35Å |
| 461 | N | 67.7 | Low | 76 | Confident | 74 Ų | 74 | 57.1 Ų | 57.1 | 40% | 0.396 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -74.1 | 19.4 | -175.3 | -52.7 | -1.9 | 0 | 0 | 0 | 113.3 | A459 D526 | A459-N461 PolarHBondContact O-OD1 3.01Å; N461-D526 VanDerWaalsContact CA-OD1 3.29Å; N461-D526 WeakPolarHBondContact CA-OD1 3.35Å; N461-D526 VanDerWaalsContact CB-CG 3.42Å; N461-D526 WeakPolarHBondContact CB-OD1 3.42Å; N461-D526 VanDerWaalsContact CB-OD2 3.28Å; N461-D526 WeakPolarHBondContact CB-OD2 3.5Å; N461-D526 VanDerWaalsContact CG-OD1 3.29Å; N461-D526 PolarHBondContact ND2-OD2 2.89Å; N461-D526 PolarHBondContact OD1-OD1 3.42Å; N461-D526 PolarHBondContact OD1-OD2 3.21Å |
| 462 | F | 74 | Confident | 76.1 | Confident | 32 Ų | 32 | 59 Ų | 59 | 14% | 0.14 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -148.5 | 152.2 | -175.1 | 57.1 | -97.2 | 0 | 0 | 0 | 112.8 | I396 L399 L456 M460 Q466 L467 | I396-F462 HydrophobicContact CB-CD1 3.81Å; I396-F462 HydrophobicContact CB-CE1 3.84Å; I396-F462 HydrophobicContact CB-CG 4.15Å; I396-F462 HydrophobicContact CB-CZ 4.2Å; I396-F462 HydrophobicContact CD1-CB 3.64Å; I396-F462 HydrophobicContact CD1-CD1 4.08Å; I396-F462 HydrophobicContact CD1-CD2 3.6Å; I396-F462 HydrophobicContact CD1-CE2 4.23Å; I396-F462 HydrophobicContact CD1-CG 3.51Å; I396-F462 HydrophobicContact CG1-CD1 4.03Å; I396-F462 HydrophobicContact CG1-CD2 3.83Å; I396-F462 HydrophobicContact CG1-CE1 4.12Å; I396-F462 HydrophobicContact CG1-CE2 3.94Å; I396-F462 HydrophobicContact CG1-CG 3.87Å; I396-F462 HydrophobicContact CG1-CZ 4.06Å; L399-F462 HydrophobicContact CD2-CE2 3.99Å; L399-F462 HydrophobicContact CD2-CZ 3.7Å; L456-F462 HydrophobicContact CD1-CD2 4.17Å; L456-F462 HydrophobicContact CD1-CE2 4.05Å; M460-F462 HydrophobicContact CB-CE1 4.28Å; M460-F462 HydrophobicContact CB-CZ 4.31Å; M460-F462 HydrophobicContact CG-CZ 4.36Å; M460-F462 PolarHBondContact O-N 3.09Å; M460-F462 HydrophobicContact SD-CD1 4.46Å; M460-F462 HydrophobicContact SD-CE1 3.43Å; M460-F462 WeakPolarHBondContact SD-CE1 3.43Å; M460-F462 HydrophobicContact SD-CE2 4.02Å; M460-F462 HydrophobicContact SD-CZ 3.16Å; M460-F462 WeakPolarHBondContact SD-CZ 3.35Å; F462-Q466 HydrophobicContact CB-CB 4.29Å; F462-L467 HydrophobicContact CD2-CB 4.13Å; F462-L467 HydrophobicContact CE2-CB 4.09Å; F462-L467 HydrophobicContact CE2-CD1 4.43Å; F462-L467 HydrophobicContact CE2-CD2 4.22Å; F462-L467 HydrophobicContact CE2-CG 4.47Å |
| 463 | T | 79.5 | Confident | 76.4 | Confident | 77 Ų | 77 | 60.6 Ų | 60.6 | 47% | 0.472 | 32% | 0.322 | S | S | . | . | trans | -85.5 | 161.1 | 179.8 | 68.3 | 0 | 0 | 0 | 0 | 112 | D465 Q466 L467 | T463-D465 PolarHBondContact O-N 3.28Å; T463-Q466 PolarHBondContact O-N 3.23Å; T463-Q466 VanDerWaalsContact O-N 3.15Å; T463-Q466 WeakPolarHBondContact OG1-CG 3.32Å; T463-Q466 PolarHBondContact OG1-N 3.07Å; T463-Q466 VanDerWaalsContact OG1-N 3.16Å; T463-L467 PolarHBondContact O-N 3.16Å | ||
| 464 | S | 80.3 | Confident | 76.5 | Confident | 22 Ų | 22 | 59.1 Ų | 59.1 | 15% | 0.154 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -54.7 | -36 | 172.4 | 178.3 | 0 | 0 | 0 | 0 | 111.2 | L451 L467 K468 | L451-S464 PolarHBondContact O-OG 2.88Å; S464-L467 PolarHBondContact O-N 3.11Å; S464-K468 VanDerWaalsContact O-CG 3.26Å; S464-K468 WeakPolarHBondContact O-CG 3.29Å; S464-K468 PolarHBondContact O-N 3.26Å; S464-K468 WeakPolarHBondContact OG-CE 3.43Å |
| 465 | D | 82.1 | Confident | 76.9 | Confident | 107 Ų | 107 | 56.1 Ų | 56.1 | 57% | 0.572 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -73.4 | -36.9 | 179.2 | -61.7 | -33.6 | 0 | 0 | 0 | 113 | T463 L467 K468 M469 | T463-D465 PolarHBondContact O-N 3.28Å; D465-L467 VanDerWaalsContact C-N 3.31Å; D465-L467 PolarHBondContact O-N 3.21Å; D465-K468 PolarHBondContact O-N 3.35Å; D465-K468 IonicContact OD1-NZ 2.84Å; D465-K468 PolarHBondContact OD1-NZ 2.75Å; D465-M469 WeakPolarHBondContact O-CB 3.48Å; D465-M469 PolarHBondContact O-N 3.17Å |
| 466 | Q | 84.2 | Confident | 77.7 | Confident | 92 Ų | 92 | 53.1 Ų | 53.1 | 43% | 0.43 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.3 | -40.4 | 170.9 | -74.9 | 175 | -21.5 | 0 | 0 | 111.4 | I396 F462 T463 M469 K470 | I396-Q466 HydrophobicContact CD1-CB 3.97Å; F462-Q466 HydrophobicContact CB-CB 4.29Å; T463-Q466 PolarHBondContact O-N 3.23Å; T463-Q466 VanDerWaalsContact O-N 3.15Å; T463-Q466 WeakPolarHBondContact OG1-CG 3.32Å; T463-Q466 PolarHBondContact OG1-N 3.07Å; T463-Q466 VanDerWaalsContact OG1-N 3.16Å; Q466-M469 PolarHBondContact O-N 2.95Å; Q466-K470 WeakPolarHBondContact O-CG 3.39Å; Q466-K470 PolarHBondContact O-N 3.06Å |
| 467 | L | 85.5 | Confident | 78.3 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.8 | -45.8 | 175.7 | 178.6 | 60.5 | 0 | 0 | 0 | 111.1 | I396 L399 A400 I403 L451 L456 F462 T463 S464 D465 M469 K470 I471 | I396-L467 HydrophobicContact CD1-CB 4.33Å; I396-L467 HydrophobicContact CG1-CB 4.42Å; I396-L467 HydrophobicContact CG1-CD1 3.9Å; L399-L467 HydrophobicContact CB-CD1 4.35Å; L399-L467 HydrophobicContact CD2-CD1 3.87Å; L399-L467 HydrophobicContact CD2-CD2 3.68Å; L399-L467 HydrophobicContact CD2-CG 4.44Å; L399-L467 HydrophobicContact CG-CD1 3.97Å; L399-L467 HydrophobicContact CG-CD2 4.3Å; A400-L467 HydrophobicContact CB-CD1 4.08Å; I403-L467 HydrophobicContact CD1-CD1 4.49Å; I403-L467 HydrophobicContact CD1-CD2 4.16Å; L451-L467 HydrophobicContact CD1-CD2 3.89Å; L451-L467 HydrophobicContact CD1-CG 4.32Å; L451-L467 HydrophobicContact CD2-CD2 3.75Å; L451-L467 HydrophobicContact CG-CD2 4.5Å; L456-L467 HydrophobicContact CD1-CD2 4.46Å; F462-L467 HydrophobicContact CD2-CB 4.13Å; F462-L467 HydrophobicContact CE2-CB 4.09Å; F462-L467 HydrophobicContact CE2-CD1 4.43Å; F462-L467 HydrophobicContact CE2-CD2 4.22Å; F462-L467 HydrophobicContact CE2-CG 4.47Å; T463-L467 PolarHBondContact O-N 3.16Å; S464-L467 PolarHBondContact O-N 3.11Å; D465-L467 VanDerWaalsContact C-N 3.31Å; D465-L467 PolarHBondContact O-N 3.21Å; L467-M469 VanDerWaalsContact C-N 3.28Å; L467-M469 PolarHBondContact O-N 3.28Å; L467-K470 PolarHBondContact O-N 3.04Å; L467-K470 VanDerWaalsContact O-N 3.15Å; L467-I471 HydrophobicContact CD1-CD1 4.16Å; L467-I471 HydrophobicContact CD1-CG1 4.25Å; L467-I471 HydrophobicContact CG-CD1 3.86Å; L467-I471 HydrophobicContact CG-CG1 4.41Å; L467-I471 VanDerWaalsContact O-CG1 3.27Å; L467-I471 WeakPolarHBondContact O-CG1 3.1Å; L467-I471 PolarHBondContact O-N 3.41Å |
| 468 | K | 86.4 | Confident | 79.6 | Confident | 44 Ų | 44 | 57.9 Ų | 57.9 | 19% | 0.191 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.8 | -41.6 | 174.3 | -73.6 | 171.5 | -167.3 | 161.9 | 0 | 111.8 | L448 L451 S464 D465 I471 E472 F492 | L448-K468 HydrophobicContact CD2-CG 3.98Å; L451-K468 HydrophobicContact CD1-CG 4.39Å; S464-K468 VanDerWaalsContact O-CG 3.26Å; S464-K468 WeakPolarHBondContact O-CG 3.29Å; S464-K468 PolarHBondContact O-N 3.26Å; S464-K468 WeakPolarHBondContact OG-CE 3.43Å; D465-K468 PolarHBondContact O-N 3.35Å; D465-K468 IonicContact OD1-NZ 2.84Å; D465-K468 PolarHBondContact OD1-NZ 2.75Å; K468-I471 PolarHBondContact O-N 3.1Å; K468-E472 WeakPolarHBondContact O-CB 3.49Å; K468-E472 PolarHBondContact O-N 2.93Å; K468-F492 HydrophobicContact CB-CD1 4.25Å; K468-F492 HydrophobicContact CB-CE1 4.32Å; K468-F492 VanDerWaalsContact O-CE1 3.3Å; K468-F492 WeakPolarHBondContact O-CE1 3.43Å |
| 469 | M | 87.2 | Confident | 81.3 | Confident | 106 Ų | 106 | 54.4 Ų | 54.4 | 52% | 0.522 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 176.7 | -171.3 | -175.9 | 73 | 0 | 0 | 111.9 | D465 Q466 L467 E472 L473 | D465-M469 WeakPolarHBondContact O-CB 3.48Å; D465-M469 PolarHBondContact O-N 3.17Å; Q466-M469 PolarHBondContact O-N 2.95Å; L467-M469 VanDerWaalsContact C-N 3.28Å; L467-M469 PolarHBondContact O-N 3.28Å; M469-E472 WeakPolarHBondContact O-CB 3.48Å; M469-E472 PolarHBondContact O-N 2.99Å; M469-L473 PolarHBondContact O-N 2.85Å |
| 470 | K | 87.3 | Confident | 82.9 | Confident | 56 Ų | 56 | 53 Ų | 53 | 24% | 0.243 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.6 | -40.7 | 175.8 | -71.6 | -78.2 | 178.4 | 156.7 | 0 | 112.2 | I396 E397 A400 Q466 L467 E472 L473 F474 | I396-K470 HydrophobicContact CD1-CG 4.02Å; I396-K470 HydrophobicContact CG1-CG 4.19Å; I396-K470 HydrophobicContact CG2-CG 4.31Å; E397-K470 IonicContact OE1-NZ 3.76Å; E397-K470 PolarHBondContact OE1-NZ 3.02Å; A400-K470 HydrophobicContact CB-CB 3.77Å; Q466-K470 WeakPolarHBondContact O-CG 3.39Å; Q466-K470 PolarHBondContact O-N 3.06Å; L467-K470 PolarHBondContact O-N 3.04Å; L467-K470 VanDerWaalsContact O-N 3.15Å; K470-E472 VanDerWaalsContact C-N 3.31Å; K470-E472 PolarHBondContact O-N 2.88Å; K470-L473 HydrophobicContact CD-CD1 4.34Å; K470-L473 WeakPolarHBondContact O-CB 3.13Å; K470-L473 PolarHBondContact O-N 3.19Å; K470-F474 WeakPolarHBondContact O-CD2 3.4Å; K470-F474 PolarHBondContact O-N 3.48Å; K470-F474 VanDerWaalsContact O-N 3.15Å |
| 471 | I | 88.5 | Confident | 84.3 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.1 | -43.9 | 173.2 | -65.9 | 165.1 | 0 | 0 | 0 | 109.9 | A400 I403 L444 L451 L467 K468 L473 F474 I475 F492 | A400-I471 HydrophobicContact CB-CG1 3.9Å; I403-I471 HydrophobicContact CB-CD1 4.33Å; I403-I471 HydrophobicContact CD1-CD1 3.87Å; I403-I471 HydrophobicContact CG2-CD1 3.98Å; I403-I471 HydrophobicContact CG2-CG1 4.49Å; L444-I471 HydrophobicContact CD1-CG2 4.24Å; L451-I471 HydrophobicContact CD1-CD1 3.97Å; L467-I471 HydrophobicContact CD1-CD1 4.16Å; L467-I471 HydrophobicContact CD1-CG1 4.25Å; L467-I471 HydrophobicContact CG-CD1 3.86Å; L467-I471 HydrophobicContact CG-CG1 4.41Å; L467-I471 VanDerWaalsContact O-CG1 3.27Å; L467-I471 WeakPolarHBondContact O-CG1 3.1Å; L467-I471 PolarHBondContact O-N 3.41Å; K468-I471 PolarHBondContact O-N 3.1Å; I471-L473 VanDerWaalsContact C-N 3.3Å; I471-L473 PolarHBondContact O-N 3.15Å; I471-F474 PolarHBondContact O-N 3.46Å; I471-I475 HydrophobicContact CG2-CD1 3.7Å; I471-I475 HydrophobicContact CG2-CG1 4.36Å; I471-I475 WeakPolarHBondContact O-CD1 3.44Å; I471-I475 VanDerWaalsContact O-CG1 3.25Å; I471-I475 WeakPolarHBondContact O-CG1 3.44Å; I471-I475 PolarHBondContact O-N 3.28Å; I471-F492 HydrophobicContact CG2-CE1 4.38Å; I471-F492 HydrophobicContact CG2-CZ 4.05Å |
| 472 | E | 89.1 | Confident | 85.1 | Confident | 42 Ų | 42 | 53.6 Ų | 53.6 | 20% | 0.196 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60 | -39.9 | 177.1 | -164.4 | -163.9 | 140.8 | 0 | 0 | 112.1 | K468 M469 K470 I475 R476 F492 | K468-E472 WeakPolarHBondContact O-CB 3.49Å; K468-E472 PolarHBondContact O-N 2.93Å; M469-E472 WeakPolarHBondContact O-CB 3.48Å; M469-E472 PolarHBondContact O-N 2.99Å; K470-E472 VanDerWaalsContact C-N 3.31Å; K470-E472 PolarHBondContact O-N 2.88Å; E472-I475 PolarHBondContact O-N 3.43Å; E472-R476 WeakPolarHBondContact O-CG 3.15Å; E472-R476 PolarHBondContact O-N 3.2Å; E472-R476 IonicContact OE1-CZ 3.05Å; E472-R476 IonicContact OE1-NE 3.41Å; E472-R476 IonicContact OE1-NH2 3.41Å; E472-R476 PolarHBondContact OE1-NH2 3.33Å; E472-F492 HydrophobicContact CB-CD1 4.19Å; E472-F492 HydrophobicContact CB-CD2 4.38Å; E472-F492 HydrophobicContact CB-CE1 4Å; E472-F492 HydrophobicContact CB-CE2 4.21Å; E472-F492 HydrophobicContact CB-CG 4.38Å; E472-F492 HydrophobicContact CB-CZ 4.04Å; E472-F492 HydrophobicContact CG-CD2 3.97Å; E472-F492 HydrophobicContact CG-CE2 4.08Å; E472-F492 HydrophobicContact CG-CG 4.23Å; E472-F492 HydrophobicContact CG-CZ 4.42Å |
| 473 | L | 88.3 | Confident | 85.8 | Confident | 77 Ų | 77 | 59.4 Ų | 59.4 | 40% | 0.403 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.5 | -50.7 | 175.8 | -75.1 | 167 | 0 | 0 | 0 | 111.6 | M469 K470 I471 I475 R476 | M469-L473 PolarHBondContact O-N 2.85Å; K470-L473 HydrophobicContact CD-CD1 4.34Å; K470-L473 WeakPolarHBondContact O-CB 3.13Å; K470-L473 PolarHBondContact O-N 3.19Å; I471-L473 VanDerWaalsContact C-N 3.3Å; I471-L473 PolarHBondContact O-N 3.15Å; L473-I475 VanDerWaalsContact C-N 3.29Å; L473-I475 PolarHBondContact O-N 2.94Å; L473-R476 WeakPolarHBondContact O-CB 3.24Å; L473-R476 PolarHBondContact O-N 3.45Å; L473-R476 VanDerWaalsContact O-N 3.1Å |
| 474 | F | 84.5 | Confident | 86.3 | Confident | 39 Ų | 39 | 57 Ų | 57 | 17% | 0.171 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.9 | -31.1 | 178.8 | -72.7 | -64.4 | 0 | 0 | 0 | 113 | E397 A400 I401 A404 K470 I471 R476 E477 R478 | E397-F474 HydrophobicContact CB-CE2 4.45Å; E397-F474 HydrophobicContact CB-CZ 4.37Å; A400-F474 HydrophobicContact CB-CD2 3.77Å; A400-F474 HydrophobicContact CB-CE2 3.92Å; I401-F474 HydrophobicContact CD1-CD1 4.44Å; I401-F474 HydrophobicContact CD1-CE1 3.69Å; I401-F474 HydrophobicContact CD1-CE2 4.18Å; I401-F474 HydrophobicContact CD1-CZ 3.54Å; I401-F474 HydrophobicContact CG1-CD1 3.76Å; I401-F474 HydrophobicContact CG1-CD2 3.85Å; I401-F474 HydrophobicContact CG1-CE1 3.46Å; I401-F474 VanDerWaalsContact CG1-CE1 3.46Å; I401-F474 HydrophobicContact CG1-CE2 3.56Å; I401-F474 HydrophobicContact CG1-CG 3.95Å; I401-F474 HydrophobicContact CG1-CZ 3.36Å; A404-F474 HydrophobicContact CB-CB 4.26Å; K470-F474 WeakPolarHBondContact O-CD2 3.4Å; K470-F474 PolarHBondContact O-N 3.48Å; K470-F474 VanDerWaalsContact O-N 3.15Å; I471-F474 PolarHBondContact O-N 3.46Å; F474-R476 VanDerWaalsContact C-N 3.27Å; F474-R476 PolarHBondContact O-N 3.36Å; F474-E477 PolarHBondContact O-N 3.46Å; F474-R478 WeakPolarHBondContact O-CG 3.04Å; F474-R478 PolarHBondContact O-N 3.22Å |
| 475 | I | 85.8 | Confident | 86.7 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.5 | -36.1 | 173.8 | -71.8 | 163.6 | 0 | 0 | 0 | 111.3 | V408 L444 I471 E472 L473 E477 R478 I479 F488 F492 | V408-I475 HydrophobicContact CG1-CG1 4.17Å; L444-I475 HydrophobicContact CD1-CD1 3.88Å; L444-I475 HydrophobicContact CD2-CD1 3.38Å; L444-I475 HydrophobicContact CD2-CG1 4.48Å; L444-I475 HydrophobicContact CG-CD1 4.28Å; I471-I475 HydrophobicContact CG2-CD1 3.7Å; I471-I475 HydrophobicContact CG2-CG1 4.36Å; I471-I475 WeakPolarHBondContact O-CD1 3.44Å; I471-I475 VanDerWaalsContact O-CG1 3.25Å; I471-I475 WeakPolarHBondContact O-CG1 3.44Å; I471-I475 PolarHBondContact O-N 3.28Å; E472-I475 PolarHBondContact O-N 3.43Å; L473-I475 VanDerWaalsContact C-N 3.29Å; L473-I475 PolarHBondContact O-N 2.94Å; I475-E477 PolarHBondContact O-N 3.05Å; I475-R478 PolarHBondContact O-N 2.85Å; I475-I479 HydrophobicContact CG2-CD1 4.22Å; I475-I479 HydrophobicContact CG2-CG1 3.58Å; I475-I479 VanDerWaalsContact O-CG1 3.26Å; I475-I479 WeakPolarHBondContact O-CG1 3.21Å; I475-I479 PolarHBondContact O-N 3.42Å; I475-F488 HydrophobicContact CG2-CB 4.23Å; I475-F488 HydrophobicContact CG2-CD1 4.31Å; I475-F492 HydrophobicContact CD1-CE2 3.66Å; I475-F492 HydrophobicContact CD1-CZ 3.48Å; I475-F492 VanDerWaalsContact CD1-CZ 3.48Å |
| 476 | R | 85.7 | Confident | 87 | Confident | 126 Ų | 126 | 57.1 Ų | 57.1 | 48% | 0.475 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -57.5 | -34.6 | 177.7 | -67.9 | 168.8 | -174.6 | -153.3 | 0.2 | 112 | E472 L473 F474 L485 | E472-R476 WeakPolarHBondContact O-CG 3.15Å; E472-R476 PolarHBondContact O-N 3.2Å; E472-R476 IonicContact OE1-CZ 3.05Å; E472-R476 IonicContact OE1-NE 3.41Å; E472-R476 IonicContact OE1-NH2 3.41Å; E472-R476 PolarHBondContact OE1-NH2 3.33Å; L473-R476 WeakPolarHBondContact O-CB 3.24Å; L473-R476 PolarHBondContact O-N 3.45Å; L473-R476 VanDerWaalsContact O-N 3.1Å; F474-R476 VanDerWaalsContact C-N 3.27Å; F474-R476 PolarHBondContact O-N 3.36Å; R476-L485 HydrophobicContact CB-CD1 4.34Å; R476-L485 HydrophobicContact CG-CD1 3.95Å |
| 477 | E | 85.1 | Confident | 87.2 | Confident | 128 Ų | 128 | 56.5 Ų | 56.5 | 60% | 0.598 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -81.1 | -14.7 | 179.2 | -61.9 | 174.9 | -178.6 | 0 | 0 | 113.4 | I414 F474 I475 | I414-E477 WeakPolarHBondContact CD1-O 3.26Å; F474-E477 PolarHBondContact O-N 3.46Å; I475-E477 PolarHBondContact O-N 3.05Å |
| 478 | R | 88.1 | Confident | 87.4 | Confident | 34 Ų | 34 | 56.5 Ų | 56.5 | 13% | 0.128 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -111.8 | -0.3 | -172.7 | -62.2 | -54.6 | -173.4 | 87.5 | 5.5 | 115.3 | N405 V408 L409 P411 F474 I475 | N405-R478 PolarHBondContact OD1-NH1 3.29Å; V408-R478 HydrophobicContact CB-CB 4.28Å; V408-R478 HydrophobicContact CG2-CB 3.71Å; V408-R478 HydrophobicContact CG2-CG 4.1Å; L409-R478 PolarHBondContact O-NH1 3.02Å; P411-R478 VanDerWaalsContact CD-CZ 3.44Å; F474-R478 WeakPolarHBondContact O-CG 3.04Å; F474-R478 PolarHBondContact O-N 3.22Å; I475-R478 PolarHBondContact O-N 2.85Å |
| 479 | I | 90.7 | Very high | 87.5 | Confident | 12 Ų | 12 | 56.7 Ų | 56.7 | 6% | 0.062 | 27% | 0.271 | C | S | . | . | trans | -101.8 | 131.1 | -179.3 | -64 | -65.3 | 0 | 0 | 0 | 110.3 | V408 M437 I475 D481 W484 L485 F488 | V408-I479 HydrophobicContact CG1-CD1 4.3Å; M437-I479 HydrophobicContact CE-CD1 3.91Å; M437-I479 HydrophobicContact CE-CG2 4.45Å; I475-I479 HydrophobicContact CG2-CD1 4.22Å; I475-I479 HydrophobicContact CG2-CG1 3.58Å; I475-I479 VanDerWaalsContact O-CG1 3.26Å; I475-I479 WeakPolarHBondContact O-CG1 3.21Å; I475-I479 PolarHBondContact O-N 3.42Å; I479-D481 PolarHBondContact O-N 3.49Å; I479-W484 HydrophobicContact CG2-CB 3.64Å; I479-L485 HydrophobicContact CB-CD1 4.43Å; I479-L485 HydrophobicContact CG2-CB 4.15Å; I479-F488 HydrophobicContact CD1-CD1 3.96Å; I479-F488 HydrophobicContact CD1-CD2 3.84Å; I479-F488 HydrophobicContact CD1-CE1 3.9Å; I479-F488 HydrophobicContact CD1-CE2 3.77Å; I479-F488 HydrophobicContact CD1-CG 3.93Å; I479-F488 HydrophobicContact CD1-CZ 3.79Å; I479-F488 HydrophobicContact CG1-CG 4.44Å | ||
| 480 | P | 87.2 | Confident | 87.5 | Confident | 4 Ų | 4 | 57 Ų | 57 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -73 | -28.1 | -169.2 | 25.3 | -34.3 | 0 | 0 | 0 | 115 | L409 I414 I417 R418 L421 M437 | L409-P480 HydrophobicContact CD1-CG 4.34Å; I414-P480 HydrophobicContact CG2-CB 4.14Å; I417-P480 HydrophobicContact CG2-CG 4.28Å; R418-P480 HydrophobicContact CB-CB 3.72Å; R418-P480 HydrophobicContact CG-CB 4.35Å; R418-P480 PolarHBondContact NE-O 3.38Å; R418-P480 PolarHBondContact NH2-O 3.17Å; L421-P480 HydrophobicContact CD1-CB 4.37Å; L421-P480 HydrophobicContact CD1-CG 3.73Å; M437-P480 HydrophobicContact CE-CG 4.01Å; M437-P480 HydrophobicContact SD-CG 4.06Å |
| 481 | D | 83.4 | Confident | 87.5 | Confident | 36 Ų | 36 | 54.6 Ų | 54.6 | 19% | 0.193 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -137.5 | 161.2 | -178.1 | 73.9 | 25 | 0 | 0 | 0 | 113.2 | I479 K483 W484 L485 | I479-D481 PolarHBondContact O-N 3.49Å; D481-K483 VanDerWaalsContact C-N 3.32Å; D481-K483 PolarHBondContact O-N 3.15Å; D481-K483 PolarHBondContact OD1-N 3.21Å; D481-W484 VanDerWaalsContact CG-CD1 3.44Å; D481-W484 WeakPolarHBondContact OD1-CA 3.34Å; D481-W484 WeakPolarHBondContact OD1-CB 3.15Å; D481-W484 PolarHBondContact OD1-N 3.47Å; D481-L485 WeakPolarHBondContact O-CB 3.31Å; D481-L485 PolarHBondContact O-N 3.5Å |
| 482 | S | 84.9 | Confident | 87.3 | Confident | 88 Ų | 88 | 56.7 Ų | 56.7 | 62% | 0.615 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -68.4 | -30.2 | -178.7 | 56.6 | 0 | 0 | 0 | 0 | 113 | L485 I486 | S482-L485 PolarHBondContact O-N 3.04Å; S482-I486 WeakPolarHBondContact O-CG1 3.47Å; S482-I486 PolarHBondContact O-N 3.49Å; S482-I486 VanDerWaalsContact O-N 3.1Å |
| 483 | K | 87.2 | Confident | 87 | Confident | 154 Ų | 154 | 63.5 Ų | 63.5 | 67% | 0.67 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -66.1 | -49.7 | 178.9 | -69.8 | -177 | -179.9 | 177.2 | 0 | 110.8 | D481 L485 I486 H487 | D481-K483 VanDerWaalsContact C-N 3.32Å; D481-K483 PolarHBondContact O-N 3.15Å; D481-K483 PolarHBondContact OD1-N 3.21Å; K483-L485 VanDerWaalsContact C-N 3.32Å; K483-I486 PolarHBondContact O-N 3.25Å; K483-H487 PolarHBondContact O-CD2 3.1Å; K483-H487 PolarHBondContact O-N 3.37Å; K483-H487 VanDerWaalsContact O-N 3.14Å |
| 484 | W | 90.2 | Very high | 86.6 | Confident | 28 Ų | 28 | 66.2 Ų | 66.2 | 11% | 0.106 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.5 | -38.7 | 173.3 | -77.5 | 113 | 0 | 0 | 0 | 111.4 | T434 M437 R438 I479 D481 I486 H487 F488 | T434-W484 HydrophobicContact CG2-CH2 4.49Å; T434-W484 HydrophobicContact CG2-CZ2 3.76Å; M437-W484 HydrophobicContact CB-CD2 3.68Å; M437-W484 VanDerWaalsContact CB-CE2 3.42Å; M437-W484 HydrophobicContact CB-CE3 3.89Å; M437-W484 HydrophobicContact CB-CG 4.37Å; M437-W484 HydrophobicContact CB-CH2 3.66Å; M437-W484 HydrophobicContact CB-CZ2 3.43Å; M437-W484 VanDerWaalsContact CB-CZ2 3.43Å; M437-W484 HydrophobicContact CB-CZ3 3.87Å; M437-W484 HydrophobicContact CE-CB 4.22Å; M437-W484 HydrophobicContact CE-CD2 4.38Å; M437-W484 HydrophobicContact CE-CG 4.14Å; M437-W484 HydrophobicContact CG-CD2 4.25Å; M437-W484 HydrophobicContact CG-CG 4.46Å; M437-W484 HydrophobicContact CG-CZ2 4.32Å; R438-W484 HydrophobicContact CB-CH2 4.45Å; R438-W484 HydrophobicContact CG-CH2 3.62Å; R438-W484 HydrophobicContact CG-CZ3 4.39Å; I479-W484 HydrophobicContact CG2-CB 3.64Å; D481-W484 VanDerWaalsContact CG-CD1 3.44Å; D481-W484 WeakPolarHBondContact OD1-CA 3.34Å; D481-W484 WeakPolarHBondContact OD1-CB 3.15Å; D481-W484 PolarHBondContact OD1-N 3.47Å; W484-I486 VanDerWaalsContact C-N 3.29Å; W484-I486 PolarHBondContact O-N 3.03Å; W484-H487 HydrophobicContact CE3-CB 4.15Å; W484-H487 CarbonylContact O-C 3.6Å; W484-H487 WeakPolarHBondContact O-CA 3.19Å; W484-H487 WeakPolarHBondContact O-CB 3.48Å; W484-H487 PolarHBondContact O-N 3.04Å; W484-F488 HydrophobicContact CE3-CD2 4.25Å; W484-F488 AromaticContact CE3-CE2 3.92Å; W484-F488 HydrophobicContact CE3-CE2 3.92Å; W484-F488 WeakPolarHBondContact O-CD2 3.28Å; W484-F488 PolarHBondContact O-N 2.57Å |
| 485 | L | 88.9 | Confident | 86.2 | Confident | 41 Ų | 41 | 71.6 Ų | 71.6 | 22% | 0.215 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -56.1 | -47 | 176.5 | -177.4 | 60.6 | 0 | 0 | 0 | 111.3 | R476 I479 D481 S482 K483 H487 F488 Q489 | R476-L485 HydrophobicContact CB-CD1 4.34Å; R476-L485 HydrophobicContact CG-CD1 3.95Å; I479-L485 HydrophobicContact CB-CD1 4.43Å; I479-L485 HydrophobicContact CG2-CB 4.15Å; D481-L485 WeakPolarHBondContact O-CB 3.31Å; D481-L485 PolarHBondContact O-N 3.5Å; S482-L485 PolarHBondContact O-N 3.04Å; K483-L485 VanDerWaalsContact C-N 3.32Å; L485-H487 VanDerWaalsContact C-N 3.3Å; L485-H487 PolarHBondContact O-N 2.93Å; L485-F488 PolarHBondContact O-N 3.01Å; L485-Q489 HydrophobicContact CD1-CG 4.31Å; L485-Q489 HydrophobicContact CG-CG 4.47Å; L485-Q489 WeakPolarHBondContact O-CB 3.28Å; L485-Q489 WeakPolarHBondContact O-CG 3.36Å; L485-Q489 PolarHBondContact O-N 3.08Å |
| 486 | I | 88.2 | Confident | 85.9 | Confident | 89 Ų | 89 | 72.8 Ų | 72.8 | 46% | 0.456 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.4 | -41.9 | 174.3 | -65.5 | 162.9 | 0 | 0 | 0 | 110.9 | S482 K483 W484 F488 K490 | S482-I486 WeakPolarHBondContact O-CG1 3.47Å; S482-I486 PolarHBondContact O-N 3.49Å; S482-I486 VanDerWaalsContact O-N 3.1Å; K483-I486 PolarHBondContact O-N 3.25Å; W484-I486 VanDerWaalsContact C-N 3.29Å; W484-I486 PolarHBondContact O-N 3.03Å; I486-F488 PolarHBondContact O-N 3.31Å; I486-K490 HydrophobicContact CG2-CD 4.5Å; I486-K490 WeakPolarHBondContact O-CG 3.33Å; I486-K490 PolarHBondContact O-N 2.89Å; I486-K490 VanDerWaalsContact O-N 3.09Å |
| 487 | H | 88.5 | Confident | 85.5 | Confident | 80 Ų | 80 | 71.4 Ų | 71.4 | 37% | 0.37 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.9 | -36.1 | 178.8 | -74.1 | -58.8 | 0 | 0 | 0 | 113.9 | K441 K483 W484 L485 | K441-H487 WeakPolarHBondContact CE-O 3.47Å; K441-H487 PolarHBondContact NZ-O 3.4Å; K483-H487 PolarHBondContact O-CD2 3.1Å; K483-H487 PolarHBondContact O-N 3.37Å; K483-H487 VanDerWaalsContact O-N 3.14Å; W484-H487 HydrophobicContact CE3-CB 4.15Å; W484-H487 CarbonylContact O-C 3.6Å; W484-H487 WeakPolarHBondContact O-CA 3.19Å; W484-H487 WeakPolarHBondContact O-CB 3.48Å; W484-H487 PolarHBondContact O-N 3.04Å; L485-H487 VanDerWaalsContact C-N 3.3Å; L485-H487 PolarHBondContact O-N 2.93Å |
| 488 | F | 91 | Very high | 85.2 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -74.9 | -45.3 | 176.2 | -87.1 | -105.3 | 0 | 0 | 0 | 111.1 | V408 M437 L440 K441 L444 I475 I479 W484 L485 I486 K490 L491 | V408-F488 HydrophobicContact CG1-CE1 4.03Å; M437-F488 HydrophobicContact CE-CE2 3.91Å; M437-F488 HydrophobicContact CE-CZ 4.28Å; L440-F488 HydrophobicContact CB-CZ 4.12Å; K441-F488 VanDerWaalsContact CA-CZ 3.49Å; K441-F488 HydrophobicContact CB-CD2 4.39Å; K441-F488 HydrophobicContact CB-CE1 3.99Å; K441-F488 HydrophobicContact CB-CE2 3.78Å; K441-F488 HydrophobicContact CB-CZ 3.57Å; K441-F488 HydrophobicContact CG-CD2 4.46Å; K441-F488 HydrophobicContact CG-CE1 4.48Å; K441-F488 HydrophobicContact CG-CE2 4.33Å; K441-F488 HydrophobicContact CG-CZ 4.35Å; L444-F488 HydrophobicContact CD2-CD1 3.66Å; L444-F488 HydrophobicContact CD2-CE1 4.17Å; I475-F488 HydrophobicContact CG2-CB 4.23Å; I475-F488 HydrophobicContact CG2-CD1 4.31Å; I479-F488 HydrophobicContact CD1-CD1 3.96Å; I479-F488 HydrophobicContact CD1-CD2 3.84Å; I479-F488 HydrophobicContact CD1-CE1 3.9Å; I479-F488 HydrophobicContact CD1-CE2 3.77Å; I479-F488 HydrophobicContact CD1-CG 3.93Å; I479-F488 HydrophobicContact CD1-CZ 3.79Å; I479-F488 HydrophobicContact CG1-CG 4.44Å; W484-F488 HydrophobicContact CE3-CD2 4.25Å; W484-F488 AromaticContact CE3-CE2 3.92Å; W484-F488 HydrophobicContact CE3-CE2 3.92Å; W484-F488 WeakPolarHBondContact O-CD2 3.28Å; W484-F488 PolarHBondContact O-N 2.57Å; L485-F488 PolarHBondContact O-N 3.01Å; I486-F488 PolarHBondContact O-N 3.31Å; F488-K490 PolarHBondContact O-N 3.46Å; F488-L491 VanDerWaalsContact O-CB 3.26Å; F488-L491 WeakPolarHBondContact O-CB 3.44Å; F488-L491 PolarHBondContact O-N 3.39Å |
| 489 | Q | 88.2 | Confident | 84.6 | Confident | 49 Ų | 49 | 70.7 Ų | 70.7 | 23% | 0.229 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.1 | -33.9 | 176.3 | -75.9 | 176.6 | -20.5 | 0 | 0 | 112.9 | L485 L491 F492 | L485-Q489 HydrophobicContact CD1-CG 4.31Å; L485-Q489 HydrophobicContact CG-CG 4.47Å; L485-Q489 WeakPolarHBondContact O-CB 3.28Å; L485-Q489 WeakPolarHBondContact O-CG 3.36Å; L485-Q489 PolarHBondContact O-N 3.08Å; Q489-L491 PolarHBondContact O-N 3.46Å; Q489-L491 VanDerWaalsContact O-N 3.12Å; Q489-F492 PolarHBondContact O-N 3.27Å |
| 490 | K | 87.3 | Confident | 83.9 | Confident | 113 Ų | 113 | 75.3 Ų | 75.3 | 49% | 0.491 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.1 | -20.1 | 173.2 | -79.5 | 177 | -178.5 | -177.5 | 0 | 113.7 | I486 F488 K494 | I486-K490 HydrophobicContact CG2-CD 4.5Å; I486-K490 WeakPolarHBondContact O-CG 3.33Å; I486-K490 PolarHBondContact O-N 2.89Å; I486-K490 VanDerWaalsContact O-N 3.09Å; F488-K490 PolarHBondContact O-N 3.46Å; K490-K494 WeakPolarHBondContact O-CG 3.21Å |
| 491 | L | 86.5 | Confident | 83.4 | Confident | 5 Ų | 5 | 78.7 Ų | 78.7 | 3% | 0.026 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -72.4 | -39.1 | 176 | -67.9 | 177.6 | 0 | 0 | 0 | 112.4 | K441 L444 K445 L448 F488 Q489 K493 K494 | K441-L491 HydrophobicContact CG-CD1 3.63Å; K441-L491 HydrophobicContact CG-CG 4.35Å; K441-L491 WeakPolarHBondContact O-CD1 3.18Å; L444-L491 HydrophobicContact CD2-CD1 4.26Å; K445-L491 HydrophobicContact CD-CD2 4.45Å; K445-L491 HydrophobicContact CG-CD1 4.16Å; K445-L491 HydrophobicContact CG-CD2 4.05Å; L448-L491 HydrophobicContact CD1-CB 4.38Å; F488-L491 VanDerWaalsContact O-CB 3.26Å; F488-L491 WeakPolarHBondContact O-CB 3.44Å; F488-L491 PolarHBondContact O-N 3.39Å; Q489-L491 PolarHBondContact O-N 3.46Å; Q489-L491 VanDerWaalsContact O-N 3.12Å; L491-K493 PolarHBondContact O-N 2.83Å; L491-K494 PolarHBondContact O-N 3.47Å; L491-K494 VanDerWaalsContact O-N 3.13Å |
| 492 | F | 85.6 | Confident | 83.2 | Confident | 44 Ų | 44 | 78.4 Ų | 78.4 | 19% | 0.193 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.4 | -22.8 | 180 | -68.9 | -90.1 | 0 | 0 | 0 | 112.9 | L444 L448 K468 I471 E472 I475 Q489 | L444-F492 HydrophobicContact CD2-CE2 4.05Å; L444-F492 HydrophobicContact CD2-CZ 4.24Å; L448-F492 HydrophobicContact CD1-CD1 4.39Å; L448-F492 HydrophobicContact CD1-CE1 4.04Å; L448-F492 HydrophobicContact CD1-CE2 4.32Å; L448-F492 HydrophobicContact CD1-CZ 3.98Å; L448-F492 HydrophobicContact CD2-CD1 4.18Å; L448-F492 HydrophobicContact CD2-CE1 3.56Å; L448-F492 HydrophobicContact CD2-CZ 4.09Å; L448-F492 HydrophobicContact CG-CE1 4.45Å; K468-F492 HydrophobicContact CB-CD1 4.25Å; K468-F492 HydrophobicContact CB-CE1 4.32Å; K468-F492 VanDerWaalsContact O-CE1 3.3Å; K468-F492 WeakPolarHBondContact O-CE1 3.43Å; I471-F492 HydrophobicContact CG2-CE1 4.38Å; I471-F492 HydrophobicContact CG2-CZ 4.05Å; E472-F492 HydrophobicContact CB-CD1 4.19Å; E472-F492 HydrophobicContact CB-CD2 4.38Å; E472-F492 HydrophobicContact CB-CE1 4Å; E472-F492 HydrophobicContact CB-CE2 4.21Å; E472-F492 HydrophobicContact CB-CG 4.38Å; E472-F492 HydrophobicContact CB-CZ 4.04Å; E472-F492 HydrophobicContact CG-CD2 3.97Å; E472-F492 HydrophobicContact CG-CE2 4.08Å; E472-F492 HydrophobicContact CG-CG 4.23Å; E472-F492 HydrophobicContact CG-CZ 4.42Å; I475-F492 HydrophobicContact CD1-CE2 3.66Å; I475-F492 HydrophobicContact CD1-CZ 3.48Å; I475-F492 VanDerWaalsContact CD1-CZ 3.48Å; Q489-F492 PolarHBondContact O-N 3.27Å |
| 493 | K | 82.5 | Confident | 82.6 | Confident | 184 Ų | 184 | 79.9 Ų | 79.9 | 80% | 0.8 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -5.4 | 176.8 | -60.6 | -175.6 | 179.7 | -175.9 | 0 | 114 | L491 | L491-K493 PolarHBondContact O-N 2.83Š|
| 494 | K | 80 | Confident | 82.1 | Confident | 135 Ų | 135 | 78.8 Ų | 78.8 | 59% | 0.587 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -97.4 | 142.2 | -178.4 | -75.9 | -176.4 | 175.5 | -158.9 | 0 | 110.7 | K490 L491 L496 | K490-K494 WeakPolarHBondContact O-CG 3.21Å; L491-K494 PolarHBondContact O-N 3.47Å; L491-K494 VanDerWaalsContact O-N 3.13Å; K494-L496 HydrophobicContact CB-CD2 4.42Å; K494-L496 PolarHBondContact O-N 3.3Å |
| 495 | N | 75 | Confident | 81.8 | Confident | 151 Ų | 151 | 78.5 Ų | 78.5 | 81% | 0.807 | 39% | 0.393 | S | S | * | . | trans | -72.7 | 98 | 168.2 | -72.4 | -12.7 | 0 | 0 | 0 | 109.4 | N497 | N495-N497 PolarHBondContact O-N 2.92Š| ||
| 496 | L | 79.1 | Confident | 80.8 | Confident | 27 Ų | 27 | 79.2 Ų | 79.2 | 14% | 0.141 | 40% | 0.399 | C | S | . | . | trans | -90.8 | 86.2 | 179.8 | -65.3 | 173.6 | 0 | 0 | 0 | 109.6 | L448 S452 K494 | L448-L496 HydrophobicContact CB-CD1 3.61Å; L448-L496 HydrophobicContact CD1-CD1 4.13Å; S452-L496 WeakPolarHBondContact CB-O 3.24Å; S452-L496 PolarHBondContact OG-O 3.48Å; K494-L496 HydrophobicContact CB-CD2 4.42Å; K494-L496 PolarHBondContact O-N 3.3Å | ||
| 497 | N | 77.4 | Confident | 79.2 | Confident | 98 Ų | 98 | 80 Ų | 80 | 52% | 0.524 | 41% | 0.408 | S | S | . | . | trans | -120.7 | 18.5 | -173.7 | -64.2 | -3.2 | 0 | 0 | 0 | 113.4 | L453 N495 P499 | L453-N497 HydrophobicContact CD2-CB 4.44Å; N495-N497 PolarHBondContact O-N 2.92Å; N497-P499 WeakPolarHBondContact O-CD 3.44Å | ||
| 498 | D | 80.1 | Confident | 76.8 | Confident | 71 Ų | 71 | 79 Ų | 79 | 38% | 0.38 | 41% | 0.409 | S | S | . | . | trans | -88.5 | 103.8 | -176.9 | -174.9 | 4.7 | 0 | 0 | 0 | 111 | T449 N500 L501 | T449-D498 WeakPolarHBondContact CG2-O 3.5Å; D498-N500 PolarHBondContact O-N 2.75Å; D498-N500 VanDerWaalsContact OD1-CB 3.29Å; D498-N500 WeakPolarHBondContact OD1-CB 3.46Å; D498-N500 PolarHBondContact OD1-N 2.9Å; D498-N500 VanDerWaalsContact OD1-N 3.1Å; D498-N500 PolarHBondContact OD1-ND2 3.42Å; D498-L501 HydrophobicContact CB-CD1 4.27Å; D498-L501 HydrophobicContact CB-CG 4.38Å; D498-L501 PolarHBondContact O-N 2.85Å | ||
| 499 | P | 75.6 | Confident | 73.7 | Confident | 76 Ų | 76 | 84 Ų | 84 | 49% | 0.494 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -66.9 | -19.8 | -179.3 | 29.5 | -36 | 0 | 0 | 0 | 112.7 | L453 N497 L501 L502 | L453-P499 HydrophobicContact CD1-CB 4.03Å; N497-P499 WeakPolarHBondContact O-CD 3.44Å; P499-L501 PolarHBondContact O-N 3.37Å; P499-L501 VanDerWaalsContact O-N 3.14Å; P499-L502 PolarHBondContact O-N 2.96Å |
| 500 | N | 75.9 | Confident | 70.9 | Confident | 108 Ų | 108 | 86 Ų | 86 | 58% | 0.578 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -61.6 | -25.4 | -179.6 | -62.7 | -48.7 | 0 | 0 | 0 | 112.3 | D498 L502 I503 | D498-N500 PolarHBondContact O-N 2.75Å; D498-N500 VanDerWaalsContact OD1-CB 3.29Å; D498-N500 WeakPolarHBondContact OD1-CB 3.46Å; D498-N500 PolarHBondContact OD1-N 2.9Å; D498-N500 VanDerWaalsContact OD1-N 3.1Å; D498-N500 PolarHBondContact OD1-ND2 3.42Å; N500-L502 PolarHBondContact O-N 3.1Å; N500-I503 HydrophobicContact CB-CD1 4.17Å; N500-I503 PolarHBondContact O-N 2.99Å |
| 501 | L | 76.8 | Confident | 67.8 | Low | 76 Ų | 76 | 85.5 Ų | 85.5 | 40% | 0.398 | 47% | 0.471 | S | S | . | . | G | 310 helix | trans | -66.8 | -13.3 | 176 | -66.6 | 174.7 | 0 | 0 | 0 | 113.9 | D498 P499 | D498-L501 HydrophobicContact CB-CD1 4.27Å; D498-L501 HydrophobicContact CB-CG 4.38Å; D498-L501 PolarHBondContact O-N 2.85Å; P499-L501 PolarHBondContact O-N 3.37Å; P499-L501 VanDerWaalsContact O-N 3.14Å |
| 502 | L | 77.6 | Confident | 64.8 | Low | 30 Ų | 30 | 94.1 Ų | 94.1 | 16% | 0.157 | 51% | 0.511 | C | S | . | . | G | 310 helix | trans | -107.2 | -5 | -175.5 | -56.5 | 179.9 | 0 | 0 | 0 | 113.7 | V383 I446 T449 W450 L453 P499 N500 D504 Q505 | V383-L502 HydrophobicContact CG2-CD2 4.11Å; I446-L502 HydrophobicContact CG2-CD2 4.06Å; T449-L502 HydrophobicContact CG2-CD1 4.43Å; T449-L502 HydrophobicContact CG2-CG 4.42Å; W450-L502 HydrophobicContact CB-CD1 4.22Å; W450-L502 HydrophobicContact CB-CD2 4.12Å; L453-L502 HydrophobicContact CD1-CD1 3.89Å; P499-L502 PolarHBondContact O-N 2.96Å; N500-L502 PolarHBondContact O-N 3.1Å; L502-D504 VanDerWaalsContact C-N 3.28Å; L502-D504 PolarHBondContact O-N 3.35Å; L502-Q505 HydrophobicContact CD2-CG 4.49Å; L502-Q505 WeakPolarHBondContact O-CB 3.29Å; L502-Q505 WeakPolarHBondContact O-CG 3.46Å; L502-Q505 PolarHBondContact O-N 2.89Å; L502-Q505 VanDerWaalsContact O-N 3.13Å |
| 503 | I | 74.1 | Confident | 61.8 | Low | 119 Ų | 119 | 95.7 Ų | 95.7 | 61% | 0.61 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -38.4 | -173 | -67.7 | 172.4 | 0 | 0 | 0 | 112.1 | N500 Q505 | N500-I503 HydrophobicContact CB-CD1 4.17Å; N500-I503 PolarHBondContact O-N 2.99Å; I503-Q505 PolarHBondContact O-N 2.94Å |
| 504 | D | 75.4 | Confident | 58.9 | Low | 130 Ų | 130 | 94.3 Ų | 94.3 | 70% | 0.695 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 4.1 | -176.8 | -63.3 | -26.7 | 0 | 0 | 0 | 114 | L502 | L502-D504 VanDerWaalsContact C-N 3.28Å; L502-D504 PolarHBondContact O-N 3.35Å |
| 505 | Q | 84.9 | Confident | 56.2 | Low | 23 Ų | 23 | 91.6 Ų | 91.6 | 11% | 0.107 | 52% | 0.52 | C | S | . | . | trans | -79.8 | 130.9 | -177.3 | -63.1 | -65.8 | -52.6 | 0 | 0 | 111.6 | S379 K380 V383 I446 L502 I503 V507 | S379-Q505 PolarHBondContact O-NE2 3.3Å; S379-Q505 PolarHBondContact O-OE1 3.42Å; K380-Q505 WeakPolarHBondContact O-CA 3.23Å; K380-Q505 PolarHBondContact O-OE1 3.17Å; V383-Q505 HydrophobicContact CB-CB 4.06Å; V383-Q505 HydrophobicContact CB-CG 4.05Å; V383-Q505 HydrophobicContact CG2-CB 4.13Å; V383-Q505 HydrophobicContact CG2-CG 3.6Å; I446-Q505 HydrophobicContact CG2-CG 4.38Å; L502-Q505 HydrophobicContact CD2-CG 4.49Å; L502-Q505 WeakPolarHBondContact O-CB 3.29Å; L502-Q505 WeakPolarHBondContact O-CG 3.46Å; L502-Q505 PolarHBondContact O-N 2.89Å; L502-Q505 VanDerWaalsContact O-N 3.13Å; I503-Q505 PolarHBondContact O-N 2.94Å; Q505-V507 PolarHBondContact O-N 2.68Å | ||
| 506 | V | 66.6 | Low | 53.7 | Low | 55 Ų | 55 | 91.2 Ų | 91.2 | 33% | 0.333 | 51% | 0.514 | S | S | . | . | trans | -76.7 | 113.7 | 174.7 | -178.2 | 0 | 0 | 0 | 0 | 108.9 | K380 Y381 Q384 | K380-V506 PolarHBondContact O-N 3.19Å; Y381-V506 HydrophobicContact CD1-CB 4.05Å; Y381-V506 HydrophobicContact CD1-CG2 4.24Å; Y381-V506 HydrophobicContact CE1-CB 4.03Å; Y381-V506 HydrophobicContact CE1-CG1 4.22Å; Y381-V506 HydrophobicContact CE1-CG2 3.88Å; Q384-V506 WeakPolarHBondContact CB-O 3.5Å | ||
| 507 | V | 54.9 | Low | 51 | Low | 107 Ų | 107 | 93.4 Ų | 93.4 | 65% | 0.648 | 53% | 0.528 | S | S | * | . | trans | -113.8 | 87 | 172.9 | -172.4 | 0 | 0 | 0 | 0 | 107.9 | V383 Q505 | V383-V507 HydrophobicContact CG1-CG2 4.44Å; Q505-V507 PolarHBondContact O-N 2.68Å | ||
| 508 | S | 38.5 | Very low | 48.4 | Very low | 57 Ų | 57 | 96.2 Ų | 96.2 | 40% | 0.399 | 54% | 0.536 | S | S | . | . | trans | -76.5 | 125.9 | -177.4 | 50.1 | 0 | 0 | 0 | 0 | 112.3 | Q384 T510 | Q384-S508 PolarHBondContact NE2-OG 3.38Å; S508-T510 PolarHBondContact O-N 3.05Å | ||
| 509 | S | 26.6 | Very low | 46 | Very low | 105 Ų | 105 | 96.7 Ų | 96.7 | 73% | 0.734 | 54% | 0.536 | S | S | * | . | trans | -69 | 106.3 | 165.5 | 51.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 510 | T | 28 | Very low | 43.6 | Very low | 91 Ų | 91 | 97.2 Ų | 97.2 | 56% | 0.558 | 53% | 0.532 | S | S | * | . | trans | -77.4 | 121.2 | -176 | 18.7 | 0 | 0 | 0 | 0 | 111.8 | S508 S638 | S508-T510 PolarHBondContact O-N 3.05Å; T510-S638 WeakPolarHBondContact O-CB 3.05Å; T510-S638 PolarHBondContact O-OG 2.74Å | ||
| 511 | S | 23 | Very low | 41.3 | Very low | 104 Ų | 104 | 95.6 Ų | 95.6 | 73% | 0.727 | 53% | 0.529 | S | S | * | . | trans | -99 | 124.7 | 160.6 | 46.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 512 | Q | 23.7 | Very low | 39.2 | Very low | 186 Ų | 186 | 94 Ų | 94 | 87% | 0.869 | 52% | 0.52 | S | S | * | . | trans | 45.6 | 86.9 | 147.7 | -58.3 | -178.3 | -3.8 | 0 | 0 | 118.3 | ||||
| 513 | S | 22.2 | Very low | 37.1 | Very low | 77 Ų | 77 | 99.5 Ų | 99.5 | 54% | 0.538 | 54% | 0.543 | S | S | . | . | trans | -135.6 | 118.8 | 145.6 | 59.5 | 0 | 0 | 0 | 0 | 107.9 | P515 | S513-P515 WeakPolarHBondContact O-CD 3.4Š| ||
| 514 | E | 20.9 | Very low | 35 | Very low | 155 Ų | 155 | 97.1 Ų | 97.1 | 72% | 0.724 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 120.3 | -176.4 | -69 | 174.9 | 154.1 | 0 | 0 | 110.9 | Q636 | E514-Q636 PolarHBondContact OE1-NE2 3.4Š|
| 515 | P | 24.9 | Very low | 33.1 | Very low | 77 Ų | 77 | 97.9 Ų | 97.9 | 50% | 0.5 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -89.2 | 123 | -178.4 | 31.8 | -27.7 | 0 | 0 | 0 | 110.8 | S513 V517 | S513-P515 WeakPolarHBondContact O-CD 3.4Å; P515-V517 PolarHBondContact O-N 3.47Å |
| 516 | E | 21.1 | Very low | 31 | Very low | 143 Ų | 143 | 98.6 Ų | 98.6 | 67% | 0.668 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 117.9 | 165.1 | -78.9 | 173.8 | 169.3 | 0 | 0 | 110.4 | K301 F518 | K301-E516 PolarHBondContact NZ-O 2.57Å; K301-E516 IonicContact NZ-OE2 2.78Å; E516-F518 PolarHBondContact O-N 3.23Å |
| 517 | V | 22.7 | Very low | 29.6 | Very low | 74 Ų | 74 | 96.9 Ų | 96.9 | 45% | 0.448 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 117.2 | -176.1 | -175.2 | 0 | 0 | 0 | 0 | 111.5 | P515 E519 | P515-V517 PolarHBondContact O-N 3.47Å; V517-E519 HydrophobicContact CG1-CB 4.06Å; V517-E519 HydrophobicContact CG1-CG 3.72Å |
| 518 | F | 22.9 | Very low | 29.1 | Very low | 156 Ų | 156 | 93.7 Ų | 93.7 | 68% | 0.684 | 50% | 0.504 | S | S | * | . | trans | -117.8 | 112.2 | 149.7 | -82.4 | -84.4 | 0 | 0 | 0 | 104.9 | E516 | E516-F518 PolarHBondContact O-N 3.23Š| ||
| 519 | E | 29.5 | Very low | 29.5 | Very low | 82 Ų | 82 | 95.1 Ų | 95.1 | 38% | 0.383 | 51% | 0.507 | S | S | . | . | trans | -111.3 | 132.1 | -177.8 | -92.8 | 173 | 170.9 | 0 | 0 | 111.1 | V517 I787 C789 | V517-E519 HydrophobicContact CG1-CB 4.06Å; V517-E519 HydrophobicContact CG1-CG 3.72Å; E519-I787 WeakPolarHBondContact OE2-CG2 3.33Å; E519-C789 PolarHBondContact OE2-SG 3.04Å | ||
| 520 | E | 25.6 | Very low | 30.8 | Very low | 87 Ų | 87 | 91.4 Ų | 91.4 | 41% | 0.407 | 48% | 0.481 | S | S | . | . | trans | -91.3 | 142.9 | -173 | -162.8 | 169.9 | -150.6 | 0 | 0 | 109.9 | L394 I522 | L394-E520 WeakPolarHBondContact CA-OE1 3.48Å; L394-E520 VanDerWaalsContact CA-OE2 3.32Å; L394-E520 WeakPolarHBondContact CA-OE2 3.21Å; L394-E520 WeakPolarHBondContact CB-OE1 3.28Å; L394-E520 HydrophobicContact CD2-CB 3.71Å; L394-E520 HydrophobicContact CD2-CG 3.62Å; L394-E520 WeakPolarHBondContact CD2-OE1 3.27Å; L394-E520 WeakPolarHBondContact CD2-OE2 3.49Å; L394-E520 WeakPolarHBondContact CG-OE1 3.42Å; E520-I522 PolarHBondContact O-N 3.04Å | ||
| 521 | S | 27.8 | Very low | 32.2 | Very low | 73 Ų | 73 | 88.5 Ų | 88.5 | 51% | 0.51 | 46% | 0.462 | S | S | . | . | trans | -75 | 113.1 | 178.7 | 42.7 | 0 | 0 | 0 | 0 | 110.6 | K523 | S521-K523 PolarHBondContact O-N 2.69Š| ||
| 522 | I | 33.1 | Very low | 33.9 | Very low | 43 Ų | 43 | 89 Ų | 89 | 22% | 0.221 | 45% | 0.453 | C | S | . | . | trans | -59.6 | 123.2 | 175.7 | -62.6 | 169.1 | 0 | 0 | 0 | 108.9 | E520 M527 L647 I787 | E520-I522 PolarHBondContact O-N 3.04Å; I522-M527 HydrophobicContact CG2-CG 4.38Å; I522-L647 HydrophobicContact CD1-CD1 4.08Å; I522-I787 HydrophobicContact CD1-CD1 4.08Å | ||
| 523 | K | 31.8 | Very low | 35.7 | Very low | 146 Ų | 146 | 86.6 Ų | 86.6 | 64% | 0.635 | 44% | 0.441 | S | S | * | . | trans | -73.3 | 143 | 177 | -70.4 | -179.1 | -179.1 | 174.6 | 0 | 110.6 | S521 E525 D526 | S521-K523 PolarHBondContact O-N 2.69Å; K523-E525 PolarHBondContact O-N 3.45Å; K523-E525 VanDerWaalsContact O-N 3.12Å; K523-D526 PolarHBondContact O-N 2.88Å | ||
| 524 | I | 31.4 | Very low | 37.7 | Very low | 68 Ų | 68 | 83.7 Ų | 83.7 | 35% | 0.349 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -54.6 | -32.2 | -173.8 | -63.3 | 172.3 | 0 | 0 | 0 | 113.1 | D526 V528 K783 I784 | I524-D526 PolarHBondContact O-N 2.93Å; I524-V528 HydrophobicContact CG2-CG2 4.12Å; I524-V528 VanDerWaalsContact O-CG2 3.31Å; I524-V528 WeakPolarHBondContact O-CG2 3.41Å; I524-V528 PolarHBondContact O-N 3.34Å; I524-K783 HydrophobicContact CB-CB 4.42Å; I524-K783 HydrophobicContact CD1-CB 4.18Å; I524-K783 HydrophobicContact CG1-CB 3.99Å; I524-K783 WeakPolarHBondContact CG1-O 3.37Å; I524-K783 HydrophobicContact CG2-CB 3.7Å; I524-K783 HydrophobicContact CG2-CD 3.78Å; I524-K783 HydrophobicContact CG2-CG 4.41Å; I524-I784 HydrophobicContact CD1-CD1 4.48Å; I524-I784 HydrophobicContact CD1-CG1 3.78Å; I524-I784 HydrophobicContact CG1-CG1 3.97Å |
| 525 | E | 35.9 | Very low | 39.9 | Very low | 147 Ų | 147 | 76.9 Ų | 76.9 | 69% | 0.687 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -66.7 | -37.5 | -170.7 | -71.6 | 174.2 | 172.5 | 0 | 0 | 112.8 | K523 V528 N529 | K523-E525 PolarHBondContact O-N 3.45Å; K523-E525 VanDerWaalsContact O-N 3.12Å; E525-V528 PolarHBondContact O-N 3.43Å; E525-N529 VanDerWaalsContact O-CG 3.27Å; E525-N529 PolarHBondContact O-N 3.38Å; E525-N529 PolarHBondContact O-ND2 2.88Å |
| 526 | D | 40.8 | Very low | 42.1 | Very low | 37 Ų | 37 | 77 Ų | 77 | 20% | 0.198 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -76.5 | -34.3 | -176.6 | -54.3 | -77.6 | 0 | 0 | 0 | 112.8 | N461 K523 I524 N529 S530 | N461-D526 VanDerWaalsContact CA-OD1 3.29Å; N461-D526 WeakPolarHBondContact CA-OD1 3.35Å; N461-D526 VanDerWaalsContact CB-CG 3.42Å; N461-D526 WeakPolarHBondContact CB-OD1 3.42Å; N461-D526 VanDerWaalsContact CB-OD2 3.28Å; N461-D526 WeakPolarHBondContact CB-OD2 3.5Å; N461-D526 VanDerWaalsContact CG-OD1 3.29Å; N461-D526 PolarHBondContact ND2-OD2 2.89Å; N461-D526 PolarHBondContact OD1-OD1 3.42Å; N461-D526 PolarHBondContact OD1-OD2 3.21Å; K523-D526 PolarHBondContact O-N 2.88Å; I524-D526 PolarHBondContact O-N 2.93Å; D526-N529 PolarHBondContact O-N 2.82Å; D526-S530 PolarHBondContact O-N 3.5Å |
| 527 | M | 36.7 | Very low | 44.8 | Very low | 19 Ų | 19 | 75.2 Ų | 75.2 | 9% | 0.094 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 170 | -87.5 | -176.2 | 70.5 | 0 | 0 | 111.5 | I522 N529 S530 I531 L651 V785 | I522-M527 HydrophobicContact CG2-CG 4.38Å; M527-N529 VanDerWaalsContact C-N 3.35Å; M527-S530 PolarHBondContact O-N 3.18Å; M527-I531 WeakPolarHBondContact O-CB 3.41Å; M527-I531 WeakPolarHBondContact O-CD1 3.24Å; M527-I531 VanDerWaalsContact O-CG1 3.24Å; M527-I531 WeakPolarHBondContact O-CG1 3.08Å; M527-I531 PolarHBondContact O-N 3.15Å; M527-L651 HydrophobicContact CE-CD2 4.14Å; M527-V785 HydrophobicContact CE-CG2 3.72Å; M527-V785 HydrophobicContact SD-CB 4.15Å; M527-V785 HydrophobicContact SD-CG2 3.5Å; M527-V785 VanDerWaalsContact SD-CG2 3.5Å |
| 528 | V | 43.7 | Very low | 47.4 | Very low | 41 Ų | 41 | 71.8 Ų | 71.8 | 25% | 0.248 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 179.7 | 174.3 | 0 | 0 | 0 | 0 | 110.2 | I524 E525 I531 E532 K783 | I524-V528 HydrophobicContact CG2-CG2 4.12Å; I524-V528 VanDerWaalsContact O-CG2 3.31Å; I524-V528 WeakPolarHBondContact O-CG2 3.41Å; I524-V528 PolarHBondContact O-N 3.34Å; E525-V528 PolarHBondContact O-N 3.43Å; V528-I531 PolarHBondContact O-N 3.27Å; V528-E532 WeakPolarHBondContact O-CB 3.29Å; V528-E532 WeakPolarHBondContact O-CG 3.17Å; V528-E532 PolarHBondContact O-N 3.41Å; V528-K783 HydrophobicContact CG2-CD 4.25Å |
| 529 | N | 48.1 | Very low | 50.1 | Low | 86 Ų | 86 | 66.2 Ų | 66.2 | 46% | 0.46 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 177.8 | -71.7 | -24.3 | 0 | 0 | 0 | 113 | E525 D526 M527 E532 Q533 | E525-N529 VanDerWaalsContact O-CG 3.27Å; E525-N529 PolarHBondContact O-N 3.38Å; E525-N529 PolarHBondContact O-ND2 2.88Å; D526-N529 PolarHBondContact O-N 2.82Å; M527-N529 VanDerWaalsContact C-N 3.35Å; N529-E532 PolarHBondContact O-N 3.38Å; N529-Q533 WeakPolarHBondContact O-CB 3.48Å; N529-Q533 WeakPolarHBondContact O-CG 3.07Å; N529-Q533 PolarHBondContact O-N 2.86Å |
| 530 | S | 54 | Low | 52.4 | Low | 28 Ų | 28 | 69.2 Ų | 69.2 | 20% | 0.196 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.9 | -41.8 | 177.4 | 175.9 | 0 | 0 | 0 | 0 | 112.2 | D526 M527 Q533 S534 | D526-S530 PolarHBondContact O-N 3.5Å; M527-S530 PolarHBondContact O-N 3.18Å; S530-Q533 PolarHBondContact O-N 3.43Å; S530-S534 WeakPolarHBondContact O-CB 3.48Å; S530-S534 PolarHBondContact O-N 2.75Å; S530-S534 PolarHBondContact O-OG 3.21Å |
| 531 | I | 55.7 | Low | 54.9 | Low | 30 Ų | 30 | 69.7 Ų | 69.7 | 15% | 0.154 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65 | -43.1 | 177.2 | -69 | 168.6 | 0 | 0 | 0 | 110.9 | M527 V528 S534 L535 V587 | M527-I531 WeakPolarHBondContact O-CB 3.41Å; M527-I531 WeakPolarHBondContact O-CD1 3.24Å; M527-I531 VanDerWaalsContact O-CG1 3.24Å; M527-I531 WeakPolarHBondContact O-CG1 3.08Å; M527-I531 PolarHBondContact O-N 3.15Å; V528-I531 PolarHBondContact O-N 3.27Å; I531-S534 WeakPolarHBondContact CA-OG 3.43Å; I531-S534 PolarHBondContact O-N 2.96Å; I531-S534 PolarHBondContact O-OG 3.44Å; I531-S534 VanDerWaalsContact O-OG 3.08Å; I531-L535 WeakPolarHBondContact O-CB 3.37Å; I531-L535 PolarHBondContact O-N 3.25Å; I531-V587 HydrophobicContact CB-CG2 4.45Å; I531-V587 HydrophobicContact CG2-CG2 4.03Å |
| 532 | E | 59.2 | Low | 57.4 | Low | 115 Ų | 115 | 66.2 Ų | 66.2 | 54% | 0.537 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 176.5 | -78 | -171 | 173 | 0 | 0 | 112.4 | V528 N529 N536 | V528-E532 WeakPolarHBondContact O-CB 3.29Å; V528-E532 WeakPolarHBondContact O-CG 3.17Å; V528-E532 PolarHBondContact O-N 3.41Å; N529-E532 PolarHBondContact O-N 3.38Å; E532-N536 WeakPolarHBondContact O-CB 3.13Å; E532-N536 VanDerWaalsContact O-CG 3.24Å; E532-N536 PolarHBondContact O-N 2.85Å; E532-N536 PolarHBondContact O-ND2 3.02Å; E532-N536 VanDerWaalsContact O-ND2 3.14Å |
| 533 | Q | 61.6 | Low | 59.6 | Low | 134 Ų | 134 | 66.8 Ų | 66.8 | 63% | 0.626 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64 | -45.1 | 175.1 | -80.6 | -175.4 | -2.6 | 0 | 0 | 112.4 | N529 S530 L535 N536 N537 | N529-Q533 WeakPolarHBondContact O-CB 3.48Å; N529-Q533 WeakPolarHBondContact O-CG 3.07Å; N529-Q533 PolarHBondContact O-N 2.86Å; S530-Q533 PolarHBondContact O-N 3.43Å; Q533-L535 PolarHBondContact O-N 2.98Å; Q533-N536 CarbonylContact O-C 3.57Å; Q533-N536 WeakPolarHBondContact O-CA 3.32Å; Q533-N536 WeakPolarHBondContact O-CB 3.28Å; Q533-N536 PolarHBondContact O-N 2.58Å; Q533-N537 PolarHBondContact O-N 3.03Å |
| 534 | S | 65.2 | Low | 61.7 | Low | 16 Ų | 16 | 63.5 Ų | 63.5 | 11% | 0.112 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.6 | -32.8 | 179.7 | 49.6 | 0 | 0 | 0 | 0 | 112.6 | S530 I531 N536 N537 V587 | S530-S534 WeakPolarHBondContact O-CB 3.48Å; S530-S534 PolarHBondContact O-N 2.75Å; S530-S534 PolarHBondContact O-OG 3.21Å; I531-S534 WeakPolarHBondContact CA-OG 3.43Å; I531-S534 PolarHBondContact O-N 2.96Å; I531-S534 PolarHBondContact O-OG 3.44Å; I531-S534 VanDerWaalsContact O-OG 3.08Å; S534-N536 VanDerWaalsContact C-N 3.29Å; S534-N536 PolarHBondContact O-N 3.24Å; S534-N537 PolarHBondContact O-N 3.17Å; S534-V587 WeakPolarHBondContact OG-CG2 3.3Å |
| 535 | L | 66.2 | Low | 63.8 | Low | 13 Ų | 13 | 60.5 Ų | 60.5 | 7% | 0.068 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.3 | -38.1 | 167.5 | -166.4 | 90.1 | 0 | 0 | 0 | 111.5 | I531 Q533 N537 L538 R543 F546 K547 V587 Y591 | I531-L535 WeakPolarHBondContact O-CB 3.37Å; I531-L535 PolarHBondContact O-N 3.25Å; Q533-L535 PolarHBondContact O-N 2.98Å; L535-N537 PolarHBondContact O-N 2.88Å; L535-L538 PolarHBondContact O-N 2.76Å; L535-R543 HydrophobicContact CD2-CG 4.36Å; L535-R543 HydrophobicContact CG-CG 4.29Å; L535-R543 PolarHBondContact O-NE 3.37Å; L535-F546 HydrophobicContact CD1-CB 4.44Å; L535-F546 HydrophobicContact CD1-CD2 4.38Å; L535-K547 HydrophobicContact CD2-CG 4.39Å; L535-V587 HydrophobicContact CB-CG1 4.44Å; L535-V587 HydrophobicContact CD1-CG1 3.8Å; L535-Y591 HydrophobicContact CD1-CD2 4.19Å; L535-Y591 HydrophobicContact CD1-CE2 3.46Å; L535-Y591 VanDerWaalsContact CD1-CE2 3.46Å |
| 536 | N | 72.1 | Confident | 65.9 | Low | 79 Ų | 79 | 53.7 Ų | 53.7 | 42% | 0.422 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -73 | -11 | 179.2 | -74.3 | -30.7 | 0 | 0 | 0 | 114.7 | E532 Q533 S534 R543 | E532-N536 WeakPolarHBondContact O-CB 3.13Å; E532-N536 VanDerWaalsContact O-CG 3.24Å; E532-N536 PolarHBondContact O-N 2.85Å; E532-N536 PolarHBondContact O-ND2 3.02Å; E532-N536 VanDerWaalsContact O-ND2 3.14Å; Q533-N536 CarbonylContact O-C 3.57Å; Q533-N536 WeakPolarHBondContact O-CA 3.32Å; Q533-N536 WeakPolarHBondContact O-CB 3.28Å; Q533-N536 PolarHBondContact O-N 2.58Å; S534-N536 VanDerWaalsContact C-N 3.29Å; S534-N536 PolarHBondContact O-N 3.24Å; N536-R543 VanDerWaalsContact C-NH2 3.27Å; N536-R543 VanDerWaalsContact CA-CZ 3.49Å; N536-R543 PolarHBondContact O-NH2 3.34Å; N536-R543 PolarHBondContact OD1-NH1 3.5Å |
| 537 | N | 76.4 | Confident | 67.6 | Low | 105 Ų | 105 | 56.1 Ų | 56.1 | 56% | 0.561 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -10.4 | 174.2 | -67.9 | -21.3 | 0 | 0 | 0 | 112.9 | Q533 S534 L535 Y585 | Q533-N537 PolarHBondContact O-N 3.03Å; S534-N537 PolarHBondContact O-N 3.17Å; L535-N537 PolarHBondContact O-N 2.88Å; N537-Y585 HydrophobicContact CB-CE1 3.96Å |
| 538 | L | 78.3 | Confident | 69.2 | Low | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -78 | 144.3 | 177.8 | -69.8 | 168.4 | 0 | 0 | 0 | 111.3 | L535 I542 R543 F546 Y582 V587 V588 | L535-L538 PolarHBondContact O-N 2.76Å; L538-I542 HydrophobicContact CD1-CG2 4.32Å; L538-R543 PolarHBondContact O-NE 3.49Å; L538-R543 PolarHBondContact O-NH2 3.48Å; L538-F546 HydrophobicContact CD1-CD2 3.95Å; L538-F546 HydrophobicContact CD1-CE2 3.8Å; L538-Y582 HydrophobicContact CD2-CD1 4.01Å; L538-Y582 HydrophobicContact CD2-CD2 4.33Å; L538-Y582 HydrophobicContact CD2-CG 3.87Å; L538-V587 HydrophobicContact CD1-CG1 4.42Å; L538-V588 HydrophobicContact CD2-CG2 4.18Å |
| 539 | P | 80 | Confident | 70.2 | Confident | 39 Ų | 39 | 56.5 Ų | 56.5 | 25% | 0.253 | 29% | 0.286 | S | S | . | . | trans | -48.9 | 145.3 | 170 | -29.4 | 35.6 | 0 | 0 | 0 | 112.8 | N541 I542 R543 Y582 | P539-N541 VanDerWaalsContact C-N 3.28Å; P539-N541 WeakPolarHBondContact CB-OD1 3.48Å; P539-N541 PolarHBondContact O-N 3.16Å; P539-I542 HydrophobicContact CB-CD1 4.48Å; P539-I542 HydrophobicContact CB-CG1 4.47Å; P539-I542 HydrophobicContact CG-CD1 4.24Å; P539-I542 PolarHBondContact O-N 3.3Å; P539-R543 PolarHBondContact O-N 3.38Å; P539-Y582 HydrophobicContact CG-CE1 4.33Å; P539-Y582 HydrophobicContact CG-CE2 3.94Å; P539-Y582 WeakPolarHBondContact CG-OH 3.35Å | ||
| 540 | E | 77.2 | Confident | 71.1 | Confident | 145 Ų | 145 | 56.4 Ų | 56.4 | 68% | 0.678 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -59 | -37.4 | -172 | -161.3 | 168.9 | -164.1 | 0 | 0 | 112.9 | I542 R543 N544 | E540-I542 PolarHBondContact O-N 3.36Å; E540-R543 PolarHBondContact O-N 3.06Å; E540-N544 WeakPolarHBondContact O-CB 3.46Å; E540-N544 PolarHBondContact O-N 3.19Å; E540-N544 PolarHBondContact O-ND2 3.17Å |
| 541 | N | 78.1 | Confident | 71.7 | Confident | 97 Ų | 97 | 62.4 Ų | 62.4 | 52% | 0.519 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.2 | -44.5 | 174 | 61 | -24.8 | 0 | 0 | 0 | 112.9 | P539 V545 | P539-N541 VanDerWaalsContact C-N 3.28Å; P539-N541 WeakPolarHBondContact CB-OD1 3.48Å; P539-N541 PolarHBondContact O-N 3.16Å; N541-V545 WeakPolarHBondContact O-CG2 3.25Å; N541-V545 PolarHBondContact O-N 2.97Å |
| 542 | I | 79.5 | Confident | 71.9 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.5 | -42.3 | 178.3 | -59.2 | 178.9 | 0 | 0 | 0 | 110.3 | L538 P539 E540 N544 V545 F546 I574 Y582 | L538-I542 HydrophobicContact CD1-CG2 4.32Å; P539-I542 HydrophobicContact CB-CD1 4.48Å; P539-I542 HydrophobicContact CB-CG1 4.47Å; P539-I542 HydrophobicContact CG-CD1 4.24Å; P539-I542 PolarHBondContact O-N 3.3Å; E540-I542 PolarHBondContact O-N 3.36Å; I542-N544 PolarHBondContact O-N 2.84Å; I542-V545 PolarHBondContact O-N 3.28Å; I542-F546 HydrophobicContact CG2-CD2 4.04Å; I542-F546 HydrophobicContact CG2-CE1 4.41Å; I542-F546 HydrophobicContact CG2-CE2 3.65Å; I542-F546 HydrophobicContact CG2-CZ 3.86Å; I542-F546 PolarHBondContact O-N 2.84Å; I542-I574 HydrophobicContact CG1-CG2 4.3Å; I542-I574 HydrophobicContact CG2-CG2 4.27Å; I542-Y582 HydrophobicContact CD1-CD2 3.99Å; I542-Y582 HydrophobicContact CD1-CE2 3.79Å |
| 543 | R | 79.3 | Confident | 71.8 | Confident | 55 Ų | 55 | 60.7 Ų | 60.7 | 21% | 0.208 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.1 | -43.9 | -180 | -170.5 | -173.2 | -49.8 | -172.9 | 16.1 | 112.1 | L535 N536 L538 P539 E540 V545 F546 K547 | L535-R543 HydrophobicContact CD2-CG 4.36Å; L535-R543 HydrophobicContact CG-CG 4.29Å; L535-R543 PolarHBondContact O-NE 3.37Å; N536-R543 VanDerWaalsContact C-NH2 3.27Å; N536-R543 VanDerWaalsContact CA-CZ 3.49Å; N536-R543 PolarHBondContact O-NH2 3.34Å; N536-R543 PolarHBondContact OD1-NH1 3.5Å; L538-R543 PolarHBondContact O-NE 3.49Å; L538-R543 PolarHBondContact O-NH2 3.48Å; P539-R543 PolarHBondContact O-N 3.38Å; E540-R543 PolarHBondContact O-N 3.06Å; R543-V545 VanDerWaalsContact C-N 3.33Å; R543-F546 PolarHBondContact O-N 3.23Å; R543-K547 HydrophobicContact CG-CD 4.31Å; R543-K547 WeakPolarHBondContact O-CB 3.1Å; R543-K547 WeakPolarHBondContact O-CG 3.42Å; R543-K547 PolarHBondContact O-N 3.44Å |
| 544 | N | 77.4 | Confident | 71.4 | Confident | 76 Ų | 76 | 59.3 Ų | 59.3 | 41% | 0.406 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 179.9 | -72 | -11.7 | 0 | 0 | 0 | 111 | E540 I542 K547 N548 | E540-N544 WeakPolarHBondContact O-CB 3.46Å; E540-N544 PolarHBondContact O-N 3.19Å; E540-N544 PolarHBondContact O-ND2 3.17Å; I542-N544 PolarHBondContact O-N 2.84Å; N544-K547 PolarHBondContact O-N 2.96Å; N544-N548 WeakPolarHBondContact O-CB 3.17Å; N544-N548 PolarHBondContact O-N 3.17Å; N544-N548 PolarHBondContact O-OD1 2.84Å |
| 545 | V | 75 | Confident | 70.6 | Confident | 6 Ų | 6 | 60.4 Ų | 60.4 | 4% | 0.036 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.7 | -50.5 | 173.8 | 160.9 | 0 | 0 | 0 | 0 | 111.6 | N541 I542 R543 K547 N548 I549 T567 I574 | N541-V545 WeakPolarHBondContact O-CG2 3.25Å; N541-V545 PolarHBondContact O-N 2.97Å; I542-V545 PolarHBondContact O-N 3.28Å; R543-V545 VanDerWaalsContact C-N 3.33Å; V545-K547 PolarHBondContact O-N 3.1Å; V545-N548 PolarHBondContact O-N 3.42Å; V545-I549 HydrophobicContact CG1-CD1 3.79Å; V545-I549 VanDerWaalsContact O-CD1 3.24Å; V545-I549 WeakPolarHBondContact O-CD1 3.35Å; V545-I549 VanDerWaalsContact O-CG1 3.23Å; V545-I549 WeakPolarHBondContact O-CG1 3.02Å; V545-I549 PolarHBondContact O-N 3.38Å; V545-I549 VanDerWaalsContact O-N 3.12Å; V545-T567 HydrophobicContact CB-CG2 4.09Å; V545-T567 HydrophobicContact CG1-CG2 3.46Å; V545-T567 VanDerWaalsContact CG1-CG2 3.46Å; V545-T567 HydrophobicContact CG2-CG2 4.01Å; V545-I574 HydrophobicContact CB-CD1 3.9Å; V545-I574 HydrophobicContact CG1-CD1 3.78Å; V545-I574 HydrophobicContact CG2-CD1 3.54Å |
| 546 | F | 80.3 | Confident | 69.5 | Low | 4 Ų | 4 | 67.8 Ų | 67.8 | 2% | 0.018 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.6 | -39.8 | 178.1 | -71.1 | -11.5 | 0 | 0 | 0 | 113.5 | L535 L538 I542 R543 I549 E550 Y591 | L535-F546 HydrophobicContact CD1-CB 4.44Å; L535-F546 HydrophobicContact CD1-CD2 4.38Å; L538-F546 HydrophobicContact CD1-CD2 3.95Å; L538-F546 HydrophobicContact CD1-CE2 3.8Å; I542-F546 HydrophobicContact CG2-CD2 4.04Å; I542-F546 HydrophobicContact CG2-CE1 4.41Å; I542-F546 HydrophobicContact CG2-CE2 3.65Å; I542-F546 HydrophobicContact CG2-CZ 3.86Å; I542-F546 PolarHBondContact O-N 2.84Å; R543-F546 PolarHBondContact O-N 3.23Å; F546-I549 HydrophobicContact CD1-CD1 4.36Å; F546-E550 PolarHBondContact O-N 2.83Å; F546-E550 VanDerWaalsContact O-N 3.17Å; F546-Y591 HydrophobicContact CB-CD1 3.65Å; F546-Y591 HydrophobicContact CB-CD2 4.48Å; F546-Y591 HydrophobicContact CB-CE1 3.93Å; F546-Y591 HydrophobicContact CB-CG 3.94Å; F546-Y591 HydrophobicContact CD1-CD1 4.38Å; F546-Y591 HydrophobicContact CD1-CG 4.2Å; F546-Y591 HydrophobicContact CD2-CD1 4.49Å; F546-Y591 HydrophobicContact CD2-CD2 4.08Å; F546-Y591 AromaticContact CD2-CG 3.92Å; F546-Y591 HydrophobicContact CD2-CG 3.92Å; F546-Y591 HydrophobicContact CE2-CG 4.46Å; F546-Y591 AromaticContact CG-CD1 3.96Å; F546-Y591 HydrophobicContact CG-CD1 3.96Å; F546-Y591 HydrophobicContact CG-CD2 4.35Å; F546-Y591 AromaticContact CG-CG 3.77Å; F546-Y591 HydrophobicContact CG-CG 3.77Å; F546-Y591 WeakPolarHBondContact O-CE1 3.35Å |
| 547 | K | 75.9 | Confident | 68.2 | Low | 88 Ų | 88 | 66.5 Ų | 66.5 | 38% | 0.383 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68.3 | -39 | 176 | -76.1 | -175.7 | 176.2 | -176.2 | 0 | 113 | L535 R543 N544 V545 I549 E550 K551 | L535-K547 HydrophobicContact CD2-CG 4.39Å; R543-K547 HydrophobicContact CG-CD 4.31Å; R543-K547 WeakPolarHBondContact O-CB 3.1Å; R543-K547 WeakPolarHBondContact O-CG 3.42Å; R543-K547 PolarHBondContact O-N 3.44Å; N544-K547 PolarHBondContact O-N 2.96Å; V545-K547 PolarHBondContact O-N 3.1Å; K547-I549 VanDerWaalsContact C-N 3.33Å; K547-E550 PolarHBondContact O-N 3.41Å; K547-K551 PolarHBondContact O-N 3.25Å |
| 548 | N | 69.9 | Low | 67 | Low | 58 Ų | 58 | 68.8 Ų | 68.8 | 31% | 0.31 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 177 | -75.2 | -8.7 | 0 | 0 | 0 | 110.6 | N544 V545 E550 K551 S552 | N544-N548 WeakPolarHBondContact O-CB 3.17Å; N544-N548 PolarHBondContact O-N 3.17Å; N544-N548 PolarHBondContact O-OD1 2.84Å; V545-N548 PolarHBondContact O-N 3.42Å; N548-E550 PolarHBondContact O-N 3.24Å; N548-K551 PolarHBondContact O-N 3.36Å; N548-S552 PolarHBondContact O-N 3.5Å; N548-S552 VanDerWaalsContact O-N 3.07Å; N548-S552 PolarHBondContact O-OG 2.95Å |
| 549 | I | 64.6 | Low | 65.7 | Low | 10 Ų | 10 | 76.1 Ų | 76.1 | 5% | 0.051 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -59.2 | -45.4 | 176.1 | -67.3 | 157.8 | 0 | 0 | 0 | 111.7 | V545 F546 K547 K551 S552 I553 T567 F595 | V545-I549 HydrophobicContact CG1-CD1 3.79Å; V545-I549 VanDerWaalsContact O-CD1 3.24Å; V545-I549 WeakPolarHBondContact O-CD1 3.35Å; V545-I549 VanDerWaalsContact O-CG1 3.23Å; V545-I549 WeakPolarHBondContact O-CG1 3.02Å; V545-I549 PolarHBondContact O-N 3.38Å; V545-I549 VanDerWaalsContact O-N 3.12Å; F546-I549 HydrophobicContact CD1-CD1 4.36Å; K547-I549 VanDerWaalsContact C-N 3.33Å; I549-K551 VanDerWaalsContact C-N 3.31Å; I549-K551 PolarHBondContact O-N 2.73Å; I549-S552 PolarHBondContact O-N 3.43Å; I549-S552 VanDerWaalsContact O-N 3.13Å; I549-I553 HydrophobicContact CG2-CD1 3.55Å; I549-I553 HydrophobicContact CG2-CG1 4.2Å; I549-I553 VanDerWaalsContact O-CG1 3.31Å; I549-I553 WeakPolarHBondContact O-CG1 3.43Å; I549-I553 PolarHBondContact O-N 2.82Å; I549-T567 HydrophobicContact CD1-CG2 4.12Å; I549-T567 HydrophobicContact CG1-CG2 4.07Å; I549-F595 HydrophobicContact CB-CD2 4.39Å; I549-F595 HydrophobicContact CD1-CD2 3.18Å; I549-F595 HydrophobicContact CD1-CE2 3.43Å; I549-F595 VanDerWaalsContact CD1-CE2 3.43Å; I549-F595 HydrophobicContact CD1-CG 4.2Å; I549-F595 HydrophobicContact CG1-CD2 3.57Å; I549-F595 HydrophobicContact CG1-CE2 3.63Å; I549-F595 HydrophobicContact CG2-CD2 3.9Å |
| 550 | E | 67.1 | Low | 64.5 | Low | 84 Ų | 84 | 77.1 Ų | 77.1 | 39% | 0.393 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.2 | -39 | -179 | -173.8 | 156.9 | -144.1 | 0 | 0 | 112.4 | F546 K547 N548 Y591 K594 | F546-E550 PolarHBondContact O-N 2.83Å; F546-E550 VanDerWaalsContact O-N 3.17Å; K547-E550 PolarHBondContact O-N 3.41Å; N548-E550 PolarHBondContact O-N 3.24Å; E550-Y591 HydrophobicContact CB-CE1 4.32Å; E550-Y591 PolarHBondContact OE2-OH 3.22Å; E550-K594 IonicContact OE1-NZ 2.74Å |
| 551 | K | 67.1 | Low | 63.8 | Low | 153 Ų | 153 | 72.9 Ų | 72.9 | 67% | 0.665 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -63.2 | -44.3 | 172 | -70.2 | 178.8 | 179.6 | 178.1 | 0 | 111.5 | K547 N548 I549 S554 | K547-K551 PolarHBondContact O-N 3.25Å; N548-K551 PolarHBondContact O-N 3.36Å; I549-K551 VanDerWaalsContact C-N 3.31Å; I549-K551 PolarHBondContact O-N 2.73Å; K551-S554 PolarHBondContact O-N 3.02Å; K551-S554 PolarHBondContact O-OG 3.03Å |
| 552 | S | 59.9 | Low | 63.1 | Low | 32 Ų | 32 | 71.6 Ų | 71.6 | 22% | 0.224 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -67.4 | -37 | -177.6 | -52.5 | 0 | 0 | 0 | 0 | 113.7 | N548 I549 S554 G555 V564 | N548-S552 PolarHBondContact O-N 3.5Å; N548-S552 VanDerWaalsContact O-N 3.07Å; N548-S552 PolarHBondContact O-OG 2.95Å; I549-S552 PolarHBondContact O-N 3.43Å; I549-S552 VanDerWaalsContact O-N 3.13Å; S552-S554 PolarHBondContact O-N 3.12Å; S552-G555 PolarHBondContact O-N 3.3Å; S552-V564 VanDerWaalsContact OG-CG2 3.29Å; S552-V564 WeakPolarHBondContact OG-CG2 3.35Å |
| 553 | I | 55.9 | Low | 62.5 | Low | 77 Ų | 77 | 76.3 Ų | 76.3 | 40% | 0.395 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.6 | -24.7 | 178 | -67.6 | 167.5 | 0 | 0 | 0 | 111.6 | I549 K594 F598 | I549-I553 HydrophobicContact CG2-CD1 3.55Å; I549-I553 HydrophobicContact CG2-CG1 4.2Å; I549-I553 VanDerWaalsContact O-CG1 3.31Å; I549-I553 WeakPolarHBondContact O-CG1 3.43Å; I549-I553 PolarHBondContact O-N 2.82Å; I553-K594 HydrophobicContact CD1-CB 4.17Å; I553-F598 HydrophobicContact CD1-CB 4.43Å; I553-F598 HydrophobicContact CG1-CB 4.28Å; I553-F598 HydrophobicContact CG1-CD2 3.85Å; I553-F598 HydrophobicContact CG1-CG 4.24Å |
| 554 | S | 54.6 | Low | 61.8 | Low | 105 Ų | 105 | 74.2 Ų | 74.2 | 73% | 0.734 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -9.8 | 179.2 | 71.1 | 0 | 0 | 0 | 0 | 115.2 | K551 S552 | K551-S554 PolarHBondContact O-N 3.02Å; K551-S554 PolarHBondContact O-OG 3.03Å; S552-S554 PolarHBondContact O-N 3.12Å |
| 555 | G | 47.8 | Very low | 61.3 | Low | 39 Ų | 39 | 74.8 Ų | 74.8 | 40% | 0.402 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -108.9 | 148.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | S552 C557 | S552-G555 PolarHBondContact O-N 3.3Å; G555-C557 PolarHBondContact O-N 2.97Å; G555-C557 VanDerWaalsContact O-N 3.11Å; G555-C557 PolarHBondContact O-SG 3.48Å |
| 556 | D | 44.1 | Very low | 61.1 | Low | 169 Ų | 169 | 78.8 Ų | 78.8 | 90% | 0.904 | 44% | 0.443 | S | S | * | . | trans | -59.5 | 109.9 | 175.9 | -86.9 | -29.7 | 0 | 0 | 0 | 111.3 | N558 | D556-N558 VanDerWaalsContact C-N 3.28Å; D556-N558 PolarHBondContact O-N 2.7Å | ||
| 557 | C | 44.1 | Very low | 60.7 | Low | 52 Ų | 52 | 79 Ų | 79 | 35% | 0.351 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | 47.6 | -165.2 | -69.2 | 0 | 0 | 0 | 0 | 115.5 | G555 | G555-C557 PolarHBondContact O-N 2.97Å; G555-C557 VanDerWaalsContact O-N 3.11Å; G555-C557 PolarHBondContact O-SG 3.48Å |
| 558 | N | 50.8 | Low | 60.4 | Low | 152 Ų | 152 | 75.7 Ų | 75.7 | 81% | 0.813 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -20.8 | 177 | -73.7 | -16.6 | 0 | 0 | 0 | 114.4 | D556 | D556-N558 VanDerWaalsContact C-N 3.28Å; D556-N558 PolarHBondContact O-N 2.7Å |
| 559 | N | 51.5 | Low | 60.6 | Low | 156 Ų | 156 | 77.7 Ų | 77.7 | 83% | 0.834 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -134.8 | 100.1 | 175.2 | -74.8 | -26 | 0 | 0 | 0 | 110 | S561 | N559-S561 PolarHBondContact O-N 2.86Š|
| 560 | L | 54.5 | Low | 61.1 | Low | 60 Ų | 60 | 82.6 Ų | 82.6 | 31% | 0.314 | 46% | 0.464 | S | S | . | . | trans | -67.8 | 120 | 173.6 | -69.6 | 149.4 | 0 | 0 | 0 | 108.9 | V564 F598 L605 | L560-V564 HydrophobicContact CD2-CB 4.45Å; L560-V564 HydrophobicContact CD2-CG1 3.78Å; L560-F598 HydrophobicContact CD2-CZ 4.03Å; L560-L605 HydrophobicContact CD1-CD2 3.32Å; L560-L605 HydrophobicContact CD1-CG 4.06Å; L560-L605 HydrophobicContact CD2-CD2 4.28Å; L560-L605 HydrophobicContact CG-CD2 4.43Å | ||
| 561 | S | 61.9 | Low | 61.4 | Low | 57 Ų | 57 | 78.7 Ų | 78.7 | 40% | 0.399 | 45% | 0.446 | S | S | . | . | trans | -64.3 | 154.7 | 176.8 | 62.8 | 0 | 0 | 0 | 0 | 111.3 | N559 D563 V564 I565 | N559-S561 PolarHBondContact O-N 2.86Å; S561-D563 PolarHBondContact O-N 3.08Å; S561-V564 PolarHBondContact O-N 3.22Å; S561-V564 WeakPolarHBondContact OG-CG2 3.35Å; S561-I565 PolarHBondContact O-N 3.11Å | ||
| 562 | A | 64.1 | Low | 61.7 | Low | 69 Ų | 69 | 73.9 Ų | 73.9 | 57% | 0.57 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -51.9 | -40.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V564 I565 D566 | A562-V564 VanDerWaalsContact C-N 3.26Å; A562-V564 PolarHBondContact O-N 2.52Å; A562-I565 WeakPolarHBondContact O-CB 3.41Å; A562-I565 PolarHBondContact O-N 2.77Å; A562-D566 PolarHBondContact O-N 2.64Å |
| 563 | D | 66.1 | Low | 62.5 | Low | 100 Ų | 100 | 74.7 Ų | 74.7 | 54% | 0.535 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -54.6 | -37.4 | 175.7 | -57 | -20 | 0 | 0 | 0 | 113.5 | S561 T567 | S561-D563 PolarHBondContact O-N 3.08Å; D563-T567 VanDerWaalsContact O-CB 3.32Å; D563-T567 WeakPolarHBondContact O-CB 3.35Å; D563-T567 PolarHBondContact O-N 3.38Å; D563-T567 PolarHBondContact O-OG1 2.96Å |
| 564 | V | 65.3 | Low | 63.6 | Low | 12 Ų | 12 | 71.5 Ų | 71.5 | 7% | 0.073 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -71 | -38.8 | 179.5 | 175.1 | 0 | 0 | 0 | 0 | 110.6 | S552 L560 S561 A562 T567 I568 F598 | S552-V564 VanDerWaalsContact OG-CG2 3.29Å; S552-V564 WeakPolarHBondContact OG-CG2 3.35Å; L560-V564 HydrophobicContact CD2-CB 4.45Å; L560-V564 HydrophobicContact CD2-CG1 3.78Å; S561-V564 PolarHBondContact O-N 3.22Å; S561-V564 WeakPolarHBondContact OG-CG2 3.35Å; A562-V564 VanDerWaalsContact C-N 3.26Å; A562-V564 PolarHBondContact O-N 2.52Å; V564-T567 WeakPolarHBondContact O-CB 3.43Å; V564-T567 PolarHBondContact O-N 3.2Å; V564-I568 HydrophobicContact CG1-CD1 3.98Å; V564-I568 HydrophobicContact CG1-CG1 4.49Å; V564-I568 VanDerWaalsContact O-CG1 3.23Å; V564-I568 WeakPolarHBondContact O-CG1 3.41Å; V564-I568 PolarHBondContact O-N 3.05Å; V564-F598 HydrophobicContact CG1-CE1 4.4Å |
| 565 | I | 67.1 | Low | 64.9 | Low | 87 Ų | 87 | 66.5 Ų | 66.5 | 45% | 0.446 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.9 | -44.6 | 177.1 | -62.2 | 174.8 | 0 | 0 | 0 | 110 | S561 A562 T567 I568 N569 | S561-I565 PolarHBondContact O-N 3.11Å; A562-I565 WeakPolarHBondContact O-CB 3.41Å; A562-I565 PolarHBondContact O-N 2.77Å; I565-T567 VanDerWaalsContact C-N 3.32Å; I565-T567 PolarHBondContact O-N 3.39Å; I565-I568 WeakPolarHBondContact O-CB 3.33Å; I565-I568 PolarHBondContact O-N 2.85Å; I565-N569 PolarHBondContact O-N 3.19Å; I565-N569 PolarHBondContact O-ND2 3.05Å |
| 566 | D | 70.7 | Confident | 66.5 | Low | 90 Ų | 90 | 69.9 Ų | 69.9 | 48% | 0.481 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 175.7 | -69.9 | -21.2 | 0 | 0 | 0 | 111.2 | A562 I568 N569 E570 | A562-D566 PolarHBondContact O-N 2.64Å; D566-I568 VanDerWaalsContact C-N 3.31Å; D566-I568 PolarHBondContact O-N 2.81Å; D566-N569 WeakPolarHBondContact O-CB 3.33Å; D566-N569 PolarHBondContact O-N 3.39Å; D566-E570 PolarHBondContact O-N 3.26Å |
| 567 | T | 71.8 | Confident | 68.3 | Low | 9 Ų | 9 | 63.7 Ų | 63.7 | 6% | 0.055 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.7 | -39.8 | 175 | -55.9 | 0 | 0 | 0 | 0 | 112.2 | V545 I549 D563 V564 I565 N569 L571 | V545-T567 HydrophobicContact CB-CG2 4.09Å; V545-T567 HydrophobicContact CG1-CG2 3.46Å; V545-T567 VanDerWaalsContact CG1-CG2 3.46Å; V545-T567 HydrophobicContact CG2-CG2 4.01Å; I549-T567 HydrophobicContact CD1-CG2 4.12Å; I549-T567 HydrophobicContact CG1-CG2 4.07Å; D563-T567 VanDerWaalsContact O-CB 3.32Å; D563-T567 WeakPolarHBondContact O-CB 3.35Å; D563-T567 PolarHBondContact O-N 3.38Å; D563-T567 PolarHBondContact O-OG1 2.96Å; V564-T567 WeakPolarHBondContact O-CB 3.43Å; V564-T567 PolarHBondContact O-N 3.2Å; I565-T567 VanDerWaalsContact C-N 3.32Å; I565-T567 PolarHBondContact O-N 3.39Å; T567-N569 VanDerWaalsContact C-N 3.33Å; T567-L571 PolarHBondContact O-N 3.3Å |
| 568 | I | 69.2 | Low | 70.2 | Confident | 18 Ų | 18 | 61.2 Ų | 61.2 | 9% | 0.092 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.1 | -36.6 | 175.7 | -69.2 | 165.7 | 0 | 0 | 0 | 111 | V564 I565 D566 L571 F595 L599 L605 | V564-I568 HydrophobicContact CG1-CD1 3.98Å; V564-I568 HydrophobicContact CG1-CG1 4.49Å; V564-I568 VanDerWaalsContact O-CG1 3.23Å; V564-I568 WeakPolarHBondContact O-CG1 3.41Å; V564-I568 PolarHBondContact O-N 3.05Å; I565-I568 WeakPolarHBondContact O-CB 3.33Å; I565-I568 PolarHBondContact O-N 2.85Å; D566-I568 VanDerWaalsContact C-N 3.31Å; D566-I568 PolarHBondContact O-N 2.81Å; I568-L571 WeakPolarHBondContact O-CB 3.26Å; I568-F595 HydrophobicContact CG1-CZ 3.98Å; I568-L599 HydrophobicContact CD1-CD2 4.1Å; I568-L599 HydrophobicContact CG1-CD2 4.09Å; I568-L605 HydrophobicContact CD1-CD1 4.47Å; I568-L605 HydrophobicContact CD1-CD2 4.07Å |
| 569 | N | 73.6 | Confident | 71.9 | Confident | 101 Ų | 101 | 54 Ų | 54 | 54% | 0.54 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -72.1 | -35.1 | -179.8 | -71.3 | -33 | 0 | 0 | 0 | 113.2 | I565 D566 T567 L571 P572 | I565-N569 PolarHBondContact O-N 3.19Å; I565-N569 PolarHBondContact O-ND2 3.05Å; D566-N569 WeakPolarHBondContact O-CB 3.33Å; D566-N569 PolarHBondContact O-N 3.39Å; T567-N569 VanDerWaalsContact C-N 3.33Å; N569-L571 VanDerWaalsContact C-N 3.28Å; N569-L571 PolarHBondContact O-N 3.25Å; N569-P572 VanDerWaalsContact O-CD 3.27Å; N569-P572 WeakPolarHBondContact O-CD 3.12Å |
| 570 | E | 76 | Confident | 73.3 | Confident | 112 Ų | 112 | 52.3 Ų | 52.3 | 52% | 0.523 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -75.1 | -17.9 | 177.8 | -68.4 | -172 | 168.5 | 0 | 0 | 113.8 | D566 G573 I574 | D566-E570 PolarHBondContact O-N 3.26Å; E570-G573 PolarHBondContact O-N 2.71Å; E570-I574 HydrophobicContact CB-CD1 3.9Å; E570-I574 PolarHBondContact O-N 3.49Å; E570-I574 VanDerWaalsContact O-N 3.15Å |
| 571 | L | 73.9 | Confident | 74.5 | Confident | 3 Ų | 3 | 54.6 Ų | 54.6 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -51.9 | -41.4 | -171.6 | -171.1 | 79.5 | 0 | 0 | 0 | 116.1 | T567 I568 N569 G573 I574 T575 F595 L599 Y609 F614 | T567-L571 PolarHBondContact O-N 3.3Å; I568-L571 WeakPolarHBondContact O-CB 3.26Å; N569-L571 VanDerWaalsContact C-N 3.28Å; N569-L571 PolarHBondContact O-N 3.25Å; L571-G573 VanDerWaalsContact C-N 3.28Å; L571-G573 PolarHBondContact O-N 3.41Å; L571-I574 PolarHBondContact O-N 3.34Å; L571-T575 VanDerWaalsContact O-CB 3.31Å; L571-T575 WeakPolarHBondContact O-CB 3.43Å; L571-T575 PolarHBondContact O-N 3.41Å; L571-T575 PolarHBondContact O-OG1 3.35Å; L571-F595 HydrophobicContact CD1-CD1 3.64Å; L571-F595 HydrophobicContact CD1-CE1 3.33Å; L571-F595 HydrophobicContact CD1-CE2 4.31Å; L571-F595 HydrophobicContact CD1-CG 4.26Å; L571-F595 HydrophobicContact CD1-CZ 3.67Å; L571-F595 HydrophobicContact CD2-CD1 3.9Å; L571-F595 HydrophobicContact CD2-CE1 3.22Å; L571-F595 HydrophobicContact CD2-CZ 4Å; L571-F595 HydrophobicContact CG-CD1 4.38Å; L571-F595 HydrophobicContact CG-CE1 3.83Å; L571-F595 HydrophobicContact CG-CZ 4.32Å; L571-L599 HydrophobicContact CD2-CD1 4.27Å; L571-Y609 HydrophobicContact CD2-CD1 3.65Å; L571-Y609 HydrophobicContact CD2-CE1 4.26Å; L571-Y609 HydrophobicContact CD2-CG 4.32Å; L571-Y609 HydrophobicContact CG-CD1 4.42Å; L571-F614 HydrophobicContact CD2-CE1 4.34Å; L571-F614 HydrophobicContact CD2-CZ 3.75Å; L571-F614 HydrophobicContact CG-CZ 4.49Å |
| 572 | P | 73 | Confident | 75.5 | Confident | 51 Ų | 51 | 54.3 Ų | 54.3 | 33% | 0.331 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.2 | -39.1 | 178.8 | -21.9 | 34.4 | 0 | 0 | 0 | 112.1 | N569 K576 Y609 | N569-P572 VanDerWaalsContact O-CD 3.27Å; N569-P572 WeakPolarHBondContact O-CD 3.12Å; P572-K576 WeakPolarHBondContact O-CB 3.25Å; P572-K576 PolarHBondContact O-N 2.91Å; P572-Y609 HydrophobicContact CB-CD2 4Å; P572-Y609 HydrophobicContact CB-CE2 3.57Å; P572-Y609 HydrophobicContact CG-CD2 3.67Å; P572-Y609 HydrophobicContact CG-CE2 3.79Å; P572-Y609 HydrophobicContact CG-CG 4.3Å |
| 573 | G | 76.5 | Confident | 76.2 | Confident | 49 Ų | 49 | 52.1 Ų | 52.1 | 51% | 0.505 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -67.7 | -45.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | E570 L571 K576 S577 | E570-G573 PolarHBondContact O-N 2.71Å; L571-G573 VanDerWaalsContact C-N 3.28Å; L571-G573 PolarHBondContact O-N 3.41Å; G573-K576 PolarHBondContact O-N 3.36Å; G573-S577 WeakPolarHBondContact O-CB 3.37Å; G573-S577 PolarHBondContact O-N 2.73Å |
| 574 | I | 79.7 | Confident | 76.9 | Confident | 11 Ų | 11 | 52.8 Ų | 52.8 | 6% | 0.056 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.5 | -48.2 | 179.2 | -65.7 | 170.4 | 0 | 0 | 0 | 110.8 | I542 V545 E570 L571 K576 S577 C578 | I542-I574 HydrophobicContact CG1-CG2 4.3Å; I542-I574 HydrophobicContact CG2-CG2 4.27Å; V545-I574 HydrophobicContact CB-CD1 3.9Å; V545-I574 HydrophobicContact CG1-CD1 3.78Å; V545-I574 HydrophobicContact CG2-CD1 3.54Å; E570-I574 HydrophobicContact CB-CD1 3.9Å; E570-I574 PolarHBondContact O-N 3.49Å; E570-I574 VanDerWaalsContact O-N 3.15Å; L571-I574 PolarHBondContact O-N 3.34Å; I574-K576 VanDerWaalsContact C-N 3.26Å; I574-K576 PolarHBondContact O-N 2.77Å; I574-S577 WeakPolarHBondContact O-CB 3.29Å; I574-S577 PolarHBondContact O-N 2.76Å; I574-C578 VanDerWaalsContact O-CB 3.32Å; I574-C578 WeakPolarHBondContact O-CB 3.32Å; I574-C578 PolarHBondContact O-N 3.46Å; I574-C578 PolarHBondContact O-SG 3Å |
| 575 | T | 81.2 | Confident | 77.6 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.4 | -43 | 178.4 | -55.8 | 0 | 0 | 0 | 0 | 111.3 | L571 F579 F614 | L571-T575 VanDerWaalsContact O-CB 3.31Å; L571-T575 WeakPolarHBondContact O-CB 3.43Å; L571-T575 PolarHBondContact O-N 3.41Å; L571-T575 PolarHBondContact O-OG1 3.35Å; T575-F579 HydrophobicContact CG2-CD2 3.89Å; T575-F579 HydrophobicContact CG2-CE2 3.37Å; T575-F579 HydrophobicContact CG2-CZ 4.04Å; T575-F579 WeakPolarHBondContact O-CD2 3.34Å; T575-F579 PolarHBondContact O-N 3.47Å; T575-F579 VanDerWaalsContact O-N 3.11Å; T575-F614 HydrophobicContact CG2-CD1 3.67Å; T575-F614 HydrophobicContact CG2-CE1 4.14Å |
| 576 | K | 82.6 | Confident | 78.3 | Confident | 109 Ų | 109 | 52.4 Ų | 52.4 | 47% | 0.474 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66 | -41.6 | 176.9 | -171.3 | -178.2 | -179.7 | -173.1 | 0 | 112 | P572 G573 I574 K580 Y621 | P572-K576 WeakPolarHBondContact O-CB 3.25Å; P572-K576 PolarHBondContact O-N 2.91Å; G573-K576 PolarHBondContact O-N 3.36Å; I574-K576 VanDerWaalsContact C-N 3.26Å; I574-K576 PolarHBondContact O-N 2.77Å; K576-K580 VanDerWaalsContact O-CB 3.24Å; K576-K580 WeakPolarHBondContact O-CB 2.96Å; K576-K580 PolarHBondContact O-N 3.43Å; K576-K580 VanDerWaalsContact O-N 3.12Å; K576-Y621 WeakPolarHBondContact CE-OH 3.15Å; K576-Y621 HydrophobicContact CG-CE2 3.74Å |
| 577 | S | 81.5 | Confident | 78.8 | Confident | 40 Ų | 40 | 48.1 Ų | 48.1 | 28% | 0.28 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -64.6 | -46.6 | 176.4 | -169.1 | 0 | 0 | 0 | 0 | 111.6 | G573 I574 F579 K580 H581 | G573-S577 WeakPolarHBondContact O-CB 3.37Å; G573-S577 PolarHBondContact O-N 2.73Å; I574-S577 WeakPolarHBondContact O-CB 3.29Å; I574-S577 PolarHBondContact O-N 2.76Å; S577-F579 PolarHBondContact O-N 3.27Å; S577-K580 PolarHBondContact O-N 2.92Å; S577-H581 PolarHBondContact O-N 2.94Å |
| 578 | C | 84.4 | Confident | 79.3 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -53.4 | -54.2 | 175.9 | -75.5 | 0 | 0 | 0 | 0 | 112.1 | I574 K580 Y582 S583 V588 | I574-C578 VanDerWaalsContact O-CB 3.32Å; I574-C578 WeakPolarHBondContact O-CB 3.32Å; I574-C578 PolarHBondContact O-N 3.46Å; I574-C578 PolarHBondContact O-SG 3Å; C578-K580 PolarHBondContact O-N 2.67Å; C578-Y582 CarbonylContact O-C 3.45Å; C578-Y582 VanDerWaalsContact O-CA 3.23Å; C578-Y582 WeakPolarHBondContact O-CA 3.46Å; C578-Y582 WeakPolarHBondContact O-CB 3.46Å; C578-Y582 PolarHBondContact O-N 2.99Å; C578-S583 PolarHBondContact O-N 3.33Å; C578-V588 HydrophobicContact CB-CG1 3.66Å |
| 579 | F | 84.8 | Confident | 80.2 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -71.3 | -28.6 | -179.5 | -62.3 | -38.1 | 0 | 0 | 0 | 113.9 | T575 S577 S583 Y589 L592 L618 Y621 V622 F659 | T575-F579 HydrophobicContact CG2-CD2 3.89Å; T575-F579 HydrophobicContact CG2-CE2 3.37Å; T575-F579 HydrophobicContact CG2-CZ 4.04Å; T575-F579 WeakPolarHBondContact O-CD2 3.34Å; T575-F579 PolarHBondContact O-N 3.47Å; T575-F579 VanDerWaalsContact O-N 3.11Å; S577-F579 PolarHBondContact O-N 3.27Å; F579-S583 WeakPolarHBondContact O-CB 3.46Å; F579-Y589 HydrophobicContact CD1-CE1 4.29Å; F579-Y589 HydrophobicContact CE1-CD1 4.33Å; F579-Y589 AromaticContact CE1-CE1 3.78Å; F579-Y589 HydrophobicContact CE1-CE1 3.78Å; F579-L592 HydrophobicContact CE1-CD1 3.67Å; F579-L592 HydrophobicContact CZ-CD1 3.67Å; F579-L618 HydrophobicContact CD1-CD1 4.01Å; F579-L618 HydrophobicContact CD2-CB 4.39Å; F579-L618 HydrophobicContact CE1-CD1 3.8Å; F579-L618 HydrophobicContact CE2-CB 4.07Å; F579-L618 HydrophobicContact CG-CD1 4.5Å; F579-L618 HydrophobicContact CZ-CB 4.29Å; F579-L618 HydrophobicContact CZ-CD1 4.09Å; F579-Y621 HydrophobicContact CB-CD2 4.32Å; F579-Y621 HydrophobicContact CB-CG 4.49Å; F579-Y621 WeakPolarHBondContact O-CB 3.31Å; F579-V622 HydrophobicContact CB-CG2 4.12Å; F579-V622 HydrophobicContact CD1-CG2 4.35Å; F579-V622 HydrophobicContact CG-CG2 4.46Å; F579-F659 HydrophobicContact CE1-CE1 4.43Å; F579-F659 AromaticContact CZ-CE1 3.84Å; F579-F659 HydrophobicContact CZ-CE1 3.84Å; F579-F659 AromaticContact CZ-CZ 3.69Å; F579-F659 HydrophobicContact CZ-CZ 3.69Å |
| 580 | K | 80.6 | Confident | 80.7 | Confident | 121 Ų | 121 | 42.9 Ų | 42.9 | 53% | 0.526 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -77 | -37.6 | -179.5 | -174.4 | -178.5 | 172.1 | -156.2 | 0 | 112.9 | K576 S577 C578 Y621 | K576-K580 VanDerWaalsContact O-CB 3.24Å; K576-K580 WeakPolarHBondContact O-CB 2.96Å; K576-K580 PolarHBondContact O-N 3.43Å; K576-K580 VanDerWaalsContact O-N 3.12Å; S577-K580 PolarHBondContact O-N 2.92Å; C578-K580 PolarHBondContact O-N 2.67Å; K580-Y621 HydrophobicContact CB-CD1 3.89Å; K580-Y621 HydrophobicContact CB-CE1 4.17Å; K580-Y621 HydrophobicContact CB-CG 4.18Å; K580-Y621 HydrophobicContact CD-CE1 4.12Å; K580-Y621 HydrophobicContact CG-CD1 3.95Å; K580-Y621 HydrophobicContact CG-CE1 4.06Å |
| 581 | H | 80.8 | Confident | 81 | Confident | 107 Ų | 107 | 38.1 Ų | 38.1 | 50% | 0.495 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -117 | -22.3 | -169.7 | -64.5 | -67.1 | 0 | 0 | 0 | 113.9 | S577 | S577-H581 PolarHBondContact O-N 2.94Å |
| 582 | Y | 83.1 | Confident | 81.5 | Confident | 52 Ų | 52 | 38 Ų | 38 | 20% | 0.204 | 20% | 0.198 | C | C | . | . | trans | -130.9 | 25.4 | -170.1 | -50.6 | -71.6 | 0 | 0 | 0 | 112.5 | L538 P539 I542 C578 N584 Y585 | L538-Y582 HydrophobicContact CD2-CD1 4.01Å; L538-Y582 HydrophobicContact CD2-CD2 4.33Å; L538-Y582 HydrophobicContact CD2-CG 3.87Å; P539-Y582 HydrophobicContact CG-CE1 4.33Å; P539-Y582 HydrophobicContact CG-CE2 3.94Å; P539-Y582 WeakPolarHBondContact CG-OH 3.35Å; I542-Y582 HydrophobicContact CD1-CD2 3.99Å; I542-Y582 HydrophobicContact CD1-CE2 3.79Å; C578-Y582 CarbonylContact O-C 3.45Å; C578-Y582 VanDerWaalsContact O-CA 3.23Å; C578-Y582 WeakPolarHBondContact O-CA 3.46Å; C578-Y582 WeakPolarHBondContact O-CB 3.46Å; C578-Y582 PolarHBondContact O-N 2.99Å; Y582-N584 PolarHBondContact O-N 3.1Å; Y582-Y585 HydrophobicContact CD1-CD2 4.42Å; Y582-Y585 HydrophobicContact CD1-CE2 4.24Å; Y582-Y585 WeakPolarHBondContact O-CB 3.45Å; Y582-Y585 PolarHBondContact O-N 3.38Å; Y582-Y585 VanDerWaalsContact O-N 3.14Å | ||
| 583 | S | 78.7 | Confident | 82 | Confident | 22 Ų | 22 | 35.7 Ų | 35.7 | 15% | 0.154 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -18.5 | 179.8 | 50.6 | 0 | 0 | 0 | 0 | 114.4 | C578 F579 Y585 Y589 | C578-S583 PolarHBondContact O-N 3.33Å; F579-S583 WeakPolarHBondContact O-CB 3.46Å; S583-Y585 VanDerWaalsContact C-N 3.33Å; S583-Y589 WeakPolarHBondContact O-CE2 3.3Å; S583-Y589 PolarHBondContact O-OH 3.36Å; S583-Y589 VanDerWaalsContact O-OH 3.04Å |
| 584 | N | 80.2 | Confident | 82.1 | Confident | 115 Ų | 115 | 35.1 Ų | 35.1 | 62% | 0.615 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90 | 3 | 178.3 | -64.9 | -10.9 | 0 | 0 | 0 | 113.1 | Y582 P586 | Y582-N584 PolarHBondContact O-N 3.1Å; N584-P586 WeakPolarHBondContact O-CD 3.24Å |
| 585 | Y | 80.6 | Confident | 82.1 | Confident | 78 Ų | 78 | 34.8 Ų | 34.8 | 31% | 0.306 | 17% | 0.165 | S | C | . | . | trans | -97.7 | 113.9 | -175.6 | -73.6 | -114.2 | 0 | 0 | 0 | 109.9 | N537 Y582 S583 V587 V588 | N537-Y585 HydrophobicContact CB-CE1 3.96Å; Y582-Y585 HydrophobicContact CD1-CD2 4.42Å; Y582-Y585 HydrophobicContact CD1-CE2 4.24Å; Y582-Y585 WeakPolarHBondContact O-CB 3.45Å; Y582-Y585 PolarHBondContact O-N 3.38Å; Y582-Y585 VanDerWaalsContact O-N 3.14Å; S583-Y585 VanDerWaalsContact C-N 3.33Å; Y585-V587 PolarHBondContact O-N 2.86Å; Y585-V588 WeakPolarHBondContact O-CB 3.3Å; Y585-V588 PolarHBondContact O-N 3.21Å; Y585-V588 VanDerWaalsContact O-N 3.08Å | ||
| 586 | P | 80.6 | Confident | 81.9 | Confident | 12 Ų | 12 | 34.8 Ų | 34.8 | 8% | 0.078 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.4 | -37.9 | -176.9 | -22.6 | 30.6 | 0 | 0 | 0 | 113.1 | N584 V588 Y589 Q590 L651 L652 Y655 | N584-P586 WeakPolarHBondContact O-CD 3.24Å; P586-V588 VanDerWaalsContact C-N 3.26Å; P586-V588 PolarHBondContact O-N 2.99Å; P586-Y589 PolarHBondContact O-N 3.33Å; P586-Y589 VanDerWaalsContact O-N 3.15Å; P586-Q590 PolarHBondContact O-N 2.96Å; P586-L651 HydrophobicContact CB-CB 3.96Å; P586-L651 HydrophobicContact CG-CB 4.13Å; P586-L652 HydrophobicContact CG-CB 4.09Å; P586-Y655 HydrophobicContact CB-CD2 3.67Å; P586-Y655 HydrophobicContact CB-CE2 4.21Å |
| 587 | V | 81.4 | Confident | 81.7 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.3 | -34.8 | 179.1 | 171.6 | 0 | 0 | 0 | 0 | 112.9 | I531 S534 L535 L538 Y585 Y589 Q590 Y591 | I531-V587 HydrophobicContact CB-CG2 4.45Å; I531-V587 HydrophobicContact CG2-CG2 4.03Å; S534-V587 WeakPolarHBondContact OG-CG2 3.3Å; L535-V587 HydrophobicContact CB-CG1 4.44Å; L535-V587 HydrophobicContact CD1-CG1 3.8Å; L538-V587 HydrophobicContact CD1-CG1 4.42Å; Y585-V587 PolarHBondContact O-N 2.86Å; V587-Y589 VanDerWaalsContact C-N 3.33Å; V587-Y589 PolarHBondContact O-N 3.42Å; V587-Q590 WeakPolarHBondContact O-CB 3.43Å; V587-Q590 PolarHBondContact O-N 3.14Å; V587-Y591 HydrophobicContact CG1-CD2 3.49Å; V587-Y591 VanDerWaalsContact CG1-CD2 3.49Å; V587-Y591 HydrophobicContact CG1-CE2 3.57Å; V587-Y591 WeakPolarHBondContact O-CD2 3.39Å; V587-Y591 PolarHBondContact O-N 3.09Å |
| 588 | V | 84.1 | Confident | 81.3 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.4 | -47.3 | 177.8 | 169.1 | 0 | 0 | 0 | 0 | 110.6 | L538 C578 Y585 P586 L592 | L538-V588 HydrophobicContact CD2-CG2 4.18Å; C578-V588 HydrophobicContact CB-CG1 3.66Å; Y585-V588 WeakPolarHBondContact O-CB 3.3Å; Y585-V588 PolarHBondContact O-N 3.21Å; Y585-V588 VanDerWaalsContact O-N 3.08Å; P586-V588 VanDerWaalsContact C-N 3.26Å; P586-V588 PolarHBondContact O-N 2.99Å; V588-L592 HydrophobicContact CG1-CD1 3.81Å; V588-L592 HydrophobicContact CG1-CG 4.47Å; V588-L592 WeakPolarHBondContact O-CB 3.3Å; V588-L592 WeakPolarHBondContact O-CG 3.27Å; V588-L592 PolarHBondContact O-N 3.36Å |
| 589 | Y | 86.9 | Confident | 80.9 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 0% | 0.004 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -70.9 | -35.2 | 179.7 | -60.3 | -79.3 | 0 | 0 | 0 | 112.4 | F579 S583 P586 V587 S593 L618 L652 Y655 L656 F659 | F579-Y589 HydrophobicContact CD1-CE1 4.29Å; F579-Y589 HydrophobicContact CE1-CD1 4.33Å; F579-Y589 AromaticContact CE1-CE1 3.78Å; F579-Y589 HydrophobicContact CE1-CE1 3.78Å; S583-Y589 WeakPolarHBondContact O-CE2 3.3Å; S583-Y589 PolarHBondContact O-OH 3.36Å; S583-Y589 VanDerWaalsContact O-OH 3.04Å; P586-Y589 PolarHBondContact O-N 3.33Å; P586-Y589 VanDerWaalsContact O-N 3.15Å; V587-Y589 VanDerWaalsContact C-N 3.33Å; V587-Y589 PolarHBondContact O-N 3.42Å; Y589-S593 WeakPolarHBondContact O-CB 3.21Å; Y589-S593 PolarHBondContact O-N 3.03Å; Y589-L618 HydrophobicContact CE1-CD1 3.88Å; Y589-L652 HydrophobicContact CD2-CD1 3.8Å; Y589-L652 HydrophobicContact CE2-CD1 3.5Å; Y589-L652 VanDerWaalsContact CE2-CD1 3.5Å; Y589-Y655 WeakPolarHBondContact CB-O 3.21Å; Y589-L656 HydrophobicContact CD1-CB 4.41Å; Y589-L656 HydrophobicContact CD1-CD1 3.76Å; Y589-L656 HydrophobicContact CE1-CD1 3.42Å; Y589-L656 VanDerWaalsContact CE1-CD1 3.42Å; Y589-L656 HydrophobicContact CG-CB 4.41Å; Y589-F659 HydrophobicContact CD1-CB 4.27Å; Y589-F659 HydrophobicContact CD1-CD1 4.07Å; Y589-F659 HydrophobicContact CD1-CG 4.23Å |
| 590 | Q | 84.4 | Confident | 80.4 | Confident | 17 Ų | 17 | 33.6 Ų | 33.6 | 8% | 0.079 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.7 | -51.4 | 175.5 | -171.9 | -171.7 | 22 | 0 | 0 | 111.6 | P586 V587 S593 K594 Y655 | P586-Q590 PolarHBondContact O-N 2.96Å; V587-Q590 WeakPolarHBondContact O-CB 3.43Å; V587-Q590 PolarHBondContact O-N 3.14Å; Q590-S593 PolarHBondContact O-N 3.05Å; Q590-K594 WeakPolarHBondContact O-CG 3.27Å; Q590-K594 PolarHBondContact O-N 2.75Å; Q590-Y655 HydrophobicContact CB-CD1 3.93Å; Q590-Y655 HydrophobicContact CB-CD2 4.14Å; Q590-Y655 HydrophobicContact CB-CE1 4.2Å; Q590-Y655 HydrophobicContact CB-CE2 4.38Å; Q590-Y655 HydrophobicContact CB-CG 3.92Å; Q590-Y655 HydrophobicContact CG-CD1 4.03Å; Q590-Y655 HydrophobicContact CG-CE1 3.87Å; Q590-Y655 HydrophobicContact CG-CG 4.49Å |
| 591 | Y | 82.4 | Confident | 79.9 | Confident | 12 Ų | 12 | 31.4 Ų | 31.4 | 5% | 0.047 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -71 | -39.3 | -179.6 | -81.8 | -88 | 0 | 0 | 0 | 112.2 | L535 F546 E550 V587 S593 K594 F595 | L535-Y591 HydrophobicContact CD1-CD2 4.19Å; L535-Y591 HydrophobicContact CD1-CE2 3.46Å; L535-Y591 VanDerWaalsContact CD1-CE2 3.46Å; F546-Y591 HydrophobicContact CB-CD1 3.65Å; F546-Y591 HydrophobicContact CB-CD2 4.48Å; F546-Y591 HydrophobicContact CB-CE1 3.93Å; F546-Y591 HydrophobicContact CB-CG 3.94Å; F546-Y591 HydrophobicContact CD1-CD1 4.38Å; F546-Y591 HydrophobicContact CD1-CG 4.2Å; F546-Y591 HydrophobicContact CD2-CD1 4.49Å; F546-Y591 HydrophobicContact CD2-CD2 4.08Å; F546-Y591 AromaticContact CD2-CG 3.92Å; F546-Y591 HydrophobicContact CD2-CG 3.92Å; F546-Y591 HydrophobicContact CE2-CG 4.46Å; F546-Y591 AromaticContact CG-CD1 3.96Å; F546-Y591 HydrophobicContact CG-CD1 3.96Å; F546-Y591 HydrophobicContact CG-CD2 4.35Å; F546-Y591 AromaticContact CG-CG 3.77Å; F546-Y591 HydrophobicContact CG-CG 3.77Å; F546-Y591 WeakPolarHBondContact O-CE1 3.35Å; E550-Y591 HydrophobicContact CB-CE1 4.32Å; E550-Y591 PolarHBondContact OE2-OH 3.22Å; V587-Y591 HydrophobicContact CG1-CD2 3.49Å; V587-Y591 VanDerWaalsContact CG1-CD2 3.49Å; V587-Y591 HydrophobicContact CG1-CE2 3.57Å; V587-Y591 WeakPolarHBondContact O-CD2 3.39Å; V587-Y591 PolarHBondContact O-N 3.09Å; Y591-S593 VanDerWaalsContact C-N 3.3Å; Y591-S593 PolarHBondContact O-N 3.4Å; Y591-K594 PolarHBondContact O-N 3.1Å; Y591-F595 VanDerWaalsContact O-CB 3.3Å; Y591-F595 WeakPolarHBondContact O-CB 3.44Å; Y591-F595 PolarHBondContact O-N 2.97Å |
| 592 | L | 84.4 | Confident | 79.2 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.1 | -36.7 | 174.3 | -71.5 | 176.1 | 0 | 0 | 0 | 112.1 | F579 V588 F595 I596 F614 F659 | F579-L592 HydrophobicContact CE1-CD1 3.67Å; F579-L592 HydrophobicContact CZ-CD1 3.67Å; V588-L592 HydrophobicContact CG1-CD1 3.81Å; V588-L592 HydrophobicContact CG1-CG 4.47Å; V588-L592 WeakPolarHBondContact O-CB 3.3Å; V588-L592 WeakPolarHBondContact O-CG 3.27Å; V588-L592 PolarHBondContact O-N 3.36Å; L592-F595 PolarHBondContact O-N 2.89Å; L592-I596 WeakPolarHBondContact O-CG1 3.26Å; L592-I596 PolarHBondContact O-N 3.38Å; L592-F614 HydrophobicContact CD2-CE1 4.35Å; L592-F659 HydrophobicContact CB-CD2 3.79Å; L592-F659 HydrophobicContact CB-CE2 3.63Å; L592-F659 HydrophobicContact CD1-CE2 4.36Å |
| 593 | S | 83 | Confident | 78 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.007 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.4 | -50.6 | 173.5 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | Y589 Q590 Y591 F595 I596 H597 E662 | Y589-S593 WeakPolarHBondContact O-CB 3.21Å; Y589-S593 PolarHBondContact O-N 3.03Å; Q590-S593 PolarHBondContact O-N 3.05Å; Y591-S593 VanDerWaalsContact C-N 3.3Å; Y591-S593 PolarHBondContact O-N 3.4Å; S593-F595 PolarHBondContact O-N 3.38Å; S593-I596 PolarHBondContact O-N 2.83Å; S593-H597 WeakPolarHBondContact O-CB 3.43Å; S593-H597 PolarHBondContact O-N 3.38Å; S593-E662 VanDerWaalsContact OG-CG 3.28Å; S593-E662 WeakPolarHBondContact OG-CG 3.21Å |
| 594 | K | 79.4 | Confident | 77 | Confident | 38 Ų | 38 | 35.8 Ų | 35.8 | 17% | 0.165 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -54.9 | -40.5 | 173.5 | -74.5 | 179.4 | 178.4 | -179.6 | 0 | 111.8 | E550 I553 Q590 Y591 H597 F598 Y778 | E550-K594 IonicContact OE1-NZ 2.74Å; I553-K594 HydrophobicContact CD1-CB 4.17Å; Q590-K594 WeakPolarHBondContact O-CG 3.27Å; Q590-K594 PolarHBondContact O-N 2.75Å; Y591-K594 PolarHBondContact O-N 3.1Å; K594-H597 WeakPolarHBondContact O-CB 3.09Å; K594-H597 PolarHBondContact O-N 3.23Å; K594-F598 WeakPolarHBondContact O-CB 3.47Å; K594-F598 PolarHBondContact O-N 3.35Å; K594-Y778 WeakPolarHBondContact CG-OH 3.08Å |
| 595 | F | 78.7 | Confident | 76.1 | Confident | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.018 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.7 | -45.6 | -178.2 | -166.6 | -93.6 | 0 | 0 | 0 | 113.1 | I549 I568 L571 Y591 L592 S593 H597 F598 L599 | I549-F595 HydrophobicContact CB-CD2 4.39Å; I549-F595 HydrophobicContact CD1-CD2 3.18Å; I549-F595 HydrophobicContact CD1-CE2 3.43Å; I549-F595 VanDerWaalsContact CD1-CE2 3.43Å; I549-F595 HydrophobicContact CD1-CG 4.2Å; I549-F595 HydrophobicContact CG1-CD2 3.57Å; I549-F595 HydrophobicContact CG1-CE2 3.63Å; I549-F595 HydrophobicContact CG2-CD2 3.9Å; I568-F595 HydrophobicContact CG1-CZ 3.98Å; L571-F595 HydrophobicContact CD1-CD1 3.64Å; L571-F595 HydrophobicContact CD1-CE1 3.33Å; L571-F595 HydrophobicContact CD1-CE2 4.31Å; L571-F595 HydrophobicContact CD1-CG 4.26Å; L571-F595 HydrophobicContact CD1-CZ 3.67Å; L571-F595 HydrophobicContact CD2-CD1 3.9Å; L571-F595 HydrophobicContact CD2-CE1 3.22Å; L571-F595 HydrophobicContact CD2-CZ 4Å; L571-F595 HydrophobicContact CG-CD1 4.38Å; L571-F595 HydrophobicContact CG-CE1 3.83Å; L571-F595 HydrophobicContact CG-CZ 4.32Å; Y591-F595 VanDerWaalsContact O-CB 3.3Å; Y591-F595 WeakPolarHBondContact O-CB 3.44Å; Y591-F595 PolarHBondContact O-N 2.97Å; L592-F595 PolarHBondContact O-N 2.89Å; S593-F595 PolarHBondContact O-N 3.38Å; F595-H597 VanDerWaalsContact C-N 3.26Å; F595-H597 PolarHBondContact O-N 2.88Å; F595-F598 PolarHBondContact O-N 2.94Å; F595-L599 HydrophobicContact CD1-CD1 3.71Å; F595-L599 HydrophobicContact CD1-CG 3.88Å; F595-L599 HydrophobicContact CE1-CD1 3.29Å; F595-L599 HydrophobicContact CE1-CD2 3.93Å; F595-L599 HydrophobicContact CE1-CG 3.51Å; F595-L599 HydrophobicContact CZ-CD1 4.28Å; F595-L599 HydrophobicContact CZ-CD2 4.13Å; F595-L599 HydrophobicContact CZ-CG 4.15Å; F595-L599 WeakPolarHBondContact O-CG 3.46Å; F595-L599 PolarHBondContact O-N 3.34Å |
| 596 | I | 78.3 | Confident | 75.1 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.5 | -44.3 | 174.1 | -72.3 | 178.3 | 0 | 0 | 0 | 109.9 | L592 S593 F598 L599 Y600 F614 F659 E662 I663 I666 | L592-I596 WeakPolarHBondContact O-CG1 3.26Å; L592-I596 PolarHBondContact O-N 3.38Å; S593-I596 PolarHBondContact O-N 2.83Å; I596-F598 PolarHBondContact O-N 3.47Å; I596-L599 PolarHBondContact O-N 2.94Å; I596-Y600 HydrophobicContact CG2-CD2 4.14Å; I596-Y600 WeakPolarHBondContact O-CD2 3.16Å; I596-Y600 PolarHBondContact O-N 3.32Å; I596-Y600 VanDerWaalsContact O-N 3.11Å; I596-F614 HydrophobicContact CD1-CD1 4.19Å; I596-F614 HydrophobicContact CD1-CD2 4.29Å; I596-F614 HydrophobicContact CD1-CE1 4.32Å; I596-F614 HydrophobicContact CD1-CE2 4.35Å; I596-F614 HydrophobicContact CD1-CG 4.15Å; I596-F614 HydrophobicContact CD1-CZ 4.35Å; I596-F614 HydrophobicContact CG1-CE1 4.2Å; I596-F614 HydrophobicContact CG1-CE2 4.09Å; I596-F614 HydrophobicContact CG1-CZ 3.9Å; I596-F659 HydrophobicContact CD1-CD2 3.98Å; I596-F659 HydrophobicContact CD1-CE2 3.36Å; I596-F659 HydrophobicContact CD1-CZ 4.1Å; I596-F659 HydrophobicContact CG1-CE2 4.44Å; I596-E662 HydrophobicContact CB-CB 4.38Å; I596-E662 HydrophobicContact CG2-CB 3.95Å; I596-I663 HydrophobicContact CD1-CD1 4.3Å; I596-I663 HydrophobicContact CD1-CG1 3.69Å; I596-I666 HydrophobicContact CG2-CD1 3.28Å |
| 597 | H | 76.5 | Confident | 74.2 | Confident | 34 Ų | 34 | 37.1 Ų | 37.1 | 16% | 0.157 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.9 | -46.3 | 177.1 | -165.8 | 84.6 | 0 | 0 | 0 | 112 | S593 K594 F595 N601 E662 Y778 | S593-H597 WeakPolarHBondContact O-CB 3.43Å; S593-H597 PolarHBondContact O-N 3.38Å; K594-H597 WeakPolarHBondContact O-CB 3.09Å; K594-H597 PolarHBondContact O-N 3.23Å; F595-H597 VanDerWaalsContact C-N 3.26Å; F595-H597 PolarHBondContact O-N 2.88Å; H597-N601 PolarHBondContact CD2-ND2 3.18Å; H597-N601 VanDerWaalsContact CD2-ND2 3.28Å; H597-N601 PolarHBondContact CE1-ND2 2.91Å; H597-N601 PolarHBondContact NE2-ND2 3.47Å; H597-N601 WeakPolarHBondContact O-CB 3.47Å; H597-N601 PolarHBondContact O-N 3.23Å; H597-N601 VanDerWaalsContact O-N 3.08Å; H597-E662 IonicContact CG-OE2 3.6Å; H597-E662 IonicContact ND1-OE1 2.69Å; H597-E662 IonicContact ND1-OE2 3.59Å; H597-E662 PolarHBondContact ND1-OE2 3.12Å; H597-E662 VanDerWaalsContact ND1-OE2 3.11Å; H597-Y778 AromaticContact CD2-CD2 3.63Å; H597-Y778 AromaticContact CD2-CE2 3.98Å; H597-Y778 AromaticContact CE1-CD2 3.66Å; H597-Y778 AromaticContact NE2-CD2 3.35Å; H597-Y778 WeakPolarHBondContact NE2-CD2 3.14Å |
| 598 | F | 74.5 | Confident | 73.2 | Confident | 17 Ų | 17 | 41.1 Ų | 41.1 | 8% | 0.075 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.8 | -45.6 | 176.5 | 175.3 | -98.2 | 0 | 0 | 0 | 112.8 | I553 L560 V564 K594 F595 I596 Y600 N602 L605 | I553-F598 HydrophobicContact CD1-CB 4.43Å; I553-F598 HydrophobicContact CG1-CB 4.28Å; I553-F598 HydrophobicContact CG1-CD2 3.85Å; I553-F598 HydrophobicContact CG1-CG 4.24Å; L560-F598 HydrophobicContact CD2-CZ 4.03Å; V564-F598 HydrophobicContact CG1-CE1 4.4Å; K594-F598 WeakPolarHBondContact O-CB 3.47Å; K594-F598 PolarHBondContact O-N 3.35Å; F595-F598 PolarHBondContact O-N 2.94Å; I596-F598 PolarHBondContact O-N 3.47Å; F598-Y600 VanDerWaalsContact C-N 3.35Å; F598-Y600 PolarHBondContact O-N 3.32Å; F598-N602 VanDerWaalsContact CD2-ND2 3.27Å; F598-N602 WeakPolarHBondContact CD2-ND2 2.85Å; F598-N602 WeakPolarHBondContact CE2-ND2 3.45Å; F598-N602 PolarHBondContact O-N 2.88Å; F598-N602 PolarHBondContact O-ND2 3.39Å; F598-L605 HydrophobicContact CE1-CD1 4.03Å |
| 599 | L | 75.4 | Confident | 72.5 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.016 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.8 | -39.7 | -179.4 | -78.1 | -175.6 | 0 | 0 | 0 | 113.1 | I568 L571 F595 I596 L605 V607 | I568-L599 HydrophobicContact CD1-CD2 4.1Å; I568-L599 HydrophobicContact CG1-CD2 4.09Å; L571-L599 HydrophobicContact CD2-CD1 4.27Å; F595-L599 HydrophobicContact CD1-CD1 3.71Å; F595-L599 HydrophobicContact CD1-CG 3.88Å; F595-L599 HydrophobicContact CE1-CD1 3.29Å; F595-L599 HydrophobicContact CE1-CD2 3.93Å; F595-L599 HydrophobicContact CE1-CG 3.51Å; F595-L599 HydrophobicContact CZ-CD1 4.28Å; F595-L599 HydrophobicContact CZ-CD2 4.13Å; F595-L599 HydrophobicContact CZ-CG 4.15Å; F595-L599 WeakPolarHBondContact O-CG 3.46Å; F595-L599 PolarHBondContact O-N 3.34Å; I596-L599 PolarHBondContact O-N 2.94Å; L599-L605 HydrophobicContact CD2-CD1 4.21Å; L599-V607 HydrophobicContact CB-CG2 4.26Å; L599-V607 HydrophobicContact CD1-CG1 4.02Å; L599-V607 HydrophobicContact CD2-CG2 4.43Å |
| 600 | Y | 75.1 | Confident | 71.9 | Confident | 70 Ų | 70 | 48.5 Ų | 48.5 | 28% | 0.275 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -97.6 | -13 | -169.7 | -77.2 | -83.1 | 0 | 0 | 0 | 114.6 | I596 F598 V607 Y609 P611 I666 | I596-Y600 HydrophobicContact CG2-CD2 4.14Å; I596-Y600 WeakPolarHBondContact O-CD2 3.16Å; I596-Y600 PolarHBondContact O-N 3.32Å; I596-Y600 VanDerWaalsContact O-N 3.11Å; F598-Y600 VanDerWaalsContact C-N 3.35Å; F598-Y600 PolarHBondContact O-N 3.32Å; Y600-V607 HydrophobicContact CE2-CG1 4.21Å; Y600-Y609 PolarHBondContact OH-O 3.26Å; Y600-P611 HydrophobicContact CE1-CG 4.23Å; Y600-P611 HydrophobicContact CE2-CG 3.96Å; Y600-P611 WeakPolarHBondContact OH-CD 3.39Å; Y600-I666 HydrophobicContact CD1-CD1 4.1Å; Y600-I666 HydrophobicContact CD1-CG1 4.32Å; Y600-I666 HydrophobicContact CD1-CG2 3.65Å; Y600-I666 HydrophobicContact CD2-CD1 3.33Å; Y600-I666 HydrophobicContact CD2-CG1 4.37Å; Y600-I666 HydrophobicContact CE1-CG2 3.8Å; Y600-I666 HydrophobicContact CE2-CD1 4.02Å; Y600-I666 HydrophobicContact CG-CD1 3.38Å; Y600-I666 HydrophobicContact CG-CG1 3.96Å; Y600-I666 HydrophobicContact CG-CG2 4.1Å |
| 601 | N | 68.7 | Low | 71.4 | Confident | 74 Ų | 74 | 48.2 Ų | 48.2 | 40% | 0.396 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -88.5 | -17.6 | 169.6 | -75.4 | -19.5 | 0 | 0 | 0 | 113.5 | H597 T603 | H597-N601 PolarHBondContact CD2-ND2 3.18Å; H597-N601 VanDerWaalsContact CD2-ND2 3.28Å; H597-N601 PolarHBondContact CE1-ND2 2.91Å; H597-N601 PolarHBondContact NE2-ND2 3.47Å; H597-N601 WeakPolarHBondContact O-CB 3.47Å; H597-N601 PolarHBondContact O-N 3.23Å; H597-N601 VanDerWaalsContact O-N 3.08Å; N601-T603 PolarHBondContact O-N 2.97Å |
| 602 | N | 67.6 | Low | 71.2 | Confident | 40 Ų | 40 | 53.3 Ų | 53.3 | 21% | 0.214 | 28% | 0.282 | C | S | . | . | trans | -90.2 | 102.1 | 175.7 | -74.8 | -49.1 | 0 | 0 | 0 | 110.7 | F598 S604 L605 | F598-N602 VanDerWaalsContact CD2-ND2 3.27Å; F598-N602 WeakPolarHBondContact CD2-ND2 2.85Å; F598-N602 WeakPolarHBondContact CE2-ND2 3.45Å; F598-N602 PolarHBondContact O-N 2.88Å; F598-N602 PolarHBondContact O-ND2 3.39Å; N602-S604 PolarHBondContact O-N 3.49Å; N602-S604 VanDerWaalsContact O-N 3.16Å; N602-L605 HydrophobicContact CB-CD1 3.87Å; N602-L605 HydrophobicContact CB-CG 4.27Å; N602-L605 PolarHBondContact O-N 2.88Å | ||
| 603 | T | 58.1 | Low | 71 | Confident | 148 Ų | 148 | 56.8 Ų | 56.8 | 91% | 0.908 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -16.8 | -178.3 | 50.9 | 0 | 0 | 0 | 0 | 114.2 | N601 | N601-T603 PolarHBondContact O-N 2.97Š|
| 604 | S | 57.1 | Low | 70.9 | Confident | 85 Ų | 85 | 56.8 Ų | 56.8 | 59% | 0.594 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -10.7 | -178.3 | 52.3 | 0 | 0 | 0 | 0 | 114.8 | N602 | N602-S604 PolarHBondContact O-N 3.49Å; N602-S604 VanDerWaalsContact O-N 3.16Å |
| 605 | L | 61.9 | Low | 71.1 | Confident | 30 Ų | 30 | 55 Ų | 55 | 16% | 0.157 | 29% | 0.292 | C | S | . | . | trans | -92 | 126.3 | -176.3 | -73.2 | 172 | 0 | 0 | 0 | 112.2 | L560 I568 F598 L599 N602 V607 | L560-L605 HydrophobicContact CD1-CD2 3.32Å; L560-L605 HydrophobicContact CD1-CG 4.06Å; L560-L605 HydrophobicContact CD2-CD2 4.28Å; L560-L605 HydrophobicContact CG-CD2 4.43Å; I568-L605 HydrophobicContact CD1-CD1 4.47Å; I568-L605 HydrophobicContact CD1-CD2 4.07Å; F598-L605 HydrophobicContact CE1-CD1 4.03Å; L599-L605 HydrophobicContact CD2-CD1 4.21Å; N602-L605 HydrophobicContact CB-CD1 3.87Å; N602-L605 HydrophobicContact CB-CG 4.27Å; N602-L605 PolarHBondContact O-N 2.88Å; L605-V607 HydrophobicContact CB-CG2 4.19Å; L605-V607 PolarHBondContact O-N 3.43Å; L605-V607 VanDerWaalsContact O-N 3.11Å | ||
| 606 | I | 58.4 | Low | 71.2 | Confident | 170 Ų | 170 | 61.2 Ų | 61.2 | 87% | 0.872 | 32% | 0.318 | S | S | * | . | trans | -78.8 | 92.5 | 167.5 | -57.6 | 174.7 | 0 | 0 | 0 | 108.1 | S608 | I606-S608 PolarHBondContact O-N 3.29Š| ||
| 607 | V | 61 | Low | 71.4 | Confident | 34 Ų | 34 | 61.9 Ų | 61.9 | 21% | 0.206 | 32% | 0.323 | C | S | . | . | trans | -79.3 | 103.2 | -177.6 | -172.7 | 0 | 0 | 0 | 0 | 110.8 | L599 Y600 L605 Y609 | L599-V607 HydrophobicContact CB-CG2 4.26Å; L599-V607 HydrophobicContact CD1-CG1 4.02Å; L599-V607 HydrophobicContact CD2-CG2 4.43Å; Y600-V607 HydrophobicContact CE2-CG1 4.21Å; L605-V607 HydrophobicContact CB-CG2 4.19Å; L605-V607 PolarHBondContact O-N 3.43Å; L605-V607 VanDerWaalsContact O-N 3.11Å; V607-Y609 VanDerWaalsContact C-N 3.33Å | ||
| 608 | S | 61.4 | Low | 71.8 | Confident | 84 Ų | 84 | 60.2 Ų | 60.2 | 59% | 0.587 | 32% | 0.316 | S | S | * | . | trans | -69.3 | -31 | 174.2 | 62.6 | 0 | 0 | 0 | 0 | 112.6 | I606 K610 | I606-S608 PolarHBondContact O-N 3.29Å; S608-K610 PolarHBondContact O-N 3.19Å | ||
| 609 | Y | 68.3 | Low | 72.1 | Confident | 16 Ų | 16 | 61.2 Ų | 61.2 | 6% | 0.063 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -96.5 | 95 | -170.5 | -161.9 | -117.3 | 0 | 0 | 0 | 112.6 | L571 P572 Y600 V607 I613 F614 | L571-Y609 HydrophobicContact CD2-CD1 3.65Å; L571-Y609 HydrophobicContact CD2-CE1 4.26Å; L571-Y609 HydrophobicContact CD2-CG 4.32Å; L571-Y609 HydrophobicContact CG-CD1 4.42Å; P572-Y609 HydrophobicContact CB-CD2 4Å; P572-Y609 HydrophobicContact CB-CE2 3.57Å; P572-Y609 HydrophobicContact CG-CD2 3.67Å; P572-Y609 HydrophobicContact CG-CE2 3.79Å; P572-Y609 HydrophobicContact CG-CG 4.3Å; Y600-Y609 PolarHBondContact OH-O 3.26Å; V607-Y609 VanDerWaalsContact C-N 3.33Å; Y609-I613 HydrophobicContact CD2-CB 4.19Å; Y609-I613 HydrophobicContact CD2-CD1 3.85Å; Y609-I613 HydrophobicContact CD2-CG2 4.13Å; Y609-I613 HydrophobicContact CE2-CB 3.72Å; Y609-I613 HydrophobicContact CE2-CD1 4.09Å; Y609-I613 HydrophobicContact CE2-CG2 3.28Å; Y609-F614 HydrophobicContact CD1-CD1 4.41Å; Y609-F614 AromaticContact CD1-CD2 3.62Å; Y609-F614 HydrophobicContact CD1-CD2 3.62Å; Y609-F614 AromaticContact CD1-CE1 3.97Å; Y609-F614 HydrophobicContact CD1-CE1 3.97Å; Y609-F614 AromaticContact CD1-CE2 3.14Å; Y609-F614 HydrophobicContact CD1-CE2 3.14Å; Y609-F614 HydrophobicContact CD1-CG 4.27Å; Y609-F614 AromaticContact CD1-CZ 3.35Å; Y609-F614 HydrophobicContact CD1-CZ 3.35Å; Y609-F614 AromaticContact CE1-CD1 3.7Å; Y609-F614 HydrophobicContact CE1-CD1 3.7Å; Y609-F614 AromaticContact CE1-CD2 3.5Å; Y609-F614 HydrophobicContact CE1-CD2 3.5Å; Y609-F614 AromaticContact CE1-CE1 3.57Å; Y609-F614 HydrophobicContact CE1-CE1 3.57Å; Y609-F614 AromaticContact CE1-CE2 3.43Å; Y609-F614 HydrophobicContact CE1-CE2 3.43Å; Y609-F614 VanDerWaalsContact CE1-CE2 3.43Å; Y609-F614 AromaticContact CE1-CG 3.69Å; Y609-F614 HydrophobicContact CE1-CG 3.69Å; Y609-F614 AromaticContact CE1-CZ 3.47Å; Y609-F614 HydrophobicContact CE1-CZ 3.47Å; Y609-F614 VanDerWaalsContact CE1-CZ 3.47Å; Y609-F614 HydrophobicContact CG-CE2 4.28Å |
| 610 | K | 74.6 | Confident | 72.3 | Confident | 141 Ų | 141 | 68 Ų | 68 | 61% | 0.613 | 35% | 0.351 | S | S | * | . | trans | -70.2 | 152.2 | -174.2 | -62.7 | -176.5 | -179.9 | -179.7 | 0 | 112.9 | S608 K612 I613 | S608-K610 PolarHBondContact O-N 3.19Å; K610-K612 PolarHBondContact O-N 2.98Å; K610-K612 VanDerWaalsContact O-N 3.08Å; K610-I613 HydrophobicContact CB-CG1 4.46Å; K610-I613 WeakPolarHBondContact O-CB 3.33Å; K610-I613 PolarHBondContact O-N 2.82Å | ||
| 611 | P | 73.7 | Confident | 72.6 | Confident | 11 Ų | 11 | 67.7 Ų | 67.7 | 7% | 0.071 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.4 | -28.6 | -178.3 | -19.2 | 34.6 | 0 | 0 | 0 | 112.5 | Y600 I613 F614 F615 I663 I666 A667 | Y600-P611 HydrophobicContact CE1-CG 4.23Å; Y600-P611 HydrophobicContact CE2-CG 3.96Å; Y600-P611 WeakPolarHBondContact OH-CD 3.39Å; P611-I613 PolarHBondContact O-N 3.13Å; P611-F614 PolarHBondContact O-N 2.88Å; P611-F615 PolarHBondContact O-N 3.15Å; P611-F615 VanDerWaalsContact O-N 3.09Å; P611-I663 HydrophobicContact CB-CG2 4.26Å; P611-I666 HydrophobicContact CG-CB 4.12Å; P611-I666 HydrophobicContact CG-CD1 4.5Å; P611-I666 HydrophobicContact CG-CG2 3.6Å; P611-A667 HydrophobicContact CB-CB 3.89Å; P611-A667 HydrophobicContact CG-CB 4.12Å |
| 612 | K | 78.7 | Confident | 73 | Confident | 119 Ų | 119 | 64.5 Ų | 64.5 | 52% | 0.517 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58 | -30.9 | 173.6 | -168.4 | 175.9 | -177.5 | 179.1 | 0 | 112.9 | K610 K616 V670 | K610-K612 PolarHBondContact O-N 2.98Å; K610-K612 VanDerWaalsContact O-N 3.08Å; K612-K616 WeakPolarHBondContact O-CB 3.4Å; K612-K616 VanDerWaalsContact O-CG 3.29Å; K612-K616 WeakPolarHBondContact O-CG 3.45Å; K612-K616 PolarHBondContact O-N 2.89Å; K612-V670 HydrophobicContact CB-CG2 4.01Å; K612-V670 HydrophobicContact CG-CG1 4.43Å; K612-V670 HydrophobicContact CG-CG2 4.03Å |
| 613 | I | 80.4 | Confident | 73.4 | Confident | 74 Ų | 74 | 64.7 Ų | 64.7 | 38% | 0.379 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -77.6 | -43.8 | -179.2 | -50.5 | 174.5 | 0 | 0 | 0 | 110.3 | Y609 K610 P611 F615 K616 S617 | Y609-I613 HydrophobicContact CD2-CB 4.19Å; Y609-I613 HydrophobicContact CD2-CD1 3.85Å; Y609-I613 HydrophobicContact CD2-CG2 4.13Å; Y609-I613 HydrophobicContact CE2-CB 3.72Å; Y609-I613 HydrophobicContact CE2-CD1 4.09Å; Y609-I613 HydrophobicContact CE2-CG2 3.28Å; K610-I613 HydrophobicContact CB-CG1 4.46Å; K610-I613 WeakPolarHBondContact O-CB 3.33Å; K610-I613 PolarHBondContact O-N 2.82Å; P611-I613 PolarHBondContact O-N 3.13Å; I613-F615 VanDerWaalsContact C-N 3.31Å; I613-F615 PolarHBondContact O-N 3.07Å; I613-K616 PolarHBondContact O-N 3.26Å; I613-S617 WeakPolarHBondContact O-CB 3.44Å; I613-S617 PolarHBondContact O-N 3.09Å |
| 614 | F | 81.1 | Confident | 74.2 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -52.8 | -50.7 | 171.2 | -73.1 | -87.6 | 0 | 0 | 0 | 111.3 | L571 T575 L592 I596 Y609 P611 S617 L618 F659 I663 | L571-F614 HydrophobicContact CD2-CE1 4.34Å; L571-F614 HydrophobicContact CD2-CZ 3.75Å; L571-F614 HydrophobicContact CG-CZ 4.49Å; T575-F614 HydrophobicContact CG2-CD1 3.67Å; T575-F614 HydrophobicContact CG2-CE1 4.14Å; L592-F614 HydrophobicContact CD2-CE1 4.35Å; I596-F614 HydrophobicContact CD1-CD1 4.19Å; I596-F614 HydrophobicContact CD1-CD2 4.29Å; I596-F614 HydrophobicContact CD1-CE1 4.32Å; I596-F614 HydrophobicContact CD1-CE2 4.35Å; I596-F614 HydrophobicContact CD1-CG 4.15Å; I596-F614 HydrophobicContact CD1-CZ 4.35Å; I596-F614 HydrophobicContact CG1-CE1 4.2Å; I596-F614 HydrophobicContact CG1-CE2 4.09Å; I596-F614 HydrophobicContact CG1-CZ 3.9Å; Y609-F614 HydrophobicContact CD1-CD1 4.41Å; Y609-F614 AromaticContact CD1-CD2 3.62Å; Y609-F614 HydrophobicContact CD1-CD2 3.62Å; Y609-F614 AromaticContact CD1-CE1 3.97Å; Y609-F614 HydrophobicContact CD1-CE1 3.97Å; Y609-F614 AromaticContact CD1-CE2 3.14Å; Y609-F614 HydrophobicContact CD1-CE2 3.14Å; Y609-F614 HydrophobicContact CD1-CG 4.27Å; Y609-F614 AromaticContact CD1-CZ 3.35Å; Y609-F614 HydrophobicContact CD1-CZ 3.35Å; Y609-F614 AromaticContact CE1-CD1 3.7Å; Y609-F614 HydrophobicContact CE1-CD1 3.7Å; Y609-F614 AromaticContact CE1-CD2 3.5Å; Y609-F614 HydrophobicContact CE1-CD2 3.5Å; Y609-F614 AromaticContact CE1-CE1 3.57Å; Y609-F614 HydrophobicContact CE1-CE1 3.57Å; Y609-F614 AromaticContact CE1-CE2 3.43Å; Y609-F614 HydrophobicContact CE1-CE2 3.43Å; Y609-F614 VanDerWaalsContact CE1-CE2 3.43Å; Y609-F614 AromaticContact CE1-CG 3.69Å; Y609-F614 HydrophobicContact CE1-CG 3.69Å; Y609-F614 AromaticContact CE1-CZ 3.47Å; Y609-F614 HydrophobicContact CE1-CZ 3.47Å; Y609-F614 VanDerWaalsContact CE1-CZ 3.47Å; Y609-F614 HydrophobicContact CG-CE2 4.28Å; P611-F614 PolarHBondContact O-N 2.88Å; F614-S617 WeakPolarHBondContact O-CB 3.3Å; F614-S617 PolarHBondContact O-N 3.36Å; F614-L618 PolarHBondContact O-N 2.61Å; F614-F659 HydrophobicContact CB-CZ 4.21Å; F614-F659 HydrophobicContact CD1-CE2 4.44Å; F614-F659 HydrophobicContact CD1-CZ 4.29Å; F614-I663 HydrophobicContact CB-CD1 4.13Å |
| 615 | F | 83.1 | Confident | 74.8 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.4 | -40.4 | -177.9 | -167.8 | -99.2 | 0 | 0 | 0 | 113 | P611 I613 S617 L618 L619 L660 I663 V670 V671 H674 I675 | P611-F615 PolarHBondContact O-N 3.15Å; P611-F615 VanDerWaalsContact O-N 3.09Å; I613-F615 VanDerWaalsContact C-N 3.31Å; I613-F615 PolarHBondContact O-N 3.07Å; F615-S617 VanDerWaalsContact C-N 3.31Å; F615-S617 PolarHBondContact O-N 3.35Å; F615-L618 HydrophobicContact CD2-CD2 4.5Å; F615-L618 WeakPolarHBondContact O-CB 3.26Å; F615-L618 PolarHBondContact O-N 2.97Å; F615-L619 HydrophobicContact CD1-CD1 3.87Å; F615-L619 HydrophobicContact CD1-CG 4.2Å; F615-L619 HydrophobicContact CE1-CD1 3.4Å; F615-L619 VanDerWaalsContact CE1-CD1 3.4Å; F615-L619 HydrophobicContact CE1-CD2 4.46Å; F615-L619 HydrophobicContact CE1-CG 3.91Å; F615-L619 HydrophobicContact CZ-CD1 4.1Å; F615-L619 HydrophobicContact CZ-CD2 4.39Å; F615-L619 HydrophobicContact CZ-CG 4.28Å; F615-L619 PolarHBondContact O-N 3.01Å; F615-L660 HydrophobicContact CD2-CD2 4.17Å; F615-L660 HydrophobicContact CE2-CD2 3.81Å; F615-I663 HydrophobicContact CB-CD1 4.38Å; F615-I663 HydrophobicContact CB-CG2 4.4Å; F615-I663 HydrophobicContact CD2-CD1 4.36Å; F615-I663 HydrophobicContact CD2-CG2 4.4Å; F615-V670 HydrophobicContact CB-CG1 3.59Å; F615-V670 HydrophobicContact CD1-CG1 3.32Å; F615-V670 HydrophobicContact CD2-CG1 4.44Å; F615-V670 HydrophobicContact CE1-CG1 4.03Å; F615-V670 WeakPolarHBondContact CE1-O 3.41Å; F615-V670 HydrophobicContact CG-CG1 3.53Å; F615-V671 HydrophobicContact CD2-CG2 4.34Å; F615-V671 HydrophobicContact CE2-CG2 4.15Å; F615-H674 HydrophobicContact CE1-CB 3.73Å; F615-H674 AromaticContact CE1-CG 3.81Å; F615-H674 AromaticContact CE1-ND1 3.72Å; F615-H674 HydrophobicContact CZ-CB 4.02Å; F615-I675 HydrophobicContact CE2-CD1 3.83Å; F615-I675 HydrophobicContact CE2-CG1 4.49Å; F615-I675 HydrophobicContact CZ-CD1 3.88Å; F615-I675 HydrophobicContact CZ-CG1 4.04Å |
| 616 | K | 81.9 | Confident | 75.1 | Confident | 134 Ų | 134 | 56 Ų | 56 | 58% | 0.583 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -62 | -39.3 | 173.2 | -82.6 | -176.3 | 173.1 | -165.8 | 0 | 112.3 | K612 I613 K620 | K612-K616 WeakPolarHBondContact O-CB 3.4Å; K612-K616 VanDerWaalsContact O-CG 3.29Å; K612-K616 WeakPolarHBondContact O-CG 3.45Å; K612-K616 PolarHBondContact O-N 2.89Å; I613-K616 PolarHBondContact O-N 3.26Å; K616-K620 WeakPolarHBondContact O-CB 3.21Å; K616-K620 PolarHBondContact O-N 3.26Å; K616-K620 VanDerWaalsContact O-N 3.13Å |
| 617 | S | 81.4 | Confident | 75.6 | Confident | 14 Ų | 14 | 48.9 Ų | 48.9 | 10% | 0.098 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.1 | -44 | 176.6 | -162.6 | 0 | 0 | 0 | 0 | 110.7 | I613 F614 F615 K620 Y621 | I613-S617 WeakPolarHBondContact O-CB 3.44Å; I613-S617 PolarHBondContact O-N 3.09Å; F614-S617 WeakPolarHBondContact O-CB 3.3Å; F614-S617 PolarHBondContact O-N 3.36Å; F615-S617 VanDerWaalsContact C-N 3.31Å; F615-S617 PolarHBondContact O-N 3.35Å; S617-K620 PolarHBondContact O-N 2.89Å; S617-Y621 VanDerWaalsContact O-CD2 3.25Å; S617-Y621 WeakPolarHBondContact O-CD2 3.04Å; S617-Y621 PolarHBondContact O-N 3.32Å |
| 618 | L | 84.7 | Confident | 76 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -54.9 | -55.4 | 174.7 | -178.2 | 73.1 | 0 | 0 | 0 | 111.1 | F579 Y589 F614 F615 K620 Y621 V622 L624 L656 F659 L660 | F579-L618 HydrophobicContact CD1-CD1 4.01Å; F579-L618 HydrophobicContact CD2-CB 4.39Å; F579-L618 HydrophobicContact CE1-CD1 3.8Å; F579-L618 HydrophobicContact CE2-CB 4.07Å; F579-L618 HydrophobicContact CG-CD1 4.5Å; F579-L618 HydrophobicContact CZ-CB 4.29Å; F579-L618 HydrophobicContact CZ-CD1 4.09Å; Y589-L618 HydrophobicContact CE1-CD1 3.88Å; F614-L618 PolarHBondContact O-N 2.61Å; F615-L618 HydrophobicContact CD2-CD2 4.5Å; F615-L618 WeakPolarHBondContact O-CB 3.26Å; F615-L618 PolarHBondContact O-N 2.97Å; L618-K620 PolarHBondContact O-N 3Å; L618-Y621 PolarHBondContact O-N 3.28Å; L618-V622 HydrophobicContact CD1-CB 4Å; L618-V622 HydrophobicContact CD1-CG1 4.45Å; L618-V622 HydrophobicContact CD1-CG2 3.82Å; L618-V622 WeakPolarHBondContact O-CA 2.88Å; L618-V622 WeakPolarHBondContact O-CB 3.11Å; L618-V622 PolarHBondContact O-N 3.34Å; L618-L624 HydrophobicContact CD2-CD2 4.27Å; L618-L656 HydrophobicContact CD1-CD1 4.3Å; L618-L656 HydrophobicContact CD2-CD1 4.5Å; L618-F659 HydrophobicContact CD2-CE1 4.19Å; L618-L660 HydrophobicContact CD2-CD2 3.86Å |
| 619 | L | 80.7 | Confident | 76.1 | Confident | 38 Ų | 38 | 46 Ų | 46 | 20% | 0.199 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.2 | -25.5 | -179.1 | -69.7 | -175.6 | 0 | 0 | 0 | 114 | F615 L624 H674 L735 | F615-L619 HydrophobicContact CD1-CD1 3.87Å; F615-L619 HydrophobicContact CD1-CG 4.2Å; F615-L619 HydrophobicContact CE1-CD1 3.4Å; F615-L619 VanDerWaalsContact CE1-CD1 3.4Å; F615-L619 HydrophobicContact CE1-CD2 4.46Å; F615-L619 HydrophobicContact CE1-CG 3.91Å; F615-L619 HydrophobicContact CZ-CD1 4.1Å; F615-L619 HydrophobicContact CZ-CD2 4.39Å; F615-L619 HydrophobicContact CZ-CG 4.28Å; F615-L619 PolarHBondContact O-N 3.01Å; L619-L624 HydrophobicContact CD2-CD1 3.57Å; L619-L624 HydrophobicContact CD2-CG 4.41Å; L619-H674 HydrophobicContact CD1-CB 3.96Å; L619-L735 HydrophobicContact CD1-CD1 4.24Å; L619-L735 HydrophobicContact CD2-CD1 4.15Å; L619-L735 HydrophobicContact CD2-CD2 4.17Å |
| 620 | K | 80.9 | Confident | 75.6 | Confident | 145 Ų | 145 | 48.2 Ų | 48.2 | 63% | 0.63 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -75.4 | -35 | 179.6 | -179 | 173.7 | 179.5 | 175.8 | 0 | 112.6 | K616 S617 L618 | K616-K620 WeakPolarHBondContact O-CB 3.21Å; K616-K620 PolarHBondContact O-N 3.26Å; K616-K620 VanDerWaalsContact O-N 3.13Å; S617-K620 PolarHBondContact O-N 2.89Å; L618-K620 PolarHBondContact O-N 3Å |
| 621 | Y | 80.5 | Confident | 74 | Confident | 64 Ų | 64 | 46.6 Ų | 46.6 | 25% | 0.251 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -112.4 | -21.3 | -170.5 | -64.9 | -67.3 | 0 | 0 | 0 | 113.7 | K576 F579 K580 S617 L618 | K576-Y621 WeakPolarHBondContact CE-OH 3.15Å; K576-Y621 HydrophobicContact CG-CE2 3.74Å; F579-Y621 HydrophobicContact CB-CD2 4.32Å; F579-Y621 HydrophobicContact CB-CG 4.49Å; F579-Y621 WeakPolarHBondContact O-CB 3.31Å; K580-Y621 HydrophobicContact CB-CD1 3.89Å; K580-Y621 HydrophobicContact CB-CE1 4.17Å; K580-Y621 HydrophobicContact CB-CG 4.18Å; K580-Y621 HydrophobicContact CD-CE1 4.12Å; K580-Y621 HydrophobicContact CG-CD1 3.95Å; K580-Y621 HydrophobicContact CG-CE1 4.06Å; S617-Y621 VanDerWaalsContact O-CD2 3.25Å; S617-Y621 WeakPolarHBondContact O-CD2 3.04Å; S617-Y621 PolarHBondContact O-N 3.32Å; L618-Y621 PolarHBondContact O-N 3.28Å |
| 622 | V | 77.2 | Confident | 72.3 | Confident | 7 Ų | 7 | 47.7 Ų | 47.7 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | trans | -115.4 | 116.5 | -176.8 | -173.4 | 0 | 0 | 0 | 0 | 109.2 | F579 L618 L624 V627 | F579-V622 HydrophobicContact CB-CG2 4.12Å; F579-V622 HydrophobicContact CD1-CG2 4.35Å; F579-V622 HydrophobicContact CG-CG2 4.46Å; L618-V622 HydrophobicContact CD1-CB 4Å; L618-V622 HydrophobicContact CD1-CG1 4.45Å; L618-V622 HydrophobicContact CD1-CG2 3.82Å; L618-V622 WeakPolarHBondContact O-CA 2.88Å; L618-V622 WeakPolarHBondContact O-CB 3.11Å; L618-V622 PolarHBondContact O-N 3.34Å; V622-L624 HydrophobicContact CG1-CD2 4.41Å; V622-L624 PolarHBondContact O-N 3.37Å; V622-L624 VanDerWaalsContact O-N 3.12Å; V622-V627 HydrophobicContact CG1-CG2 4.13Å | ||
| 623 | N | 76.1 | Confident | 70 | Confident | 44 Ų | 44 | 44.1 Ų | 44.1 | 24% | 0.235 | 23% | 0.225 | C | C | . | . | trans | -77.7 | 97.6 | 169.2 | -178 | -3.4 | 0 | 0 | 0 | 109 | T625 T626 V627 | N623-T625 VanDerWaalsContact C-N 3.26Å; N623-T625 PolarHBondContact O-N 3.5Å; N623-T625 PolarHBondContact OD1-N 2.83Å; N623-T625 VanDerWaalsContact OD1-N 3.15Å; N623-T625 PolarHBondContact OD1-OG1 3.41Å; N623-T626 WeakPolarHBondContact CB-OG1 3Å; N623-T626 PolarHBondContact ND2-OG1 3.23Å; N623-T626 PolarHBondContact O-N 2.92Å; N623-T626 PolarHBondContact O-OG1 2.92Å; N623-V627 PolarHBondContact O-N 3.04Å | ||
| 624 | L | 75.6 | Confident | 68 | Low | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.9 | -33.5 | -178.2 | -71.4 | 174.4 | 0 | 0 | 0 | 112.4 | L618 L619 V622 T626 V627 L628 L656 I675 W679 | L618-L624 HydrophobicContact CD2-CD2 4.27Å; L619-L624 HydrophobicContact CD2-CD1 3.57Å; L619-L624 HydrophobicContact CD2-CG 4.41Å; V622-L624 HydrophobicContact CG1-CD2 4.41Å; V622-L624 PolarHBondContact O-N 3.37Å; V622-L624 VanDerWaalsContact O-N 3.12Å; L624-T626 PolarHBondContact O-N 3.2Å; L624-V627 PolarHBondContact O-N 2.96Å; L624-L628 HydrophobicContact CB-CD1 4.37Å; L624-L628 VanDerWaalsContact O-CB 3.3Å; L624-L628 WeakPolarHBondContact O-CB 3.34Å; L624-L628 WeakPolarHBondContact O-CG 3.37Å; L624-L628 PolarHBondContact O-N 2.93Å; L624-L656 HydrophobicContact CD2-CD1 4.21Å; L624-L656 HydrophobicContact CD2-CD2 4.03Å; L624-I675 HydrophobicContact CD1-CD1 3.98Å; L624-I675 HydrophobicContact CD1-CG1 4.36Å; L624-W679 HydrophobicContact CB-CZ3 4.33Å |
| 625 | T | 69.5 | Low | 65.6 | Low | 6 Ų | 6 | 50.9 Ų | 50.9 | 4% | 0.037 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.2 | -43.4 | -179 | 62.8 | 0 | 0 | 0 | 0 | 110.4 | N623 V627 L628 F629 W679 | N623-T625 VanDerWaalsContact C-N 3.26Å; N623-T625 PolarHBondContact O-N 3.5Å; N623-T625 PolarHBondContact OD1-N 2.83Å; N623-T625 VanDerWaalsContact OD1-N 3.15Å; N623-T625 PolarHBondContact OD1-OG1 3.41Å; T625-V627 VanDerWaalsContact C-N 3.35Å; T625-V627 PolarHBondContact O-N 3.49Å; T625-L628 PolarHBondContact O-N 3.14Å; T625-F629 HydrophobicContact CG2-CD2 4.45Å; T625-F629 HydrophobicContact CG2-CE2 3.96Å; T625-F629 VanDerWaalsContact O-CB 3.3Å; T625-F629 WeakPolarHBondContact O-CB 3.21Å; T625-F629 WeakPolarHBondContact O-CD2 3.43Å; T625-F629 WeakPolarHBondContact O-CG 3.33Å; T625-F629 PolarHBondContact O-N 2.94Å; T625-W679 HydrophobicContact CG2-CH2 3.26Å; T625-W679 HydrophobicContact CG2-CZ2 3.61Å; T625-W679 HydrophobicContact CG2-CZ3 3.79Å |
| 626 | T | 68 | Low | 62.9 | Low | 70 Ų | 70 | 56.4 Ų | 56.4 | 43% | 0.429 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.9 | -40 | 173.6 | 28.4 | 0 | 0 | 0 | 0 | 113 | N623 L624 T630 | N623-T626 WeakPolarHBondContact CB-OG1 3Å; N623-T626 PolarHBondContact ND2-OG1 3.23Å; N623-T626 PolarHBondContact O-N 2.92Å; N623-T626 PolarHBondContact O-OG1 2.92Å; L624-T626 PolarHBondContact O-N 3.2Å; T626-T630 WeakPolarHBondContact O-CG2 3.42Å; T626-T630 PolarHBondContact O-N 3.36Å; T626-T630 PolarHBondContact O-OG1 2.95Å |
| 627 | V | 69.5 | Low | 60.3 | Low | 19 Ų | 19 | 56.8 Ų | 56.8 | 12% | 0.115 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -74 | -32.2 | -179.9 | -179.6 | 0 | 0 | 0 | 0 | 112.2 | V622 N623 L624 T625 T630 L652 K653 L656 | V622-V627 HydrophobicContact CG1-CG2 4.13Å; N623-V627 PolarHBondContact O-N 3.04Å; L624-V627 PolarHBondContact O-N 2.96Å; T625-V627 VanDerWaalsContact C-N 3.35Å; T625-V627 PolarHBondContact O-N 3.49Å; V627-T630 PolarHBondContact O-OG1 2.62Å; V627-L652 HydrophobicContact CG1-CD2 4.25Å; V627-L652 HydrophobicContact CG1-CG 4.49Å; V627-K653 WeakPolarHBondContact O-CE 3.41Å; V627-L656 HydrophobicContact CG1-CD2 3.81Å |
| 628 | L | 68.9 | Low | 57.8 | Low | 10 Ų | 10 | 59.1 Ų | 59.1 | 5% | 0.052 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -79.9 | -44.7 | -179.6 | -69.2 | 172 | 0 | 0 | 0 | 111.9 | L624 T625 K653 F657 W679 V683 | L624-L628 HydrophobicContact CB-CD1 4.37Å; L624-L628 VanDerWaalsContact O-CB 3.3Å; L624-L628 WeakPolarHBondContact O-CB 3.34Å; L624-L628 WeakPolarHBondContact O-CG 3.37Å; L624-L628 PolarHBondContact O-N 2.93Å; T625-L628 PolarHBondContact O-N 3.14Å; L628-K653 PolarHBondContact O-NZ 3.1Å; L628-F657 HydrophobicContact CD2-CE1 4.06Å; L628-F657 HydrophobicContact CD2-CE2 3.78Å; L628-F657 HydrophobicContact CD2-CZ 3.27Å; L628-W679 HydrophobicContact CD1-CB 4.45Å; L628-W679 HydrophobicContact CD1-CE3 4.01Å; L628-V683 HydrophobicContact CB-CG2 4.2Å; L628-V683 HydrophobicContact CD2-CG2 4.17Å |
| 629 | F | 63.4 | Low | 55.1 | Low | 48 Ų | 48 | 62.7 Ų | 62.7 | 21% | 0.211 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -94.1 | 4.8 | -176.1 | -52.5 | -59.5 | 0 | 0 | 0 | 113.9 | T625 N631 W679 S682 F728 | T625-F629 HydrophobicContact CG2-CD2 4.45Å; T625-F629 HydrophobicContact CG2-CE2 3.96Å; T625-F629 VanDerWaalsContact O-CB 3.3Å; T625-F629 WeakPolarHBondContact O-CB 3.21Å; T625-F629 WeakPolarHBondContact O-CD2 3.43Å; T625-F629 WeakPolarHBondContact O-CG 3.33Å; T625-F629 PolarHBondContact O-N 2.94Å; F629-N631 PolarHBondContact O-N 2.85Å; F629-W679 HydrophobicContact CZ-CG 4.38Å; F629-S682 WeakPolarHBondContact CE1-OG 3.33Å; F629-F728 HydrophobicContact CD2-CB 4.5Å; F629-F728 HydrophobicContact CE1-CB 4.21Å; F629-F728 AromaticContact CE1-CD1 3.82Å; F629-F728 HydrophobicContact CE1-CD1 3.82Å; F629-F728 HydrophobicContact CE1-CD2 4.23Å; F629-F728 HydrophobicContact CE1-CE1 4.23Å; F629-F728 AromaticContact CE1-CG 3.82Å; F629-F728 HydrophobicContact CE1-CG 3.82Å; F629-F728 HydrophobicContact CE2-CB 3.89Å; F629-F728 HydrophobicContact CE2-CD1 4.19Å; F629-F728 HydrophobicContact CE2-CG 4.25Å; F629-F728 HydrophobicContact CZ-CB 3.75Å; F629-F728 AromaticContact CZ-CD1 3.33Å; F629-F728 HydrophobicContact CZ-CD1 3.33Å; F629-F728 HydrophobicContact CZ-CD2 4.43Å; F629-F728 HydrophobicContact CZ-CE1 4.01Å; F629-F728 AromaticContact CZ-CG 3.58Å; F629-F728 HydrophobicContact CZ-CG 3.58Å |
| 630 | T | 57.1 | Low | 52.7 | Low | 63 Ų | 63 | 68.9 Ų | 68.9 | 39% | 0.387 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -56.6 | 113.3 | 156.4 | 38.9 | 0 | 0 | 0 | 0 | 106.6 | T626 V627 V632 K653 | T626-T630 WeakPolarHBondContact O-CG2 3.42Å; T626-T630 PolarHBondContact O-N 3.36Å; T626-T630 PolarHBondContact O-OG1 2.95Å; V627-T630 PolarHBondContact O-OG1 2.62Å; T630-V632 PolarHBondContact O-N 3Å; T630-K653 PolarHBondContact O-NZ 3.34Å |
| 631 | N | 41.7 | Very low | 50.2 | Low | 106 Ų | 106 | 65.1 Ų | 65.1 | 57% | 0.567 | 36% | 0.355 | S | S | * | . | trans | -63.2 | 79.3 | -175.9 | -77.1 | -27.2 | 0 | 0 | 0 | 109.9 | F629 T633 | F629-N631 PolarHBondContact O-N 2.85Å; N631-T633 PolarHBondContact O-N 3.1Å; N631-T633 VanDerWaalsContact O-N 3.12Å | ||
| 632 | V | 38 | Very low | 47.9 | Very low | 35 Ų | 35 | 69.6 Ų | 69.6 | 21% | 0.212 | 38% | 0.376 | C | S | . | . | trans | -81.6 | 59.9 | 150.3 | -169.6 | 0 | 0 | 0 | 0 | 105.7 | T630 L634 E649 | T630-V632 PolarHBondContact O-N 3Å; V632-L634 HydrophobicContact CG1-CG 4.15Å; V632-L634 PolarHBondContact O-N 3.34Å; V632-E649 HydrophobicContact CG2-CB 3.92Å; V632-E649 WeakPolarHBondContact CG2-OE2 3.46Å | ||
| 633 | T | 30.7 | Very low | 45.9 | Very low | 43 Ų | 43 | 72 Ų | 72 | 26% | 0.264 | 39% | 0.388 | S | S | . | . | trans | -70.8 | 93.3 | 157 | 28.6 | 0 | 0 | 0 | 0 | 104.6 | N631 Q635 Q636 | N631-T633 PolarHBondContact O-N 3.1Å; N631-T633 VanDerWaalsContact O-N 3.12Å; T633-Q635 PolarHBondContact O-N 3.1Å; T633-Q636 CarbonylContact O-C 3.4Å; T633-Q636 PolarHBondContact O-N 3.27Å; T633-Q636 PolarHBondContact OG1-O 3.2Å | ||
| 634 | L | 37.8 | Very low | 43.8 | Very low | 96 Ų | 96 | 71.2 Ų | 71.2 | 50% | 0.503 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -9.5 | 166.1 | -80.2 | 167.8 | 0 | 0 | 0 | 112.2 | V632 | V632-L634 HydrophobicContact CG1-CG 4.15Å; V632-L634 PolarHBondContact O-N 3.34Å |
| 635 | Q | 31 | Very low | 42.5 | Very low | 121 Ų | 121 | 73.6 Ų | 73.6 | 57% | 0.565 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | -16.7 | 176.7 | -68.2 | -177.3 | -26.3 | 0 | 0 | 115 | T633 | T633-Q635 PolarHBondContact O-N 3.1Š|
| 636 | Q | 27.1 | Very low | 41.7 | Very low | 116 Ų | 116 | 76.5 Ų | 76.5 | 54% | 0.542 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -156.9 | 83.5 | -170.2 | -66.5 | -176.7 | -9.5 | 0 | 0 | 110.9 | E514 T633 | E514-Q636 PolarHBondContact OE1-NE2 3.4Å; T633-Q636 CarbonylContact O-C 3.4Å; T633-Q636 PolarHBondContact O-N 3.27Å; T633-Q636 PolarHBondContact OG1-O 3.2Å |
| 637 | Q | 25.7 | Very low | 41.4 | Very low | 142 Ų | 142 | 75.1 Ų | 75.1 | 66% | 0.664 | 40% | 0.404 | S | S | * | . | trans | -159.8 | 109.6 | 144.2 | -109.9 | 171.1 | 49.4 | 0 | 0 | 110.3 | ||||
| 638 | S | 28.8 | Very low | 41.3 | Very low | 63 Ų | 63 | 77 Ų | 77 | 44% | 0.441 | 41% | 0.413 | S | S | . | . | trans | -70.8 | 144.6 | 170.3 | 44.9 | 0 | 0 | 0 | 0 | 111.5 | T510 | T510-S638 WeakPolarHBondContact O-CB 3.05Å; T510-S638 PolarHBondContact O-OG 2.74Å | ||
| 639 | T | 29.1 | Very low | 41.4 | Very low | 76 Ų | 76 | 79.8 Ų | 79.8 | 47% | 0.466 | 43% | 0.426 | S | S | . | . | S | Bend | trans | 71.9 | 112.1 | 161.2 | 63 | 0 | 0 | 0 | 0 | 118.5 | A641 | T639-A641 PolarHBondContact O-N 2.87Š|
| 640 | N | 30.2 | Very low | 41.9 | Very low | 167 Ų | 167 | 79 Ų | 79 | 89% | 0.893 | 42% | 0.422 | S | S | * | . | trans | 74.3 | 7 | 147.4 | -63.3 | -7.1 | 0 | 0 | 0 | 122.1 | K642 | N640-K642 PolarHBondContact O-N 3.02Š| ||
| 641 | A | 28.7 | Very low | 42.9 | Very low | 66 Ų | 66 | 76.2 Ų | 76.2 | 55% | 0.545 | 41% | 0.405 | S | S | . | . | trans | -77.5 | 115.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | T639 I643 | T639-A641 PolarHBondContact O-N 2.87Å; A641-I643 PolarHBondContact O-N 3.46Å | ||
| 642 | K | 32.3 | Very low | 44.9 | Very low | 159 Ų | 159 | 72 Ų | 72 | 69% | 0.691 | 38% | 0.382 | S | S | * | . | trans | -50.2 | 117.3 | -174.6 | -66.4 | 170.4 | 175.8 | 178.4 | 0 | 110.5 | N640 P644 T645 | N640-K642 PolarHBondContact O-N 3.02Å; K642-P644 VanDerWaalsContact C-N 3.28Å; K642-P644 HydrophobicContact CB-CG 3.76Å; K642-P644 WeakPolarHBondContact O-CD 3.48Å; K642-P644 WeakPolarHBondContact O-CG 3.45Å; K642-T645 WeakPolarHBondContact O-CB 3.49Å; K642-T645 PolarHBondContact O-N 2.91Å; K642-T645 PolarHBondContact O-OG1 3.42Å | ||
| 643 | I | 35.4 | Very low | 47.1 | Very low | 57 Ų | 57 | 71 Ų | 71 | 29% | 0.292 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -44.2 | -30 | -178.5 | -39.9 | 177 | 0 | 0 | 0 | 117.3 | P457 A459 A641 T645 I646 L647 | P457-I643 HydrophobicContact CB-CB 3.99Å; P457-I643 HydrophobicContact CB-CD1 3.43Å; P457-I643 VanDerWaalsContact CB-CD1 3.43Å; P457-I643 HydrophobicContact CB-CG1 3.52Å; P457-I643 HydrophobicContact CG-CD1 3.85Å; P457-I643 HydrophobicContact CG-CG1 4.28Å; A459-I643 HydrophobicContact CB-CB 3.42Å; A459-I643 VanDerWaalsContact CB-CB 3.42Å; A459-I643 HydrophobicContact CB-CD1 4.49Å; A459-I643 HydrophobicContact CB-CG2 3.05Å; A641-I643 PolarHBondContact O-N 3.46Å; I643-T645 PolarHBondContact O-N 3.42Å; I643-I646 HydrophobicContact CG2-CD1 4.36Å; I643-I646 PolarHBondContact O-N 3.43Å; I643-L647 PolarHBondContact O-N 2.67Å |
| 644 | P | 32.3 | Very low | 49.6 | Very low | 28 Ų | 28 | 69.8 Ų | 69.8 | 18% | 0.182 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -50.7 | -40 | 165 | 21.2 | -38.7 | 0 | 0 | 0 | 113.5 | S458 K642 I646 L647 D648 | S458-P644 WeakPolarHBondContact OG-CB 3.46Å; S458-P644 WeakPolarHBondContact OG-CD 3.15Å; S458-P644 WeakPolarHBondContact OG-CG 3.43Å; K642-P644 VanDerWaalsContact C-N 3.28Å; K642-P644 HydrophobicContact CB-CG 3.76Å; K642-P644 WeakPolarHBondContact O-CD 3.48Å; K642-P644 WeakPolarHBondContact O-CG 3.45Å; P644-I646 VanDerWaalsContact C-N 3.26Å; P644-I646 PolarHBondContact O-N 3.48Å; P644-L647 PolarHBondContact O-N 3.18Å; P644-D648 WeakPolarHBondContact O-CB 3.08Å; P644-D648 PolarHBondContact O-N 3.39Å |
| 645 | T | 47.3 | Very low | 51.9 | Low | 54 Ų | 54 | 65.8 Ų | 65.8 | 33% | 0.331 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65 | -31.1 | 177.8 | 60.1 | 0 | 0 | 0 | 0 | 111.7 | K642 I643 E649 | K642-T645 WeakPolarHBondContact O-CB 3.49Å; K642-T645 PolarHBondContact O-N 2.91Å; K642-T645 PolarHBondContact O-OG1 3.42Å; I643-T645 PolarHBondContact O-N 3.42Å; T645-E649 WeakPolarHBondContact O-CB 3.29Å; T645-E649 WeakPolarHBondContact O-CG 3.4Å; T645-E649 PolarHBondContact O-N 2.86Å |
| 646 | I | 53.3 | Low | 54.6 | Low | 68 Ų | 68 | 60 Ų | 60 | 35% | 0.349 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -71.8 | -46.7 | 179.2 | -57.4 | 175.7 | 0 | 0 | 0 | 110.6 | I643 P644 E649 Y650 | I643-I646 HydrophobicContact CG2-CD1 4.36Å; I643-I646 PolarHBondContact O-N 3.43Å; P644-I646 VanDerWaalsContact C-N 3.26Å; P644-I646 PolarHBondContact O-N 3.48Å; I646-E649 PolarHBondContact O-N 2.89Å; I646-Y650 WeakPolarHBondContact O-CB 3.47Å; I646-Y650 PolarHBondContact O-N 3.01Å |
| 647 | L | 62 | Low | 57.5 | Low | 40 Ų | 40 | 54.5 Ų | 54.5 | 21% | 0.209 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.5 | -43.4 | 176.8 | -175.4 | 65.7 | 0 | 0 | 0 | 111 | I522 I643 P644 E649 Y650 L651 | I522-L647 HydrophobicContact CD1-CD1 4.08Å; I643-L647 PolarHBondContact O-N 2.67Å; P644-L647 PolarHBondContact O-N 3.18Å; L647-E649 VanDerWaalsContact C-N 3.33Å; L647-E649 PolarHBondContact O-N 3.19Å; L647-Y650 PolarHBondContact O-N 2.89Å; L647-L651 HydrophobicContact CD1-CD1 4.39Å; L647-L651 HydrophobicContact CD1-CG 4.36Å; L647-L651 HydrophobicContact CD2-CD1 4.48Å; L647-L651 HydrophobicContact CG-CD1 3.95Å; L647-L651 HydrophobicContact CG-CG 4.34Å; L647-L651 WeakPolarHBondContact O-CB 3.36Å; L647-L651 VanDerWaalsContact O-CG 3.29Å; L647-L651 WeakPolarHBondContact O-CG 3.18Å; L647-L651 PolarHBondContact O-N 3.42Å |
| 648 | D | 65.9 | Low | 60.4 | Low | 58 Ų | 58 | 49.1 Ų | 49.1 | 31% | 0.31 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.3 | -39.1 | 176.8 | -71.6 | -24.4 | 0 | 0 | 0 | 111 | P644 L652 | P644-D648 WeakPolarHBondContact O-CB 3.08Å; P644-D648 PolarHBondContact O-N 3.39Å; D648-L652 WeakPolarHBondContact O-CA 3.35Å; D648-L652 WeakPolarHBondContact O-CB 3.29Å; D648-L652 PolarHBondContact O-N 3.22Å |
| 649 | E | 70.7 | Confident | 63.2 | Low | 69 Ų | 69 | 46.1 Ų | 46.1 | 32% | 0.322 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.2 | -40.7 | 174.2 | -79 | 173.3 | -158.5 | 0 | 0 | 112.2 | V632 T645 I646 L647 L652 K653 | V632-E649 HydrophobicContact CG2-CB 3.92Å; V632-E649 WeakPolarHBondContact CG2-OE2 3.46Å; T645-E649 WeakPolarHBondContact O-CB 3.29Å; T645-E649 WeakPolarHBondContact O-CG 3.4Å; T645-E649 PolarHBondContact O-N 2.86Å; I646-E649 PolarHBondContact O-N 2.89Å; L647-E649 VanDerWaalsContact C-N 3.33Å; L647-E649 PolarHBondContact O-N 3.19Å; E649-L652 PolarHBondContact O-N 3.26Å; E649-K653 WeakPolarHBondContact O-CG 3.15Å; E649-K653 PolarHBondContact O-N 2.94Å |
| 650 | Y | 74.5 | Confident | 66.1 | Low | 33 Ų | 33 | 42.7 Ų | 42.7 | 13% | 0.129 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.4 | -49.3 | 174.7 | 179.7 | -89 | 0 | 0 | 0 | 111.2 | I646 L647 L652 K653 E654 S690 L691 V785 | I646-Y650 WeakPolarHBondContact O-CB 3.47Å; I646-Y650 PolarHBondContact O-N 3.01Å; L647-Y650 PolarHBondContact O-N 2.89Å; Y650-L652 VanDerWaalsContact C-N 3.32Å; Y650-L652 PolarHBondContact O-N 2.73Å; Y650-K653 PolarHBondContact O-N 3.47Å; Y650-E654 VanDerWaalsContact CE1-OE2 3.28Å; Y650-E654 WeakPolarHBondContact CE1-OE2 3.31Å; Y650-E654 WeakPolarHBondContact O-CB 3.33Å; Y650-E654 PolarHBondContact O-N 3.34Å; Y650-S690 PolarHBondContact OH-OG 3.01Å; Y650-L691 HydrophobicContact CE2-CB 4.1Å; Y650-L691 HydrophobicContact CE2-CD1 4.32Å; Y650-V785 HydrophobicContact CE1-CG1 4.44Å |
| 651 | L | 79 | Confident | 68.8 | Low | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.1 | -38.4 | 177.2 | -71.4 | 173.5 | 0 | 0 | 0 | 111.6 | M527 P586 L647 E654 Y655 | M527-L651 HydrophobicContact CE-CD2 4.14Å; P586-L651 HydrophobicContact CB-CB 3.96Å; P586-L651 HydrophobicContact CG-CB 4.13Å; L647-L651 HydrophobicContact CD1-CD1 4.39Å; L647-L651 HydrophobicContact CD1-CG 4.36Å; L647-L651 HydrophobicContact CD2-CD1 4.48Å; L647-L651 HydrophobicContact CG-CD1 3.95Å; L647-L651 HydrophobicContact CG-CG 4.34Å; L647-L651 WeakPolarHBondContact O-CB 3.36Å; L647-L651 VanDerWaalsContact O-CG 3.29Å; L647-L651 WeakPolarHBondContact O-CG 3.18Å; L647-L651 PolarHBondContact O-N 3.42Å; L651-E654 PolarHBondContact O-N 2.91Å; L651-Y655 HydrophobicContact CB-CD2 4.34Å; L651-Y655 HydrophobicContact CB-CE2 4.19Å; L651-Y655 HydrophobicContact CD2-CE2 4.05Å; L651-Y655 WeakPolarHBondContact O-CB 3.49Å; L651-Y655 WeakPolarHBondContact O-CD2 3.48Å; L651-Y655 PolarHBondContact O-N 2.83Å |
| 652 | L | 82.5 | Confident | 71.5 | Confident | 16 Ų | 16 | 34 Ų | 34 | 8% | 0.084 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.5 | -49.2 | 175 | -179.4 | 63.6 | 0 | 0 | 0 | 110.2 | P586 Y589 V627 D648 E649 Y650 L656 | P586-L652 HydrophobicContact CG-CB 4.09Å; Y589-L652 HydrophobicContact CD2-CD1 3.8Å; Y589-L652 HydrophobicContact CE2-CD1 3.5Å; Y589-L652 VanDerWaalsContact CE2-CD1 3.5Å; V627-L652 HydrophobicContact CG1-CD2 4.25Å; V627-L652 HydrophobicContact CG1-CG 4.49Å; D648-L652 WeakPolarHBondContact O-CA 3.35Å; D648-L652 WeakPolarHBondContact O-CB 3.29Å; D648-L652 PolarHBondContact O-N 3.22Å; E649-L652 PolarHBondContact O-N 3.26Å; Y650-L652 VanDerWaalsContact C-N 3.32Å; Y650-L652 PolarHBondContact O-N 2.73Å; L652-L656 WeakPolarHBondContact O-CB 3.45Å; L652-L656 PolarHBondContact O-N 2.81Å |
| 653 | K | 84.3 | Confident | 74.1 | Confident | 14 Ų | 14 | 26.4 Ų | 26.4 | 6% | 0.061 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.2 | -48.3 | 176.2 | -71.3 | 179.5 | -176.1 | -169.9 | 0 | 110.9 | V627 L628 T630 E649 Y650 Y655 L656 F657 V683 L691 | V627-K653 WeakPolarHBondContact O-CE 3.41Å; L628-K653 PolarHBondContact O-NZ 3.1Å; T630-K653 PolarHBondContact O-NZ 3.34Å; E649-K653 WeakPolarHBondContact O-CG 3.15Å; E649-K653 PolarHBondContact O-N 2.94Å; Y650-K653 PolarHBondContact O-N 3.47Å; K653-Y655 PolarHBondContact O-N 3.31Å; K653-L656 PolarHBondContact O-N 3.24Å; K653-F657 HydrophobicContact CB-CD2 4.44Å; K653-F657 HydrophobicContact CB-CE2 4.48Å; K653-F657 WeakPolarHBondContact O-CB 3.3Å; K653-F657 WeakPolarHBondContact O-CD2 2.97Å; K653-F657 PolarHBondContact O-N 3.32Å; K653-V683 HydrophobicContact CD-CG1 4.48Å; K653-L691 HydrophobicContact CB-CD1 3.7Å |
| 654 | E | 83 | Confident | 76.5 | Confident | 18 Ų | 18 | 23.7 Ų | 23.7 | 8% | 0.084 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.5 | -50.4 | -178.6 | -175.4 | 176.9 | -179.3 | 0 | 0 | 111.8 | Y650 L651 F657 K658 S690 L691 I694 | Y650-E654 VanDerWaalsContact CE1-OE2 3.28Å; Y650-E654 WeakPolarHBondContact CE1-OE2 3.31Å; Y650-E654 WeakPolarHBondContact O-CB 3.33Å; Y650-E654 PolarHBondContact O-N 3.34Å; L651-E654 PolarHBondContact O-N 2.91Å; E654-F657 PolarHBondContact O-N 3.2Å; E654-K658 WeakPolarHBondContact O-CB 3.21Å; E654-K658 PolarHBondContact O-N 3.46Å; E654-S690 WeakPolarHBondContact OE1-CB 3.24Å; E654-S690 PolarHBondContact OE1-OG 3.43Å; E654-S690 PolarHBondContact OE2-OG 3.06Å; E654-L691 HydrophobicContact CB-CD1 4.25Å; E654-I694 HydrophobicContact CG-CD1 3.93Å |
| 655 | Y | 86.2 | Confident | 78.9 | Confident | 12 Ų | 12 | 25.3 Ų | 25.3 | 5% | 0.047 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -72.4 | -33 | 179.8 | -64.9 | -47.2 | 0 | 0 | 0 | 112.9 | P586 Y589 Q590 L651 K653 K658 F659 | P586-Y655 HydrophobicContact CB-CD2 3.67Å; P586-Y655 HydrophobicContact CB-CE2 4.21Å; Y589-Y655 WeakPolarHBondContact CB-O 3.21Å; Q590-Y655 HydrophobicContact CB-CD1 3.93Å; Q590-Y655 HydrophobicContact CB-CD2 4.14Å; Q590-Y655 HydrophobicContact CB-CE1 4.2Å; Q590-Y655 HydrophobicContact CB-CE2 4.38Å; Q590-Y655 HydrophobicContact CB-CG 3.92Å; Q590-Y655 HydrophobicContact CG-CD1 4.03Å; Q590-Y655 HydrophobicContact CG-CE1 3.87Å; Q590-Y655 HydrophobicContact CG-CG 4.49Å; L651-Y655 HydrophobicContact CB-CD2 4.34Å; L651-Y655 HydrophobicContact CB-CE2 4.19Å; L651-Y655 HydrophobicContact CD2-CE2 4.05Å; L651-Y655 WeakPolarHBondContact O-CB 3.49Å; L651-Y655 WeakPolarHBondContact O-CD2 3.48Å; L651-Y655 PolarHBondContact O-N 2.83Å; K653-Y655 PolarHBondContact O-N 3.31Å; Y655-K658 HydrophobicContact CD1-CD 4.43Å; Y655-K658 PolarHBondContact O-N 2.93Å; Y655-F659 WeakPolarHBondContact O-CB 3.34Å; Y655-F659 PolarHBondContact O-N 3.12Å |
| 656 | L | 87.9 | Confident | 80.6 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60 | -45.9 | 170.6 | 175.1 | 65.4 | 0 | 0 | 0 | 110.9 | Y589 L618 L624 V627 L652 K653 F659 L660 | Y589-L656 HydrophobicContact CD1-CB 4.41Å; Y589-L656 HydrophobicContact CD1-CD1 3.76Å; Y589-L656 HydrophobicContact CE1-CD1 3.42Å; Y589-L656 VanDerWaalsContact CE1-CD1 3.42Å; Y589-L656 HydrophobicContact CG-CB 4.41Å; L618-L656 HydrophobicContact CD1-CD1 4.3Å; L618-L656 HydrophobicContact CD2-CD1 4.5Å; L624-L656 HydrophobicContact CD2-CD1 4.21Å; L624-L656 HydrophobicContact CD2-CD2 4.03Å; V627-L656 HydrophobicContact CG1-CD2 3.81Å; L652-L656 WeakPolarHBondContact O-CB 3.45Å; L652-L656 PolarHBondContact O-N 2.81Å; K653-L656 PolarHBondContact O-N 3.24Å; L656-F659 WeakPolarHBondContact O-CB 3.06Å; L656-F659 PolarHBondContact O-N 2.87Å; L656-L660 HydrophobicContact CG-CD1 4.46Å; L656-L660 WeakPolarHBondContact O-CG 3.45Å; L656-L660 PolarHBondContact O-N 3.03Å |
| 657 | F | 88.7 | Confident | 82 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -68 | -36.6 | 176.6 | -79.4 | -64.1 | 0 | 0 | 0 | 112.5 | L628 K653 E654 F659 L660 L661 L680 V683 L691 I694 I695 | L628-F657 HydrophobicContact CD2-CE1 4.06Å; L628-F657 HydrophobicContact CD2-CE2 3.78Å; L628-F657 HydrophobicContact CD2-CZ 3.27Å; K653-F657 HydrophobicContact CB-CD2 4.44Å; K653-F657 HydrophobicContact CB-CE2 4.48Å; K653-F657 WeakPolarHBondContact O-CB 3.3Å; K653-F657 WeakPolarHBondContact O-CD2 2.97Å; K653-F657 PolarHBondContact O-N 3.32Å; E654-F657 PolarHBondContact O-N 3.2Å; F657-F659 VanDerWaalsContact C-N 3.33Å; F657-L660 HydrophobicContact CD1-CD1 4.24Å; F657-L660 PolarHBondContact O-N 3.05Å; F657-L661 WeakPolarHBondContact O-CB 3.34Å; F657-L661 PolarHBondContact O-N 3.46Å; F657-L680 HydrophobicContact CD1-CD2 4.29Å; F657-L680 HydrophobicContact CE1-CD2 3.52Å; F657-L680 HydrophobicContact CZ-CD2 4.4Å; F657-V683 HydrophobicContact CE2-CG1 4.24Å; F657-L691 HydrophobicContact CD2-CD1 4.29Å; F657-I694 HydrophobicContact CB-CG2 3.78Å; F657-I695 HydrophobicContact CD1-CG1 4Å; F657-I695 HydrophobicContact CD2-CD1 4.13Å; F657-I695 HydrophobicContact CD2-CG1 4.04Å; F657-I695 HydrophobicContact CE1-CG1 4.1Å; F657-I695 HydrophobicContact CE2-CD1 3.87Å; F657-I695 HydrophobicContact CE2-CG1 4.13Å; F657-I695 HydrophobicContact CG-CG1 3.97Å; F657-I695 HydrophobicContact CZ-CD1 4.04Å; F657-I695 HydrophobicContact CZ-CG1 4.13Å |
| 658 | K | 86.6 | Confident | 83 | Confident | 30 Ų | 30 | 22.1 Ų | 22.1 | 13% | 0.13 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.3 | -43.1 | 172.6 | -163.7 | 174.5 | -178.6 | 169 | 0 | 110.7 | E654 Y655 L661 E662 I694 D781 | E654-K658 WeakPolarHBondContact O-CB 3.21Å; E654-K658 PolarHBondContact O-N 3.46Å; Y655-K658 HydrophobicContact CD1-CD 4.43Å; Y655-K658 PolarHBondContact O-N 2.93Å; K658-L661 WeakPolarHBondContact O-CB 3.23Å; K658-L661 PolarHBondContact O-N 3.46Å; K658-E662 PolarHBondContact O-N 3.13Å; K658-I694 HydrophobicContact CB-CD1 4.28Å; K658-D781 IonicContact NZ-OD1 2.76Å; K658-D781 PolarHBondContact NZ-OD1 2.93Å; K658-D781 VanDerWaalsContact NZ-OD1 3.14Å; K658-D781 IonicContact NZ-OD2 3.1Å; K658-D781 PolarHBondContact NZ-OD2 3.44Å |
| 659 | F | 88.5 | Confident | 83.7 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.6 | -45.8 | 174.3 | 175.5 | -107.1 | 0 | 0 | 0 | 112.6 | F579 Y589 L592 I596 F614 L618 Y655 L656 F657 L661 E662 I663 | F579-F659 HydrophobicContact CE1-CE1 4.43Å; F579-F659 AromaticContact CZ-CE1 3.84Å; F579-F659 HydrophobicContact CZ-CE1 3.84Å; F579-F659 AromaticContact CZ-CZ 3.69Å; F579-F659 HydrophobicContact CZ-CZ 3.69Å; Y589-F659 HydrophobicContact CD1-CB 4.27Å; Y589-F659 HydrophobicContact CD1-CD1 4.07Å; Y589-F659 HydrophobicContact CD1-CG 4.23Å; L592-F659 HydrophobicContact CB-CD2 3.79Å; L592-F659 HydrophobicContact CB-CE2 3.63Å; L592-F659 HydrophobicContact CD1-CE2 4.36Å; I596-F659 HydrophobicContact CD1-CD2 3.98Å; I596-F659 HydrophobicContact CD1-CE2 3.36Å; I596-F659 HydrophobicContact CD1-CZ 4.1Å; I596-F659 HydrophobicContact CG1-CE2 4.44Å; F614-F659 HydrophobicContact CB-CZ 4.21Å; F614-F659 HydrophobicContact CD1-CE2 4.44Å; F614-F659 HydrophobicContact CD1-CZ 4.29Å; L618-F659 HydrophobicContact CD2-CE1 4.19Å; Y655-F659 WeakPolarHBondContact O-CB 3.34Å; Y655-F659 PolarHBondContact O-N 3.12Å; L656-F659 WeakPolarHBondContact O-CB 3.06Å; L656-F659 PolarHBondContact O-N 2.87Å; F657-F659 VanDerWaalsContact C-N 3.33Å; F659-L661 VanDerWaalsContact C-N 3.28Å; F659-L661 PolarHBondContact O-N 3.32Å; F659-E662 PolarHBondContact O-N 3.41Å; F659-I663 HydrophobicContact CD1-CD1 4.05Å; F659-I663 HydrophobicContact CE1-CD1 3.43Å; F659-I663 VanDerWaalsContact CE1-CD1 3.43Å; F659-I663 HydrophobicContact CE2-CD1 4.11Å; F659-I663 HydrophobicContact CZ-CD1 3.48Å; F659-I663 VanDerWaalsContact CZ-CD1 3.48Å; F659-I663 HydrophobicContact CZ-CG1 4.34Å; F659-I663 PolarHBondContact O-N 2.88Å; F659-I663 VanDerWaalsContact O-N 3.08Å |
| 660 | L | 88.6 | Confident | 84.3 | Confident | 3 Ų | 3 | 23.8 Ų | 23.8 | 2% | 0.016 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62 | -36.6 | 174.9 | -71.6 | 174.7 | 0 | 0 | 0 | 112.1 | F615 L618 L656 F657 I663 A664 I675 L698 | F615-L660 HydrophobicContact CD2-CD2 4.17Å; F615-L660 HydrophobicContact CE2-CD2 3.81Å; L618-L660 HydrophobicContact CD2-CD2 3.86Å; L656-L660 HydrophobicContact CG-CD1 4.46Å; L656-L660 WeakPolarHBondContact O-CG 3.45Å; L656-L660 PolarHBondContact O-N 3.03Å; F657-L660 HydrophobicContact CD1-CD1 4.24Å; F657-L660 PolarHBondContact O-N 3.05Å; L660-I663 PolarHBondContact O-N 3.35Å; L660-A664 VanDerWaalsContact O-CB 3.26Å; L660-A664 WeakPolarHBondContact O-CB 3.18Å; L660-A664 PolarHBondContact O-N 3.23Å; L660-I675 HydrophobicContact CD1-CD1 4.06Å; L660-I675 HydrophobicContact CD2-CD1 3.99Å; L660-L698 HydrophobicContact CB-CD1 3.68Å |
| 661 | L | 87.6 | Confident | 84.7 | Confident | 22 Ų | 22 | 22.3 Ų | 22.3 | 12% | 0.115 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.6 | -42.9 | 176.9 | -178.8 | 63.8 | 0 | 0 | 0 | 111.6 | F657 K658 F659 A664 S665 I694 K697 L698 L701 | F657-L661 WeakPolarHBondContact O-CB 3.34Å; F657-L661 PolarHBondContact O-N 3.46Å; K658-L661 WeakPolarHBondContact O-CB 3.23Å; K658-L661 PolarHBondContact O-N 3.46Å; F659-L661 VanDerWaalsContact C-N 3.28Å; F659-L661 PolarHBondContact O-N 3.32Å; L661-A664 PolarHBondContact O-N 3.07Å; L661-S665 PolarHBondContact O-N 3.31Å; L661-I694 HydrophobicContact CB-CG2 4.26Å; L661-I694 HydrophobicContact CD2-CG2 4.07Å; L661-K697 HydrophobicContact CD1-CB 3.96Å; L661-K697 HydrophobicContact CD2-CB 4.17Å; L661-K697 HydrophobicContact CD2-CD 4.02Å; L661-L698 HydrophobicContact CB-CD1 4.19Å; L661-L698 HydrophobicContact CD1-CB 4.2Å; L661-L701 HydrophobicContact CD1-CD1 3.7Å |
| 662 | E | 86.1 | Confident | 84.6 | Confident | 28 Ų | 28 | 25.3 Ų | 25.3 | 13% | 0.131 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.5 | -38.4 | 174.9 | -67.5 | -58.3 | 149.1 | 0 | 0 | 112 | S593 I596 H597 K658 F659 S665 I666 | S593-E662 VanDerWaalsContact OG-CG 3.28Å; S593-E662 WeakPolarHBondContact OG-CG 3.21Å; I596-E662 HydrophobicContact CB-CB 4.38Å; I596-E662 HydrophobicContact CG2-CB 3.95Å; H597-E662 IonicContact CG-OE2 3.6Å; H597-E662 IonicContact ND1-OE1 2.69Å; H597-E662 IonicContact ND1-OE2 3.59Å; H597-E662 PolarHBondContact ND1-OE2 3.12Å; H597-E662 VanDerWaalsContact ND1-OE2 3.11Å; K658-E662 PolarHBondContact O-N 3.13Å; F659-E662 PolarHBondContact O-N 3.41Å; E662-S665 PolarHBondContact O-OG 3.07Å; E662-I666 WeakPolarHBondContact O-CD1 3.28Å |
| 663 | I | 86.6 | Confident | 84.4 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.5 | -42.8 | 172.7 | -66 | 174.8 | 0 | 0 | 0 | 110.6 | I596 P611 F614 F615 F659 L660 S665 I666 A667 V671 | I596-I663 HydrophobicContact CD1-CD1 4.3Å; I596-I663 HydrophobicContact CD1-CG1 3.69Å; P611-I663 HydrophobicContact CB-CG2 4.26Å; F614-I663 HydrophobicContact CB-CD1 4.13Å; F615-I663 HydrophobicContact CB-CD1 4.38Å; F615-I663 HydrophobicContact CB-CG2 4.4Å; F615-I663 HydrophobicContact CD2-CD1 4.36Å; F615-I663 HydrophobicContact CD2-CG2 4.4Å; F659-I663 HydrophobicContact CD1-CD1 4.05Å; F659-I663 HydrophobicContact CE1-CD1 3.43Å; F659-I663 VanDerWaalsContact CE1-CD1 3.43Å; F659-I663 HydrophobicContact CE2-CD1 4.11Å; F659-I663 HydrophobicContact CZ-CD1 3.48Å; F659-I663 VanDerWaalsContact CZ-CD1 3.48Å; F659-I663 HydrophobicContact CZ-CG1 4.34Å; F659-I663 PolarHBondContact O-N 2.88Å; F659-I663 VanDerWaalsContact O-N 3.08Å; L660-I663 PolarHBondContact O-N 3.35Å; I663-S665 VanDerWaalsContact C-N 3.34Å; I663-S665 PolarHBondContact O-N 3.23Å; I663-I666 PolarHBondContact O-N 3.49Å; I663-A667 PolarHBondContact O-N 3.34Å; I663-V671 HydrophobicContact CB-CG2 4.36Å; I663-V671 HydrophobicContact CG2-CG2 3.78Å |
| 664 | A | 85 | Confident | 84.2 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.7 | -32.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L660 L661 I666 P668 V671 L701 | L660-A664 VanDerWaalsContact O-CB 3.26Å; L660-A664 WeakPolarHBondContact O-CB 3.18Å; L660-A664 PolarHBondContact O-N 3.23Å; L661-A664 PolarHBondContact O-N 3.07Å; A664-I666 VanDerWaalsContact C-N 3.29Å; A664-I666 PolarHBondContact O-N 2.99Å; A664-P668 WeakPolarHBondContact O-CA 3.39Å; A664-P668 WeakPolarHBondContact O-CB 3.45Å; A664-P668 VanDerWaalsContact O-CD 3.28Å; A664-P668 WeakPolarHBondContact O-CD 3.34Å; A664-V671 HydrophobicContact CB-CB 4.37Å; A664-V671 HydrophobicContact CB-CG2 3.98Å; A664-L701 HydrophobicContact CB-CD1 4.32Å |
| 665 | S | 82.5 | Confident | 84.2 | Confident | 61 Ų | 61 | 36.3 Ų | 36.3 | 43% | 0.427 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -66 | -33.3 | 177.5 | 69.8 | 0 | 0 | 0 | 0 | 111.9 | L661 E662 I663 | L661-S665 PolarHBondContact O-N 3.31Å; E662-S665 PolarHBondContact O-OG 3.07Å; I663-S665 VanDerWaalsContact C-N 3.34Å; I663-S665 PolarHBondContact O-N 3.23Å |
| 666 | I | 82.9 | Confident | 83.9 | Confident | 57 Ų | 57 | 36.3 Ų | 36.3 | 29% | 0.292 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -91.8 | -47 | -179.6 | -56.2 | 155.3 | 0 | 0 | 0 | 111.9 | I596 Y600 P611 E662 I663 A664 | I596-I666 HydrophobicContact CG2-CD1 3.28Å; Y600-I666 HydrophobicContact CD1-CD1 4.1Å; Y600-I666 HydrophobicContact CD1-CG1 4.32Å; Y600-I666 HydrophobicContact CD1-CG2 3.65Å; Y600-I666 HydrophobicContact CD2-CD1 3.33Å; Y600-I666 HydrophobicContact CD2-CG1 4.37Å; Y600-I666 HydrophobicContact CE1-CG2 3.8Å; Y600-I666 HydrophobicContact CE2-CD1 4.02Å; Y600-I666 HydrophobicContact CG-CD1 3.38Å; Y600-I666 HydrophobicContact CG-CG1 3.96Å; Y600-I666 HydrophobicContact CG-CG2 4.1Å; P611-I666 HydrophobicContact CG-CB 4.12Å; P611-I666 HydrophobicContact CG-CD1 4.5Å; P611-I666 HydrophobicContact CG-CG2 3.6Å; E662-I666 WeakPolarHBondContact O-CD1 3.28Å; I663-I666 PolarHBondContact O-N 3.49Å; A664-I666 VanDerWaalsContact C-N 3.29Å; A664-I666 PolarHBondContact O-N 2.99Å |
| 667 | A | 84.1 | Confident | 83.7 | Confident | 20 Ų | 20 | 36.8 Ų | 36.8 | 17% | 0.165 | 18% | 0.175 | C | C | . | . | trans | -132.4 | 65 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112 | P611 I663 K669 V670 | P611-A667 HydrophobicContact CB-CB 3.89Å; P611-A667 HydrophobicContact CG-CB 4.12Å; I663-A667 PolarHBondContact O-N 3.34Å; A667-K669 VanDerWaalsContact C-N 3.25Å; A667-K669 PolarHBondContact O-N 3.15Å; A667-K669 VanDerWaalsContact O-N 3.14Å; A667-V670 HydrophobicContact CB-CB 4.46Å; A667-V670 HydrophobicContact CB-CG2 3.95Å; A667-V670 WeakPolarHBondContact O-CB 3.49Å; A667-V670 PolarHBondContact O-N 3.22Å | ||
| 668 | P | 81.1 | Confident | 83.5 | Confident | 18 Ų | 18 | 38.1 Ų | 38.1 | 12% | 0.117 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.6 | -36.2 | -172.5 | 21 | -32.8 | 0 | 0 | 0 | 113.1 | A664 V670 V671 Y672 F705 | A664-P668 WeakPolarHBondContact O-CA 3.39Å; A664-P668 WeakPolarHBondContact O-CB 3.45Å; A664-P668 VanDerWaalsContact O-CD 3.28Å; A664-P668 WeakPolarHBondContact O-CD 3.34Å; P668-V670 PolarHBondContact O-N 3.02Å; P668-V670 VanDerWaalsContact O-N 3.15Å; P668-V671 PolarHBondContact O-N 3.17Å; P668-V671 VanDerWaalsContact O-N 3.08Å; P668-Y672 WeakPolarHBondContact O-CD1 3.25Å; P668-Y672 PolarHBondContact O-N 3.36Å; P668-Y672 VanDerWaalsContact O-N 3.13Å; P668-F705 HydrophobicContact CB-CB 4.38Å; P668-F705 HydrophobicContact CB-CD1 4.48Å; P668-F705 HydrophobicContact CB-CD2 3.29Å; P668-F705 HydrophobicContact CB-CE2 3.61Å; P668-F705 HydrophobicContact CB-CG 3.82Å; P668-F705 HydrophobicContact CB-CZ 4.3Å; P668-F705 HydrophobicContact CG-CD1 4Å; P668-F705 HydrophobicContact CG-CD2 3.51Å; P668-F705 HydrophobicContact CG-CE1 3.87Å; P668-F705 HydrophobicContact CG-CE2 3.41Å; P668-F705 VanDerWaalsContact CG-CE2 3.41Å; P668-F705 HydrophobicContact CG-CG 3.83Å; P668-F705 HydrophobicContact CG-CZ 3.6Å |
| 669 | K | 81.5 | Confident | 83.3 | Confident | 144 Ų | 144 | 37.1 Ų | 37.1 | 63% | 0.626 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -57.6 | -27.3 | 177.7 | -59.3 | -166.5 | 174.6 | 178.1 | 0 | 114.6 | A667 Y672 R673 | A667-K669 VanDerWaalsContact C-N 3.25Å; A667-K669 PolarHBondContact O-N 3.15Å; A667-K669 VanDerWaalsContact O-N 3.14Å; K669-Y672 HydrophobicContact CB-CE1 3.97Å; K669-Y672 HydrophobicContact CG-CE1 3.78Å; K669-Y672 WeakPolarHBondContact CG-OH 3.05Å; K669-R673 WeakPolarHBondContact O-CB 3.42Å |
| 670 | V | 83.1 | Confident | 83.2 | Confident | 19 Ų | 19 | 37.1 Ų | 37.1 | 12% | 0.115 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -73.5 | -42 | 179.1 | 177.5 | 0 | 0 | 0 | 0 | 110 | K612 F615 A667 P668 H674 | K612-V670 HydrophobicContact CB-CG2 4.01Å; K612-V670 HydrophobicContact CG-CG1 4.43Å; K612-V670 HydrophobicContact CG-CG2 4.03Å; F615-V670 HydrophobicContact CB-CG1 3.59Å; F615-V670 HydrophobicContact CD1-CG1 3.32Å; F615-V670 HydrophobicContact CD2-CG1 4.44Å; F615-V670 HydrophobicContact CE1-CG1 4.03Å; F615-V670 WeakPolarHBondContact CE1-O 3.41Å; F615-V670 HydrophobicContact CG-CG1 3.53Å; A667-V670 HydrophobicContact CB-CB 4.46Å; A667-V670 HydrophobicContact CB-CG2 3.95Å; A667-V670 WeakPolarHBondContact O-CB 3.49Å; A667-V670 PolarHBondContact O-N 3.22Å; P668-V670 PolarHBondContact O-N 3.02Å; P668-V670 VanDerWaalsContact O-N 3.15Å; V670-H674 PolarHBondContact O-ND1 2.83Å |
| 671 | V | 82.3 | Confident | 83.1 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -74 | -54.2 | -175.6 | -178.4 | 0 | 0 | 0 | 0 | 110.8 | F615 I663 A664 P668 R673 H674 I675 | F615-V671 HydrophobicContact CD2-CG2 4.34Å; F615-V671 HydrophobicContact CE2-CG2 4.15Å; I663-V671 HydrophobicContact CB-CG2 4.36Å; I663-V671 HydrophobicContact CG2-CG2 3.78Å; A664-V671 HydrophobicContact CB-CB 4.37Å; A664-V671 HydrophobicContact CB-CG2 3.98Å; P668-V671 PolarHBondContact O-N 3.17Å; P668-V671 VanDerWaalsContact O-N 3.08Å; V671-R673 VanDerWaalsContact C-N 3.27Å; V671-R673 PolarHBondContact O-N 3.19Å; V671-H674 PolarHBondContact O-N 3.3Å; V671-H674 VanDerWaalsContact O-N 3.11Å; V671-I675 HydrophobicContact CG1-CB 4.48Å; V671-I675 HydrophobicContact CG1-CD1 4.15Å; V671-I675 PolarHBondContact O-N 3.3Å |
| 672 | Y | 77.8 | Confident | 82.9 | Confident | 68 Ų | 68 | 37 Ų | 37 | 27% | 0.267 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -69 | -22.4 | -172.2 | 73.7 | -113.3 | 0 | 0 | 0 | 114.7 | P668 K669 H674 F705 | P668-Y672 WeakPolarHBondContact O-CD1 3.25Å; P668-Y672 PolarHBondContact O-N 3.36Å; P668-Y672 VanDerWaalsContact O-N 3.13Å; K669-Y672 HydrophobicContact CB-CE1 3.97Å; K669-Y672 HydrophobicContact CG-CE1 3.78Å; K669-Y672 WeakPolarHBondContact CG-OH 3.05Å; Y672-H674 PolarHBondContact O-N 3.12Å; Y672-F705 HydrophobicContact CD1-CB 4.14Å; Y672-F705 HydrophobicContact CE1-CB 3.82Å |
| 673 | R | 79.2 | Confident | 82.8 | Confident | 204 Ų | 204 | 36.6 Ų | 36.6 | 77% | 0.77 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -21.3 | 176.9 | -175.4 | 172.1 | 176.9 | 163.2 | 1.5 | 112.6 | K669 V671 | K669-R673 WeakPolarHBondContact O-CB 3.42Å; V671-R673 VanDerWaalsContact C-N 3.27Å; V671-R673 PolarHBondContact O-N 3.19Å |
| 674 | H | 79.6 | Confident | 82.9 | Confident | 71 Ų | 71 | 36.6 Ų | 36.6 | 33% | 0.329 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | -26.4 | -174.6 | -55.9 | 84.9 | 0 | 0 | 0 | 113 | F615 L619 V670 V671 Y672 P676 L735 | F615-H674 HydrophobicContact CE1-CB 3.73Å; F615-H674 AromaticContact CE1-CG 3.81Å; F615-H674 AromaticContact CE1-ND1 3.72Å; F615-H674 HydrophobicContact CZ-CB 4.02Å; L619-H674 HydrophobicContact CD1-CB 3.96Å; V670-H674 PolarHBondContact O-ND1 2.83Å; V671-H674 PolarHBondContact O-N 3.3Å; V671-H674 VanDerWaalsContact O-N 3.11Å; Y672-H674 PolarHBondContact O-N 3.12Å; H674-P676 WeakPolarHBondContact O-CD 3.47Å; H674-L735 WeakPolarHBondContact O-CD2 3.4Å |
| 675 | I | 82.2 | Confident | 83 | Confident | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -108 | 109 | 178.7 | -62.9 | 177.4 | 0 | 0 | 0 | 108.5 | F615 L624 L660 V671 W679 L680 M702 | F615-I675 HydrophobicContact CE2-CD1 3.83Å; F615-I675 HydrophobicContact CE2-CG1 4.49Å; F615-I675 HydrophobicContact CZ-CD1 3.88Å; F615-I675 HydrophobicContact CZ-CG1 4.04Å; L624-I675 HydrophobicContact CD1-CD1 3.98Å; L624-I675 HydrophobicContact CD1-CG1 4.36Å; L660-I675 HydrophobicContact CD1-CD1 4.06Å; L660-I675 HydrophobicContact CD2-CD1 3.99Å; V671-I675 HydrophobicContact CG1-CB 4.48Å; V671-I675 HydrophobicContact CG1-CD1 4.15Å; V671-I675 PolarHBondContact O-N 3.3Å; I675-W679 HydrophobicContact CG2-CE3 4.41Å; I675-L680 HydrophobicContact CG2-CD2 4.25Å; I675-L680 HydrophobicContact CG2-CG 4.48Å; I675-M702 WeakPolarHBondContact O-CE 3.39Å |
| 676 | P | 80.6 | Confident | 83.4 | Confident | 12 Ų | 12 | 37.3 Ų | 37.3 | 8% | 0.078 | 18% | 0.176 | C | C | . | . | trans | -63.8 | 142.2 | 172.4 | -21.3 | 33.4 | 0 | 0 | 0 | 111.6 | H674 L678 W679 | H674-P676 WeakPolarHBondContact O-CD 3.47Å; P676-L678 PolarHBondContact O-N 3.22Å; P676-W679 HydrophobicContact CB-CG 4.45Å; P676-W679 HydrophobicContact CG-CD2 4.41Å; P676-W679 HydrophobicContact CG-CG 4.43Å; P676-W679 WeakPolarHBondContact O-CB 3.33Å; P676-W679 PolarHBondContact O-N 3.41Å | ||
| 677 | V | 84.2 | Confident | 83.7 | Confident | 10 Ų | 10 | 35.3 Ų | 35.3 | 6% | 0.061 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.3 | -33 | 176.5 | 175.8 | 0 | 0 | 0 | 0 | 111.9 | W679 L680 L681 I699 M702 L710 | V677-W679 PolarHBondContact O-N 3.1Å; V677-L680 WeakPolarHBondContact O-CB 3.24Å; V677-L680 PolarHBondContact O-N 3.46Å; V677-L681 HydrophobicContact CG1-CD1 4.22Å; V677-L681 HydrophobicContact CG1-CG 4.31Å; V677-L681 PolarHBondContact O-N 3.2Å; V677-I699 HydrophobicContact CG1-CG2 4.42Å; V677-M702 HydrophobicContact CB-CE 4.36Å; V677-M702 HydrophobicContact CG2-CB 4.28Å; V677-M702 HydrophobicContact CG2-CE 3.38Å; V677-M702 HydrophobicContact CG2-SD 4.2Å; V677-L710 HydrophobicContact CG1-CD2 3.44Å; V677-L710 VanDerWaalsContact CG1-CD2 3.44Å; V677-L710 HydrophobicContact CG1-CG 4Å |
| 678 | L | 83.5 | Confident | 83.6 | Confident | 28 Ų | 28 | 35.3 Ų | 35.3 | 15% | 0.147 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.3 | -28.2 | 177.2 | -69.4 | 171.8 | 0 | 0 | 0 | 113.4 | P676 L680 L681 S682 L722 Y726 F728 P738 | P676-L678 PolarHBondContact O-N 3.22Å; L678-L680 VanDerWaalsContact C-N 3.32Å; L678-L681 HydrophobicContact CD2-CD1 4.47Å; L678-L681 PolarHBondContact O-N 3.21Å; L678-S682 PolarHBondContact O-N 3.21Å; L678-L722 HydrophobicContact CB-CD2 4.38Å; L678-L722 HydrophobicContact CD2-CD1 4.1Å; L678-L722 HydrophobicContact CD2-CD2 4.19Å; L678-L722 WeakPolarHBondContact O-CD2 3.17Å; L678-Y726 HydrophobicContact CD1-CD1 3.76Å; L678-Y726 HydrophobicContact CD1-CE1 3.63Å; L678-Y726 HydrophobicContact CD1-CG 4.34Å; L678-Y726 HydrophobicContact CD2-CD2 4.39Å; L678-Y726 HydrophobicContact CD2-CE1 4.37Å; L678-Y726 HydrophobicContact CD2-CE2 4.06Å; L678-F728 HydrophobicContact CB-CE1 4.39Å; L678-P738 HydrophobicContact CB-CG 3.96Å; L678-P738 HydrophobicContact CD1-CB 4.05Å; L678-P738 HydrophobicContact CD1-CG 4.01Å |
| 679 | W | 82.1 | Confident | 83.7 | Confident | 9 Ų | 9 | 34.8 Ų | 34.8 | 3% | 0.034 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -71.7 | -29.2 | 175 | -69 | 14.3 | 0 | 0 | 0 | 112.4 | L624 T625 L628 F629 I675 P676 V677 S682 F728 L735 | L624-W679 HydrophobicContact CB-CZ3 4.33Å; T625-W679 HydrophobicContact CG2-CH2 3.26Å; T625-W679 HydrophobicContact CG2-CZ2 3.61Å; T625-W679 HydrophobicContact CG2-CZ3 3.79Å; L628-W679 HydrophobicContact CD1-CB 4.45Å; L628-W679 HydrophobicContact CD1-CE3 4.01Å; F629-W679 HydrophobicContact CZ-CG 4.38Å; I675-W679 HydrophobicContact CG2-CE3 4.41Å; P676-W679 HydrophobicContact CB-CG 4.45Å; P676-W679 HydrophobicContact CG-CD2 4.41Å; P676-W679 HydrophobicContact CG-CG 4.43Å; P676-W679 WeakPolarHBondContact O-CB 3.33Å; P676-W679 PolarHBondContact O-N 3.41Å; V677-W679 PolarHBondContact O-N 3.1Å; W679-S682 PolarHBondContact O-OG 2.91Å; W679-F728 AromaticContact CD1-CD1 3.75Å; W679-F728 AromaticContact CD1-CE1 3.72Å; W679-F728 AromaticContact NE1-CD1 3.91Å; W679-L735 HydrophobicContact CE3-CD2 4.49Å; W679-L735 HydrophobicContact CH2-CB 4.08Å; W679-L735 HydrophobicContact CH2-CD2 3.25Å; W679-L735 HydrophobicContact CH2-CG 3.79Å; W679-L735 HydrophobicContact CZ2-CD2 4.31Å; W679-L735 HydrophobicContact CZ3-CD2 3.36Å; W679-L735 HydrophobicContact CZ3-CG 4.37Å |
| 680 | L | 86.4 | Confident | 83.5 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -74.5 | -44.5 | 175 | -55.4 | 179 | 0 | 0 | 0 | 109.7 | F657 I675 V677 L678 S682 V683 Y684 I695 L698 I699 M702 | F657-L680 HydrophobicContact CD1-CD2 4.29Å; F657-L680 HydrophobicContact CE1-CD2 3.52Å; F657-L680 HydrophobicContact CZ-CD2 4.4Å; I675-L680 HydrophobicContact CG2-CD2 4.25Å; I675-L680 HydrophobicContact CG2-CG 4.48Å; V677-L680 WeakPolarHBondContact O-CB 3.24Å; V677-L680 PolarHBondContact O-N 3.46Å; L678-L680 VanDerWaalsContact C-N 3.32Å; L680-S682 VanDerWaalsContact C-N 3.26Å; L680-S682 PolarHBondContact O-N 3.5Å; L680-V683 PolarHBondContact O-N 3.27Å; L680-Y684 VanDerWaalsContact O-CB 3.29Å; L680-Y684 WeakPolarHBondContact O-CB 3.5Å; L680-Y684 PolarHBondContact O-N 3.37Å; L680-I695 HydrophobicContact CB-CG2 3.99Å; L680-L698 HydrophobicContact CD1-CD2 3.31Å; L680-L698 HydrophobicContact CD2-CD2 4.06Å; L680-L698 HydrophobicContact CG-CD2 4.33Å; L680-I699 HydrophobicContact CB-CD1 4.04Å; L680-I699 HydrophobicContact CB-CG1 3.89Å; L680-I699 HydrophobicContact CD1-CG1 3.67Å; L680-I699 HydrophobicContact CG-CG1 4.47Å; L680-M702 HydrophobicContact CD1-CE 4.46Å; L680-M702 HydrophobicContact CD1-SD 3.37Å; L680-M702 WeakPolarHBondContact CD1-SD 2.86Å |
| 681 | L | 87.9 | Confident | 83.5 | Confident | 6 Ų | 6 | 29 Ų | 29 | 3% | 0.031 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.5 | -28.8 | 178.7 | -70.6 | 175.9 | 0 | 0 | 0 | 113 | V677 L678 V683 Y684 I699 L710 W718 G719 L722 | V677-L681 HydrophobicContact CG1-CD1 4.22Å; V677-L681 HydrophobicContact CG1-CG 4.31Å; V677-L681 PolarHBondContact O-N 3.2Å; L678-L681 HydrophobicContact CD2-CD1 4.47Å; L678-L681 PolarHBondContact O-N 3.21Å; L681-V683 VanDerWaalsContact C-N 3.31Å; L681-V683 PolarHBondContact O-N 2.92Å; L681-Y684 HydrophobicContact CD2-CD1 4.31Å; L681-I699 HydrophobicContact CD2-CD1 3.84Å; L681-I699 HydrophobicContact CG-CD1 4.37Å; L681-L710 HydrophobicContact CD1-CD2 3.83Å; L681-L710 HydrophobicContact CD2-CD2 4.4Å; L681-L710 HydrophobicContact CG-CD2 4.41Å; L681-W718 HydrophobicContact CB-CB 4.36Å; L681-W718 HydrophobicContact CD2-CB 4.06Å; L681-W718 CarbonylContact O-C 3.56Å; L681-G719 PolarHBondContact O-N 3.15Å; L681-L722 HydrophobicContact CB-CD2 3.84Å |
| 682 | S | 82.5 | Confident | 83.8 | Confident | 15 Ų | 15 | 29 Ų | 29 | 11% | 0.105 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68.3 | -28.7 | 177.5 | 57.3 | 0 | 0 | 0 | 0 | 113.7 | F629 L678 W679 L680 G719 | F629-S682 WeakPolarHBondContact CE1-OG 3.33Å; L678-S682 PolarHBondContact O-N 3.21Å; W679-S682 PolarHBondContact O-OG 2.91Å; L680-S682 VanDerWaalsContact C-N 3.26Å; L680-S682 PolarHBondContact O-N 3.5Å; S682-G719 CarbonylContact O-C 3.6Å |
| 683 | V | 83.7 | Confident | 84.2 | Confident | 20 Ų | 20 | 28.2 Ų | 28.2 | 12% | 0.121 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -97.6 | -16.9 | 179.6 | -171.3 | 0 | 0 | 0 | 0 | 111.7 | L628 K653 F657 L680 L681 I695 | L628-V683 HydrophobicContact CB-CG2 4.2Å; L628-V683 HydrophobicContact CD2-CG2 4.17Å; K653-V683 HydrophobicContact CD-CG1 4.48Å; F657-V683 HydrophobicContact CE2-CG1 4.24Å; L680-V683 PolarHBondContact O-N 3.27Å; L681-V683 VanDerWaalsContact C-N 3.31Å; L681-V683 PolarHBondContact O-N 2.92Å; V683-I695 HydrophobicContact CG1-CD1 4.46Å |
| 684 | Y | 88.2 | Confident | 84.5 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | trans | -77.5 | 124.4 | -178.4 | -175.9 | -117 | 0 | 0 | 0 | 112.5 | L680 L681 A686 D692 I695 L696 W718 G719 F795 | L680-Y684 VanDerWaalsContact O-CB 3.29Å; L680-Y684 WeakPolarHBondContact O-CB 3.5Å; L680-Y684 PolarHBondContact O-N 3.37Å; L681-Y684 HydrophobicContact CD2-CD1 4.31Å; Y684-A686 HydrophobicContact CD1-CB 4.33Å; Y684-A686 VanDerWaalsContact CE1-CA 3.5Å; Y684-A686 HydrophobicContact CE1-CB 3.71Å; Y684-A686 VanDerWaalsContact CZ-CA 3.42Å; Y684-D692 WeakPolarHBondContact CA-OD1 3.33Å; Y684-D692 HydrophobicContact CD2-CB 3.86Å; Y684-D692 VanDerWaalsContact CD2-OD1 3.22Å; Y684-D692 WeakPolarHBondContact CD2-OD1 3.5Å; Y684-D692 HydrophobicContact CE2-CB 3.6Å; Y684-D692 VanDerWaalsContact CE2-O 3.3Å; Y684-D692 WeakPolarHBondContact CE2-O 3.38Å; Y684-I695 HydrophobicContact CD2-CB 4.03Å; Y684-I695 HydrophobicContact CD2-CG2 3.8Å; Y684-I695 HydrophobicContact CG-CG2 4.15Å; Y684-L696 HydrophobicContact CE2-CB 4.07Å; Y684-W718 HydrophobicContact CD1-CB 4.28Å; Y684-W718 HydrophobicContact CD1-CG 4.36Å; Y684-G719 VanDerWaalsContact O-CA 3.29Å; Y684-G719 WeakPolarHBondContact O-CA 3.36Å; Y684-G719 PolarHBondContact O-N 3.31Å; Y684-G719 VanDerWaalsContact O-N 3.11Å; Y684-F795 HydrophobicContact CD1-CE1 4.37Å; Y684-F795 HydrophobicContact CD1-CZ 4.36Å; Y684-F795 HydrophobicContact CE1-CB 4.33Å; Y684-F795 AromaticContact CE1-CD1 3.56Å; Y684-F795 HydrophobicContact CE1-CD1 3.56Å; Y684-F795 AromaticContact CE1-CD2 3.85Å; Y684-F795 HydrophobicContact CE1-CD2 3.85Å; Y684-F795 AromaticContact CE1-CE1 3.66Å; Y684-F795 HydrophobicContact CE1-CE1 3.66Å; Y684-F795 AromaticContact CE1-CE2 3.94Å; Y684-F795 HydrophobicContact CE1-CE2 3.94Å; Y684-F795 AromaticContact CE1-CG 3.64Å; Y684-F795 HydrophobicContact CE1-CG 3.64Å; Y684-F795 AromaticContact CE1-CZ 3.84Å; Y684-F795 HydrophobicContact CE1-CZ 3.84Å; Y684-F795 AromaticContact CZ-CG 3.96Å; Y684-F795 WeakPolarHBondContact OH-CB 3.02Å; Y684-F795 WeakPolarHBondContact OH-CG 3.47Å | ||
| 685 | N | 87.3 | Confident | 85 | Confident | 78 Ų | 78 | 16 Ų | 16 | 42% | 0.417 | 9% | 0.089 | S | C | . | . | trans | -102.7 | 4.9 | 179.5 | -68 | -42.3 | 0 | 0 | 0 | 113.7 | T687 D692 | N685-T687 HydrophobicContact CB-CG2 4.13Å; N685-T687 PolarHBondContact O-N 2.92Å; N685-D692 WeakPolarHBondContact CB-OD2 3.5Å; N685-D692 PolarHBondContact N-OD1 2.96Å; N685-D692 PolarHBondContact N-OD2 2.97Å | ||
| 686 | A | 90.7 | Very high | 85.3 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | trans | 62.3 | 21.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y684 D692 W718 Y791 D792 F795 I796 | Y684-A686 HydrophobicContact CD1-CB 4.33Å; Y684-A686 VanDerWaalsContact CE1-CA 3.5Å; Y684-A686 HydrophobicContact CE1-CB 3.71Å; Y684-A686 VanDerWaalsContact CZ-CA 3.42Å; A686-D692 PolarHBondContact N-OD2 3.38Å; A686-W718 HydrophobicContact CB-CZ2 4.46Å; A686-Y791 HydrophobicContact CB-CD1 3.97Å; A686-Y791 HydrophobicContact CB-CE1 4.27Å; A686-Y791 CarbonylContact O-C 3.57Å; A686-Y791 VanDerWaalsContact O-CA 3.28Å; A686-Y791 WeakPolarHBondContact O-CA 3.23Å; A686-Y791 WeakPolarHBondContact O-CD1 3.42Å; A686-D792 PolarHBondContact O-N 2.84Å; A686-F795 HydrophobicContact CB-CD1 3.62Å; A686-F795 HydrophobicContact CB-CE1 3.93Å; A686-I796 HydrophobicContact CB-CD1 3.82Å; A686-I796 HydrophobicContact CB-CG1 4.44Å | ||
| 687 | T | 89.5 | Confident | 85.7 | Confident | 14 Ų | 14 | 19.8 Ų | 19.8 | 9% | 0.086 | 10% | 0.104 | C | C | . | . | B | Isolated β-bridge | trans | -92.5 | 172 | -179.1 | 68.5 | 0 | 0 | 0 | 0 | 113.2 | N685 S689 D692 T790 | N685-T687 HydrophobicContact CB-CG2 4.13Å; N685-T687 PolarHBondContact O-N 2.92Å; T687-S689 PolarHBondContact O-N 2.88Å; T687-S689 WeakPolarHBondContact OG1-CB 3.47Å; T687-S689 PolarHBondContact OG1-N 2.57Å; T687-S689 PolarHBondContact OG1-OG 2.86Å; T687-D692 WeakPolarHBondContact CA-OD2 3.49Å; T687-D692 WeakPolarHBondContact CB-OD2 3.49Å; T687-D692 PolarHBondContact N-OD2 3.17Å; T687-D692 VanDerWaalsContact O-CB 3.23Å; T687-D692 WeakPolarHBondContact O-CB 3.37Å; T687-D692 PolarHBondContact OG1-OD2 2.84Å; T687-T790 CarbonylContact C-O 3.51Å; T687-T790 VanDerWaalsContact CA-O 3.3Å; T687-T790 WeakPolarHBondContact CA-O 3.48Å |
| 688 | M | 83.5 | Confident | 85.8 | Confident | 20 Ų | 20 | 19.3 Ų | 19.3 | 10% | 0.099 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -81.4 | 7.4 | 173.6 | -82.2 | -64.2 | -57.3 | 0 | 0 | 113.1 | Q693 P766 R769 N788 T790 D792 | M688-Q693 PolarHBondContact O-NE2 3.15Å; M688-P766 HydrophobicContact CE-CB 4.46Å; M688-P766 HydrophobicContact CG-CG 4.31Å; M688-P766 HydrophobicContact SD-CG 4.25Å; M688-R769 HydrophobicContact CE-CG 4.44Å; M688-R769 HydrophobicContact SD-CG 4.25Å; M688-N788 CarbonylContact C-O 3.58Å; M688-N788 HydrophobicContact CB-CB 3.82Å; M688-N788 PolarHBondContact N-O 3.47Å; M688-T790 WeakPolarHBondContact CB-O 3.35Å; M688-T790 PolarHBondContact N-O 3.14Å; M688-D792 HydrophobicContact CG-CB 4.33Å; M688-D792 HydrophobicContact SD-CB 3.91Å; M688-D792 VanDerWaalsContact SD-CG 3.59Å |
| 689 | S | 81.4 | Confident | 86 | Confident | 7 Ų | 7 | 18.2 Ų | 18.2 | 5% | 0.049 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -58.2 | 153.9 | 173 | 66 | 0 | 0 | 0 | 0 | 111.9 | T687 L691 D692 Q693 N788 | T687-S689 PolarHBondContact O-N 2.88Å; T687-S689 WeakPolarHBondContact OG1-CB 3.47Å; T687-S689 PolarHBondContact OG1-N 2.57Å; T687-S689 PolarHBondContact OG1-OG 2.86Å; S689-L691 VanDerWaalsContact C-N 3.31Å; S689-L691 PolarHBondContact O-N 3.42Å; S689-D692 PolarHBondContact O-N 3.31Å; S689-D692 WeakPolarHBondContact OG-CB 3.21Å; S689-D692 PolarHBondContact OG-N 3.04Å; S689-Q693 WeakPolarHBondContact O-CG 3.21Å; S689-Q693 PolarHBondContact O-N 3.01Å; S689-N788 PolarHBondContact N-O 2.83Å |
| 690 | S | 77.9 | Confident | 86.2 | Confident | 33 Ų | 33 | 22.4 Ų | 22.4 | 23% | 0.231 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58.9 | -43.5 | 179.1 | 54.9 | 0 | 0 | 0 | 0 | 111.9 | Y650 E654 Q693 I694 | Y650-S690 PolarHBondContact OH-OG 3.01Å; E654-S690 WeakPolarHBondContact OE1-CB 3.24Å; E654-S690 PolarHBondContact OE1-OG 3.43Å; E654-S690 PolarHBondContact OE2-OG 3.06Å; S690-Q693 PolarHBondContact O-N 2.92Å; S690-I694 WeakPolarHBondContact O-CD1 3.3Å; S690-I694 VanDerWaalsContact O-CG1 3.26Å; S690-I694 WeakPolarHBondContact O-CG1 3.31Å; S690-I694 PolarHBondContact O-N 3.45Å |
| 691 | L | 83.1 | Confident | 86 | Confident | 9 Ų | 9 | 23.3 Ų | 23.3 | 5% | 0.047 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59 | -50.9 | 176.9 | 177 | 134.3 | 0 | 0 | 0 | 111.8 | Y650 K653 E654 F657 S689 Q693 I694 I695 | Y650-L691 HydrophobicContact CE2-CB 4.1Å; Y650-L691 HydrophobicContact CE2-CD1 4.32Å; K653-L691 HydrophobicContact CB-CD1 3.7Å; E654-L691 HydrophobicContact CB-CD1 4.25Å; F657-L691 HydrophobicContact CD2-CD1 4.29Å; S689-L691 VanDerWaalsContact C-N 3.31Å; S689-L691 PolarHBondContact O-N 3.42Å; L691-Q693 VanDerWaalsContact C-N 3.32Å; L691-Q693 PolarHBondContact O-N 3.4Å; L691-I694 WeakPolarHBondContact O-CB 3.44Å; L691-I694 PolarHBondContact O-N 2.66Å; L691-I694 VanDerWaalsContact O-N 3.15Å; L691-I695 HydrophobicContact CD2-CD1 3.52Å; L691-I695 HydrophobicContact CG-CD1 3.97Å; L691-I695 WeakPolarHBondContact O-CG1 3.49Å; L691-I695 PolarHBondContact O-N 3.16Å |
| 692 | D | 88 | Confident | 85.7 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.7 | -38.2 | 179.3 | -84.4 | -15.5 | 0 | 0 | 0 | 111.6 | Y684 N685 A686 T687 S689 I694 I695 L696 | Y684-D692 WeakPolarHBondContact CA-OD1 3.33Å; Y684-D692 HydrophobicContact CD2-CB 3.86Å; Y684-D692 VanDerWaalsContact CD2-OD1 3.22Å; Y684-D692 WeakPolarHBondContact CD2-OD1 3.5Å; Y684-D692 HydrophobicContact CE2-CB 3.6Å; Y684-D692 VanDerWaalsContact CE2-O 3.3Å; Y684-D692 WeakPolarHBondContact CE2-O 3.38Å; N685-D692 WeakPolarHBondContact CB-OD2 3.5Å; N685-D692 PolarHBondContact N-OD1 2.96Å; N685-D692 PolarHBondContact N-OD2 2.97Å; A686-D692 PolarHBondContact N-OD2 3.38Å; T687-D692 WeakPolarHBondContact CA-OD2 3.49Å; T687-D692 WeakPolarHBondContact CB-OD2 3.49Å; T687-D692 PolarHBondContact N-OD2 3.17Å; T687-D692 VanDerWaalsContact O-CB 3.23Å; T687-D692 WeakPolarHBondContact O-CB 3.37Å; T687-D692 PolarHBondContact OG1-OD2 2.84Å; S689-D692 PolarHBondContact O-N 3.31Å; S689-D692 WeakPolarHBondContact OG-CB 3.21Å; S689-D692 PolarHBondContact OG-N 3.04Å; D692-I694 VanDerWaalsContact C-N 3.32Å; D692-I694 PolarHBondContact O-N 3.37Å; D692-I695 PolarHBondContact O-N 3.27Å; D692-L696 VanDerWaalsContact O-CB 3.28Å; D692-L696 WeakPolarHBondContact O-CB 3.18Å; D692-L696 PolarHBondContact O-N 3.04Å |
| 693 | Q | 86.3 | Confident | 85.7 | Confident | 51 Ų | 51 | 24.7 Ų | 24.7 | 24% | 0.238 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.7 | -36.4 | 175 | -71.5 | -176.2 | 51.8 | 0 | 0 | 112.7 | M688 S689 S690 L691 K697 | M688-Q693 PolarHBondContact O-NE2 3.15Å; S689-Q693 WeakPolarHBondContact O-CG 3.21Å; S689-Q693 PolarHBondContact O-N 3.01Å; S690-Q693 PolarHBondContact O-N 2.92Å; L691-Q693 VanDerWaalsContact C-N 3.32Å; L691-Q693 PolarHBondContact O-N 3.4Å; Q693-K697 WeakPolarHBondContact O-CG 3.35Å; Q693-K697 PolarHBondContact O-N 2.85Å; Q693-K697 VanDerWaalsContact O-N 3.12Å |
| 694 | I | 86.5 | Confident | 85.6 | Confident | 18 Ų | 18 | 29.6 Ų | 29.6 | 9% | 0.092 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.5 | -48.2 | 174.7 | -67.2 | 162.5 | 0 | 0 | 0 | 109.9 | E654 F657 K658 L661 S690 L691 D692 L696 K697 L698 | E654-I694 HydrophobicContact CG-CD1 3.93Å; F657-I694 HydrophobicContact CB-CG2 3.78Å; K658-I694 HydrophobicContact CB-CD1 4.28Å; L661-I694 HydrophobicContact CB-CG2 4.26Å; L661-I694 HydrophobicContact CD2-CG2 4.07Å; S690-I694 WeakPolarHBondContact O-CD1 3.3Å; S690-I694 VanDerWaalsContact O-CG1 3.26Å; S690-I694 WeakPolarHBondContact O-CG1 3.31Å; S690-I694 PolarHBondContact O-N 3.45Å; L691-I694 WeakPolarHBondContact O-CB 3.44Å; L691-I694 PolarHBondContact O-N 2.66Å; L691-I694 VanDerWaalsContact O-N 3.15Å; D692-I694 VanDerWaalsContact C-N 3.32Å; D692-I694 PolarHBondContact O-N 3.37Å; I694-L696 VanDerWaalsContact C-N 3.3Å; I694-L696 PolarHBondContact O-N 3.24Å; I694-K697 WeakPolarHBondContact O-CB 3.47Å; I694-K697 PolarHBondContact O-N 3.06Å; I694-L698 PolarHBondContact O-N 2.97Å |
| 695 | I | 89.2 | Confident | 85.1 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.2 | -45.2 | 177.9 | -68.3 | 170 | 0 | 0 | 0 | 110.3 | F657 L680 V683 Y684 L691 D692 K697 L698 I699 | F657-I695 HydrophobicContact CD1-CG1 4Å; F657-I695 HydrophobicContact CD2-CD1 4.13Å; F657-I695 HydrophobicContact CD2-CG1 4.04Å; F657-I695 HydrophobicContact CE1-CG1 4.1Å; F657-I695 HydrophobicContact CE2-CD1 3.87Å; F657-I695 HydrophobicContact CE2-CG1 4.13Å; F657-I695 HydrophobicContact CG-CG1 3.97Å; F657-I695 HydrophobicContact CZ-CD1 4.04Å; F657-I695 HydrophobicContact CZ-CG1 4.13Å; L680-I695 HydrophobicContact CB-CG2 3.99Å; V683-I695 HydrophobicContact CG1-CD1 4.46Å; Y684-I695 HydrophobicContact CD2-CB 4.03Å; Y684-I695 HydrophobicContact CD2-CG2 3.8Å; Y684-I695 HydrophobicContact CG-CG2 4.15Å; L691-I695 HydrophobicContact CD2-CD1 3.52Å; L691-I695 HydrophobicContact CG-CD1 3.97Å; L691-I695 WeakPolarHBondContact O-CG1 3.49Å; L691-I695 PolarHBondContact O-N 3.16Å; D692-I695 PolarHBondContact O-N 3.27Å; I695-K697 PolarHBondContact O-N 2.86Å; I695-L698 WeakPolarHBondContact O-CB 3.37Å; I695-L698 PolarHBondContact O-N 3.02Å; I695-L698 VanDerWaalsContact O-N 3.08Å; I695-I699 HydrophobicContact CG2-CD1 3.73Å; I695-I699 HydrophobicContact CG2-CG1 4.23Å; I695-I699 WeakPolarHBondContact O-CG1 3.36Å; I695-I699 PolarHBondContact O-N 3.49Å |
| 696 | L | 89.9 | Confident | 84.5 | Confident | 13 Ų | 13 | 31.9 Ų | 31.9 | 7% | 0.068 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.1 | -39.4 | 179.1 | -175.2 | 59 | 0 | 0 | 0 | 112.5 | Y684 D692 I694 L698 I699 Y700 F772 C794 F795 | Y684-L696 HydrophobicContact CE2-CB 4.07Å; D692-L696 VanDerWaalsContact O-CB 3.28Å; D692-L696 WeakPolarHBondContact O-CB 3.18Å; D692-L696 PolarHBondContact O-N 3.04Å; I694-L696 VanDerWaalsContact C-N 3.3Å; I694-L696 PolarHBondContact O-N 3.24Å; L696-L698 VanDerWaalsContact C-N 3.31Å; L696-L698 PolarHBondContact O-N 3.08Å; L696-I699 PolarHBondContact O-N 3.16Å; L696-Y700 WeakPolarHBondContact O-CB 3.32Å; L696-Y700 PolarHBondContact O-N 3.34Å; L696-F772 HydrophobicContact CB-CZ 4.28Å; L696-F772 HydrophobicContact CD2-CE2 3.46Å; L696-F772 VanDerWaalsContact CD2-CE2 3.46Å; L696-F772 HydrophobicContact CD2-CZ 3.75Å; L696-F772 HydrophobicContact CG-CE2 3.68Å; L696-F772 HydrophobicContact CG-CZ 3.92Å; L696-C794 HydrophobicContact CD2-CB 4.03Å; L696-F795 HydrophobicContact CD1-CB 3.99Å; L696-F795 HydrophobicContact CD1-CD2 3.77Å; L696-F795 HydrophobicContact CD1-CG 4.27Å; L696-F795 HydrophobicContact CD2-CB 3.91Å |
| 697 | K | 87.2 | Confident | 83.6 | Confident | 83 Ų | 83 | 37 Ų | 37 | 36% | 0.361 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.8 | -40.7 | 172 | -75 | 174.1 | -176.2 | 176.8 | 0 | 111.6 | L661 Q693 I694 I695 Y700 L701 F772 | L661-K697 HydrophobicContact CD1-CB 3.96Å; L661-K697 HydrophobicContact CD2-CB 4.17Å; L661-K697 HydrophobicContact CD2-CD 4.02Å; Q693-K697 WeakPolarHBondContact O-CG 3.35Å; Q693-K697 PolarHBondContact O-N 2.85Å; Q693-K697 VanDerWaalsContact O-N 3.12Å; I694-K697 WeakPolarHBondContact O-CB 3.47Å; I694-K697 PolarHBondContact O-N 3.06Å; I695-K697 PolarHBondContact O-N 2.86Å; K697-Y700 PolarHBondContact O-N 3.36Å; K697-L701 WeakPolarHBondContact O-CG 3.47Å; K697-L701 PolarHBondContact O-N 3.32Å; K697-F772 HydrophobicContact CD-CE1 4.14Å; K697-F772 HydrophobicContact CG-CD1 3.78Å; K697-F772 HydrophobicContact CG-CE1 3.35Å; K697-F772 HydrophobicContact CG-CZ 4.04Å |
| 698 | L | 87.3 | Confident | 82.6 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.9 | -44.4 | -179.5 | -159.1 | 147 | 0 | 0 | 0 | 110.9 | L660 L661 L680 I694 I695 L696 Y700 L701 M702 | L660-L698 HydrophobicContact CB-CD1 3.68Å; L661-L698 HydrophobicContact CB-CD1 4.19Å; L661-L698 HydrophobicContact CD1-CB 4.2Å; L680-L698 HydrophobicContact CD1-CD2 3.31Å; L680-L698 HydrophobicContact CD2-CD2 4.06Å; L680-L698 HydrophobicContact CG-CD2 4.33Å; I694-L698 PolarHBondContact O-N 2.97Å; I695-L698 WeakPolarHBondContact O-CB 3.37Å; I695-L698 PolarHBondContact O-N 3.02Å; I695-L698 VanDerWaalsContact O-N 3.08Å; L696-L698 VanDerWaalsContact C-N 3.31Å; L696-L698 PolarHBondContact O-N 3.08Å; L698-Y700 VanDerWaalsContact C-N 3.33Å; L698-Y700 PolarHBondContact O-N 3.31Å; L698-L701 PolarHBondContact O-N 3.44Å; L698-M702 HydrophobicContact CD2-CG 4.17Å; L698-M702 HydrophobicContact CD2-SD 3.56Å; L698-M702 VanDerWaalsContact CD2-SD 3.56Å; L698-M702 WeakPolarHBondContact O-CG 2.85Å; L698-M702 PolarHBondContact O-N 2.96Å |
| 699 | I | 87.6 | Confident | 81.9 | Confident | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.4 | -46.1 | 171.9 | -69.1 | 171.1 | 0 | 0 | 0 | 110.5 | V677 L680 L681 I695 L696 L701 M702 E703 L710 | V677-I699 HydrophobicContact CG1-CG2 4.42Å; L680-I699 HydrophobicContact CB-CD1 4.04Å; L680-I699 HydrophobicContact CB-CG1 3.89Å; L680-I699 HydrophobicContact CD1-CG1 3.67Å; L680-I699 HydrophobicContact CG-CG1 4.47Å; L681-I699 HydrophobicContact CD2-CD1 3.84Å; L681-I699 HydrophobicContact CG-CD1 4.37Å; I695-I699 HydrophobicContact CG2-CD1 3.73Å; I695-I699 HydrophobicContact CG2-CG1 4.23Å; I695-I699 WeakPolarHBondContact O-CG1 3.36Å; I695-I699 PolarHBondContact O-N 3.49Å; L696-I699 PolarHBondContact O-N 3.16Å; I699-L701 PolarHBondContact O-N 3.38Å; I699-M702 PolarHBondContact O-N 3.37Å; I699-E703 WeakPolarHBondContact O-CB 3.46Å; I699-E703 PolarHBondContact O-N 3.48Å; I699-L710 HydrophobicContact CG2-CD1 3.69Å; I699-L710 HydrophobicContact CG2-CD2 3.95Å; I699-L710 HydrophobicContact CG2-CG 4.16Å |
| 700 | Y | 85.6 | Confident | 81.2 | Confident | 98 Ų | 98 | 39 Ų | 39 | 38% | 0.384 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.6 | -43.9 | 177.8 | 174.2 | -99.7 | 0 | 0 | 0 | 112.6 | L696 K697 L698 K704 I774 | L696-Y700 WeakPolarHBondContact O-CB 3.32Å; L696-Y700 PolarHBondContact O-N 3.34Å; K697-Y700 PolarHBondContact O-N 3.36Å; L698-Y700 VanDerWaalsContact C-N 3.33Å; L698-Y700 PolarHBondContact O-N 3.31Å; Y700-K704 WeakPolarHBondContact O-CB 3.21Å; Y700-K704 PolarHBondContact O-N 3.25Å; Y700-I774 HydrophobicContact CE1-CD1 4.02Å; Y700-I774 HydrophobicContact CE1-CG1 3.92Å |
| 701 | L | 83 | Confident | 80.5 | Confident | 19 Ų | 19 | 40.5 Ų | 40.5 | 10% | 0.099 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.2 | -44.4 | 174.1 | -74.3 | 176 | 0 | 0 | 0 | 111.1 | L661 A664 K697 L698 I699 K704 F705 I774 | L661-L701 HydrophobicContact CD1-CD1 3.7Å; A664-L701 HydrophobicContact CB-CD1 4.32Å; K697-L701 WeakPolarHBondContact O-CG 3.47Å; K697-L701 PolarHBondContact O-N 3.32Å; L698-L701 PolarHBondContact O-N 3.44Å; I699-L701 PolarHBondContact O-N 3.38Å; L701-K704 PolarHBondContact O-N 3.34Å; L701-F705 HydrophobicContact CD2-CE2 4.46Å; L701-F705 WeakPolarHBondContact O-CD2 3.48Å; L701-F705 PolarHBondContact O-N 2.9Å; L701-I774 HydrophobicContact CD2-CD1 4.14Å |
| 702 | M | 82.3 | Confident | 79.6 | Confident | 6 Ų | 6 | 47 Ų | 47 | 3% | 0.03 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.9 | -47.2 | 178.5 | -73.6 | 178.7 | 69.3 | 0 | 0 | 112.2 | I675 V677 L680 L698 I699 K704 F705 S706 | I675-M702 WeakPolarHBondContact O-CE 3.39Å; V677-M702 HydrophobicContact CB-CE 4.36Å; V677-M702 HydrophobicContact CG2-CB 4.28Å; V677-M702 HydrophobicContact CG2-CE 3.38Å; V677-M702 HydrophobicContact CG2-SD 4.2Å; L680-M702 HydrophobicContact CD1-CE 4.46Å; L680-M702 HydrophobicContact CD1-SD 3.37Å; L680-M702 WeakPolarHBondContact CD1-SD 2.86Å; L698-M702 HydrophobicContact CD2-CG 4.17Å; L698-M702 HydrophobicContact CD2-SD 3.56Å; L698-M702 VanDerWaalsContact CD2-SD 3.56Å; L698-M702 WeakPolarHBondContact O-CG 2.85Å; L698-M702 PolarHBondContact O-N 2.96Å; I699-M702 PolarHBondContact O-N 3.37Å; M702-K704 VanDerWaalsContact C-N 3.29Å; M702-K704 PolarHBondContact O-N 3.14Å; M702-F705 PolarHBondContact O-N 2.88Å; M702-F705 VanDerWaalsContact O-N 3.16Å; M702-S706 PolarHBondContact O-N 2.65Å |
| 703 | E | 81.9 | Confident | 78.4 | Confident | 43 Ų | 43 | 47.9 Ų | 47.9 | 20% | 0.201 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.8 | -34.7 | 179.5 | -167.6 | 63.7 | -159.1 | 0 | 0 | 111.7 | I699 F705 S706 P707 G708 S709 L710 | I699-E703 WeakPolarHBondContact O-CB 3.46Å; I699-E703 PolarHBondContact O-N 3.48Å; E703-F705 VanDerWaalsContact C-N 3.31Å; E703-F705 PolarHBondContact O-N 3.04Å; E703-S706 CarbonylContact O-C 3.49Å; E703-P707 VanDerWaalsContact O-CA 3.28Å; E703-P707 WeakPolarHBondContact O-CA 3.36Å; E703-G708 WeakPolarHBondContact OE1-CA 3.32Å; E703-G708 PolarHBondContact OE1-N 3.33Å; E703-S709 PolarHBondContact OE2-N 3.38Å; E703-L710 HydrophobicContact CB-CD1 4.27Å; E703-L710 HydrophobicContact CG-CD1 4.08Å; E703-L710 PolarHBondContact OE2-N 3.04Å |
| 704 | K | 81 | Confident | 77.7 | Confident | 123 Ų | 123 | 49.4 Ų | 49.4 | 54% | 0.535 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.1 | -35.3 | 174.3 | -177.2 | -179.9 | 176.6 | -175.3 | 0 | 112.9 | Y700 L701 M702 I774 | Y700-K704 WeakPolarHBondContact O-CB 3.21Å; Y700-K704 PolarHBondContact O-N 3.25Å; L701-K704 PolarHBondContact O-N 3.34Å; M702-K704 VanDerWaalsContact C-N 3.29Å; M702-K704 PolarHBondContact O-N 3.14Å; K704-I774 HydrophobicContact CD-CD1 4.25Å |
| 705 | F | 78.6 | Confident | 77.6 | Confident | 91 Ų | 91 | 48.7 Ų | 48.7 | 40% | 0.399 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -99.7 | -17.9 | -177.5 | -69.8 | -73.5 | 0 | 0 | 0 | 114.4 | P668 Y672 L701 M702 E703 | P668-F705 HydrophobicContact CB-CB 4.38Å; P668-F705 HydrophobicContact CB-CD1 4.48Å; P668-F705 HydrophobicContact CB-CD2 3.29Å; P668-F705 HydrophobicContact CB-CE2 3.61Å; P668-F705 HydrophobicContact CB-CG 3.82Å; P668-F705 HydrophobicContact CB-CZ 4.3Å; P668-F705 HydrophobicContact CG-CD1 4Å; P668-F705 HydrophobicContact CG-CD2 3.51Å; P668-F705 HydrophobicContact CG-CE1 3.87Å; P668-F705 HydrophobicContact CG-CE2 3.41Å; P668-F705 VanDerWaalsContact CG-CE2 3.41Å; P668-F705 HydrophobicContact CG-CG 3.83Å; P668-F705 HydrophobicContact CG-CZ 3.6Å; Y672-F705 HydrophobicContact CD1-CB 4.14Å; Y672-F705 HydrophobicContact CE1-CB 3.82Å; L701-F705 HydrophobicContact CD2-CE2 4.46Å; L701-F705 WeakPolarHBondContact O-CD2 3.48Å; L701-F705 PolarHBondContact O-N 2.9Å; M702-F705 PolarHBondContact O-N 2.88Å; M702-F705 VanDerWaalsContact O-N 3.16Å; E703-F705 VanDerWaalsContact C-N 3.31Å; E703-F705 PolarHBondContact O-N 3.04Å |
| 706 | S | 74.9 | Confident | 77.4 | Confident | 36 Ų | 36 | 49.5 Ų | 49.5 | 25% | 0.252 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -135.9 | 72.1 | 177 | -173.4 | 0 | 0 | 0 | 0 | 108.8 | M702 E703 S709 | M702-S706 PolarHBondContact O-N 2.65Å; E703-S706 CarbonylContact O-C 3.49Å; S706-S709 WeakPolarHBondContact CB-OG 3.25Å; S706-S709 PolarHBondContact O-N 3.49Å; S706-S709 PolarHBondContact O-OG 3.19Å; S706-S709 PolarHBondContact OG-OG 2.95Å |
| 707 | P | 70.5 | Confident | 77.3 | Confident | 106 Ų | 106 | 49 Ų | 49 | 69% | 0.688 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 139.8 | -176.3 | 25.4 | -33.6 | 0 | 0 | 0 | 111.1 | E703 | E703-P707 VanDerWaalsContact O-CA 3.28Å; E703-P707 WeakPolarHBondContact O-CA 3.36Å |
| 708 | G | 68.4 | Low | 77.4 | Confident | 27 Ų | 27 | 45.3 Ų | 45.3 | 28% | 0.278 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92.8 | 1.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | E703 T711 Q712 | E703-G708 WeakPolarHBondContact OE1-CA 3.32Å; E703-G708 PolarHBondContact OE1-N 3.33Å; G708-T711 WeakPolarHBondContact CA-OG1 3.4Å; G708-T711 PolarHBondContact O-N 3.16Å; G708-T711 PolarHBondContact O-OG1 2.88Å; G708-Q712 WeakPolarHBondContact O-CG 3.47Å; G708-Q712 PolarHBondContact O-N 3.39Å |
| 709 | S | 69.7 | Low | 77.4 | Confident | 23 Ų | 23 | 45.5 Ų | 45.5 | 16% | 0.161 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -68.7 | -38.4 | -178.6 | -57.6 | 0 | 0 | 0 | 0 | 111.7 | E703 S706 | E703-S709 PolarHBondContact OE2-N 3.38Å; S706-S709 WeakPolarHBondContact CB-OG 3.25Å; S706-S709 PolarHBondContact O-N 3.49Å; S706-S709 PolarHBondContact O-OG 3.19Å; S706-S709 PolarHBondContact OG-OG 2.95Å |
| 710 | L | 67.5 | Low | 76.9 | Confident | 33 Ų | 33 | 48.5 Ų | 48.5 | 17% | 0.173 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -29.5 | 172.9 | -76.1 | 168.3 | 0 | 0 | 0 | 113.4 | V677 L681 I699 E703 | V677-L710 HydrophobicContact CG1-CD2 3.44Å; V677-L710 VanDerWaalsContact CG1-CD2 3.44Å; V677-L710 HydrophobicContact CG1-CG 4Å; L681-L710 HydrophobicContact CD1-CD2 3.83Å; L681-L710 HydrophobicContact CD2-CD2 4.4Å; L681-L710 HydrophobicContact CG-CD2 4.41Å; I699-L710 HydrophobicContact CG2-CD1 3.69Å; I699-L710 HydrophobicContact CG2-CD2 3.95Å; I699-L710 HydrophobicContact CG2-CG 4.16Å; E703-L710 HydrophobicContact CB-CD1 4.27Å; E703-L710 HydrophobicContact CG-CD1 4.08Å; E703-L710 PolarHBondContact OE2-N 3.04Å |
| 711 | T | 62.1 | Low | 76.8 | Confident | 65 Ų | 65 | 44.6 Ų | 44.6 | 40% | 0.399 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 11.1 | -173.5 | 62.8 | 0 | 0 | 0 | 0 | 113.4 | G708 S713 Y802 | G708-T711 WeakPolarHBondContact CA-OG1 3.4Å; G708-T711 PolarHBondContact O-N 3.16Å; G708-T711 PolarHBondContact O-OG1 2.88Å; T711-S713 CarbonylContact C-O 3.59Å; T711-S713 PolarHBondContact O-N 3.48Å; T711-Y802 HydrophobicContact CG2-CE2 4.26Å |
| 712 | Q | 64.1 | Low | 76.6 | Confident | 147 Ų | 147 | 43.8 Ų | 43.8 | 69% | 0.687 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -60.3 | -34.3 | 173.9 | -64.6 | -173.1 | -10.1 | 0 | 0 | 111.2 | G708 | G708-Q712 WeakPolarHBondContact O-CG 3.47Å; G708-Q712 PolarHBondContact O-N 3.39Å |
| 713 | S | 63.5 | Low | 76.5 | Confident | 18 Ų | 18 | 46.9 Ų | 46.9 | 13% | 0.126 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -90.8 | 133.9 | 162.8 | 52.2 | 0 | 0 | 0 | 0 | 110.2 | T711 Y715 Y726 | T711-S713 CarbonylContact C-O 3.59Å; T711-S713 PolarHBondContact O-N 3.48Å; S713-Y715 PolarHBondContact O-N 3.21Å; S713-Y715 PolarHBondContact OG-O 3.02Å; S713-Y726 WeakPolarHBondContact CB-OH 3.43Å |
| 714 | R | 70.9 | Confident | 76.4 | Confident | 83 Ų | 83 | 51.6 Ų | 51.6 | 31% | 0.313 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -54 | -27 | 176.1 | -169.7 | 174.1 | -169.4 | 165 | 4.6 | 113.6 | Y802 E809 D810 Q813 | R714-Y802 VanDerWaalsContact O-CE1 3.25Å; R714-Y802 WeakPolarHBondContact O-CE1 3.29Å; R714-Y802 PolarHBondContact O-OH 3.09Å; R714-E809 VanDerWaalsContact NH2-CB 3.28Å; R714-E809 IonicContact NH2-OE2 2.77Å; R714-E809 PolarHBondContact NH2-OE2 3.17Å; R714-D810 IonicContact CZ-OD1 3.6Å; R714-D810 IonicContact NE-OD1 3.48Å; R714-D810 PolarHBondContact NE-OD1 3.07Å; R714-D810 IonicContact NH1-OD1 3.69Å; R714-D810 PolarHBondContact NH1-OD1 3.48Å; R714-D810 IonicContact NH2-OD1 3.72Å; R714-D810 PolarHBondContact NH2-OD1 3.23Å; R714-Q813 VanDerWaalsContact NH1-OE1 3.15Å |
| 715 | Y | 83.6 | Confident | 76.3 | Confident | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -129.9 | 130.7 | -179.5 | -69.7 | -67.2 | 0 | 0 | 0 | 110.8 | S713 P744 V746 Y803 C806 D810 | S713-Y715 PolarHBondContact O-N 3.21Å; S713-Y715 PolarHBondContact OG-O 3.02Å; Y715-P744 WeakPolarHBondContact CD2-O 3.26Å; Y715-V746 HydrophobicContact CE1-CB 3.92Å; Y715-V746 HydrophobicContact CE1-CG2 3.8Å; Y715-V746 HydrophobicContact CE2-CB 4.29Å; Y715-Y803 AromaticContact CD1-CD1 3.53Å; Y715-Y803 HydrophobicContact CD1-CD1 3.53Å; Y715-Y803 AromaticContact CD1-CE1 3.3Å; Y715-Y803 HydrophobicContact CD1-CE1 3.3Å; Y715-Y803 HydrophobicContact CD1-CG 4.28Å; Y715-Y803 AromaticContact CD1-CZ 3.92Å; Y715-Y803 AromaticContact CE1-CD1 3.88Å; Y715-Y803 HydrophobicContact CE1-CD1 3.88Å; Y715-Y803 HydrophobicContact CE1-CE1 4.06Å; Y715-Y803 AromaticContact CG-CE1 3.94Å; Y715-Y803 HydrophobicContact CG-CE1 3.94Å; Y715-C806 HydrophobicContact CE1-CB 3.95Å; Y715-D810 PolarHBondContact OH-OD2 3.16Å |
| 716 | I | 86 | Confident | 76.4 | Confident | 17 Ų | 17 | 43.3 Ų | 43.3 | 9% | 0.087 | 24% | 0.244 | C | C | . | . | trans | -82 | 126 | -175.6 | -57.2 | 170.7 | 0 | 0 | 0 | 109.9 | W718 F795 Y802 Y803 | I716-W718 HydrophobicContact CG2-CE3 4.38Å; I716-F795 HydrophobicContact CG2-CZ 4.36Å; I716-Y802 HydrophobicContact CD1-CD1 3.83Å; I716-Y802 HydrophobicContact CD1-CE1 4.1Å; I716-Y802 HydrophobicContact CD1-CG 4.31Å; I716-Y802 HydrophobicContact CG1-CD1 4.04Å; I716-Y802 HydrophobicContact CG1-CE1 3.96Å; I716-Y803 PolarHBondContact O-OH 2.8Å | ||
| 717 | V | 87.6 | Confident | 76.5 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.018 | 26% | 0.258 | C | S | . | . | trans | -121.9 | 147.9 | 175.4 | -178.8 | 0 | 0 | 0 | 0 | 108.9 | T721 L722 P744 V752 | V717-T721 HydrophobicContact CG1-CG2 3.97Å; V717-L722 HydrophobicContact CB-CD1 3.88Å; V717-L722 HydrophobicContact CG1-CB 4.49Å; V717-L722 HydrophobicContact CG1-CD1 4.04Å; V717-L722 WeakPolarHBondContact O-CD1 3.31Å; V717-P744 HydrophobicContact CG2-CB 3.6Å; V717-P744 HydrophobicContact CG2-CG 3.74Å; V717-V752 HydrophobicContact CG1-CG2 3.95Å | ||
| 718 | W | 90.1 | Very high | 76.6 | Confident | 5 Ų | 5 | 43.6 Ų | 43.6 | 2% | 0.019 | 23% | 0.231 | C | C | . | . | trans | -145.9 | 176.1 | 178.4 | 65.9 | 93.1 | 0 | 0 | 0 | 111.7 | L681 Y684 A686 I716 L749 V752 L753 F795 I796 V799 | L681-W718 HydrophobicContact CB-CB 4.36Å; L681-W718 HydrophobicContact CD2-CB 4.06Å; L681-W718 CarbonylContact O-C 3.56Å; Y684-W718 HydrophobicContact CD1-CB 4.28Å; Y684-W718 HydrophobicContact CD1-CG 4.36Å; A686-W718 HydrophobicContact CB-CZ2 4.46Å; I716-W718 HydrophobicContact CG2-CE3 4.38Å; W718-L749 HydrophobicContact CH2-CD1 4.19Å; W718-V752 HydrophobicContact CD2-CG1 3.59Å; W718-V752 HydrophobicContact CE3-CG1 4.05Å; W718-V752 HydrophobicContact CG-CG1 4.07Å; W718-V752 HydrophobicContact CH2-CB 4.39Å; W718-V752 HydrophobicContact CH2-CG1 3.94Å; W718-V752 HydrophobicContact CZ2-CB 4.31Å; W718-V752 HydrophobicContact CZ2-CG1 3.49Å; W718-V752 VanDerWaalsContact CZ2-CG1 3.49Å; W718-V752 HydrophobicContact CZ3-CG1 4.2Å; W718-L753 HydrophobicContact CH2-CD2 4.2Å; W718-L753 HydrophobicContact CH2-CG 4.44Å; W718-L753 HydrophobicContact CZ2-CD2 3.84Å; W718-L753 HydrophobicContact CZ2-CG 4.42Å; W718-F795 AromaticContact CD2-CE1 3.6Å; W718-F795 HydrophobicContact CD2-CE1 3.6Å; W718-F795 AromaticContact CD2-CZ 3.96Å; W718-F795 HydrophobicContact CD2-CZ 3.96Å; W718-F795 AromaticContact CE2-CE1 3.77Å; W718-F795 AromaticContact CE3-CE1 3.72Å; W718-F795 HydrophobicContact CE3-CE1 3.72Å; W718-F795 AromaticContact CE3-CZ 3.81Å; W718-F795 HydrophobicContact CE3-CZ 3.81Å; W718-F795 HydrophobicContact CG-CE1 4.14Å; W718-F795 HydrophobicContact CG-CZ 4.35Å; W718-F795 HydrophobicContact CH2-CE1 4.21Å; W718-F795 HydrophobicContact CZ2-CE1 4.07Å; W718-F795 HydrophobicContact CZ3-CE1 4.04Å; W718-F795 HydrophobicContact CZ3-CZ 4.34Å; W718-I796 HydrophobicContact CH2-CD1 4.3Å; W718-I796 HydrophobicContact CZ2-CD1 3.77Å; W718-V799 HydrophobicContact CH2-CB 4.48Å; W718-V799 HydrophobicContact CH2-CG1 3.75Å; W718-V799 HydrophobicContact CH2-CG2 4.42Å; W718-V799 HydrophobicContact CZ3-CB 4.43Å; W718-V799 HydrophobicContact CZ3-CG1 3.62Å; W718-V799 HydrophobicContact CZ3-CG2 4.09Å | ||
| 719 | G | 86.3 | Confident | 76.4 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 5% | 0.052 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | 63.9 | -157.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113 | L681 S682 Y684 T721 L722 | L681-G719 PolarHBondContact O-N 3.15Å; S682-G719 CarbonylContact O-C 3.6Å; Y684-G719 VanDerWaalsContact O-CA 3.29Å; Y684-G719 WeakPolarHBondContact O-CA 3.36Å; Y684-G719 PolarHBondContact O-N 3.31Å; Y684-G719 VanDerWaalsContact O-N 3.11Å; G719-T721 PolarHBondContact O-N 2.94Å; G719-T721 VanDerWaalsContact O-N 3.16Å; G719-L722 VanDerWaalsContact O-CB 3.24Å; G719-L722 WeakPolarHBondContact O-CB 3.32Å; G719-L722 PolarHBondContact O-N 3.07Å |
| 720 | S | 78.3 | Confident | 75.9 | Confident | 67 Ų | 67 | 47.6 Ų | 47.6 | 47% | 0.469 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -59.9 | -25.2 | 179.8 | 59.3 | 0 | 0 | 0 | 0 | 113.7 | L722 C723 | S720-L722 PolarHBondContact O-N 3.48Å; S720-C723 PolarHBondContact O-N 3.32Å |
| 721 | T | 82.1 | Confident | 75.2 | Confident | 16 Ų | 16 | 54 Ų | 54 | 10% | 0.098 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -64 | -23.7 | 177.5 | -57.6 | 0 | 0 | 0 | 0 | 112.2 | V717 G719 C723 K724 V752 | V717-T721 HydrophobicContact CG1-CG2 3.97Å; G719-T721 PolarHBondContact O-N 2.94Å; G719-T721 VanDerWaalsContact O-N 3.16Å; T721-C723 PolarHBondContact O-N 2.87Å; T721-K724 HydrophobicContact CG2-CD 4.35Å; T721-K724 WeakPolarHBondContact O-CB 3.38Å; T721-K724 PolarHBondContact O-N 3.43Å; T721-V752 HydrophobicContact CG2-CG2 3.77Å |
| 722 | L | 80.4 | Confident | 74.6 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -59.9 | -34 | 178.7 | -163 | 65.8 | 0 | 0 | 0 | 112.3 | L678 L681 V717 G719 S720 K724 H725 Y726 F728 | L678-L722 HydrophobicContact CB-CD2 4.38Å; L678-L722 HydrophobicContact CD2-CD1 4.1Å; L678-L722 HydrophobicContact CD2-CD2 4.19Å; L678-L722 WeakPolarHBondContact O-CD2 3.17Å; L681-L722 HydrophobicContact CB-CD2 3.84Å; V717-L722 HydrophobicContact CB-CD1 3.88Å; V717-L722 HydrophobicContact CG1-CB 4.49Å; V717-L722 HydrophobicContact CG1-CD1 4.04Å; V717-L722 WeakPolarHBondContact O-CD1 3.31Å; G719-L722 VanDerWaalsContact O-CB 3.24Å; G719-L722 WeakPolarHBondContact O-CB 3.32Å; G719-L722 PolarHBondContact O-N 3.07Å; S720-L722 PolarHBondContact O-N 3.48Å; L722-K724 PolarHBondContact O-N 2.97Å; L722-K724 VanDerWaalsContact O-N 3.15Å; L722-H725 PolarHBondContact O-N 2.89Å; L722-Y726 HydrophobicContact CD1-CD2 3.54Å; L722-Y726 HydrophobicContact CD1-CE2 3.72Å; L722-Y726 HydrophobicContact CG-CD2 3.88Å; L722-Y726 PolarHBondContact O-N 3.13Å; L722-F728 HydrophobicContact CD2-CZ 3.79Å; L722-F728 HydrophobicContact CG-CZ 4.11Å |
| 723 | C | 78.9 | Confident | 73.9 | Confident | 71 Ų | 71 | 53.4 Ų | 53.4 | 48% | 0.48 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -65.6 | -14.3 | 177.7 | -61.5 | 0 | 0 | 0 | 0 | 113.9 | S720 T721 H725 Y726 | S720-C723 PolarHBondContact O-N 3.32Å; T721-C723 PolarHBondContact O-N 2.87Å; C723-H725 VanDerWaalsContact C-N 3.33Å; C723-Y726 WeakPolarHBondContact CA-O 3.41Å |
| 724 | K | 79.9 | Confident | 73.2 | Confident | 143 Ų | 143 | 57.8 Ų | 57.8 | 62% | 0.622 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -78.3 | -20.9 | 172.6 | -60.9 | -178.8 | -177.7 | 170.2 | 0 | 112.6 | T721 L722 | T721-K724 HydrophobicContact CG2-CD 4.35Å; T721-K724 WeakPolarHBondContact O-CB 3.38Å; T721-K724 PolarHBondContact O-N 3.43Å; L722-K724 PolarHBondContact O-N 2.97Å; L722-K724 VanDerWaalsContact O-N 3.15Å |
| 725 | H | 78.8 | Confident | 72.4 | Confident | 22 Ų | 22 | 56.6 Ų | 56.6 | 10% | 0.102 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -27.2 | -176.6 | -67.5 | -78.2 | 0 | 0 | 0 | 112.4 | L722 C723 L741 H742 P744 | L722-H725 PolarHBondContact O-N 2.89Å; C723-H725 VanDerWaalsContact C-N 3.33Å; H725-L741 PolarHBondContact O-N 3.43Å; H725-H742 PolarHBondContact ND1-O 3.37Å; H725-H742 PolarHBondContact O-N 3.22Å; H725-P744 HydrophobicContact CB-CG 4.39Å |
| 726 | Y | 80.6 | Confident | 71.2 | Confident | 18 Ų | 18 | 60.4 Ų | 60.4 | 7% | 0.071 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 137.9 | -175.1 | -63.5 | -88.5 | 0 | 0 | 0 | 111.5 | L678 S713 L722 C723 P738 T739 L740 | L678-Y726 HydrophobicContact CD1-CD1 3.76Å; L678-Y726 HydrophobicContact CD1-CE1 3.63Å; L678-Y726 HydrophobicContact CD1-CG 4.34Å; L678-Y726 HydrophobicContact CD2-CD2 4.39Å; L678-Y726 HydrophobicContact CD2-CE1 4.37Å; L678-Y726 HydrophobicContact CD2-CE2 4.06Å; S713-Y726 WeakPolarHBondContact CB-OH 3.43Å; L722-Y726 HydrophobicContact CD1-CD2 3.54Å; L722-Y726 HydrophobicContact CD1-CE2 3.72Å; L722-Y726 HydrophobicContact CG-CD2 3.88Å; L722-Y726 PolarHBondContact O-N 3.13Å; C723-Y726 WeakPolarHBondContact CA-O 3.41Å; Y726-P738 HydrophobicContact CD1-CB 4.21Å; Y726-T739 WeakPolarHBondContact CA-O 3.29Å; Y726-L740 HydrophobicContact CD1-CB 4.28Å; Y726-L740 HydrophobicContact CD1-CD1 4.15Å; Y726-L740 HydrophobicContact CE1-CB 4Å; Y726-L740 HydrophobicContact CE1-CD1 3.56Å; Y726-L740 HydrophobicContact CE1-CG 4.37Å; Y726-L740 HydrophobicContact CE2-CD1 4.21Å |
| 727 | Q | 77.4 | Confident | 70.3 | Confident | 117 Ų | 117 | 66 Ų | 66 | 55% | 0.547 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 128.4 | 170.1 | -170.2 | 173.7 | 0.4 | 0 | 0 | 110.1 | P738 T739 L741 | Q727-P738 WeakPolarHBondContact O-CA 3.3Å; Q727-T739 PolarHBondContact N-O 3.22Å; Q727-T739 PolarHBondContact O-N 3.36Å; Q727-L741 HydrophobicContact CB-CD1 4.19Å; Q727-L741 HydrophobicContact CB-CD2 4.24Å; Q727-L741 HydrophobicContact CB-CG 4.26Å |
| 728 | F | 72.6 | Confident | 69.6 | Low | 31 Ų | 31 | 66.7 Ų | 66.7 | 14% | 0.136 | 35% | 0.348 | C | S | . | . | trans | -104.5 | 120.1 | 175.4 | -59.6 | -88.7 | 0 | 0 | 0 | 109 | F629 L678 W679 L722 S730 P738 | F629-F728 HydrophobicContact CD2-CB 4.5Å; F629-F728 HydrophobicContact CE1-CB 4.21Å; F629-F728 AromaticContact CE1-CD1 3.82Å; F629-F728 HydrophobicContact CE1-CD1 3.82Å; F629-F728 HydrophobicContact CE1-CD2 4.23Å; F629-F728 HydrophobicContact CE1-CE1 4.23Å; F629-F728 AromaticContact CE1-CG 3.82Å; F629-F728 HydrophobicContact CE1-CG 3.82Å; F629-F728 HydrophobicContact CE2-CB 3.89Å; F629-F728 HydrophobicContact CE2-CD1 4.19Å; F629-F728 HydrophobicContact CE2-CG 4.25Å; F629-F728 HydrophobicContact CZ-CB 3.75Å; F629-F728 AromaticContact CZ-CD1 3.33Å; F629-F728 HydrophobicContact CZ-CD1 3.33Å; F629-F728 HydrophobicContact CZ-CD2 4.43Å; F629-F728 HydrophobicContact CZ-CE1 4.01Å; F629-F728 AromaticContact CZ-CG 3.58Å; F629-F728 HydrophobicContact CZ-CG 3.58Å; L678-F728 HydrophobicContact CB-CE1 4.39Å; W679-F728 AromaticContact CD1-CD1 3.75Å; W679-F728 AromaticContact CD1-CE1 3.72Å; W679-F728 AromaticContact NE1-CD1 3.91Å; L722-F728 HydrophobicContact CD2-CZ 3.79Å; L722-F728 HydrophobicContact CG-CZ 4.11Å; F728-S730 PolarHBondContact O-N 2.88Å; F728-P738 HydrophobicContact CD1-CB 4.05Å; F728-P738 HydrophobicContact CD1-CG 3.75Å; F728-P738 HydrophobicContact CE1-CB 3.93Å; F728-P738 HydrophobicContact CE1-CG 3.58Å | ||
| 729 | D | 64.4 | Low | 68.9 | Low | 73 Ų | 73 | 70.7 Ų | 70.7 | 39% | 0.39 | 37% | 0.373 | S | S | . | . | trans | -79.4 | 116.4 | 177.6 | -163.2 | 1.7 | 0 | 0 | 0 | 109.5 | Q731 | D729-Q731 PolarHBondContact OD1-N 3.37Š| ||
| 730 | S | 59.2 | Low | 68.6 | Low | 61 Ų | 61 | 74.1 Ų | 74.1 | 43% | 0.427 | 39% | 0.39 | S | S | . | . | trans | -94.6 | -19.5 | -178 | 58.7 | 0 | 0 | 0 | 0 | 112.9 | F728 | F728-S730 PolarHBondContact O-N 2.88Š| ||
| 731 | Q | 53.6 | Low | 68.7 | Low | 168 Ų | 168 | 74.9 Ų | 74.9 | 79% | 0.785 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -88.6 | -18.4 | -163.7 | -66.2 | -172.6 | -7.5 | 0 | 0 | 113.7 | D729 | D729-Q731 PolarHBondContact OD1-N 3.37Š|
| 732 | N | 48.7 | Very low | 68.6 | Low | 81 Ų | 81 | 80.2 Ų | 80.2 | 43% | 0.433 | 41% | 0.412 | S | S | . | . | trans | -115.6 | 131.2 | -177.9 | -68.8 | -45.9 | 0 | 0 | 0 | 111.4 | I734 | N732-I734 HydrophobicContact CB-CB 4.35Å; N732-I734 HydrophobicContact CB-CG1 4.4Å; N732-I734 PolarHBondContact O-N 2.87Å | ||
| 733 | N | 48.2 | Very low | 68.6 | Low | 117 Ų | 117 | 87.8 Ų | 87.8 | 63% | 0.626 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -62.3 | 2.5 | 168.3 | -84.5 | -22.2 | 0 | 0 | 0 | 113.5 | L735 | N733-L735 PolarHBondContact O-N 2.75Š|
| 734 | I | 50.3 | Low | 68.7 | Low | 111 Ų | 111 | 85 Ų | 85 | 57% | 0.569 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -83 | 105.8 | 174.3 | -52.2 | 175.3 | 0 | 0 | 0 | 106 | N732 N736 | N732-I734 HydrophobicContact CB-CB 4.35Å; N732-I734 HydrophobicContact CB-CG1 4.4Å; N732-I734 PolarHBondContact O-N 2.87Å; I734-N736 WeakPolarHBondContact CG2-OD1 3.34Å; I734-N736 PolarHBondContact O-N 2.9Å |
| 735 | L | 52.9 | Low | 68.7 | Low | 57 Ų | 57 | 82.3 Ų | 82.3 | 30% | 0.298 | 42% | 0.421 | S | S | . | . | trans | -64.4 | 77.6 | 176.5 | -64.6 | 111.6 | 0 | 0 | 0 | 110.1 | L619 H674 W679 N733 | L619-L735 HydrophobicContact CD1-CD1 4.24Å; L619-L735 HydrophobicContact CD2-CD1 4.15Å; L619-L735 HydrophobicContact CD2-CD2 4.17Å; H674-L735 WeakPolarHBondContact O-CD2 3.4Å; W679-L735 HydrophobicContact CE3-CD2 4.49Å; W679-L735 HydrophobicContact CH2-CB 4.08Å; W679-L735 HydrophobicContact CH2-CD2 3.25Å; W679-L735 HydrophobicContact CH2-CG 3.79Å; W679-L735 HydrophobicContact CZ2-CD2 4.31Å; W679-L735 HydrophobicContact CZ3-CD2 3.36Å; W679-L735 HydrophobicContact CZ3-CG 4.37Å; N733-L735 PolarHBondContact O-N 2.75Å | ||
| 736 | N | 59.3 | Low | 68.8 | Low | 84 Ų | 84 | 82.2 Ų | 82.2 | 45% | 0.449 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 144.8 | 175.2 | -75 | -23.3 | 0 | 0 | 0 | 110 | I734 | I734-N736 WeakPolarHBondContact CG2-OD1 3.34Å; I734-N736 PolarHBondContact O-N 2.9Å |
| 737 | H | 67.2 | Low | 68.9 | Low | 136 Ų | 136 | 84.9 Ų | 84.9 | 63% | 0.63 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 135.4 | 170.2 | -86.2 | -81.9 | 0 | 0 | 0 | 109.7 | T739 | H737-T739 PolarHBondContact O-N 3.29Š|
| 738 | P | 72.6 | Confident | 69.2 | Low | 16 Ų | 16 | 79.5 Ų | 79.5 | 10% | 0.104 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -55.7 | 132.7 | 177.8 | -25.5 | 34.8 | 0 | 0 | 0 | 111.3 | L678 Y726 Q727 F728 | L678-P738 HydrophobicContact CB-CG 3.96Å; L678-P738 HydrophobicContact CD1-CB 4.05Å; L678-P738 HydrophobicContact CD1-CG 4.01Å; Y726-P738 HydrophobicContact CD1-CB 4.21Å; Q727-P738 WeakPolarHBondContact O-CA 3.3Å; F728-P738 HydrophobicContact CD1-CB 4.05Å; F728-P738 HydrophobicContact CD1-CG 3.75Å; F728-P738 HydrophobicContact CE1-CB 3.93Å; F728-P738 HydrophobicContact CE1-CG 3.58Å |
| 739 | T | 75.4 | Confident | 69.9 | Low | 89 Ų | 89 | 78 Ų | 78 | 55% | 0.546 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 127 | -179.8 | -50.3 | 0 | 0 | 0 | 0 | 109.6 | Y726 Q727 H737 L741 | Y726-T739 WeakPolarHBondContact CA-O 3.29Å; Q727-T739 PolarHBondContact N-O 3.22Å; Q727-T739 PolarHBondContact O-N 3.36Å; H737-T739 PolarHBondContact O-N 3.29Å; T739-L741 PolarHBondContact O-N 3.26Å |
| 740 | L | 79.7 | Confident | 71 | Confident | 78 Ų | 78 | 75 Ų | 75 | 41% | 0.408 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 117.4 | 175.6 | 178.2 | 69.8 | 0 | 0 | 0 | 109.8 | Y726 H742 Q743 | Y726-L740 HydrophobicContact CD1-CB 4.28Å; Y726-L740 HydrophobicContact CD1-CD1 4.15Å; Y726-L740 HydrophobicContact CE1-CB 4Å; Y726-L740 HydrophobicContact CE1-CD1 3.56Å; Y726-L740 HydrophobicContact CE1-CG 4.37Å; Y726-L740 HydrophobicContact CE2-CD1 4.21Å; L740-H742 WeakPolarHBondContact CD1-O 3.28Å; L740-Q743 HydrophobicContact CD2-CG 3.84Å |
| 741 | L | 80.6 | Confident | 72.2 | Confident | 83 Ų | 83 | 77.7 Ų | 77.7 | 44% | 0.435 | 40% | 0.399 | S | S | . | . | trans | -86.3 | -49.2 | 174.3 | -59.3 | 175 | 0 | 0 | 0 | 110.8 | H725 Q727 T739 | H725-L741 PolarHBondContact O-N 3.43Å; Q727-L741 HydrophobicContact CB-CD1 4.19Å; Q727-L741 HydrophobicContact CB-CD2 4.24Å; Q727-L741 HydrophobicContact CB-CG 4.26Å; T739-L741 PolarHBondContact O-N 3.26Å | ||
| 742 | H | 79.6 | Confident | 73.7 | Confident | 127 Ų | 127 | 70.6 Ų | 70.6 | 59% | 0.588 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -141.5 | 127.9 | -174.7 | -60.2 | -53.9 | 0 | 0 | 0 | 111.1 | H725 L740 P744 | H725-H742 PolarHBondContact ND1-O 3.37Å; H725-H742 PolarHBondContact O-N 3.22Å; L740-H742 WeakPolarHBondContact CD1-O 3.28Å; H742-P744 WeakPolarHBondContact O-CD 3.49Å |
| 743 | Q | 80.4 | Confident | 75.6 | Confident | 161 Ų | 161 | 67 Ų | 67 | 75% | 0.752 | 35% | 0.347 | S | S | * | . | trans | -62.6 | 126.3 | 174.6 | -78.8 | -169.6 | -1.5 | 0 | 0 | 110.7 | L740 | L740-Q743 HydrophobicContact CD2-CG 3.84Š| ||
| 744 | P | 80.9 | Confident | 77.5 | Confident | 12 Ų | 12 | 64.6 Ų | 64.6 | 8% | 0.078 | 34% | 0.335 | C | S | . | . | trans | -62 | 146 | 172 | -15.5 | 27.9 | 0 | 0 | 0 | 110.3 | Y715 V717 H725 H742 T748 | Y715-P744 WeakPolarHBondContact CD2-O 3.26Å; V717-P744 HydrophobicContact CG2-CB 3.6Å; V717-P744 HydrophobicContact CG2-CG 3.74Å; H725-P744 HydrophobicContact CB-CG 4.39Å; H742-P744 WeakPolarHBondContact O-CD 3.49Å; P744-T748 HydrophobicContact CB-CG2 3.95Å | ||
| 745 | N | 80.7 | Confident | 79.3 | Confident | 87 Ų | 87 | 62 Ų | 62 | 47% | 0.465 | 32% | 0.322 | S | S | . | . | trans | -112.7 | 171.4 | 177.2 | 65.5 | 30.9 | 0 | 0 | 0 | 110.4 | N747 T748 | N745-N747 PolarHBondContact O-N 2.89Å; N745-N747 WeakPolarHBondContact OD1-CA 3.24Å; N745-N747 WeakPolarHBondContact OD1-CB 3.34Å; N745-N747 PolarHBondContact OD1-N 3.01Å; N745-T748 WeakPolarHBondContact O-CB 3.29Å; N745-T748 PolarHBondContact O-N 3.38Å; N745-T748 PolarHBondContact O-OG1 2.92Å; N745-T748 PolarHBondContact OD1-N 3.49Å | ||
| 746 | V | 79.5 | Confident | 80.9 | Confident | 20 Ų | 20 | 63.5 Ų | 63.5 | 12% | 0.121 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -28.3 | -178 | 77.8 | 0 | 0 | 0 | 0 | 113.9 | Y715 T748 Y803 F807 F824 | Y715-V746 HydrophobicContact CE1-CB 3.92Å; Y715-V746 HydrophobicContact CE1-CG2 3.8Å; Y715-V746 HydrophobicContact CE2-CB 4.29Å; V746-T748 VanDerWaalsContact C-N 3.32Å; V746-T748 PolarHBondContact O-N 3.2Å; V746-Y803 HydrophobicContact CG2-CD1 4.14Å; V746-F807 HydrophobicContact CG2-CB 4.36Å; V746-F807 HydrophobicContact CG2-CD2 4.29Å; V746-F824 HydrophobicContact CB-CD2 4.5Å; V746-F824 HydrophobicContact CG1-CD2 4.21Å; V746-F824 HydrophobicContact CG2-CD2 3.56Å; V746-F824 HydrophobicContact CG2-CE2 3.4Å; V746-F824 HydrophobicContact CG2-CG 4.43Å; V746-F824 HydrophobicContact CG2-CZ 4.14Å |
| 747 | N | 82.8 | Confident | 82.4 | Confident | 73 Ų | 73 | 61.7 Ų | 61.7 | 39% | 0.39 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -12.7 | -179.3 | -67.4 | -28.4 | 0 | 0 | 0 | 113.1 | N745 L749 F750 | N745-N747 PolarHBondContact O-N 2.89Å; N745-N747 WeakPolarHBondContact OD1-CA 3.24Å; N745-N747 WeakPolarHBondContact OD1-CB 3.34Å; N745-N747 PolarHBondContact OD1-N 3.01Å; N747-L749 PolarHBondContact O-N 3.07Å; N747-F750 HydrophobicContact CB-CD2 4.47Å; N747-F750 PolarHBondContact O-N 3.31Å; N747-F750 VanDerWaalsContact O-N 3.11Å |
| 748 | T | 84.5 | Confident | 83.6 | Confident | 4 Ų | 4 | 55.2 Ų | 55.2 | 3% | 0.025 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.3 | -29.5 | 176.6 | 58.2 | 0 | 0 | 0 | 0 | 111.9 | P744 N745 V746 F750 N751 V752 Y803 | P744-T748 HydrophobicContact CB-CG2 3.95Å; N745-T748 WeakPolarHBondContact O-CB 3.29Å; N745-T748 PolarHBondContact O-N 3.38Å; N745-T748 PolarHBondContact O-OG1 2.92Å; N745-T748 PolarHBondContact OD1-N 3.49Å; V746-T748 VanDerWaalsContact C-N 3.32Å; V746-T748 PolarHBondContact O-N 3.2Å; T748-F750 PolarHBondContact O-N 3.27Å; T748-N751 WeakPolarHBondContact O-CB 3.28Å; T748-N751 PolarHBondContact O-N 3.29Å; T748-V752 WeakPolarHBondContact O-CG2 3.37Å; T748-V752 PolarHBondContact O-N 2.94Å; T748-V752 VanDerWaalsContact O-N 3.09Å; T748-Y803 PolarHBondContact OG1-OH 3.5Å |
| 749 | L | 87.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -48.5 | -46.4 | 171.5 | 179.2 | 63.3 | 0 | 0 | 0 | 112 | W718 N747 N751 V752 L753 V799 L800 Y803 | W718-L749 HydrophobicContact CH2-CD1 4.19Å; N747-L749 PolarHBondContact O-N 3.07Å; L749-N751 VanDerWaalsContact C-N 3.27Å; L749-N751 PolarHBondContact O-N 3.42Å; L749-V752 PolarHBondContact O-N 2.98Å; L749-L753 HydrophobicContact CD1-CD1 3.62Å; L749-L753 HydrophobicContact CD1-CG 4.15Å; L749-L753 HydrophobicContact CG-CD1 3.9Å; L749-L753 WeakPolarHBondContact O-CG 3.34Å; L749-L753 PolarHBondContact O-N 3.35Å; L749-V799 HydrophobicContact CD1-CG1 3.67Å; L749-L800 HydrophobicContact CD1-CD2 4.46Å; L749-L800 HydrophobicContact CD2-CD2 4.16Å; L749-Y803 HydrophobicContact CB-CD1 3.72Å; L749-Y803 HydrophobicContact CB-CE1 3.52Å; L749-Y803 HydrophobicContact CB-CE2 4.32Å; L749-Y803 HydrophobicContact CB-CG 4.21Å; L749-Y803 HydrophobicContact CD1-CD2 4.04Å; L749-Y803 HydrophobicContact CD1-CE2 4.02Å; L749-Y803 HydrophobicContact CD1-CG 4.36Å; L749-Y803 HydrophobicContact CD2-CD1 4.03Å; L749-Y803 HydrophobicContact CD2-CD2 4.33Å; L749-Y803 HydrophobicContact CD2-CG 3.84Å; L749-Y803 HydrophobicContact CG-CD1 4.35Å; L749-Y803 HydrophobicContact CG-CE1 4.48Å; L749-Y803 HydrophobicContact CG-CG 4.36Å |
| 750 | F | 86.8 | Confident | 85.4 | Confident | 10 Ų | 10 | 55.5 Ų | 55.5 | 4% | 0.044 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -78 | -14.2 | -175.1 | -51.5 | -51.3 | 0 | 0 | 0 | 113.2 | N747 T748 F824 M827 F828 K831 | N747-F750 HydrophobicContact CB-CD2 4.47Å; N747-F750 PolarHBondContact O-N 3.31Å; N747-F750 VanDerWaalsContact O-N 3.11Å; T748-F750 PolarHBondContact O-N 3.27Å; F750-F824 HydrophobicContact CE1-CE2 4.49Å; F750-F824 AromaticContact CE2-CD2 3.58Å; F750-F824 HydrophobicContact CE2-CD2 3.58Å; F750-F824 AromaticContact CE2-CE2 3.84Å; F750-F824 HydrophobicContact CE2-CE2 3.84Å; F750-F824 AromaticContact CZ-CD2 3.57Å; F750-F824 HydrophobicContact CZ-CD2 3.57Å; F750-F824 AromaticContact CZ-CE2 3.48Å; F750-F824 HydrophobicContact CZ-CE2 3.48Å; F750-F824 VanDerWaalsContact CZ-CE2 3.48Å; F750-F824 HydrophobicContact CZ-CG 4.45Å; F750-F824 HydrophobicContact CZ-CZ 4.33Å; F750-M827 HydrophobicContact CB-CG 4.03Å; F750-M827 HydrophobicContact CD1-CB 4.5Å; F750-M827 HydrophobicContact CD1-CG 3.87Å; F750-M827 HydrophobicContact CD2-CB 3.88Å; F750-M827 HydrophobicContact CD2-CG 3.34Å; F750-M827 HydrophobicContact CE1-CB 4.25Å; F750-M827 HydrophobicContact CE1-CG 4.12Å; F750-M827 HydrophobicContact CE2-CB 3.58Å; F750-M827 HydrophobicContact CE2-CG 3.62Å; F750-M827 HydrophobicContact CG-CB 4.32Å; F750-M827 HydrophobicContact CG-CG 3.46Å; F750-M827 VanDerWaalsContact CG-CG 3.46Å; F750-M827 HydrophobicContact CZ-CB 3.77Å; F750-M827 HydrophobicContact CZ-CG 3.99Å; F750-F828 HydrophobicContact CE1-CB 4.24Å; F750-F828 HydrophobicContact CZ-CB 4.23Å; F750-K831 HydrophobicContact CB-CG 4.12Å; F750-K831 HydrophobicContact CD1-CB 4.14Å; F750-K831 HydrophobicContact CD1-CG 3.76Å; F750-K831 HydrophobicContact CG-CG 4.22Å; F750-K831 WeakPolarHBondContact O-CE 3.13Å; F750-K831 PolarHBondContact O-NZ 3.25Å; F750-K831 VanDerWaalsContact O-NZ 3.13Å |
| 751 | N | 84.6 | Confident | 86.1 | Confident | 117 Ų | 117 | 51.8 Ų | 51.8 | 63% | 0.626 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -86.1 | -26.5 | 172 | -64.1 | -22.3 | 0 | 0 | 0 | 111.9 | T748 L749 | T748-N751 WeakPolarHBondContact O-CB 3.28Å; T748-N751 PolarHBondContact O-N 3.29Å; L749-N751 VanDerWaalsContact C-N 3.27Å; L749-N751 PolarHBondContact O-N 3.42Å |
| 752 | V | 86 | Confident | 86.8 | Confident | 19 Ų | 19 | 47.9 Ų | 47.9 | 12% | 0.115 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -87.4 | -35.7 | 179.6 | -176.8 | 0 | 0 | 0 | 0 | 111.5 | V717 W718 T721 T748 L749 | V717-V752 HydrophobicContact CG1-CG2 3.95Å; W718-V752 HydrophobicContact CD2-CG1 3.59Å; W718-V752 HydrophobicContact CE3-CG1 4.05Å; W718-V752 HydrophobicContact CG-CG1 4.07Å; W718-V752 HydrophobicContact CH2-CB 4.39Å; W718-V752 HydrophobicContact CH2-CG1 3.94Å; W718-V752 HydrophobicContact CZ2-CB 4.31Å; W718-V752 HydrophobicContact CZ2-CG1 3.49Å; W718-V752 VanDerWaalsContact CZ2-CG1 3.49Å; W718-V752 HydrophobicContact CZ3-CG1 4.2Å; T721-V752 HydrophobicContact CG2-CG2 3.77Å; T748-V752 WeakPolarHBondContact O-CG2 3.37Å; T748-V752 PolarHBondContact O-N 2.94Å; T748-V752 VanDerWaalsContact O-N 3.09Å; L749-V752 PolarHBondContact O-N 2.98Å |
| 753 | L | 88.6 | Confident | 87.4 | Confident | 5 Ų | 5 | 43.6 Ų | 43.6 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -82 | 122.7 | 178.5 | -68.2 | 175 | 0 | 0 | 0 | 112 | W718 L749 L758 Y791 I796 L800 K831 | W718-L753 HydrophobicContact CH2-CD2 4.2Å; W718-L753 HydrophobicContact CH2-CG 4.44Å; W718-L753 HydrophobicContact CZ2-CD2 3.84Å; W718-L753 HydrophobicContact CZ2-CG 4.42Å; L749-L753 HydrophobicContact CD1-CD1 3.62Å; L749-L753 HydrophobicContact CD1-CG 4.15Å; L749-L753 HydrophobicContact CG-CD1 3.9Å; L749-L753 WeakPolarHBondContact O-CG 3.34Å; L749-L753 PolarHBondContact O-N 3.35Å; L753-L758 HydrophobicContact CD1-CD2 4.21Å; L753-Y791 HydrophobicContact CD2-CE2 4.35Å; L753-I796 HydrophobicContact CD2-CD1 3.91Å; L753-L800 HydrophobicContact CD1-CD2 4.08Å; L753-K831 PolarHBondContact O-NZ 2.99Å |
| 754 | D | 86.8 | Confident | 87.9 | Confident | 68 Ų | 68 | 40.2 Ų | 40.2 | 36% | 0.364 | 21% | 0.213 | S | C | . | . | trans | -78 | 124.4 | 165.9 | -175.8 | -83.3 | 0 | 0 | 0 | 109.9 | N756 Q757 L758 Y791 | D754-N756 WeakPolarHBondContact OD1-CA 3.48Å; D754-N756 WeakPolarHBondContact OD1-CB 3.23Å; D754-N756 PolarHBondContact OD1-N 2.92Å; D754-Q757 HydrophobicContact CB-CB 3.87Å; D754-Q757 WeakPolarHBondContact OD1-CB 3.47Å; D754-Q757 PolarHBondContact OD1-N 3.28Å; D754-L758 VanDerWaalsContact O-CB 3.26Å; D754-L758 WeakPolarHBondContact O-CB 3.19Å; D754-L758 PolarHBondContact O-N 3.36Å; D754-Y791 PolarHBondContact N-OH 3.17Å | ||
| 755 | D | 88.2 | Confident | 88.4 | Confident | 57 Ų | 57 | 39.9 Ų | 39.9 | 31% | 0.305 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -71.1 | -31.6 | -173.8 | 47.1 | -57.9 | 0 | 0 | 0 | 113.4 | L759 K831 N832 | D755-L759 WeakPolarHBondContact O-CB 3.41Å; D755-L759 PolarHBondContact O-N 2.79Å; D755-L759 VanDerWaalsContact O-N 3.17Å; D755-K831 HydrophobicContact CB-CD 3.84Å; D755-K831 IonicContact OD1-NZ 2.77Å; D755-K831 PolarHBondContact OD1-NZ 2.74Å; D755-N832 PolarHBondContact O-ND2 3.5Å |
| 756 | N | 88 | Confident | 88.8 | Confident | 88 Ų | 88 | 36.7 Ų | 36.7 | 47% | 0.471 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -75.5 | -48.5 | 177.7 | -65.2 | -42.1 | 0 | 0 | 0 | 110.1 | D754 L758 L759 D760 | D754-N756 WeakPolarHBondContact OD1-CA 3.48Å; D754-N756 WeakPolarHBondContact OD1-CB 3.23Å; D754-N756 PolarHBondContact OD1-N 2.92Å; N756-L758 VanDerWaalsContact C-N 3.29Å; N756-L758 PolarHBondContact O-N 3.46Å; N756-L759 PolarHBondContact O-N 3.2Å; N756-L759 VanDerWaalsContact O-N 3.14Å; N756-D760 WeakPolarHBondContact O-CB 3.4Å; N756-D760 PolarHBondContact O-N 2.83Å |
| 757 | Q | 89.7 | Confident | 89.1 | Confident | 45 Ų | 45 | 36.3 Ų | 36.3 | 21% | 0.21 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.5 | -40 | 176.3 | -168.9 | 177.7 | 10.3 | 0 | 0 | 111.2 | D754 S761 C789 Y791 | D754-Q757 HydrophobicContact CB-CB 3.87Å; D754-Q757 WeakPolarHBondContact OD1-CB 3.47Å; D754-Q757 PolarHBondContact OD1-N 3.28Å; Q757-S761 WeakPolarHBondContact O-CB 3.44Å; Q757-S761 PolarHBondContact O-N 2.76Å; Q757-S761 PolarHBondContact O-OG 3.48Å; Q757-C789 PolarHBondContact NE2-O 2.97Å; Q757-Y791 HydrophobicContact CB-CD2 4.47Å; Q757-Y791 HydrophobicContact CB-CE2 3.83Å; Q757-Y791 HydrophobicContact CG-CD2 4.02Å; Q757-Y791 HydrophobicContact CG-CE2 3.7Å; Q757-Y791 PolarHBondContact OE1-OH 3.49Å |
| 758 | L | 93.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.7 | -38.4 | 176.9 | -166.5 | 66.5 | 0 | 0 | 0 | 112.4 | L753 D754 N756 A762 Y791 I796 K831 C833 Y836 | L753-L758 HydrophobicContact CD1-CD2 4.21Å; D754-L758 VanDerWaalsContact O-CB 3.26Å; D754-L758 WeakPolarHBondContact O-CB 3.19Å; D754-L758 PolarHBondContact O-N 3.36Å; N756-L758 VanDerWaalsContact C-N 3.29Å; N756-L758 PolarHBondContact O-N 3.46Å; L758-A762 WeakPolarHBondContact O-CB 3.31Å; L758-A762 PolarHBondContact O-N 2.88Å; L758-Y791 HydrophobicContact CB-CD2 4.19Å; L758-Y791 HydrophobicContact CB-CE2 4.08Å; L758-Y791 HydrophobicContact CD1-CD2 3.69Å; L758-Y791 HydrophobicContact CD1-CE2 4.19Å; L758-Y791 HydrophobicContact CD1-CG 4.47Å; L758-I796 HydrophobicContact CD1-CG2 4.05Å; L758-K831 WeakPolarHBondContact CD2-O 3.4Å; L758-C833 HydrophobicContact CD2-CB 4.41Å; L758-Y836 HydrophobicContact CD1-CD1 4.1Å; L758-Y836 HydrophobicContact CD1-CD2 3.64Å; L758-Y836 HydrophobicContact CD1-CE2 4.16Å; L758-Y836 HydrophobicContact CD1-CG 3.61Å; L758-Y836 HydrophobicContact CG-CD2 4.24Å; L758-Y836 HydrophobicContact CG-CG 4.2Å |
| 759 | L | 94.7 | Very high | 89.1 | Confident | 21 Ų | 21 | 39.3 Ų | 39.3 | 11% | 0.11 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.5 | -43.2 | 175.7 | -176.3 | 59.5 | 0 | 0 | 0 | 112 | D755 N756 S761 A762 Y763 N832 C835 I945 K949 | D755-L759 WeakPolarHBondContact O-CB 3.41Å; D755-L759 PolarHBondContact O-N 2.79Å; D755-L759 VanDerWaalsContact O-N 3.17Å; N756-L759 PolarHBondContact O-N 3.2Å; N756-L759 VanDerWaalsContact O-N 3.14Å; L759-S761 VanDerWaalsContact C-N 3.31Å; L759-S761 PolarHBondContact O-N 2.84Å; L759-A762 WeakPolarHBondContact O-CA 3.33Å; L759-A762 WeakPolarHBondContact O-CB 3.3Å; L759-A762 PolarHBondContact O-N 3.27Å; L759-Y763 HydrophobicContact CD1-CD2 4.28Å; L759-Y763 HydrophobicContact CD1-CE2 3.73Å; L759-Y763 HydrophobicContact CD2-CE2 4.11Å; L759-Y763 HydrophobicContact CG-CD2 4.05Å; L759-Y763 HydrophobicContact CG-CE2 3.63Å; L759-Y763 WeakPolarHBondContact O-CD2 3.37Å; L759-Y763 PolarHBondContact O-N 3.31Å; L759-N832 HydrophobicContact CB-CB 4.21Å; L759-N832 HydrophobicContact CD1-CB 4.32Å; L759-C835 HydrophobicContact CD1-CB 4.42Å; L759-I945 HydrophobicContact CD1-CG2 3.9Å; L759-K949 HydrophobicContact CD1-CD 4.02Å; L759-K949 HydrophobicContact CD1-CG 4.18Å; L759-K949 HydrophobicContact CD2-CD 4Å; L759-K949 HydrophobicContact CD2-CG 4.47Å |
| 760 | D | 91.2 | Very high | 88.6 | Confident | 90 Ų | 90 | 46.8 Ų | 46.8 | 48% | 0.481 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.4 | -39.1 | 176.2 | -74.1 | -17.2 | 0 | 0 | 0 | 111.2 | N756 A762 Y763 N764 | N756-D760 WeakPolarHBondContact O-CB 3.4Å; N756-D760 PolarHBondContact O-N 2.83Å; D760-A762 VanDerWaalsContact C-N 3.27Å; D760-A762 PolarHBondContact O-N 3.26Å; D760-Y763 PolarHBondContact O-N 3.41Å; D760-N764 WeakPolarHBondContact O-CB 3.06Å; D760-N764 PolarHBondContact O-N 3.47Å; D760-N764 PolarHBondContact O-ND2 2.79Å |
| 761 | S | 92.9 | Very high | 87.8 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.8 | -30.2 | 172.2 | -55.4 | 0 | 0 | 0 | 0 | 112.2 | Q757 L759 N764 F765 T790 Y791 | Q757-S761 WeakPolarHBondContact O-CB 3.44Å; Q757-S761 PolarHBondContact O-N 2.76Å; Q757-S761 PolarHBondContact O-OG 3.48Å; L759-S761 VanDerWaalsContact C-N 3.31Å; L759-S761 PolarHBondContact O-N 2.84Å; S761-N764 CarbonylContact O-C 3.43Å; S761-F765 WeakPolarHBondContact O-CA 3.48Å; S761-F765 PolarHBondContact O-N 3.34Å; S761-T790 VanDerWaalsContact OG-CA 3.31Å; S761-T790 WeakPolarHBondContact OG-CA 3.48Å; S761-Y791 PolarHBondContact OG-N 2.94Å |
| 762 | A | 95.6 | Very high | 87 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.008 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -71 | -43.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L758 L759 D760 N764 C835 Y836 A839 I945 | L758-A762 WeakPolarHBondContact O-CB 3.31Å; L758-A762 PolarHBondContact O-N 2.88Å; L759-A762 WeakPolarHBondContact O-CA 3.33Å; L759-A762 WeakPolarHBondContact O-CB 3.3Å; L759-A762 PolarHBondContact O-N 3.27Å; D760-A762 VanDerWaalsContact C-N 3.27Å; D760-A762 PolarHBondContact O-N 3.26Å; A762-N764 VanDerWaalsContact C-N 3.32Å; A762-N764 PolarHBondContact O-N 2.59Å; A762-C835 HydrophobicContact CB-CB 4.43Å; A762-Y836 HydrophobicContact CB-CD2 4.08Å; A762-A839 HydrophobicContact CB-CB 3.99Å; A762-A839 VanDerWaalsContact O-CB 3.27Å; A762-A839 WeakPolarHBondContact O-CB 3.45Å; A762-I945 HydrophobicContact CB-CD1 4.02Å |
| 763 | Y | 93.3 | Very high | 85.1 | Confident | 37 Ų | 37 | 49.9 Ų | 49.9 | 15% | 0.145 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.6 | -33.4 | 175.5 | -73 | -50.7 | 0 | 0 | 0 | 113.1 | L759 D760 K938 I945 R946 | L759-Y763 HydrophobicContact CD1-CD2 4.28Å; L759-Y763 HydrophobicContact CD1-CE2 3.73Å; L759-Y763 HydrophobicContact CD2-CE2 4.11Å; L759-Y763 HydrophobicContact CG-CD2 4.05Å; L759-Y763 HydrophobicContact CG-CE2 3.63Å; L759-Y763 WeakPolarHBondContact O-CD2 3.37Å; L759-Y763 PolarHBondContact O-N 3.31Å; D760-Y763 PolarHBondContact O-N 3.41Å; Y763-K938 WeakPolarHBondContact O-CE 3.41Å; Y763-K938 PolarHBondContact O-NZ 3.23Å; Y763-I945 HydrophobicContact CD1-CG2 4.02Å; Y763-I945 HydrophobicContact CE1-CB 4.06Å; Y763-I945 HydrophobicContact CE1-CG2 3.4Å; Y763-I945 VanDerWaalsContact CE1-CG2 3.4Å; Y763-R946 HydrophobicContact CE1-CG 3.87Å |
| 764 | N | 90.4 | Very high | 82.9 | Confident | 89 Ų | 89 | 54 Ų | 54 | 48% | 0.476 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 32.6 | -179.3 | -63.5 | -51.4 | 0 | 0 | 0 | 112.9 | D760 S761 A762 T790 | D760-N764 WeakPolarHBondContact O-CB 3.06Å; D760-N764 PolarHBondContact O-N 3.47Å; D760-N764 PolarHBondContact O-ND2 2.79Å; S761-N764 CarbonylContact O-C 3.43Å; A762-N764 VanDerWaalsContact C-N 3.32Å; A762-N764 PolarHBondContact O-N 2.59Å; N764-T790 HydrophobicContact CB-CG2 4.25Å |
| 765 | F | 91.9 | Very high | 80.4 | Confident | 5 Ų | 5 | 54.6 Ų | 54.6 | 2% | 0.022 | 28% | 0.275 | C | S | . | . | trans | -53.8 | 130.4 | -174.9 | -166.5 | -83.4 | 0 | 0 | 0 | 112.2 | S761 L767 P793 L797 Y836 A839 G840 M848 | S761-F765 WeakPolarHBondContact O-CA 3.48Å; S761-F765 PolarHBondContact O-N 3.34Å; F765-L767 PolarHBondContact O-N 3.32Å; F765-P793 HydrophobicContact CE1-CB 4.29Å; F765-P793 HydrophobicContact CE1-CG 4.3Å; F765-P793 HydrophobicContact CE2-CB 3.72Å; F765-P793 HydrophobicContact CE2-CG 4.38Å; F765-P793 HydrophobicContact CZ-CB 3.37Å; F765-P793 HydrophobicContact CZ-CG 3.84Å; F765-L797 HydrophobicContact CZ-CD1 4.48Å; F765-Y836 HydrophobicContact CD2-CE2 4.07Å; F765-Y836 HydrophobicContact CE2-CE1 4.21Å; F765-Y836 HydrophobicContact CE2-CE2 4.21Å; F765-Y836 AromaticContact CE2-CZ 3.94Å; F765-A839 HydrophobicContact CB-CB 3.88Å; F765-A839 HydrophobicContact CD2-CB 3.58Å; F765-A839 HydrophobicContact CE2-CB 4.41Å; F765-A839 HydrophobicContact CG-CB 3.92Å; F765-G840 VanDerWaalsContact CZ-CA 3.46Å; F765-M848 HydrophobicContact CE1-CE 4.02Å; F765-M848 HydrophobicContact CZ-CE 4.2Å | ||
| 766 | P | 88.7 | Confident | 77.8 | Confident | 21 Ų | 21 | 57.5 Ų | 57.5 | 14% | 0.136 | 29% | 0.29 | C | S | . | . | trans | -75.4 | 89.2 | -174.4 | 30.1 | -35.1 | 0 | 0 | 0 | 111.1 | M688 Y768 R769 P793 | M688-P766 HydrophobicContact CE-CB 4.46Å; M688-P766 HydrophobicContact CG-CG 4.31Å; M688-P766 HydrophobicContact SD-CG 4.25Å; P766-Y768 VanDerWaalsContact C-N 3.26Å; P766-Y768 PolarHBondContact O-N 3.08Å; P766-R769 HydrophobicContact CB-CB 4.09Å; P766-R769 HydrophobicContact CG-CB 4.17Å; P766-R769 WeakPolarHBondContact O-CB 3.22Å; P766-R769 PolarHBondContact O-N 2.99Å; P766-R769 VanDerWaalsContact O-N 3.13Å; P766-P793 HydrophobicContact CG-CG 3.76Å | ||
| 767 | L | 85.2 | Confident | 75 | Confident | 11 Ų | 11 | 57.2 Ų | 57.2 | 6% | 0.058 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -39.5 | -172.5 | -58.2 | 179.3 | 0 | 0 | 0 | 113.6 | F765 S842 Y844 K938 | F765-L767 PolarHBondContact O-N 3.32Å; L767-S842 WeakPolarHBondContact CD2-OG 3.37Å; L767-Y844 HydrophobicContact CB-CD2 4.02Å; L767-Y844 HydrophobicContact CB-CE2 4.23Å; L767-Y844 PolarHBondContact O-N 3.43Å; L767-K938 HydrophobicContact CD1-CB 4.34Å; L767-K938 HydrophobicContact CD1-CD 4.31Å; L767-K938 HydrophobicContact CD2-CB 4.43Å |
| 768 | Y | 83 | Confident | 72.4 | Confident | 111 Ų | 111 | 58.9 Ų | 58.9 | 44% | 0.435 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 0.8 | -173.6 | -57.6 | -74.4 | 0 | 0 | 0 | 114.1 | P766 K770 Y844 D1008 | P766-Y768 VanDerWaalsContact C-N 3.26Å; P766-Y768 PolarHBondContact O-N 3.08Å; Y768-K770 PolarHBondContact O-N 3.23Å; Y768-K770 VanDerWaalsContact O-N 3.11Å; Y768-Y844 AromaticContact CD1-CD2 3.61Å; Y768-Y844 HydrophobicContact CD1-CD2 3.61Å; Y768-Y844 AromaticContact CD1-CE2 3.89Å; Y768-Y844 HydrophobicContact CD1-CE2 3.89Å; Y768-Y844 HydrophobicContact CD1-CG 4.38Å; Y768-Y844 AromaticContact CE1-CD2 3.54Å; Y768-Y844 HydrophobicContact CE1-CD2 3.54Å; Y768-Y844 AromaticContact CE1-CE2 3.29Å; Y768-Y844 HydrophobicContact CE1-CE2 3.29Å; Y768-Y844 HydrophobicContact CE1-CG 4.44Å; Y768-Y844 HydrophobicContact CG-CD2 4.39Å; Y768-Y844 AromaticContact CZ-CE2 3.73Å; Y768-D1008 VanDerWaalsContact OH-CB 3.26Å; Y768-D1008 WeakPolarHBondContact OH-CB 3.33Å |
| 769 | R | 84.6 | Confident | 69.5 | Low | 29 Ų | 29 | 64 Ų | 64 | 11% | 0.109 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 118.1 | 178.6 | -178.9 | 57.9 | 166.9 | 106.9 | -5.4 | 109.6 | M688 P766 D792 P793 M848 | M688-R769 HydrophobicContact CE-CG 4.44Å; M688-R769 HydrophobicContact SD-CG 4.25Å; P766-R769 HydrophobicContact CB-CB 4.09Å; P766-R769 HydrophobicContact CG-CB 4.17Å; P766-R769 WeakPolarHBondContact O-CB 3.22Å; P766-R769 PolarHBondContact O-N 2.99Å; P766-R769 VanDerWaalsContact O-N 3.13Å; R769-D792 IonicContact CZ-OD2 3.59Å; R769-D792 IonicContact NE-OD1 3.11Å; R769-D792 IonicContact NE-OD2 3.75Å; R769-D792 PolarHBondContact NE-OD2 3.45Å; R769-D792 IonicContact NH2-OD1 3.62Å; R769-D792 IonicContact NH2-OD2 2.77Å; R769-D792 PolarHBondContact NH2-OD2 3.02Å; R769-P793 HydrophobicContact CB-CG 4.39Å; R769-P793 HydrophobicContact CG-CG 4.1Å; R769-M848 HydrophobicContact CB-CE 3.93Å; R769-M848 HydrophobicContact CG-CE 4.21Å; R769-M848 WeakPolarHBondContact O-CE 3.3Å |
| 770 | K | 76.8 | Confident | 66.4 | Low | 158 Ų | 158 | 69.6 Ų | 69.6 | 69% | 0.687 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -79.8 | 143.2 | 177.9 | -66.4 | -178 | -177.9 | 176.1 | 0 | 110.1 | Y768 | Y768-K770 PolarHBondContact O-N 3.23Å; Y768-K770 VanDerWaalsContact O-N 3.11Å |
| 771 | W | 70.8 | Confident | 63.6 | Low | 67 Ų | 67 | 69.4 Ų | 69.4 | 25% | 0.254 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 143.4 | 164.3 | -167.4 | -95.1 | 0 | 0 | 0 | 109.7 | T773 H798 H847 M848 | W771-T773 PolarHBondContact O-N 3.3Å; W771-H798 AromaticContact CH2-CE1 2.89Å; W771-H798 WeakPolarHBondContact CH2-CE1 3.35Å; W771-H798 AromaticContact CH2-NE2 2.92Å; W771-H798 WeakPolarHBondContact CH2-NE2 3.4Å; W771-H798 AromaticContact CZ2-CE1 3.46Å; W771-H798 VanDerWaalsContact CZ2-CE1 3.46Å; W771-H798 WeakPolarHBondContact CZ2-CE1 3.46Å; W771-H798 AromaticContact CZ2-NE2 3.24Å; W771-H798 WeakPolarHBondContact CZ2-NE2 3.48Å; W771-H798 AromaticContact CZ3-CE1 3.32Å; W771-H798 WeakPolarHBondContact CZ3-CE1 3.4Å; W771-H798 AromaticContact CZ3-NE2 3.85Å; W771-H847 HydrophobicContact CB-CB 4.23Å; W771-H847 HydrophobicContact CD2-CB 3.79Å; W771-H847 HydrophobicContact CE3-CB 3.91Å; W771-H847 HydrophobicContact CG-CB 3.99Å; W771-H847 HydrophobicContact CZ3-CB 4.27Å; W771-M848 HydrophobicContact CE3-CG 3.79Å; W771-M848 HydrophobicContact CE3-SD 4.45Å; W771-M848 HydrophobicContact CZ3-CG 4.02Å |
| 772 | F | 66.1 | Low | 60.7 | Low | 33 Ų | 33 | 74 Ų | 74 | 15% | 0.145 | 39% | 0.392 | C | S | . | . | trans | -67.1 | 97.9 | 179.2 | -61.2 | -74.1 | 0 | 0 | 0 | 111.1 | L696 K697 C794 | L696-F772 HydrophobicContact CB-CZ 4.28Å; L696-F772 HydrophobicContact CD2-CE2 3.46Å; L696-F772 VanDerWaalsContact CD2-CE2 3.46Å; L696-F772 HydrophobicContact CD2-CZ 3.75Å; L696-F772 HydrophobicContact CG-CE2 3.68Å; L696-F772 HydrophobicContact CG-CZ 3.92Å; K697-F772 HydrophobicContact CD-CE1 4.14Å; K697-F772 HydrophobicContact CG-CD1 3.78Å; K697-F772 HydrophobicContact CG-CE1 3.35Å; K697-F772 HydrophobicContact CG-CZ 4.04Å; F772-C794 HydrophobicContact CD2-CB 4.17Å; F772-C794 HydrophobicContact CE2-CB 3.7Å | ||
| 773 | T | 47.6 | Very low | 57.7 | Low | 111 Ų | 111 | 79.9 Ų | 79.9 | 68% | 0.681 | 42% | 0.418 | S | S | * | . | trans | -94 | 122.7 | 150.4 | 23.5 | 0 | 0 | 0 | 0 | 106.5 | W771 S775 | W771-T773 PolarHBondContact O-N 3.3Å; T773-S775 VanDerWaalsContact C-N 3.29Å; T773-S775 PolarHBondContact O-N 3.03Å; T773-S775 PolarHBondContact O-OG 3.28Å | ||
| 774 | I | 42 | Very low | 54.9 | Low | 91 Ų | 91 | 82.6 Ų | 82.6 | 47% | 0.467 | 43% | 0.434 | S | S | . | . | trans | -56.7 | 97.6 | 174.5 | -55.5 | 167.6 | 0 | 0 | 0 | 106.7 | Y700 L701 K704 | Y700-I774 HydrophobicContact CE1-CD1 4.02Å; Y700-I774 HydrophobicContact CE1-CG1 3.92Å; L701-I774 HydrophobicContact CD2-CD1 4.14Å; K704-I774 HydrophobicContact CD-CD1 4.25Å | ||
| 775 | S | 33.5 | Very low | 52.3 | Low | 81 Ų | 81 | 79.3 Ų | 79.3 | 57% | 0.566 | 42% | 0.417 | S | S | * | . | trans | -120.8 | 120.6 | 172.1 | 40.6 | 0 | 0 | 0 | 0 | 105.7 | T773 S777 | T773-S775 VanDerWaalsContact C-N 3.29Å; T773-S775 PolarHBondContact O-N 3.03Å; T773-S775 PolarHBondContact O-OG 3.28Å; S775-S777 PolarHBondContact O-N 3.28Å | ||
| 776 | N | 33.8 | Very low | 49.9 | Very low | 117 Ų | 117 | 85 Ų | 85 | 63% | 0.626 | 44% | 0.444 | S | S | * | . | trans | -70.2 | 16.1 | -177 | -79.3 | 1.7 | 0 | 0 | 0 | 113.5 | Y778 | N776-Y778 PolarHBondContact O-N 3.24Š| ||
| 777 | S | 30.6 | Very low | 48.1 | Very low | 83 Ų | 83 | 86.2 Ų | 86.2 | 58% | 0.58 | 45% | 0.449 | S | S | * | . | trans | -72.9 | 107.9 | 177.8 | 60.5 | 0 | 0 | 0 | 0 | 108.8 | S775 V779 | S775-S777 PolarHBondContact O-N 3.28Å; S777-V779 PolarHBondContact O-N 3.07Å | ||
| 778 | Y | 33.6 | Very low | 46.9 | Very low | 80 Ų | 80 | 88 Ų | 88 | 31% | 0.314 | 46% | 0.458 | S | S | . | . | trans | -50.5 | 106.6 | 163.8 | -153.6 | -96.6 | 0 | 0 | 0 | 107.7 | K594 H597 N776 N780 | K594-Y778 WeakPolarHBondContact CG-OH 3.08Å; H597-Y778 AromaticContact CD2-CD2 3.63Å; H597-Y778 AromaticContact CD2-CE2 3.98Å; H597-Y778 AromaticContact CE1-CD2 3.66Å; H597-Y778 AromaticContact NE2-CD2 3.35Å; H597-Y778 WeakPolarHBondContact NE2-CD2 3.14Å; N776-Y778 PolarHBondContact O-N 3.24Å; Y778-N780 PolarHBondContact O-N 3.05Å; Y778-N780 VanDerWaalsContact O-N 3.11Å | ||
| 779 | V | 33.4 | Very low | 46.3 | Very low | 108 Ų | 108 | 84.5 Ų | 84.5 | 66% | 0.655 | 45% | 0.449 | S | S | * | . | trans | -68.3 | 111.6 | 169.7 | 177 | 0 | 0 | 0 | 0 | 104.1 | S777 D781 | S777-V779 PolarHBondContact O-N 3.07Å; V779-D781 PolarHBondContact O-N 3.38Å | ||
| 780 | N | 30 | Very low | 46.3 | Very low | 138 Ų | 138 | 84 Ų | 84 | 74% | 0.738 | 45% | 0.45 | S | S | * | . | trans | -46.5 | 118.4 | 168.1 | -85.5 | -13.2 | 0 | 0 | 0 | 107 | Y778 S782 | Y778-N780 PolarHBondContact O-N 3.05Å; Y778-N780 VanDerWaalsContact O-N 3.11Å; N780-S782 PolarHBondContact O-N 3.34Å | ||
| 781 | D | 32.7 | Very low | 47 | Very low | 85 Ų | 85 | 76.9 Ų | 76.9 | 46% | 0.455 | 42% | 0.419 | S | S | . | . | trans | -56.3 | 87.3 | 177.2 | -71.6 | -37.3 | 0 | 0 | 0 | 106.9 | K658 V779 K783 | K658-D781 IonicContact NZ-OD1 2.76Å; K658-D781 PolarHBondContact NZ-OD1 2.93Å; K658-D781 VanDerWaalsContact NZ-OD1 3.14Å; K658-D781 IonicContact NZ-OD2 3.1Å; K658-D781 PolarHBondContact NZ-OD2 3.44Å; V779-D781 PolarHBondContact O-N 3.38Å; D781-K783 VanDerWaalsContact C-N 3.31Å; D781-K783 PolarHBondContact O-N 2.93Å | ||
| 782 | S | 30.5 | Very low | 48 | Very low | 98 Ų | 98 | 73.7 Ų | 73.7 | 69% | 0.685 | 41% | 0.406 | S | S | * | . | trans | -62.4 | 105.2 | 162.6 | 52.3 | 0 | 0 | 0 | 0 | 103.8 | N780 I784 | N780-S782 PolarHBondContact O-N 3.34Å; S782-I784 PolarHBondContact O-N 2.8Å | ||
| 783 | K | 34.1 | Very low | 49.3 | Very low | 125 Ų | 125 | 72.1 Ų | 72.1 | 54% | 0.543 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -60 | 15.9 | -163.2 | -65.4 | -179.5 | 171.8 | -178 | 0 | 116.3 | I524 V528 D781 | I524-K783 HydrophobicContact CB-CB 4.42Å; I524-K783 HydrophobicContact CD1-CB 4.18Å; I524-K783 HydrophobicContact CG1-CB 3.99Å; I524-K783 WeakPolarHBondContact CG1-O 3.37Å; I524-K783 HydrophobicContact CG2-CB 3.7Å; I524-K783 HydrophobicContact CG2-CD 3.78Å; I524-K783 HydrophobicContact CG2-CG 4.41Å; V528-K783 HydrophobicContact CG2-CD 4.25Å; D781-K783 VanDerWaalsContact C-N 3.31Å; D781-K783 PolarHBondContact O-N 2.93Å |
| 784 | I | 34.6 | Very low | 51.3 | Low | 93 Ų | 93 | 67.1 Ų | 67.1 | 48% | 0.477 | 37% | 0.369 | S | S | . | . | trans | -98.8 | 102.6 | 179.3 | -50.6 | 174.2 | 0 | 0 | 0 | 107.8 | I524 S782 E786 | I524-I784 HydrophobicContact CD1-CD1 4.48Å; I524-I784 HydrophobicContact CD1-CG1 3.78Å; I524-I784 HydrophobicContact CG1-CG1 3.97Å; S782-I784 PolarHBondContact O-N 2.8Å; I784-E786 VanDerWaalsContact C-N 3.29Å; I784-E786 HydrophobicContact CG2-CG 3.88Å; I784-E786 PolarHBondContact O-N 2.78Å; I784-E786 VanDerWaalsContact O-N 3.11Å | ||
| 785 | V | 35.1 | Very low | 53.7 | Low | 21 Ų | 21 | 63.5 Ų | 63.5 | 13% | 0.127 | 35% | 0.35 | C | S | . | . | trans | -77.8 | 86.9 | 164.4 | -179.4 | 0 | 0 | 0 | 0 | 106.6 | M527 Y650 I787 | M527-V785 HydrophobicContact CE-CG2 3.72Å; M527-V785 HydrophobicContact SD-CB 4.15Å; M527-V785 HydrophobicContact SD-CG2 3.5Å; M527-V785 VanDerWaalsContact SD-CG2 3.5Å; Y650-V785 HydrophobicContact CE1-CG1 4.44Å; V785-I787 HydrophobicContact CG1-CG1 4.49Å; V785-I787 PolarHBondContact O-N 3.24Å | ||
| 786 | E | 40.6 | Very low | 56.6 | Low | 124 Ų | 124 | 59.7 Ų | 59.7 | 58% | 0.579 | 32% | 0.324 | S | S | * | . | trans | -71.8 | 112.8 | 162.3 | -80.9 | -178.3 | 173.1 | 0 | 0 | 107 | I784 N788 | I784-E786 VanDerWaalsContact C-N 3.29Å; I784-E786 HydrophobicContact CG2-CG 3.88Å; I784-E786 PolarHBondContact O-N 2.78Å; I784-E786 VanDerWaalsContact O-N 3.11Å; E786-N788 PolarHBondContact O-N 3.44Å | ||
| 787 | I | 50.8 | Low | 59.5 | Low | 47 Ų | 47 | 54.1 Ų | 54.1 | 24% | 0.241 | 29% | 0.294 | C | S | . | . | trans | -70.3 | 84.4 | 168.2 | -50.8 | 172 | 0 | 0 | 0 | 106.5 | E519 I522 V785 C789 | E519-I787 WeakPolarHBondContact OE2-CG2 3.33Å; I522-I787 HydrophobicContact CD1-CD1 4.08Å; V785-I787 HydrophobicContact CG1-CG1 4.49Å; V785-I787 PolarHBondContact O-N 3.24Å; I787-C789 PolarHBondContact O-N 2.98Å | ||
| 788 | N | 60.4 | Low | 62.4 | Low | 48 Ų | 48 | 53.4 Ų | 53.4 | 26% | 0.257 | 28% | 0.281 | S | S | . | . | trans | -84.5 | 97.2 | -178.1 | -170.5 | -14.3 | 0 | 0 | 0 | 108.8 | M688 S689 E786 T790 | M688-N788 CarbonylContact C-O 3.58Å; M688-N788 HydrophobicContact CB-CB 3.82Å; M688-N788 PolarHBondContact N-O 3.47Å; S689-N788 PolarHBondContact N-O 2.83Å; E786-N788 PolarHBondContact O-N 3.44Å; N788-T790 VanDerWaalsContact CG-OG1 3.29Å; N788-T790 PolarHBondContact ND2-OG1 2.9Å; N788-T790 PolarHBondContact O-N 3.38Å; N788-T790 VanDerWaalsContact OD1-CB 3.32Å; N788-T790 WeakPolarHBondContact OD1-CB 3.09Å; N788-T790 WeakPolarHBondContact OD1-CG2 3.34Å; N788-T790 PolarHBondContact OD1-N 2.86Å; N788-T790 PolarHBondContact OD1-OG1 2.88Å | ||
| 789 | C | 71 | Confident | 65.2 | Low | 37 Ų | 37 | 49.8 Ų | 49.8 | 25% | 0.25 | 27% | 0.267 | C | S | . | . | trans | -70.2 | -3.7 | 178.8 | -34.6 | 0 | 0 | 0 | 0 | 112.9 | E519 Q757 I787 Y791 | E519-C789 PolarHBondContact OE2-SG 3.04Å; Q757-C789 PolarHBondContact NE2-O 2.97Å; I787-C789 PolarHBondContact O-N 2.98Å; C789-Y791 PolarHBondContact O-N 3.33Å | ||
| 790 | T | 84 | Confident | 68.1 | Low | 20 Ų | 20 | 44.6 Ų | 44.6 | 12% | 0.123 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -64.6 | 140.1 | 175 | 61.1 | 0 | 0 | 0 | 0 | 110.1 | T687 M688 S761 N764 N788 | T687-T790 CarbonylContact C-O 3.51Å; T687-T790 VanDerWaalsContact CA-O 3.3Å; T687-T790 WeakPolarHBondContact CA-O 3.48Å; M688-T790 WeakPolarHBondContact CB-O 3.35Å; M688-T790 PolarHBondContact N-O 3.14Å; S761-T790 VanDerWaalsContact OG-CA 3.31Å; S761-T790 WeakPolarHBondContact OG-CA 3.48Å; N764-T790 HydrophobicContact CB-CG2 4.25Å; N788-T790 VanDerWaalsContact CG-OG1 3.29Å; N788-T790 PolarHBondContact ND2-OG1 2.9Å; N788-T790 PolarHBondContact O-N 3.38Å; N788-T790 VanDerWaalsContact OD1-CB 3.32Å; N788-T790 WeakPolarHBondContact OD1-CB 3.09Å; N788-T790 WeakPolarHBondContact OD1-CG2 3.34Å; N788-T790 PolarHBondContact OD1-N 2.86Å; N788-T790 PolarHBondContact OD1-OG1 2.88Å |
| 791 | Y | 92.5 | Very high | 71.1 | Confident | 7 Ų | 7 | 41.3 Ų | 41.3 | 3% | 0.027 | 21% | 0.213 | C | C | . | . | B | Isolated β-bridge | trans | -62.3 | 141.8 | 176.9 | -78.5 | -59.2 | 0 | 0 | 0 | 111.5 | A686 L753 D754 Q757 L758 S761 C789 P793 I796 Y836 | A686-Y791 HydrophobicContact CB-CD1 3.97Å; A686-Y791 HydrophobicContact CB-CE1 4.27Å; A686-Y791 CarbonylContact O-C 3.57Å; A686-Y791 VanDerWaalsContact O-CA 3.28Å; A686-Y791 WeakPolarHBondContact O-CA 3.23Å; A686-Y791 WeakPolarHBondContact O-CD1 3.42Å; L753-Y791 HydrophobicContact CD2-CE2 4.35Å; D754-Y791 PolarHBondContact N-OH 3.17Å; Q757-Y791 HydrophobicContact CB-CD2 4.47Å; Q757-Y791 HydrophobicContact CB-CE2 3.83Å; Q757-Y791 HydrophobicContact CG-CD2 4.02Å; Q757-Y791 HydrophobicContact CG-CE2 3.7Å; Q757-Y791 PolarHBondContact OE1-OH 3.49Å; L758-Y791 HydrophobicContact CB-CD2 4.19Å; L758-Y791 HydrophobicContact CB-CE2 4.08Å; L758-Y791 HydrophobicContact CD1-CD2 3.69Å; L758-Y791 HydrophobicContact CD1-CE2 4.19Å; L758-Y791 HydrophobicContact CD1-CG 4.47Å; S761-Y791 PolarHBondContact OG-N 2.94Å; C789-Y791 PolarHBondContact O-N 3.33Å; Y791-P793 VanDerWaalsContact O-CD 3.29Å; Y791-P793 WeakPolarHBondContact O-CD 3.21Å; Y791-I796 HydrophobicContact CD1-CD1 4.16Å; Y791-I796 HydrophobicContact CD1-CG1 4.14Å; Y791-I796 HydrophobicContact CG-CD1 4.45Å; Y791-I796 HydrophobicContact CG-CG1 4.04Å; Y791-Y836 PolarHBondContact O-OH 3.28Å |
| 792 | D | 91.5 | Very high | 73.8 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -77.1 | 115.2 | 176.6 | -168.9 | -23.7 | 0 | 0 | 0 | 109.9 | A686 M688 R769 C794 F795 I796 | A686-D792 PolarHBondContact O-N 2.84Å; M688-D792 HydrophobicContact CG-CB 4.33Å; M688-D792 HydrophobicContact SD-CB 3.91Å; M688-D792 VanDerWaalsContact SD-CG 3.59Å; R769-D792 IonicContact CZ-OD2 3.59Å; R769-D792 IonicContact NE-OD1 3.11Å; R769-D792 IonicContact NE-OD2 3.75Å; R769-D792 PolarHBondContact NE-OD2 3.45Å; R769-D792 IonicContact NH2-OD1 3.62Å; R769-D792 IonicContact NH2-OD2 2.77Å; R769-D792 PolarHBondContact NH2-OD2 3.02Å; D792-C794 PolarHBondContact O-N 3.18Å; D792-C794 VanDerWaalsContact OD1-CB 3.25Å; D792-C794 WeakPolarHBondContact OD1-CB 3.46Å; D792-C794 PolarHBondContact OD1-N 3.29Å; D792-F795 PolarHBondContact O-N 3.04Å; D792-F795 VanDerWaalsContact O-N 3.08Å; D792-I796 PolarHBondContact O-N 3.17Å | ||
| 793 | P | 92.6 | Very high | 76.7 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.6 | -23.4 | 177.9 | 27.5 | -37.6 | 0 | 0 | 0 | 113.7 | F765 P766 R769 Y791 F795 L797 Y836 M848 | F765-P793 HydrophobicContact CE1-CB 4.29Å; F765-P793 HydrophobicContact CE1-CG 4.3Å; F765-P793 HydrophobicContact CE2-CB 3.72Å; F765-P793 HydrophobicContact CE2-CG 4.38Å; F765-P793 HydrophobicContact CZ-CB 3.37Å; F765-P793 HydrophobicContact CZ-CG 3.84Å; P766-P793 HydrophobicContact CG-CG 3.76Å; R769-P793 HydrophobicContact CB-CG 4.39Å; R769-P793 HydrophobicContact CG-CG 4.1Å; Y791-P793 VanDerWaalsContact O-CD 3.29Å; Y791-P793 WeakPolarHBondContact O-CD 3.21Å; P793-F795 PolarHBondContact O-N 3.45Å; P793-L797 HydrophobicContact CB-CD1 4.05Å; P793-L797 HydrophobicContact CB-CG 4.28Å; P793-L797 WeakPolarHBondContact O-CB 3.24Å; P793-L797 WeakPolarHBondContact O-CG 3.48Å; P793-L797 PolarHBondContact O-N 3.12Å; P793-Y836 WeakPolarHBondContact CA-OH 3.42Å; P793-Y836 HydrophobicContact CB-CE1 4.44Å; P793-M848 HydrophobicContact CB-CE 4.01Å; P793-M848 HydrophobicContact CG-CE 3.59Å |
| 794 | C | 90.6 | Very high | 79.4 | Confident | 7 Ų | 7 | 28.9 Ų | 28.9 | 5% | 0.047 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.9 | -22.9 | 174.8 | -73.1 | 0 | 0 | 0 | 0 | 112.3 | L696 F772 D792 H798 | L696-C794 HydrophobicContact CD2-CB 4.03Å; F772-C794 HydrophobicContact CD2-CB 4.17Å; F772-C794 HydrophobicContact CE2-CB 3.7Å; D792-C794 PolarHBondContact O-N 3.18Å; D792-C794 VanDerWaalsContact OD1-CB 3.25Å; D792-C794 WeakPolarHBondContact OD1-CB 3.46Å; D792-C794 PolarHBondContact OD1-N 3.29Å; C794-H798 PolarHBondContact O-CE1 2.89Å; C794-H798 PolarHBondContact O-ND1 3.21Å |
| 795 | F | 92 | Very high | 81.8 | Confident | 15 Ų | 15 | 28.5 Ų | 28.5 | 7% | 0.066 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -102.5 | -53.3 | 173.8 | -179.8 | -102.7 | 0 | 0 | 0 | 111.6 | Y684 A686 L696 I716 W718 D792 P793 L797 H798 V799 | Y684-F795 HydrophobicContact CD1-CE1 4.37Å; Y684-F795 HydrophobicContact CD1-CZ 4.36Å; Y684-F795 HydrophobicContact CE1-CB 4.33Å; Y684-F795 AromaticContact CE1-CD1 3.56Å; Y684-F795 HydrophobicContact CE1-CD1 3.56Å; Y684-F795 AromaticContact CE1-CD2 3.85Å; Y684-F795 HydrophobicContact CE1-CD2 3.85Å; Y684-F795 AromaticContact CE1-CE1 3.66Å; Y684-F795 HydrophobicContact CE1-CE1 3.66Å; Y684-F795 AromaticContact CE1-CE2 3.94Å; Y684-F795 HydrophobicContact CE1-CE2 3.94Å; Y684-F795 AromaticContact CE1-CG 3.64Å; Y684-F795 HydrophobicContact CE1-CG 3.64Å; Y684-F795 AromaticContact CE1-CZ 3.84Å; Y684-F795 HydrophobicContact CE1-CZ 3.84Å; Y684-F795 AromaticContact CZ-CG 3.96Å; Y684-F795 WeakPolarHBondContact OH-CB 3.02Å; Y684-F795 WeakPolarHBondContact OH-CG 3.47Å; A686-F795 HydrophobicContact CB-CD1 3.62Å; A686-F795 HydrophobicContact CB-CE1 3.93Å; L696-F795 HydrophobicContact CD1-CB 3.99Å; L696-F795 HydrophobicContact CD1-CD2 3.77Å; L696-F795 HydrophobicContact CD1-CG 4.27Å; L696-F795 HydrophobicContact CD2-CB 3.91Å; I716-F795 HydrophobicContact CG2-CZ 4.36Å; W718-F795 AromaticContact CD2-CE1 3.6Å; W718-F795 HydrophobicContact CD2-CE1 3.6Å; W718-F795 AromaticContact CD2-CZ 3.96Å; W718-F795 HydrophobicContact CD2-CZ 3.96Å; W718-F795 AromaticContact CE2-CE1 3.77Å; W718-F795 AromaticContact CE3-CE1 3.72Å; W718-F795 HydrophobicContact CE3-CE1 3.72Å; W718-F795 AromaticContact CE3-CZ 3.81Å; W718-F795 HydrophobicContact CE3-CZ 3.81Å; W718-F795 HydrophobicContact CG-CE1 4.14Å; W718-F795 HydrophobicContact CG-CZ 4.35Å; W718-F795 HydrophobicContact CH2-CE1 4.21Å; W718-F795 HydrophobicContact CZ2-CE1 4.07Å; W718-F795 HydrophobicContact CZ3-CE1 4.04Å; W718-F795 HydrophobicContact CZ3-CZ 4.34Å; D792-F795 PolarHBondContact O-N 3.04Å; D792-F795 VanDerWaalsContact O-N 3.08Å; P793-F795 PolarHBondContact O-N 3.45Å; F795-L797 PolarHBondContact O-N 3.25Å; F795-H798 WeakPolarHBondContact O-CB 3.37Å; F795-H798 PolarHBondContact O-N 2.99Å; F795-V799 HydrophobicContact CD1-CG2 3.93Å; F795-V799 HydrophobicContact CD2-CG2 4.32Å; F795-V799 HydrophobicContact CE1-CG2 3.5Å; F795-V799 HydrophobicContact CE2-CG2 3.93Å; F795-V799 HydrophobicContact CG-CG2 4.33Å; F795-V799 HydrophobicContact CZ-CG2 3.5Å; F795-V799 PolarHBondContact O-N 2.75Å; F795-V799 VanDerWaalsContact O-N 3.07Å |
| 796 | I | 94.6 | Very high | 84 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.7 | -41 | -172 | -66.7 | -54 | 0 | 0 | 0 | 112.8 | A686 W718 L753 L758 Y791 D792 H798 V799 L800 Y836 | A686-I796 HydrophobicContact CB-CD1 3.82Å; A686-I796 HydrophobicContact CB-CG1 4.44Å; W718-I796 HydrophobicContact CH2-CD1 4.3Å; W718-I796 HydrophobicContact CZ2-CD1 3.77Å; L753-I796 HydrophobicContact CD2-CD1 3.91Å; L758-I796 HydrophobicContact CD1-CG2 4.05Å; Y791-I796 HydrophobicContact CD1-CD1 4.16Å; Y791-I796 HydrophobicContact CD1-CG1 4.14Å; Y791-I796 HydrophobicContact CG-CD1 4.45Å; Y791-I796 HydrophobicContact CG-CG1 4.04Å; D792-I796 PolarHBondContact O-N 3.17Å; I796-H798 VanDerWaalsContact C-N 3.25Å; I796-H798 PolarHBondContact O-N 3.26Å; I796-V799 PolarHBondContact O-N 2.94Å; I796-L800 HydrophobicContact CG2-CD1 3.96Å; I796-L800 HydrophobicContact CG2-CG 4.07Å; I796-L800 VanDerWaalsContact O-CG 3.29Å; I796-L800 WeakPolarHBondContact O-CG 3.38Å; I796-L800 PolarHBondContact O-N 2.89Å; I796-Y836 HydrophobicContact CB-CD1 4.43Å; I796-Y836 HydrophobicContact CB-CE1 3.74Å; I796-Y836 HydrophobicContact CG2-CD1 3.62Å; I796-Y836 HydrophobicContact CG2-CE1 3.42Å; I796-Y836 VanDerWaalsContact CG2-CE1 3.42Å |
| 797 | L | 94.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62 | -36 | 178.3 | -65.5 | 176.1 | 0 | 0 | 0 | 111.7 | F765 P793 F795 Y801 Y836 M848 M851 I855 | F765-L797 HydrophobicContact CZ-CD1 4.48Å; P793-L797 HydrophobicContact CB-CD1 4.05Å; P793-L797 HydrophobicContact CB-CG 4.28Å; P793-L797 WeakPolarHBondContact O-CB 3.24Å; P793-L797 WeakPolarHBondContact O-CG 3.48Å; P793-L797 PolarHBondContact O-N 3.12Å; F795-L797 PolarHBondContact O-N 3.25Å; L797-Y801 WeakPolarHBondContact O-CB 3.4Å; L797-Y801 PolarHBondContact O-N 3.2Å; L797-Y836 HydrophobicContact CD2-CD1 3.97Å; L797-Y836 HydrophobicContact CD2-CE1 4.09Å; L797-Y836 HydrophobicContact CG-CE1 4.28Å; L797-M848 HydrophobicContact CD1-CB 4.25Å; L797-M848 HydrophobicContact CD1-CG 4.38Å; L797-M851 HydrophobicContact CB-CG 3.94Å; L797-I855 HydrophobicContact CB-CD1 4Å; L797-I855 HydrophobicContact CD2-CD1 3.87Å; L797-I855 WeakPolarHBondContact O-CD1 3.25Å |
| 798 | H | 91.2 | Very high | 86.6 | Confident | 68 Ų | 68 | 22.4 Ų | 22.4 | 32% | 0.315 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -68.7 | -43.1 | 176.4 | -66.8 | 88.8 | 0 | 0 | 0 | 112.7 | W771 C794 F795 I796 Y801 Y802 M851 | W771-H798 AromaticContact CH2-CE1 2.89Å; W771-H798 WeakPolarHBondContact CH2-CE1 3.35Å; W771-H798 AromaticContact CH2-NE2 2.92Å; W771-H798 WeakPolarHBondContact CH2-NE2 3.4Å; W771-H798 AromaticContact CZ2-CE1 3.46Å; W771-H798 VanDerWaalsContact CZ2-CE1 3.46Å; W771-H798 WeakPolarHBondContact CZ2-CE1 3.46Å; W771-H798 AromaticContact CZ2-NE2 3.24Å; W771-H798 WeakPolarHBondContact CZ2-NE2 3.48Å; W771-H798 AromaticContact CZ3-CE1 3.32Å; W771-H798 WeakPolarHBondContact CZ3-CE1 3.4Å; W771-H798 AromaticContact CZ3-NE2 3.85Å; C794-H798 PolarHBondContact O-CE1 2.89Å; C794-H798 PolarHBondContact O-ND1 3.21Å; F795-H798 WeakPolarHBondContact O-CB 3.37Å; F795-H798 PolarHBondContact O-N 2.99Å; I796-H798 VanDerWaalsContact C-N 3.25Å; I796-H798 PolarHBondContact O-N 3.26Å; H798-Y801 PolarHBondContact O-N 3.43Å; H798-Y802 VanDerWaalsContact O-CB 3.31Å; H798-Y802 WeakPolarHBondContact O-CB 3.48Å; H798-Y802 PolarHBondContact O-N 3.26Å; H798-M851 HydrophobicContact CB-CE 4.22Å |
| 799 | V | 91.7 | Very high | 86.7 | Confident | 3 Ų | 3 | 24.5 Ų | 24.5 | 2% | 0.018 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.4 | -49.2 | 175.9 | 174.6 | 0 | 0 | 0 | 0 | 110.2 | W718 L749 F795 I796 Y801 Y802 Y803 | W718-V799 HydrophobicContact CH2-CB 4.48Å; W718-V799 HydrophobicContact CH2-CG1 3.75Å; W718-V799 HydrophobicContact CH2-CG2 4.42Å; W718-V799 HydrophobicContact CZ3-CB 4.43Å; W718-V799 HydrophobicContact CZ3-CG1 3.62Å; W718-V799 HydrophobicContact CZ3-CG2 4.09Å; L749-V799 HydrophobicContact CD1-CG1 3.67Å; F795-V799 HydrophobicContact CD1-CG2 3.93Å; F795-V799 HydrophobicContact CD2-CG2 4.32Å; F795-V799 HydrophobicContact CE1-CG2 3.5Å; F795-V799 HydrophobicContact CE2-CG2 3.93Å; F795-V799 HydrophobicContact CG-CG2 4.33Å; F795-V799 HydrophobicContact CZ-CG2 3.5Å; F795-V799 PolarHBondContact O-N 2.75Å; F795-V799 VanDerWaalsContact O-N 3.07Å; I796-V799 PolarHBondContact O-N 2.94Å; V799-Y801 VanDerWaalsContact C-N 3.31Å; V799-Y801 PolarHBondContact O-N 2.99Å; V799-Y802 PolarHBondContact O-N 3.32Å; V799-Y802 VanDerWaalsContact O-N 3.13Å; V799-Y803 HydrophobicContact CG1-CD2 3.64Å; V799-Y803 HydrophobicContact CG1-CE2 3.65Å; V799-Y803 WeakPolarHBondContact O-CD2 3.28Å; V799-Y803 PolarHBondContact O-N 3.13Å |
| 800 | L | 94.7 | Very high | 86.2 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59 | -42.6 | 179.5 | -67.7 | -178.1 | 0 | 0 | 0 | 112.3 | L749 L753 I796 L804 F828 C833 Y836 I855 | L749-L800 HydrophobicContact CD1-CD2 4.46Å; L749-L800 HydrophobicContact CD2-CD2 4.16Å; L753-L800 HydrophobicContact CD1-CD2 4.08Å; I796-L800 HydrophobicContact CG2-CD1 3.96Å; I796-L800 HydrophobicContact CG2-CG 4.07Å; I796-L800 VanDerWaalsContact O-CG 3.29Å; I796-L800 WeakPolarHBondContact O-CG 3.38Å; I796-L800 PolarHBondContact O-N 2.89Å; L800-L804 WeakPolarHBondContact O-CB 3.03Å; L800-L804 WeakPolarHBondContact O-CG 3.25Å; L800-L804 PolarHBondContact O-N 3.11Å; L800-L804 VanDerWaalsContact O-N 3.1Å; L800-F828 HydrophobicContact CB-CE2 4.24Å; L800-F828 HydrophobicContact CB-CZ 4.15Å; L800-F828 HydrophobicContact CD1-CZ 4.42Å; L800-F828 HydrophobicContact CD2-CE2 3.82Å; L800-F828 HydrophobicContact CD2-CZ 4.13Å; L800-F828 HydrophobicContact CG-CZ 4.46Å; L800-C833 HydrophobicContact CD1-CB 4.05Å; L800-C833 HydrophobicContact CD2-CB 3.74Å; L800-Y836 HydrophobicContact CD1-CD1 4.26Å; L800-I855 HydrophobicContact CB-CD1 4.26Å |
| 801 | Y | 93.7 | Very high | 85 | Confident | 68 Ų | 68 | 25.7 Ų | 25.7 | 27% | 0.267 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -61.7 | -47.9 | 173.7 | 169.7 | -95.5 | 0 | 0 | 0 | 112 | L797 H798 V799 Y803 L804 Q805 M851 T854 M858 | L797-Y801 WeakPolarHBondContact O-CB 3.4Å; L797-Y801 PolarHBondContact O-N 3.2Å; H798-Y801 PolarHBondContact O-N 3.43Å; V799-Y801 VanDerWaalsContact C-N 3.31Å; V799-Y801 PolarHBondContact O-N 2.99Å; Y801-Y803 PolarHBondContact O-N 3.46Å; Y801-L804 PolarHBondContact O-N 3.05Å; Y801-Q805 VanDerWaalsContact CZ-OE1 3.3Å; Y801-Q805 WeakPolarHBondContact O-CB 3.36Å; Y801-Q805 PolarHBondContact O-N 2.97Å; Y801-Q805 PolarHBondContact OH-OE1 2.69Å; Y801-Q805 VanDerWaalsContact OH-OE1 3.04Å; Y801-M851 HydrophobicContact CD1-CE 3.68Å; Y801-M851 HydrophobicContact CD2-CE 4.2Å; Y801-M851 HydrophobicContact CD2-SD 4.38Å; Y801-M851 HydrophobicContact CG-CE 3.44Å; Y801-M851 VanDerWaalsContact CG-CE 3.44Å; Y801-M851 HydrophobicContact CG-SD 4.18Å; Y801-T854 HydrophobicContact CD2-CG2 3.84Å; Y801-T854 HydrophobicContact CE2-CG2 3.56Å; Y801-M858 HydrophobicContact CD2-SD 3.53Å; Y801-M858 VanDerWaalsContact CD2-SD 3.53Å; Y801-M858 HydrophobicContact CE2-CE 4.38Å; Y801-M858 HydrophobicContact CE2-SD 3.33Å; Y801-M858 WeakPolarHBondContact CE2-SD 3.43Å |
| 802 | Y | 89.3 | Confident | 83.3 | Confident | 48 Ų | 48 | 32.6 Ų | 32.6 | 19% | 0.188 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.9 | -45.7 | -178 | -175.9 | -106.5 | 0 | 0 | 0 | 111.7 | T711 R714 I716 H798 V799 L804 Q805 C806 | T711-Y802 HydrophobicContact CG2-CE2 4.26Å; R714-Y802 VanDerWaalsContact O-CE1 3.25Å; R714-Y802 WeakPolarHBondContact O-CE1 3.29Å; R714-Y802 PolarHBondContact O-OH 3.09Å; I716-Y802 HydrophobicContact CD1-CD1 3.83Å; I716-Y802 HydrophobicContact CD1-CE1 4.1Å; I716-Y802 HydrophobicContact CD1-CG 4.31Å; I716-Y802 HydrophobicContact CG1-CD1 4.04Å; I716-Y802 HydrophobicContact CG1-CE1 3.96Å; H798-Y802 VanDerWaalsContact O-CB 3.31Å; H798-Y802 WeakPolarHBondContact O-CB 3.48Å; H798-Y802 PolarHBondContact O-N 3.26Å; V799-Y802 PolarHBondContact O-N 3.32Å; V799-Y802 VanDerWaalsContact O-N 3.13Å; Y802-L804 PolarHBondContact O-N 3.38Å; Y802-Q805 WeakPolarHBondContact O-CB 3.41Å; Y802-Q805 PolarHBondContact O-N 3.12Å; Y802-Q805 VanDerWaalsContact O-N 3.12Å; Y802-C806 PolarHBondContact O-N 3.23Å; Y802-C806 PolarHBondContact O-SG 3.21Å; Y802-C806 VanDerWaalsContact O-SG 3.41Å |
| 803 | Y | 91 | Very high | 81.4 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.6 | -39.6 | 175.5 | -85.9 | -99 | 0 | 0 | 0 | 112.5 | Y715 I716 V746 T748 L749 V799 Y801 Q805 F807 | Y715-Y803 AromaticContact CD1-CD1 3.53Å; Y715-Y803 HydrophobicContact CD1-CD1 3.53Å; Y715-Y803 AromaticContact CD1-CE1 3.3Å; Y715-Y803 HydrophobicContact CD1-CE1 3.3Å; Y715-Y803 HydrophobicContact CD1-CG 4.28Å; Y715-Y803 AromaticContact CD1-CZ 3.92Å; Y715-Y803 AromaticContact CE1-CD1 3.88Å; Y715-Y803 HydrophobicContact CE1-CD1 3.88Å; Y715-Y803 HydrophobicContact CE1-CE1 4.06Å; Y715-Y803 AromaticContact CG-CE1 3.94Å; Y715-Y803 HydrophobicContact CG-CE1 3.94Å; I716-Y803 PolarHBondContact O-OH 2.8Å; V746-Y803 HydrophobicContact CG2-CD1 4.14Å; T748-Y803 PolarHBondContact OG1-OH 3.5Å; L749-Y803 HydrophobicContact CB-CD1 3.72Å; L749-Y803 HydrophobicContact CB-CE1 3.52Å; L749-Y803 HydrophobicContact CB-CE2 4.32Å; L749-Y803 HydrophobicContact CB-CG 4.21Å; L749-Y803 HydrophobicContact CD1-CD2 4.04Å; L749-Y803 HydrophobicContact CD1-CE2 4.02Å; L749-Y803 HydrophobicContact CD1-CG 4.36Å; L749-Y803 HydrophobicContact CD2-CD1 4.03Å; L749-Y803 HydrophobicContact CD2-CD2 4.33Å; L749-Y803 HydrophobicContact CD2-CG 3.84Å; L749-Y803 HydrophobicContact CG-CD1 4.35Å; L749-Y803 HydrophobicContact CG-CE1 4.48Å; L749-Y803 HydrophobicContact CG-CG 4.36Å; V799-Y803 HydrophobicContact CG1-CD2 3.64Å; V799-Y803 HydrophobicContact CG1-CE2 3.65Å; V799-Y803 WeakPolarHBondContact O-CD2 3.28Å; V799-Y803 PolarHBondContact O-N 3.13Å; Y801-Y803 PolarHBondContact O-N 3.46Å; Y803-Q805 VanDerWaalsContact C-N 3.28Å; Y803-Q805 PolarHBondContact O-N 2.83Å; Y803-F807 WeakPolarHBondContact O-CB 3.4Å; Y803-F807 PolarHBondContact O-N 3.46Å; Y803-F807 VanDerWaalsContact O-N 3.08Å |
| 804 | L | 90.3 | Very high | 79.2 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.1 | -29.3 | 173.5 | -78.8 | 167.6 | 0 | 0 | 0 | 113 | L800 Y801 Y802 P808 F824 L825 F828 I855 M858 Y859 L862 | L800-L804 WeakPolarHBondContact O-CB 3.03Å; L800-L804 WeakPolarHBondContact O-CG 3.25Å; L800-L804 PolarHBondContact O-N 3.11Å; L800-L804 VanDerWaalsContact O-N 3.1Å; Y801-L804 PolarHBondContact O-N 3.05Å; Y802-L804 PolarHBondContact O-N 3.38Å; L804-P808 VanDerWaalsContact O-CD 3.28Å; L804-P808 WeakPolarHBondContact O-CD 3.45Å; L804-F824 HydrophobicContact CD2-CE1 3.94Å; L804-L825 HydrophobicContact CD2-CD2 4.5Å; L804-F828 HydrophobicContact CD1-CE1 4.3Å; L804-F828 HydrophobicContact CD1-CE2 3.87Å; L804-F828 HydrophobicContact CD1-CZ 3.62Å; L804-F828 HydrophobicContact CD2-CD2 4.39Å; L804-F828 HydrophobicContact CD2-CE2 4.24Å; L804-F828 HydrophobicContact CG-CD2 4.41Å; L804-F828 HydrophobicContact CG-CE2 3.83Å; L804-F828 HydrophobicContact CG-CZ 4.11Å; L804-I855 HydrophobicContact CD1-CB 4.48Å; L804-I855 HydrophobicContact CD1-CG2 3.74Å; L804-M858 HydrophobicContact CB-CE 4.08Å; L804-Y859 HydrophobicContact CD2-CD2 4.41Å; L804-L862 HydrophobicContact CD2-CD1 3.98Å |
| 805 | Q | 86.5 | Confident | 77.1 | Confident | 85 Ų | 85 | 50.5 Ų | 50.5 | 40% | 0.397 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -76.8 | -42.1 | 177.6 | -175.2 | 179.5 | -13.4 | 0 | 0 | 112.3 | Y801 Y802 Y803 P808 M858 | Y801-Q805 VanDerWaalsContact CZ-OE1 3.3Å; Y801-Q805 WeakPolarHBondContact O-CB 3.36Å; Y801-Q805 PolarHBondContact O-N 2.97Å; Y801-Q805 PolarHBondContact OH-OE1 2.69Å; Y801-Q805 VanDerWaalsContact OH-OE1 3.04Å; Y802-Q805 WeakPolarHBondContact O-CB 3.41Å; Y802-Q805 PolarHBondContact O-N 3.12Å; Y802-Q805 VanDerWaalsContact O-N 3.12Å; Y803-Q805 VanDerWaalsContact C-N 3.28Å; Y803-Q805 PolarHBondContact O-N 2.83Å; Q805-P808 WeakPolarHBondContact O-CD 3.45Å; Q805-M858 HydrophobicContact CB-CE 3.95Å |
| 806 | C | 79.9 | Confident | 74.8 | Confident | 9 Ų | 9 | 54.3 Ų | 54.3 | 6% | 0.061 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -76.2 | -28.4 | -179.2 | -66.5 | 0 | 0 | 0 | 0 | 112.9 | Y715 Y802 E809 | Y715-C806 HydrophobicContact CE1-CB 3.95Å; Y802-C806 PolarHBondContact O-N 3.23Å; Y802-C806 PolarHBondContact O-SG 3.21Å; Y802-C806 VanDerWaalsContact O-SG 3.41Å; C806-E809 WeakPolarHBondContact O-CB 3.39Å; C806-E809 PolarHBondContact O-N 3.15Å |
| 807 | F | 77.5 | Confident | 72.7 | Confident | 13 Ų | 13 | 58.8 Ų | 58.8 | 6% | 0.057 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -55.6 | -44 | -175.5 | 163.4 | -97.6 | 0 | 0 | 0 | 115.4 | V746 Y803 E809 D810 C811 P821 F824 L862 | V746-F807 HydrophobicContact CG2-CB 4.36Å; V746-F807 HydrophobicContact CG2-CD2 4.29Å; Y803-F807 WeakPolarHBondContact O-CB 3.4Å; Y803-F807 PolarHBondContact O-N 3.46Å; Y803-F807 VanDerWaalsContact O-N 3.08Å; F807-E809 VanDerWaalsContact C-N 3.32Å; F807-E809 PolarHBondContact O-N 3.27Å; F807-D810 PolarHBondContact O-N 3.04Å; F807-C811 WeakPolarHBondContact CZ-SG 3.32Å; F807-C811 PolarHBondContact O-SG 3.33Å; F807-C811 VanDerWaalsContact O-SG 3.41Å; F807-P821 HydrophobicContact CE2-CB 4.48Å; F807-P821 HydrophobicContact CZ-CB 3.65Å; F807-P821 HydrophobicContact CZ-CG 4.21Å; F807-F824 HydrophobicContact CB-CD1 4.23Å; F807-F824 HydrophobicContact CB-CE1 3.96Å; F807-F824 HydrophobicContact CB-CZ 4.32Å; F807-F824 AromaticContact CD1-CD1 3.89Å; F807-F824 HydrophobicContact CD1-CD1 3.89Å; F807-F824 HydrophobicContact CD1-CE1 4.16Å; F807-F824 HydrophobicContact CD2-CB 3.89Å; F807-F824 AromaticContact CD2-CD1 3.51Å; F807-F824 HydrophobicContact CD2-CD1 3.51Å; F807-F824 HydrophobicContact CD2-CD2 4.24Å; F807-F824 HydrophobicContact CD2-CE1 4.1Å; F807-F824 AromaticContact CD2-CG 3.59Å; F807-F824 HydrophobicContact CD2-CG 3.59Å; F807-F824 HydrophobicContact CE1-CD1 4.25Å; F807-F824 HydrophobicContact CE2-CB 3.65Å; F807-F824 AromaticContact CE2-CD1 3.91Å; F807-F824 HydrophobicContact CE2-CD1 3.91Å; F807-F824 AromaticContact CE2-CG 3.89Å; F807-F824 HydrophobicContact CE2-CG 3.89Å; F807-F824 AromaticContact CG-CD1 3.54Å; F807-F824 HydrophobicContact CG-CD1 3.54Å; F807-F824 AromaticContact CG-CE1 3.75Å; F807-F824 HydrophobicContact CG-CE1 3.75Å; F807-F824 HydrophobicContact CG-CG 4.11Å; F807-F824 HydrophobicContact CG-CZ 4.48Å; F807-F824 HydrophobicContact CZ-CB 4.34Å; F807-F824 HydrophobicContact CZ-CD1 4.3Å; F807-L862 HydrophobicContact CD1-CD1 4.09Å |
| 808 | P | 69.2 | Low | 70.6 | Confident | 41 Ų | 41 | 63.9 Ų | 63.9 | 27% | 0.266 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.9 | -36 | 177.2 | -24.4 | 35.3 | 0 | 0 | 0 | 113.9 | L804 Q805 D810 C811 E812 L862 | L804-P808 VanDerWaalsContact O-CD 3.28Å; L804-P808 WeakPolarHBondContact O-CD 3.45Å; Q805-P808 WeakPolarHBondContact O-CD 3.45Å; P808-D810 VanDerWaalsContact C-N 3.3Å; P808-D810 PolarHBondContact O-N 2.78Å; P808-C811 WeakPolarHBondContact O-CB 3.35Å; P808-C811 PolarHBondContact O-N 3.09Å; P808-C811 VanDerWaalsContact O-N 3.1Å; P808-E812 PolarHBondContact O-N 3.49Å; P808-L862 HydrophobicContact CG-CD2 3.84Å |
| 809 | E | 63.3 | Low | 68.7 | Low | 92 Ų | 92 | 63.6 Ų | 63.6 | 43% | 0.43 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.1 | -33.4 | -178.4 | -60.2 | 176.4 | 173.4 | 0 | 0 | 112.3 | R714 C806 F807 C811 Q813 | R714-E809 VanDerWaalsContact NH2-CB 3.28Å; R714-E809 IonicContact NH2-OE2 2.77Å; R714-E809 PolarHBondContact NH2-OE2 3.17Å; C806-E809 WeakPolarHBondContact O-CB 3.39Å; C806-E809 PolarHBondContact O-N 3.15Å; F807-E809 VanDerWaalsContact C-N 3.32Å; F807-E809 PolarHBondContact O-N 3.27Å; E809-C811 VanDerWaalsContact C-N 3.29Å; E809-Q813 WeakPolarHBondContact O-CG 3.39Å; E809-Q813 PolarHBondContact O-N 2.86Å |
| 810 | D | 59.5 | Low | 67.4 | Low | 38 Ų | 38 | 69.5 Ų | 69.5 | 20% | 0.203 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -71.4 | -25.7 | 175.6 | -86.6 | -8.6 | 0 | 0 | 0 | 112.8 | R714 Y715 F807 P808 N814 | R714-D810 IonicContact CZ-OD1 3.6Å; R714-D810 IonicContact NE-OD1 3.48Å; R714-D810 PolarHBondContact NE-OD1 3.07Å; R714-D810 IonicContact NH1-OD1 3.69Å; R714-D810 PolarHBondContact NH1-OD1 3.48Å; R714-D810 IonicContact NH2-OD1 3.72Å; R714-D810 PolarHBondContact NH2-OD1 3.23Å; Y715-D810 PolarHBondContact OH-OD2 3.16Å; F807-D810 PolarHBondContact O-N 3.04Å; P808-D810 VanDerWaalsContact C-N 3.3Å; P808-D810 PolarHBondContact O-N 2.78Å; D810-N814 PolarHBondContact O-N 3.37Å; D810-N814 PolarHBondContact O-ND2 3.48Å; D810-N814 VanDerWaalsContact O-ND2 3.09Å |
| 811 | C | 59.6 | Low | 66.1 | Low | 44 Ų | 44 | 71 Ų | 71 | 30% | 0.297 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -77.1 | -37.1 | 177.4 | -60.7 | 0 | 0 | 0 | 0 | 111.3 | F807 P808 E809 N814 | F807-C811 WeakPolarHBondContact CZ-SG 3.32Å; F807-C811 PolarHBondContact O-SG 3.33Å; F807-C811 VanDerWaalsContact O-SG 3.41Å; P808-C811 WeakPolarHBondContact O-CB 3.35Å; P808-C811 PolarHBondContact O-N 3.09Å; P808-C811 VanDerWaalsContact O-N 3.1Å; E809-C811 VanDerWaalsContact C-N 3.29Å; C811-N814 CarbonylContact O-C 3.29Å |
| 812 | E | 55.7 | Low | 65.1 | Low | 153 Ų | 153 | 68.2 Ų | 68.2 | 72% | 0.715 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -70.5 | -34.9 | 176.8 | -69.4 | -176.4 | 176.2 | 0 | 0 | 112.6 | P808 N814 | P808-E812 PolarHBondContact O-N 3.49Å; E812-N814 VanDerWaalsContact C-N 3.33Å |
| 813 | Q | 52 | Low | 64.6 | Low | 133 Ų | 133 | 71.1 Ų | 71.1 | 62% | 0.621 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -72.6 | -25.4 | 177.4 | -71.5 | 177.9 | -7.2 | 0 | 0 | 113.2 | R714 E809 | R714-Q813 VanDerWaalsContact NH1-OE1 3.15Å; E809-Q813 WeakPolarHBondContact O-CG 3.39Å; E809-Q813 PolarHBondContact O-N 2.86Å |
| 814 | N | 46.9 | Very low | 64.5 | Low | 89 Ų | 89 | 71.2 Ų | 71.2 | 48% | 0.476 | 38% | 0.377 | S | S | . | . | trans | -114.6 | 77.7 | -176.8 | -67.7 | -57.3 | 0 | 0 | 0 | 110.9 | D810 C811 E812 S816 | D810-N814 PolarHBondContact O-N 3.37Å; D810-N814 PolarHBondContact O-ND2 3.48Å; D810-N814 VanDerWaalsContact O-ND2 3.09Å; C811-N814 CarbonylContact O-C 3.29Å; E812-N814 VanDerWaalsContact C-N 3.33Å; N814-S816 PolarHBondContact O-N 3.03Å | ||
| 815 | N | 45.6 | Very low | 64.4 | Low | 161 Ų | 161 | 71.4 Ų | 71.4 | 86% | 0.861 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 11.6 | -173.9 | -92.5 | -21.1 | 0 | 0 | 0 | 117.8 | ||
| 816 | S | 43.9 | Very low | 64.6 | Low | 94 Ų | 94 | 71.1 Ų | 71.1 | 66% | 0.657 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.8 | 0.5 | -164.4 | 62.8 | 0 | 0 | 0 | 0 | 118.9 | N814 | N814-S816 PolarHBondContact O-N 3.03Š|
| 817 | N | 50.3 | Low | 65.1 | Low | 95 Ų | 95 | 74.5 Ų | 74.5 | 51% | 0.508 | 39% | 0.391 | S | S | . | . | trans | -149.1 | 99.9 | -179.2 | -84.6 | -50.1 | 0 | 0 | 0 | 115.4 | V819 K820 P821 | N817-V819 PolarHBondContact O-N 3.29Å; N817-V819 VanDerWaalsContact O-N 3.08Å; N817-K820 PolarHBondContact O-N 3.02Å; N817-P821 WeakPolarHBondContact O-CD 3.47Å | ||
| 818 | V | 49.9 | Very low | 65.9 | Low | 108 Ų | 108 | 73.9 Ų | 73.9 | 66% | 0.655 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -21.3 | 170.9 | -177.4 | 0 | 0 | 0 | 0 | 112.6 | P821 | V818-P821 VanDerWaalsContact O-CD 3.28Å; V818-P821 WeakPolarHBondContact O-CD 3.1Å |
| 819 | V | 53.1 | Low | 67 | Low | 61 Ų | 61 | 72.4 Ų | 72.4 | 37% | 0.37 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67 | -37.8 | -177.6 | -176.2 | 0 | 0 | 0 | 0 | 112.9 | N817 V822 Q823 | N817-V819 PolarHBondContact O-N 3.29Å; N817-V819 VanDerWaalsContact O-N 3.08Å; V819-V822 PolarHBondContact O-N 3.43Å; V819-Q823 HydrophobicContact CG1-CG 4.39Å; V819-Q823 WeakPolarHBondContact O-CG 3.44Å; V819-Q823 PolarHBondContact O-N 2.92Å |
| 820 | K | 63.6 | Low | 68.3 | Low | 127 Ų | 127 | 71.5 Ų | 71.5 | 55% | 0.552 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -62.6 | -44 | -176.7 | -70.8 | -176.4 | 179.1 | -179.6 | 0 | 112.7 | N817 V822 Q823 F824 | N817-K820 PolarHBondContact O-N 3.02Å; K820-V822 PolarHBondContact O-N 2.9Å; K820-Q823 PolarHBondContact O-N 3.4Å; K820-F824 PolarHBondContact O-N 2.78Å |
| 821 | P | 66.3 | Low | 69.9 | Low | 33 Ų | 33 | 71.6 Ų | 71.6 | 21% | 0.214 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -55.5 | -45.2 | 175.9 | -28.3 | 27.6 | 0 | 0 | 0 | 116.4 | F807 N817 V818 Q823 F824 L825 | F807-P821 HydrophobicContact CE2-CB 4.48Å; F807-P821 HydrophobicContact CZ-CB 3.65Å; F807-P821 HydrophobicContact CZ-CG 4.21Å; N817-P821 WeakPolarHBondContact O-CD 3.47Å; V818-P821 VanDerWaalsContact O-CD 3.28Å; V818-P821 WeakPolarHBondContact O-CD 3.1Å; P821-Q823 VanDerWaalsContact C-N 3.33Å; P821-Q823 PolarHBondContact O-N 3.22Å; P821-F824 PolarHBondContact O-N 2.88Å; P821-L825 PolarHBondContact O-N 3Å; P821-L825 VanDerWaalsContact O-N 3.15Å |
| 822 | V | 73.1 | Confident | 71.6 | Confident | 9 Ų | 9 | 69.7 Ų | 69.7 | 6% | 0.055 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.7 | -41.4 | -176 | -174.5 | 0 | 0 | 0 | 0 | 110.4 | V819 K820 F824 L825 K826 Y866 H890 F891 | V819-V822 PolarHBondContact O-N 3.43Å; K820-V822 PolarHBondContact O-N 2.9Å; V822-F824 VanDerWaalsContact C-N 3.29Å; V822-F824 PolarHBondContact O-N 3.31Å; V822-L825 PolarHBondContact O-N 3.45Å; V822-K826 WeakPolarHBondContact O-CB 3.06Å; V822-K826 PolarHBondContact O-N 2.98Å; V822-Y866 HydrophobicContact CB-CE2 4.35Å; V822-Y866 HydrophobicContact CG1-CE2 4.39Å; V822-Y866 WeakPolarHBondContact CG1-OH 3.26Å; V822-Y866 HydrophobicContact CG2-CD2 3.81Å; V822-Y866 HydrophobicContact CG2-CE2 3.12Å; V822-Y866 VanDerWaalsContact CG2-CZ 3.5Å; V822-Y866 WeakPolarHBondContact CG2-OH 3.49Å; V822-H890 HydrophobicContact CG1-CB 4Å; V822-F891 HydrophobicContact CG1-CB 3.69Å |
| 823 | Q | 80.3 | Confident | 73.6 | Confident | 108 Ų | 108 | 62.4 Ų | 62.4 | 51% | 0.505 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.5 | -40.8 | 177.3 | -72.2 | 179.8 | -7 | 0 | 0 | 111.4 | V819 K820 P821 M827 | V819-Q823 HydrophobicContact CG1-CG 4.39Å; V819-Q823 WeakPolarHBondContact O-CG 3.44Å; V819-Q823 PolarHBondContact O-N 2.92Å; K820-Q823 PolarHBondContact O-N 3.4Å; P821-Q823 VanDerWaalsContact C-N 3.33Å; P821-Q823 PolarHBondContact O-N 3.22Å; Q823-M827 WeakPolarHBondContact O-CB 3.49Å; Q823-M827 PolarHBondContact O-N 3.06Å |
| 824 | F | 87 | Confident | 75.7 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.009 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.4 | -51.4 | 176.9 | 177.3 | -99.7 | 0 | 0 | 0 | 112.3 | V746 F750 L804 F807 K820 P821 V822 K826 M827 F828 | V746-F824 HydrophobicContact CB-CD2 4.5Å; V746-F824 HydrophobicContact CG1-CD2 4.21Å; V746-F824 HydrophobicContact CG2-CD2 3.56Å; V746-F824 HydrophobicContact CG2-CE2 3.4Å; V746-F824 HydrophobicContact CG2-CG 4.43Å; V746-F824 HydrophobicContact CG2-CZ 4.14Å; F750-F824 HydrophobicContact CE1-CE2 4.49Å; F750-F824 AromaticContact CE2-CD2 3.58Å; F750-F824 HydrophobicContact CE2-CD2 3.58Å; F750-F824 AromaticContact CE2-CE2 3.84Å; F750-F824 HydrophobicContact CE2-CE2 3.84Å; F750-F824 AromaticContact CZ-CD2 3.57Å; F750-F824 HydrophobicContact CZ-CD2 3.57Å; F750-F824 AromaticContact CZ-CE2 3.48Å; F750-F824 HydrophobicContact CZ-CE2 3.48Å; F750-F824 VanDerWaalsContact CZ-CE2 3.48Å; F750-F824 HydrophobicContact CZ-CG 4.45Å; F750-F824 HydrophobicContact CZ-CZ 4.33Å; L804-F824 HydrophobicContact CD2-CE1 3.94Å; F807-F824 HydrophobicContact CB-CD1 4.23Å; F807-F824 HydrophobicContact CB-CE1 3.96Å; F807-F824 HydrophobicContact CB-CZ 4.32Å; F807-F824 AromaticContact CD1-CD1 3.89Å; F807-F824 HydrophobicContact CD1-CD1 3.89Å; F807-F824 HydrophobicContact CD1-CE1 4.16Å; F807-F824 HydrophobicContact CD2-CB 3.89Å; F807-F824 AromaticContact CD2-CD1 3.51Å; F807-F824 HydrophobicContact CD2-CD1 3.51Å; F807-F824 HydrophobicContact CD2-CD2 4.24Å; F807-F824 HydrophobicContact CD2-CE1 4.1Å; F807-F824 AromaticContact CD2-CG 3.59Å; F807-F824 HydrophobicContact CD2-CG 3.59Å; F807-F824 HydrophobicContact CE1-CD1 4.25Å; F807-F824 HydrophobicContact CE2-CB 3.65Å; F807-F824 AromaticContact CE2-CD1 3.91Å; F807-F824 HydrophobicContact CE2-CD1 3.91Å; F807-F824 AromaticContact CE2-CG 3.89Å; F807-F824 HydrophobicContact CE2-CG 3.89Å; F807-F824 AromaticContact CG-CD1 3.54Å; F807-F824 HydrophobicContact CG-CD1 3.54Å; F807-F824 AromaticContact CG-CE1 3.75Å; F807-F824 HydrophobicContact CG-CE1 3.75Å; F807-F824 HydrophobicContact CG-CG 4.11Å; F807-F824 HydrophobicContact CG-CZ 4.48Å; F807-F824 HydrophobicContact CZ-CB 4.34Å; F807-F824 HydrophobicContact CZ-CD1 4.3Å; K820-F824 PolarHBondContact O-N 2.78Å; P821-F824 PolarHBondContact O-N 2.88Å; V822-F824 VanDerWaalsContact C-N 3.29Å; V822-F824 PolarHBondContact O-N 3.31Å; F824-K826 VanDerWaalsContact C-N 3.34Å; F824-K826 PolarHBondContact O-N 3.17Å; F824-M827 PolarHBondContact O-N 3.37Å; F824-F828 HydrophobicContact CE1-CD2 4.47Å; F824-F828 HydrophobicContact CZ-CD2 4.16Å; F824-F828 WeakPolarHBondContact O-CB 3.43Å; F824-F828 PolarHBondContact O-N 3.05Å |
| 825 | L | 89.6 | Confident | 78.1 | Confident | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 179.8 | -67 | 178.4 | 0 | 0 | 0 | 112 | L804 P821 V822 F828 Y829 Y859 L862 F891 | L804-L825 HydrophobicContact CD2-CD2 4.5Å; P821-L825 PolarHBondContact O-N 3Å; P821-L825 VanDerWaalsContact O-N 3.15Å; V822-L825 PolarHBondContact O-N 3.45Å; L825-F828 WeakPolarHBondContact O-CB 3.47Å; L825-F828 PolarHBondContact O-N 3.39Å; L825-Y829 PolarHBondContact O-N 2.88Å; L825-Y859 HydrophobicContact CB-CE2 4.17Å; L825-Y859 HydrophobicContact CD2-CD2 3.86Å; L825-Y859 HydrophobicContact CD2-CE2 3.83Å; L825-Y859 PolarHBondContact O-OH 2.95Å; L825-L862 HydrophobicContact CD1-CB 4.15Å; L825-L862 HydrophobicContact CD2-CB 4.09Å; L825-L862 HydrophobicContact CD2-CD1 4.3Å; L825-F891 HydrophobicContact CB-CE1 4.4Å |
| 826 | K | 89.9 | Confident | 80.6 | Confident | 79 Ų | 79 | 44.2 Ų | 44.2 | 34% | 0.343 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.1 | -46.4 | 174.4 | -176.2 | 175.1 | -173.5 | 171.2 | 0 | 110.9 | V822 F824 F828 Y829 V830 H890 F891 | V822-K826 WeakPolarHBondContact O-CB 3.06Å; V822-K826 PolarHBondContact O-N 2.98Å; F824-K826 VanDerWaalsContact C-N 3.34Å; F824-K826 PolarHBondContact O-N 3.17Å; K826-F828 VanDerWaalsContact C-N 3.35Å; K826-F828 PolarHBondContact O-N 3.37Å; K826-Y829 PolarHBondContact O-N 2.95Å; K826-V830 HydrophobicContact CG-CG2 4.24Å; K826-V830 WeakPolarHBondContact O-CB 3.45Å; K826-V830 VanDerWaalsContact O-CG2 3.26Å; K826-V830 WeakPolarHBondContact O-CG2 3.3Å; K826-V830 PolarHBondContact O-N 3.43Å; K826-H890 PolarHBondContact NZ-O 3.48Å; K826-F891 HydrophobicContact CB-CD1 4.33Å; K826-F891 HydrophobicContact CB-CD2 4.11Å; K826-F891 HydrophobicContact CB-CE1 4.45Å; K826-F891 HydrophobicContact CB-CE2 4.24Å; K826-F891 HydrophobicContact CB-CG 4.15Å; K826-F891 HydrophobicContact CB-CZ 4.4Å; K826-F891 HydrophobicContact CD-CD2 4.22Å; K826-F891 HydrophobicContact CG-CD2 3.9Å; K826-F891 HydrophobicContact CG-CE2 4.07Å; K826-F891 HydrophobicContact CG-CG 4.38Å |
| 827 | M | 90.7 | Very high | 83.1 | Confident | 79 Ų | 79 | 39.8 Ų | 39.8 | 39% | 0.389 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.7 | -37.3 | 179.5 | -162.2 | 63.7 | 67.8 | 0 | 0 | 111.9 | F750 Q823 F824 Y829 V830 K831 | F750-M827 HydrophobicContact CB-CG 4.03Å; F750-M827 HydrophobicContact CD1-CB 4.5Å; F750-M827 HydrophobicContact CD1-CG 3.87Å; F750-M827 HydrophobicContact CD2-CB 3.88Å; F750-M827 HydrophobicContact CD2-CG 3.34Å; F750-M827 HydrophobicContact CE1-CB 4.25Å; F750-M827 HydrophobicContact CE1-CG 4.12Å; F750-M827 HydrophobicContact CE2-CB 3.58Å; F750-M827 HydrophobicContact CE2-CG 3.62Å; F750-M827 HydrophobicContact CG-CB 4.32Å; F750-M827 HydrophobicContact CG-CG 3.46Å; F750-M827 VanDerWaalsContact CG-CG 3.46Å; F750-M827 HydrophobicContact CZ-CB 3.77Å; F750-M827 HydrophobicContact CZ-CG 3.99Å; Q823-M827 WeakPolarHBondContact O-CB 3.49Å; Q823-M827 PolarHBondContact O-N 3.06Å; F824-M827 PolarHBondContact O-N 3.37Å; M827-Y829 VanDerWaalsContact C-N 3.28Å; M827-Y829 PolarHBondContact O-N 3.32Å; M827-V830 PolarHBondContact O-N 3.13Å; M827-K831 HydrophobicContact CG-CG 4.17Å; M827-K831 VanDerWaalsContact O-CB 3.27Å; M827-K831 WeakPolarHBondContact O-CB 3.18Å; M827-K831 WeakPolarHBondContact O-CG 3.41Å; M827-K831 PolarHBondContact O-N 3.33Å; M827-K831 HydrophobicContact SD-CG 4.3Å |
| 828 | F | 93.5 | Very high | 85.3 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59 | -39.5 | 173.1 | -168 | -82.6 | 0 | 0 | 0 | 112 | F750 L800 L804 F824 L825 K826 C833 L834 I855 Y859 | F750-F828 HydrophobicContact CE1-CB 4.24Å; F750-F828 HydrophobicContact CZ-CB 4.23Å; L800-F828 HydrophobicContact CB-CE2 4.24Å; L800-F828 HydrophobicContact CB-CZ 4.15Å; L800-F828 HydrophobicContact CD1-CZ 4.42Å; L800-F828 HydrophobicContact CD2-CE2 3.82Å; L800-F828 HydrophobicContact CD2-CZ 4.13Å; L800-F828 HydrophobicContact CG-CZ 4.46Å; L804-F828 HydrophobicContact CD1-CE1 4.3Å; L804-F828 HydrophobicContact CD1-CE2 3.87Å; L804-F828 HydrophobicContact CD1-CZ 3.62Å; L804-F828 HydrophobicContact CD2-CD2 4.39Å; L804-F828 HydrophobicContact CD2-CE2 4.24Å; L804-F828 HydrophobicContact CG-CD2 4.41Å; L804-F828 HydrophobicContact CG-CE2 3.83Å; L804-F828 HydrophobicContact CG-CZ 4.11Å; F824-F828 HydrophobicContact CE1-CD2 4.47Å; F824-F828 HydrophobicContact CZ-CD2 4.16Å; F824-F828 WeakPolarHBondContact O-CB 3.43Å; F824-F828 PolarHBondContact O-N 3.05Å; L825-F828 WeakPolarHBondContact O-CB 3.47Å; L825-F828 PolarHBondContact O-N 3.39Å; K826-F828 VanDerWaalsContact C-N 3.35Å; K826-F828 PolarHBondContact O-N 3.37Å; F828-C833 HydrophobicContact CD1-CB 3.6Å; F828-C833 HydrophobicContact CD2-CB 3.91Å; F828-C833 HydrophobicContact CE1-CB 3.42Å; F828-C833 VanDerWaalsContact CE1-CB 3.42Å; F828-C833 HydrophobicContact CE2-CB 3.76Å; F828-C833 HydrophobicContact CG-CB 3.83Å; F828-C833 HydrophobicContact CZ-CB 3.5Å; F828-C833 VanDerWaalsContact CZ-CB 3.5Å; F828-C833 WeakPolarHBondContact O-CB 3.32Å; F828-C833 PolarHBondContact O-N 3.49Å; F828-C833 VanDerWaalsContact O-N 3.1Å; F828-L834 HydrophobicContact CE1-CB 4.47Å; F828-I855 HydrophobicContact CZ-CG2 4.13Å; F828-Y859 HydrophobicContact CB-CE2 4.27Å; F828-Y859 AromaticContact CD1-CD2 3.66Å; F828-Y859 HydrophobicContact CD1-CD2 3.66Å; F828-Y859 AromaticContact CD1-CE2 3.8Å; F828-Y859 HydrophobicContact CD1-CE2 3.8Å; F828-Y859 HydrophobicContact CE1-CD2 4.08Å; F828-Y859 HydrophobicContact CG-CD2 4.32Å; F828-Y859 HydrophobicContact CG-CE2 4.34Å |
| 829 | Y | 93 | Very high | 87.5 | Confident | 11 Ų | 11 | 30.1 Ų | 30.1 | 4% | 0.043 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -70.9 | -49.5 | 172.7 | 166.2 | -109.1 | 0 | 0 | 0 | 112.5 | L825 K826 M827 K831 N832 L834 F891 I897 L948 S952 | L825-Y829 PolarHBondContact O-N 2.88Å; K826-Y829 PolarHBondContact O-N 2.95Å; M827-Y829 VanDerWaalsContact C-N 3.28Å; M827-Y829 PolarHBondContact O-N 3.32Å; Y829-K831 VanDerWaalsContact C-N 3.32Å; Y829-K831 PolarHBondContact O-N 3.29Å; Y829-N832 WeakPolarHBondContact O-CA 3.47Å; Y829-N832 PolarHBondContact O-N 3.37Å; Y829-L834 HydrophobicContact CD2-CD2 4.36Å; Y829-F891 AromaticContact CD1-CE2 3.94Å; Y829-F891 HydrophobicContact CD1-CE2 3.94Å; Y829-F891 HydrophobicContact CD1-CZ 4.15Å; Y829-F891 HydrophobicContact CG-CZ 4.34Å; Y829-I897 HydrophobicContact CD1-CD1 3.79Å; Y829-I897 HydrophobicContact CD2-CD1 3.63Å; Y829-I897 HydrophobicContact CD2-CG1 4.29Å; Y829-I897 HydrophobicContact CE1-CD1 3.89Å; Y829-I897 HydrophobicContact CE2-CD1 3.74Å; Y829-I897 HydrophobicContact CE2-CG1 4.08Å; Y829-I897 HydrophobicContact CG-CD1 3.65Å; Y829-L948 HydrophobicContact CE2-CB 4.37Å; Y829-L948 HydrophobicContact CE2-CD2 4.39Å; Y829-L948 WeakPolarHBondContact CE2-O 3.33Å; Y829-L948 PolarHBondContact OH-O 3.36Å; Y829-S952 PolarHBondContact OH-N 3.02Å |
| 830 | V | 91.3 | Very high | 89.5 | Confident | 73 Ų | 73 | 27.2 Ų | 27.2 | 44% | 0.442 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -60.7 | -39.1 | -177.6 | 168.7 | 0 | 0 | 0 | 0 | 111.9 | K826 M827 N832 | K826-V830 HydrophobicContact CG-CG2 4.24Å; K826-V830 WeakPolarHBondContact O-CB 3.45Å; K826-V830 VanDerWaalsContact O-CG2 3.26Å; K826-V830 WeakPolarHBondContact O-CG2 3.3Å; K826-V830 PolarHBondContact O-N 3.43Å; M827-V830 PolarHBondContact O-N 3.13Å; V830-N832 PolarHBondContact O-N 3.33Å; V830-N832 VanDerWaalsContact O-N 3.16Å |
| 831 | K | 92.6 | Very high | 90.9 | Very high | 40 Ų | 40 | 21.3 Ų | 21.3 | 17% | 0.174 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | 6.2 | 175.5 | -72.6 | -66.7 | -164.9 | 162.2 | 0 | 114 | F750 L753 D755 L758 M827 Y829 C833 | F750-K831 HydrophobicContact CB-CG 4.12Å; F750-K831 HydrophobicContact CD1-CB 4.14Å; F750-K831 HydrophobicContact CD1-CG 3.76Å; F750-K831 HydrophobicContact CG-CG 4.22Å; F750-K831 WeakPolarHBondContact O-CE 3.13Å; F750-K831 PolarHBondContact O-NZ 3.25Å; F750-K831 VanDerWaalsContact O-NZ 3.13Å; L753-K831 PolarHBondContact O-NZ 2.99Å; D755-K831 HydrophobicContact CB-CD 3.84Å; D755-K831 IonicContact OD1-NZ 2.77Å; D755-K831 PolarHBondContact OD1-NZ 2.74Å; L758-K831 WeakPolarHBondContact CD2-O 3.4Å; M827-K831 HydrophobicContact CG-CG 4.17Å; M827-K831 VanDerWaalsContact O-CB 3.27Å; M827-K831 WeakPolarHBondContact O-CB 3.18Å; M827-K831 WeakPolarHBondContact O-CG 3.41Å; M827-K831 PolarHBondContact O-N 3.33Å; M827-K831 HydrophobicContact SD-CG 4.3Å; Y829-K831 VanDerWaalsContact C-N 3.32Å; Y829-K831 PolarHBondContact O-N 3.29Å; K831-C833 PolarHBondContact O-N 3.06Å |
| 832 | N | 95.6 | Very high | 92.1 | Very high | 4 Ų | 4 | 19.9 Ų | 19.9 | 2% | 0.021 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | 16.7 | 178.9 | -47.8 | -62.2 | 0 | 0 | 0 | 114.6 | D755 L759 Y829 V830 L834 C835 Y836 K949 | D755-N832 PolarHBondContact O-ND2 3.5Å; L759-N832 HydrophobicContact CB-CB 4.21Å; L759-N832 HydrophobicContact CD1-CB 4.32Å; Y829-N832 WeakPolarHBondContact O-CA 3.47Å; Y829-N832 PolarHBondContact O-N 3.37Å; V830-N832 PolarHBondContact O-N 3.33Å; V830-N832 VanDerWaalsContact O-N 3.16Å; N832-L834 VanDerWaalsContact C-N 3.28Å; N832-L834 PolarHBondContact O-N 2.92Å; N832-C835 HydrophobicContact CB-CB 4.14Å; N832-C835 VanDerWaalsContact O-CB 3.31Å; N832-C835 WeakPolarHBondContact O-CB 3.37Å; N832-C835 PolarHBondContact O-N 3.42Å; N832-C835 VanDerWaalsContact O-N 3.1Å; N832-Y836 PolarHBondContact O-N 3.11Å; N832-K949 VanDerWaalsContact OD1-CD 3.24Å; N832-K949 WeakPolarHBondContact OD1-CD 3.25Å; N832-K949 PolarHBondContact OD1-NZ 3.28Å |
| 833 | C | 96.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.2 | -37.4 | 178.3 | -55.8 | 0 | 0 | 0 | 0 | 111.8 | L758 L800 F828 K831 Y836 A837 | L758-C833 HydrophobicContact CD2-CB 4.41Å; L800-C833 HydrophobicContact CD1-CB 4.05Å; L800-C833 HydrophobicContact CD2-CB 3.74Å; F828-C833 HydrophobicContact CD1-CB 3.6Å; F828-C833 HydrophobicContact CD2-CB 3.91Å; F828-C833 HydrophobicContact CE1-CB 3.42Å; F828-C833 VanDerWaalsContact CE1-CB 3.42Å; F828-C833 HydrophobicContact CE2-CB 3.76Å; F828-C833 HydrophobicContact CG-CB 3.83Å; F828-C833 HydrophobicContact CZ-CB 3.5Å; F828-C833 VanDerWaalsContact CZ-CB 3.5Å; F828-C833 WeakPolarHBondContact O-CB 3.32Å; F828-C833 PolarHBondContact O-N 3.49Å; F828-C833 VanDerWaalsContact O-N 3.1Å; K831-C833 PolarHBondContact O-N 3.06Å; C833-Y836 PolarHBondContact O-N 3.49Å; C833-A837 PolarHBondContact O-N 2.6Å |
| 834 | L | 96.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -65.5 | -39.7 | 174.3 | -172.6 | 63.9 | 0 | 0 | 0 | 111.9 | F828 Y829 N832 Y836 A837 V838 I856 Y859 I897 L901 L948 | F828-L834 HydrophobicContact CE1-CB 4.47Å; Y829-L834 HydrophobicContact CD2-CD2 4.36Å; N832-L834 VanDerWaalsContact C-N 3.28Å; N832-L834 PolarHBondContact O-N 2.92Å; L834-Y836 VanDerWaalsContact C-N 3.33Å; L834-Y836 PolarHBondContact O-N 3.38Å; L834-A837 PolarHBondContact O-N 3.33Å; L834-V838 WeakPolarHBondContact O-CG2 3.24Å; L834-V838 PolarHBondContact O-N 2.89Å; L834-I856 HydrophobicContact CD1-CG1 4.3Å; L834-Y859 HydrophobicContact CD1-CD1 3.98Å; L834-Y859 HydrophobicContact CD1-CE1 4.45Å; L834-Y859 HydrophobicContact CD1-CG 4.25Å; L834-Y859 HydrophobicContact CD2-CD1 4.23Å; L834-Y859 HydrophobicContact CD2-CE1 3.88Å; L834-I897 HydrophobicContact CD2-CG2 3.61Å; L834-L901 HydrophobicContact CD1-CD1 4.34Å; L834-L901 HydrophobicContact CD1-CD2 4.24Å; L834-L901 HydrophobicContact CD2-CD1 4.31Å; L834-L901 HydrophobicContact CD2-CD2 4.31Å; L834-L948 HydrophobicContact CD2-CD1 4.12Å; L834-L948 HydrophobicContact CD2-CD2 4.07Å; L834-L948 HydrophobicContact CG-CD1 4.07Å |
| 835 | C | 97.5 | Very high | 92.7 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.007 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.9 | -43.7 | 175.1 | -64.6 | 0 | 0 | 0 | 0 | 111.2 | L759 A762 N832 A837 V838 A839 I945 | L759-C835 HydrophobicContact CD1-CB 4.42Å; A762-C835 HydrophobicContact CB-CB 4.43Å; N832-C835 HydrophobicContact CB-CB 4.14Å; N832-C835 VanDerWaalsContact O-CB 3.31Å; N832-C835 WeakPolarHBondContact O-CB 3.37Å; N832-C835 PolarHBondContact O-N 3.42Å; N832-C835 VanDerWaalsContact O-N 3.1Å; C835-A837 PolarHBondContact O-N 2.77Å; C835-V838 PolarHBondContact O-N 3.35Å; C835-A839 PolarHBondContact O-N 3.26Å; C835-I945 HydrophobicContact CB-CG1 4.28Å; C835-I945 HydrophobicContact CB-CG2 3.94Å |
| 836 | Y | 97.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.6 | -40 | 176.6 | -164.6 | -102.9 | 0 | 0 | 0 | 112.5 | L758 A762 F765 Y791 P793 I796 L797 L800 N832 C833 L834 A839 G840 | L758-Y836 HydrophobicContact CD1-CD1 4.1Å; L758-Y836 HydrophobicContact CD1-CD2 3.64Å; L758-Y836 HydrophobicContact CD1-CE2 4.16Å; L758-Y836 HydrophobicContact CD1-CG 3.61Å; L758-Y836 HydrophobicContact CG-CD2 4.24Å; L758-Y836 HydrophobicContact CG-CG 4.2Å; A762-Y836 HydrophobicContact CB-CD2 4.08Å; F765-Y836 HydrophobicContact CD2-CE2 4.07Å; F765-Y836 HydrophobicContact CE2-CE1 4.21Å; F765-Y836 HydrophobicContact CE2-CE2 4.21Å; F765-Y836 AromaticContact CE2-CZ 3.94Å; Y791-Y836 PolarHBondContact O-OH 3.28Å; P793-Y836 WeakPolarHBondContact CA-OH 3.42Å; P793-Y836 HydrophobicContact CB-CE1 4.44Å; I796-Y836 HydrophobicContact CB-CD1 4.43Å; I796-Y836 HydrophobicContact CB-CE1 3.74Å; I796-Y836 HydrophobicContact CG2-CD1 3.62Å; I796-Y836 HydrophobicContact CG2-CE1 3.42Å; I796-Y836 VanDerWaalsContact CG2-CE1 3.42Å; L797-Y836 HydrophobicContact CD2-CD1 3.97Å; L797-Y836 HydrophobicContact CD2-CE1 4.09Å; L797-Y836 HydrophobicContact CG-CE1 4.28Å; L800-Y836 HydrophobicContact CD1-CD1 4.26Å; N832-Y836 PolarHBondContact O-N 3.11Å; C833-Y836 PolarHBondContact O-N 3.49Å; L834-Y836 VanDerWaalsContact C-N 3.33Å; L834-Y836 PolarHBondContact O-N 3.38Å; Y836-A839 WeakPolarHBondContact O-CB 3.34Å; Y836-A839 PolarHBondContact O-N 2.98Å; Y836-G840 PolarHBondContact O-N 3.01Å; Y836-G840 VanDerWaalsContact O-N 3.07Å |
| 837 | A | 97.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.6 | -42.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | C833 L834 C835 A839 G840 A852 I855 I856 | C833-A837 PolarHBondContact O-N 2.6Å; L834-A837 PolarHBondContact O-N 3.33Å; C835-A837 PolarHBondContact O-N 2.77Å; A837-A839 VanDerWaalsContact C-N 3.33Å; A837-A839 PolarHBondContact O-N 3.47Å; A837-G840 PolarHBondContact O-N 3.48Å; A837-G840 VanDerWaalsContact O-N 3.14Å; A837-A852 VanDerWaalsContact O-CB 3.24Å; A837-A852 WeakPolarHBondContact O-CB 3.43Å; A837-I855 HydrophobicContact CB-CB 4.29Å; A837-I855 HydrophobicContact CB-CG2 3.69Å; A837-I856 HydrophobicContact CB-CD1 4.39Å; A837-I856 HydrophobicContact CB-CG1 3.92Å |
| 838 | V | 97 | Very high | 92 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.3 | -42 | 174.4 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | L834 C835 G840 L841 I856 L904 F944 I945 L948 | L834-V838 WeakPolarHBondContact O-CG2 3.24Å; L834-V838 PolarHBondContact O-N 2.89Å; C835-V838 PolarHBondContact O-N 3.35Å; V838-G840 PolarHBondContact O-N 2.85Å; V838-L841 VanDerWaalsContact O-CB 3.29Å; V838-L841 WeakPolarHBondContact O-CB 2.91Å; V838-L841 WeakPolarHBondContact O-CG 3.47Å; V838-L841 PolarHBondContact O-N 3.3Å; V838-L841 VanDerWaalsContact O-N 3.1Å; V838-I856 HydrophobicContact CG2-CD1 4.03Å; V838-L904 HydrophobicContact CG1-CD2 4.41Å; V838-L904 HydrophobicContact CG2-CD2 3.98Å; V838-F944 HydrophobicContact CG1-CB 3.76Å; V838-I945 HydrophobicContact CB-CG1 4.46Å; V838-I945 HydrophobicContact CG1-CG1 4.21Å; V838-L948 HydrophobicContact CG2-CD1 3.99Å |
| 839 | A | 96.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -58.1 | -38.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | A762 F765 C835 Y836 A837 L841 S842 I945 | A762-A839 HydrophobicContact CB-CB 3.99Å; A762-A839 VanDerWaalsContact O-CB 3.27Å; A762-A839 WeakPolarHBondContact O-CB 3.45Å; F765-A839 HydrophobicContact CB-CB 3.88Å; F765-A839 HydrophobicContact CD2-CB 3.58Å; F765-A839 HydrophobicContact CE2-CB 4.41Å; F765-A839 HydrophobicContact CG-CB 3.92Å; C835-A839 PolarHBondContact O-N 3.26Å; Y836-A839 WeakPolarHBondContact O-CB 3.34Å; Y836-A839 PolarHBondContact O-N 2.98Å; A837-A839 VanDerWaalsContact C-N 3.33Å; A837-A839 PolarHBondContact O-N 3.47Å; A839-L841 PolarHBondContact O-N 3.12Å; A839-L841 VanDerWaalsContact O-N 3.1Å; A839-S842 WeakPolarHBondContact O-CB 3.25Å; A839-S842 PolarHBondContact O-N 2.99Å; A839-S842 PolarHBondContact O-OG 3.24Å; A839-I945 HydrophobicContact CB-CD1 3.76Å |
| 840 | G | 94.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.6 | -21.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | F765 Y836 A837 V838 S842 S843 | F765-G840 VanDerWaalsContact CZ-CA 3.46Å; Y836-G840 PolarHBondContact O-N 3.01Å; Y836-G840 VanDerWaalsContact O-N 3.07Å; A837-G840 PolarHBondContact O-N 3.48Å; A837-G840 VanDerWaalsContact O-N 3.14Å; V838-G840 PolarHBondContact O-N 2.85Å; G840-S842 PolarHBondContact O-N 2.99Å; G840-S843 WeakPolarHBondContact O-CB 3.4Å; G840-S843 PolarHBondContact O-N 3.48Å |
| 841 | L | 92.6 | Very high | 91.8 | Very high | 4 Ų | 4 | 19.7 Ų | 19.7 | 2% | 0.021 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -17.3 | 173.8 | -59.3 | 174.4 | 0 | 0 | 0 | 113.4 | V838 A839 R849 A852 K853 I856 L904 L908 L936 | V838-L841 VanDerWaalsContact O-CB 3.29Å; V838-L841 WeakPolarHBondContact O-CB 2.91Å; V838-L841 WeakPolarHBondContact O-CG 3.47Å; V838-L841 PolarHBondContact O-N 3.3Å; V838-L841 VanDerWaalsContact O-N 3.1Å; A839-L841 PolarHBondContact O-N 3.12Å; A839-L841 VanDerWaalsContact O-N 3.1Å; L841-R849 WeakPolarHBondContact O-CD 3.27Å; L841-A852 HydrophobicContact CD2-CB 3.95Å; L841-A852 HydrophobicContact CG-CB 4.33Å; L841-K853 HydrophobicContact CD2-CG 3.54Å; L841-I856 HydrophobicContact CD1-CD1 3.69Å; L841-I856 HydrophobicContact CD2-CD1 4.28Å; L841-I856 HydrophobicContact CG-CD1 4.04Å; L841-L904 HydrophobicContact CD1-CD1 4.18Å; L841-L904 HydrophobicContact CD1-CD2 3.79Å; L841-L904 HydrophobicContact CD1-CG 4.28Å; L841-L908 HydrophobicContact CD1-CD1 4.18Å; L841-L936 HydrophobicContact CB-CB 4.07Å; L841-L936 HydrophobicContact CB-CD2 4.39Å; L841-L936 PolarHBondContact O-N 2.98Å |
| 842 | S | 91.1 | Very high | 91.9 | Very high | 2 Ų | 2 | 17.8 Ų | 17.8 | 1% | 0.014 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -11 | 176.8 | 70.1 | 0 | 0 | 0 | 0 | 114.5 | L767 A839 G840 L936 | L767-S842 WeakPolarHBondContact CD2-OG 3.37Å; A839-S842 WeakPolarHBondContact O-CB 3.25Å; A839-S842 PolarHBondContact O-N 2.99Å; A839-S842 PolarHBondContact O-OG 3.24Å; G840-S842 PolarHBondContact O-N 2.99Å; S842-L936 WeakPolarHBondContact CA-O 3.29Å; S842-L936 WeakPolarHBondContact CB-O 3.44Å |
| 843 | S | 88.4 | Confident | 91.8 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | -60.7 | 142.4 | -179 | -175.1 | 0 | 0 | 0 | 0 | 112.8 | G840 S845 M848 R849 | G840-S843 WeakPolarHBondContact O-CB 3.4Å; G840-S843 PolarHBondContact O-N 3.48Å; S843-S845 VanDerWaalsContact C-N 3.25Å; S843-S845 PolarHBondContact O-N 3.38Å; S843-S845 PolarHBondContact OG-N 2.92Å; S843-S845 VanDerWaalsContact OG-N 3.11Å; S843-M848 WeakPolarHBondContact OG-CE 3.24Å; S843-R849 WeakPolarHBondContact O-CD 3.28Å; S843-R849 WeakPolarHBondContact O-CG 3.18Å; S843-R849 PolarHBondContact O-NH1 2.87Å | ||
| 844 | Y | 82.6 | Confident | 91.7 | Very high | 8 Ų | 8 | 24.9 Ų | 24.9 | 3% | 0.031 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -68.8 | -24.4 | 168.8 | -80.2 | -77.9 | 0 | 0 | 0 | 112.9 | L767 Y768 K846 R849 I928 I930 D931 R935 D1008 | L767-Y844 HydrophobicContact CB-CD2 4.02Å; L767-Y844 HydrophobicContact CB-CE2 4.23Å; L767-Y844 PolarHBondContact O-N 3.43Å; Y768-Y844 AromaticContact CD1-CD2 3.61Å; Y768-Y844 HydrophobicContact CD1-CD2 3.61Å; Y768-Y844 AromaticContact CD1-CE2 3.89Å; Y768-Y844 HydrophobicContact CD1-CE2 3.89Å; Y768-Y844 HydrophobicContact CD1-CG 4.38Å; Y768-Y844 AromaticContact CE1-CD2 3.54Å; Y768-Y844 HydrophobicContact CE1-CD2 3.54Å; Y768-Y844 AromaticContact CE1-CE2 3.29Å; Y768-Y844 HydrophobicContact CE1-CE2 3.29Å; Y768-Y844 HydrophobicContact CE1-CG 4.44Å; Y768-Y844 HydrophobicContact CG-CD2 4.39Å; Y768-Y844 AromaticContact CZ-CE2 3.73Å; Y844-K846 PolarHBondContact O-N 3.27Å; Y844-R849 PolarHBondContact O-NH1 3.04Å; Y844-I928 HydrophobicContact CE1-CB 4.32Å; Y844-I928 HydrophobicContact CE1-CD1 4.46Å; Y844-I928 HydrophobicContact CE1-CG2 4.33Å; Y844-I928 WeakPolarHBondContact OH-CD1 3.42Å; Y844-I930 HydrophobicContact CD1-CB 4.49Å; Y844-I930 HydrophobicContact CD1-CG2 4.4Å; Y844-D931 HydrophobicContact CD1-CB 4.42Å; Y844-D931 HydrophobicContact CE1-CB 4.06Å; Y844-R935 PolarHBondContact OH-NH2 3.32Å; Y844-R935 VanDerWaalsContact OH-NH2 3.15Å; Y844-D1008 PolarHBondContact OH-OD2 3.4Å |
| 845 | S | 82.8 | Confident | 91.7 | Very high | 18 Ų | 18 | 24.9 Ų | 24.9 | 13% | 0.126 | 12% | 0.122 | C | C | . | . | trans | -72.5 | 116.2 | 176.7 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | S843 H847 M848 R849 | S843-S845 VanDerWaalsContact C-N 3.25Å; S843-S845 PolarHBondContact O-N 3.38Å; S843-S845 PolarHBondContact OG-N 2.92Å; S843-S845 VanDerWaalsContact OG-N 3.11Å; S845-H847 PolarHBondContact O-N 3.27Å; S845-M848 WeakPolarHBondContact CB-SD 3.5Å; S845-M848 PolarHBondContact O-N 3.46Å; S845-M848 PolarHBondContact OG-N 2.85Å; S845-M848 PolarHBondContact OG-SD 3.12Å; S845-R849 WeakPolarHBondContact O-CG 3.41Å; S845-R849 PolarHBondContact O-N 3.48Å; S845-R849 PolarHBondContact O-NH1 3.44Å | ||
| 846 | K | 83.2 | Confident | 91.6 | Very high | 124 Ų | 124 | 25.7 Ų | 25.7 | 54% | 0.539 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -56.7 | -37.3 | 175.3 | -176.4 | 178.5 | 177.8 | -178.8 | 0 | 111.9 | Y844 R849 N850 | Y844-K846 PolarHBondContact O-N 3.27Å; K846-R849 PolarHBondContact O-N 3.28Å; K846-N850 WeakPolarHBondContact O-CB 3.29Å; K846-N850 PolarHBondContact O-N 3.04Å; K846-N850 PolarHBondContact O-OD1 3.35Å |
| 847 | H | 85.3 | Confident | 91.4 | Very high | 112 Ų | 112 | 27.7 Ų | 27.7 | 52% | 0.519 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -64.4 | -46.6 | 178.6 | -68.1 | -78 | 0 | 0 | 0 | 112.1 | W771 S845 R849 N850 M851 | W771-H847 HydrophobicContact CB-CB 4.23Å; W771-H847 HydrophobicContact CD2-CB 3.79Å; W771-H847 HydrophobicContact CE3-CB 3.91Å; W771-H847 HydrophobicContact CG-CB 3.99Å; W771-H847 HydrophobicContact CZ3-CB 4.27Å; S845-H847 PolarHBondContact O-N 3.27Å; H847-R849 PolarHBondContact O-N 2.61Å; H847-N850 PolarHBondContact O-N 2.88Å; H847-M851 WeakPolarHBondContact O-CB 3.38Å; H847-M851 PolarHBondContact O-N 3.33Å |
| 848 | M | 88 | Confident | 91.2 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.9 | -40.4 | 177.5 | -74.6 | 144.4 | 67.7 | 0 | 0 | 111.6 | F765 R769 W771 P793 L797 S843 S845 N850 M851 A852 | F765-M848 HydrophobicContact CE1-CE 4.02Å; F765-M848 HydrophobicContact CZ-CE 4.2Å; R769-M848 HydrophobicContact CB-CE 3.93Å; R769-M848 HydrophobicContact CG-CE 4.21Å; R769-M848 WeakPolarHBondContact O-CE 3.3Å; W771-M848 HydrophobicContact CE3-CG 3.79Å; W771-M848 HydrophobicContact CE3-SD 4.45Å; W771-M848 HydrophobicContact CZ3-CG 4.02Å; P793-M848 HydrophobicContact CB-CE 4.01Å; P793-M848 HydrophobicContact CG-CE 3.59Å; L797-M848 HydrophobicContact CD1-CB 4.25Å; L797-M848 HydrophobicContact CD1-CG 4.38Å; S843-M848 WeakPolarHBondContact OG-CE 3.24Å; S845-M848 WeakPolarHBondContact CB-SD 3.5Å; S845-M848 PolarHBondContact O-N 3.46Å; S845-M848 PolarHBondContact OG-N 2.85Å; S845-M848 PolarHBondContact OG-SD 3.12Å; M848-N850 PolarHBondContact O-N 3.26Å; M848-M851 PolarHBondContact O-N 2.62Å; M848-A852 WeakPolarHBondContact O-CB 3.35Å; M848-A852 PolarHBondContact O-N 3.14Å |
| 849 | R | 90.5 | Very high | 91.1 | Very high | 6 Ų | 6 | 29.6 Ų | 29.6 | 2% | 0.023 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.8 | -43 | 174 | -67 | -159.7 | -56.7 | -73.6 | 2.2 | 112.1 | L841 S843 Y844 S845 K846 H847 A852 K853 S932 G933 | L841-R849 WeakPolarHBondContact O-CD 3.27Å; S843-R849 WeakPolarHBondContact O-CD 3.28Å; S843-R849 WeakPolarHBondContact O-CG 3.18Å; S843-R849 PolarHBondContact O-NH1 2.87Å; Y844-R849 PolarHBondContact O-NH1 3.04Å; S845-R849 WeakPolarHBondContact O-CG 3.41Å; S845-R849 PolarHBondContact O-N 3.48Å; S845-R849 PolarHBondContact O-NH1 3.44Å; K846-R849 PolarHBondContact O-N 3.28Å; H847-R849 PolarHBondContact O-N 2.61Å; R849-A852 PolarHBondContact O-N 2.64Å; R849-K853 VanDerWaalsContact O-CG 3.25Å; R849-K853 WeakPolarHBondContact O-CG 3.4Å; R849-K853 PolarHBondContact O-N 3.1Å; R849-S932 PolarHBondContact NH2-OG 3.44Å; R849-G933 PolarHBondContact NH2-O 3.27Å |
| 850 | N | 90 | Very high | 90.9 | Very high | 70 Ų | 70 | 32.4 Ų | 32.4 | 37% | 0.374 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -64 | -42.7 | 177.2 | -73.8 | -7.6 | 0 | 0 | 0 | 111.2 | K846 H847 M848 K853 T854 | K846-N850 WeakPolarHBondContact O-CB 3.29Å; K846-N850 PolarHBondContact O-N 3.04Å; K846-N850 PolarHBondContact O-OD1 3.35Å; H847-N850 PolarHBondContact O-N 2.88Å; M848-N850 PolarHBondContact O-N 3.26Å; N850-K853 WeakPolarHBondContact O-CB 3.44Å; N850-K853 PolarHBondContact O-N 3.47Å; N850-T854 PolarHBondContact O-N 3.01Å; N850-T854 PolarHBondContact O-OG1 3.11Å |
| 851 | M | 92.7 | Very high | 90.7 | Very high | 25 Ų | 25 | 39 Ų | 39 | 12% | 0.123 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.5 | -46.5 | 176.6 | -166.4 | 59.9 | 163 | 0 | 0 | 112 | L797 H798 Y801 H847 M848 K853 T854 I855 | L797-M851 HydrophobicContact CB-CG 3.94Å; H798-M851 HydrophobicContact CB-CE 4.22Å; Y801-M851 HydrophobicContact CD1-CE 3.68Å; Y801-M851 HydrophobicContact CD2-CE 4.2Å; Y801-M851 HydrophobicContact CD2-SD 4.38Å; Y801-M851 HydrophobicContact CG-CE 3.44Å; Y801-M851 VanDerWaalsContact CG-CE 3.44Å; Y801-M851 HydrophobicContact CG-SD 4.18Å; H847-M851 WeakPolarHBondContact O-CB 3.38Å; H847-M851 PolarHBondContact O-N 3.33Å; M848-M851 PolarHBondContact O-N 2.62Å; M851-K853 VanDerWaalsContact C-N 3.34Å; M851-K853 PolarHBondContact O-N 3.47Å; M851-T854 WeakPolarHBondContact O-CB 3.41Å; M851-T854 PolarHBondContact O-N 3.47Å; M851-T854 VanDerWaalsContact O-N 3.16Å; M851-I855 HydrophobicContact CG-CD1 4.23Å; M851-I855 VanDerWaalsContact O-CG1 3.31Å; M851-I855 WeakPolarHBondContact O-CG1 3.36Å; M851-I855 PolarHBondContact O-N 2.8Å |
| 852 | A | 94.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.5 | -45.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A837 L841 M848 R849 T854 I855 I856 | A837-A852 VanDerWaalsContact O-CB 3.24Å; A837-A852 WeakPolarHBondContact O-CB 3.43Å; L841-A852 HydrophobicContact CD2-CB 3.95Å; L841-A852 HydrophobicContact CG-CB 4.33Å; M848-A852 WeakPolarHBondContact O-CB 3.35Å; M848-A852 PolarHBondContact O-N 3.14Å; R849-A852 PolarHBondContact O-N 2.64Å; A852-T854 VanDerWaalsContact C-N 3.33Å; A852-T854 PolarHBondContact O-N 2.95Å; A852-I855 PolarHBondContact O-N 3.1Å; A852-I856 WeakPolarHBondContact O-CB 3.33Å; A852-I856 VanDerWaalsContact O-CG1 3.26Å; A852-I856 WeakPolarHBondContact O-CG1 3.47Å; A852-I856 PolarHBondContact O-N 3.48Å |
| 853 | K | 93 | Very high | 90.3 | Very high | 90 Ų | 90 | 40 Ų | 40 | 39% | 0.391 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.8 | -43.1 | 175 | -73.4 | 172 | -175.7 | -179 | 0 | 111.8 | L841 R849 N850 M851 I856 G857 | L841-K853 HydrophobicContact CD2-CG 3.54Å; R849-K853 VanDerWaalsContact O-CG 3.25Å; R849-K853 WeakPolarHBondContact O-CG 3.4Å; R849-K853 PolarHBondContact O-N 3.1Å; N850-K853 WeakPolarHBondContact O-CB 3.44Å; N850-K853 PolarHBondContact O-N 3.47Å; M851-K853 VanDerWaalsContact C-N 3.34Å; M851-K853 PolarHBondContact O-N 3.47Å; K853-I856 PolarHBondContact O-N 3.31Å; K853-G857 PolarHBondContact O-N 3.43Å |
| 854 | T | 94.9 | Very high | 90.1 | Very high | 63 Ų | 63 | 42 Ų | 42 | 39% | 0.387 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.4 | -46.4 | 178.1 | -54.9 | 0 | 0 | 0 | 0 | 111.2 | Y801 N850 M851 A852 I856 G857 M858 | Y801-T854 HydrophobicContact CD2-CG2 3.84Å; Y801-T854 HydrophobicContact CE2-CG2 3.56Å; N850-T854 PolarHBondContact O-N 3.01Å; N850-T854 PolarHBondContact O-OG1 3.11Å; M851-T854 WeakPolarHBondContact O-CB 3.41Å; M851-T854 PolarHBondContact O-N 3.47Å; M851-T854 VanDerWaalsContact O-N 3.16Å; A852-T854 VanDerWaalsContact C-N 3.33Å; A852-T854 PolarHBondContact O-N 2.95Å; T854-I856 PolarHBondContact O-N 2.93Å; T854-G857 PolarHBondContact O-N 3.22Å; T854-M858 HydrophobicContact CG2-CG 4.36Å; T854-M858 HydrophobicContact CG2-SD 4.09Å; T854-M858 WeakPolarHBondContact O-CB 3.41Å; T854-M858 VanDerWaalsContact O-CG 3.3Å; T854-M858 WeakPolarHBondContact O-CG 3.12Å; T854-M858 PolarHBondContact O-N 3.32Å |
| 855 | I | 96.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.3 | -50 | 176.7 | -67.9 | 162.1 | 0 | 0 | 0 | 110.9 | L797 L800 L804 F828 A837 M851 A852 G857 M858 Y859 | L797-I855 HydrophobicContact CB-CD1 4Å; L797-I855 HydrophobicContact CD2-CD1 3.87Å; L797-I855 WeakPolarHBondContact O-CD1 3.25Å; L800-I855 HydrophobicContact CB-CD1 4.26Å; L804-I855 HydrophobicContact CD1-CB 4.48Å; L804-I855 HydrophobicContact CD1-CG2 3.74Å; F828-I855 HydrophobicContact CZ-CG2 4.13Å; A837-I855 HydrophobicContact CB-CB 4.29Å; A837-I855 HydrophobicContact CB-CG2 3.69Å; M851-I855 HydrophobicContact CG-CD1 4.23Å; M851-I855 VanDerWaalsContact O-CG1 3.31Å; M851-I855 WeakPolarHBondContact O-CG1 3.36Å; M851-I855 PolarHBondContact O-N 2.8Å; A852-I855 PolarHBondContact O-N 3.1Å; I855-G857 VanDerWaalsContact C-N 3.33Å; I855-G857 PolarHBondContact O-N 2.89Å; I855-M858 PolarHBondContact O-N 3.47Å; I855-Y859 WeakPolarHBondContact O-CB 3.44Å; I855-Y859 PolarHBondContact O-N 3.45Å |
| 856 | I | 95.9 | Very high | 89.4 | Confident | 18 Ų | 18 | 46.3 Ų | 46.3 | 9% | 0.092 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.2 | -43.3 | 178.8 | -66.8 | 166.1 | 0 | 0 | 0 | 110.6 | L834 A837 V838 L841 A852 K853 T854 Y859 R860 L901 L904 | L834-I856 HydrophobicContact CD1-CG1 4.3Å; A837-I856 HydrophobicContact CB-CD1 4.39Å; A837-I856 HydrophobicContact CB-CG1 3.92Å; V838-I856 HydrophobicContact CG2-CD1 4.03Å; L841-I856 HydrophobicContact CD1-CD1 3.69Å; L841-I856 HydrophobicContact CD2-CD1 4.28Å; L841-I856 HydrophobicContact CG-CD1 4.04Å; A852-I856 WeakPolarHBondContact O-CB 3.33Å; A852-I856 VanDerWaalsContact O-CG1 3.26Å; A852-I856 WeakPolarHBondContact O-CG1 3.47Å; A852-I856 PolarHBondContact O-N 3.48Å; K853-I856 PolarHBondContact O-N 3.31Å; T854-I856 PolarHBondContact O-N 2.93Å; I856-Y859 PolarHBondContact O-N 3.36Å; I856-R860 VanDerWaalsContact O-CB 3.24Å; I856-R860 WeakPolarHBondContact O-CB 3.41Å; I856-R860 PolarHBondContact O-N 3.45Å; I856-L901 HydrophobicContact CG2-CD1 4.31Å; I856-L901 HydrophobicContact CG2-CD2 3.84Å; I856-L904 HydrophobicContact CD1-CD2 4.49Å |
| 857 | G | 93.4 | Very high | 89 | Confident | 41 Ų | 41 | 42.9 Ų | 42.9 | 42% | 0.423 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.8 | -43.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K853 T854 I855 R860 K861 | K853-G857 PolarHBondContact O-N 3.43Å; T854-G857 PolarHBondContact O-N 3.22Å; I855-G857 VanDerWaalsContact C-N 3.33Å; I855-G857 PolarHBondContact O-N 2.89Å; G857-R860 PolarHBondContact O-N 3.04Å; G857-K861 WeakPolarHBondContact O-CB 3.49Å; G857-K861 PolarHBondContact O-N 2.91Å |
| 858 | M | 92.8 | Very high | 88 | Confident | 41 Ų | 41 | 40.9 Ų | 40.9 | 20% | 0.202 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.2 | -48.2 | 175.4 | -75.2 | -179.5 | 72.3 | 0 | 0 | 111.4 | Y801 L804 Q805 T854 I855 R860 K861 L862 | Y801-M858 HydrophobicContact CD2-SD 3.53Å; Y801-M858 VanDerWaalsContact CD2-SD 3.53Å; Y801-M858 HydrophobicContact CE2-CE 4.38Å; Y801-M858 HydrophobicContact CE2-SD 3.33Å; Y801-M858 WeakPolarHBondContact CE2-SD 3.43Å; L804-M858 HydrophobicContact CB-CE 4.08Å; Q805-M858 HydrophobicContact CB-CE 3.95Å; T854-M858 HydrophobicContact CG2-CG 4.36Å; T854-M858 HydrophobicContact CG2-SD 4.09Å; T854-M858 WeakPolarHBondContact O-CB 3.41Å; T854-M858 VanDerWaalsContact O-CG 3.3Å; T854-M858 WeakPolarHBondContact O-CG 3.12Å; T854-M858 PolarHBondContact O-N 3.32Å; I855-M858 PolarHBondContact O-N 3.47Å; M858-R860 VanDerWaalsContact C-N 3.33Å; M858-R860 PolarHBondContact O-N 2.72Å; M858-K861 PolarHBondContact O-N 3.48Å; M858-L862 WeakPolarHBondContact O-CG 3.19Å; M858-L862 PolarHBondContact O-N 3.5Å |
| 859 | Y | 94.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.6 | -46.4 | 175.3 | -178.3 | -89 | 0 | 0 | 0 | 111.1 | L804 L825 F828 L834 I855 I856 K861 L862 L863 I897 L901 | L804-Y859 HydrophobicContact CD2-CD2 4.41Å; L825-Y859 HydrophobicContact CB-CE2 4.17Å; L825-Y859 HydrophobicContact CD2-CD2 3.86Å; L825-Y859 HydrophobicContact CD2-CE2 3.83Å; L825-Y859 PolarHBondContact O-OH 2.95Å; F828-Y859 HydrophobicContact CB-CE2 4.27Å; F828-Y859 AromaticContact CD1-CD2 3.66Å; F828-Y859 HydrophobicContact CD1-CD2 3.66Å; F828-Y859 AromaticContact CD1-CE2 3.8Å; F828-Y859 HydrophobicContact CD1-CE2 3.8Å; F828-Y859 HydrophobicContact CE1-CD2 4.08Å; F828-Y859 HydrophobicContact CG-CD2 4.32Å; F828-Y859 HydrophobicContact CG-CE2 4.34Å; L834-Y859 HydrophobicContact CD1-CD1 3.98Å; L834-Y859 HydrophobicContact CD1-CE1 4.45Å; L834-Y859 HydrophobicContact CD1-CG 4.25Å; L834-Y859 HydrophobicContact CD2-CD1 4.23Å; L834-Y859 HydrophobicContact CD2-CE1 3.88Å; I855-Y859 WeakPolarHBondContact O-CB 3.44Å; I855-Y859 PolarHBondContact O-N 3.45Å; I856-Y859 PolarHBondContact O-N 3.36Å; Y859-K861 VanDerWaalsContact C-N 3.35Å; Y859-K861 PolarHBondContact O-N 3.41Å; Y859-L862 PolarHBondContact O-N 3.33Å; Y859-L863 HydrophobicContact CE1-CD2 3.89Å; Y859-L863 WeakPolarHBondContact O-CB 3.46Å; Y859-L863 PolarHBondContact O-N 3.41Å; Y859-I897 HydrophobicContact CE1-CG2 3.92Å; Y859-L901 HydrophobicContact CD1-CD1 3.93Å; Y859-L901 HydrophobicContact CE1-CD1 4.34Å |
| 860 | R | 93 | Very high | 83.9 | Confident | 58 Ų | 58 | 47 Ų | 47 | 22% | 0.219 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.1 | -38.7 | 177.1 | 179.8 | 65.2 | -179.4 | 89.5 | -5.9 | 112.6 | I856 G857 M858 S864 L901 D902 | I856-R860 VanDerWaalsContact O-CB 3.24Å; I856-R860 WeakPolarHBondContact O-CB 3.41Å; I856-R860 PolarHBondContact O-N 3.45Å; G857-R860 PolarHBondContact O-N 3.04Å; M858-R860 VanDerWaalsContact C-N 3.33Å; M858-R860 PolarHBondContact O-N 2.72Å; R860-S864 PolarHBondContact O-N 3.02Å; R860-S864 PolarHBondContact O-OG 3.45Å; R860-L901 HydrophobicContact CB-CD1 4.21Å; R860-D902 IonicContact CZ-OD1 3.8Å; R860-D902 IonicContact CZ-OD2 2.91Å; R860-D902 IonicContact NE-OD1 3.39Å; R860-D902 PolarHBondContact NE-OD1 3.39Å; R860-D902 IonicContact NE-OD2 3.79Å; R860-D902 IonicContact NH2-OD1 2.7Å; R860-D902 PolarHBondContact NH2-OD1 2.77Å; R860-D902 IonicContact NH2-OD2 3.24Å; R860-D902 PolarHBondContact NH2-OD2 3.48Å |
| 861 | K | 88.6 | Confident | 81 | Confident | 138 Ų | 138 | 48.6 Ų | 48.6 | 60% | 0.6 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -65.9 | -48.8 | 176.6 | -177.6 | -177.1 | 176.4 | -174.4 | 0 | 111.2 | G857 M858 Y859 L863 S864 L865 | G857-K861 WeakPolarHBondContact O-CB 3.49Å; G857-K861 PolarHBondContact O-N 2.91Å; M858-K861 PolarHBondContact O-N 3.48Å; Y859-K861 VanDerWaalsContact C-N 3.35Å; Y859-K861 PolarHBondContact O-N 3.41Å; K861-L863 VanDerWaalsContact C-N 3.31Å; K861-L863 PolarHBondContact O-N 3.37Å; K861-S864 WeakPolarHBondContact CA-OG 3.44Å; K861-S864 PolarHBondContact O-N 2.77Å; K861-S864 PolarHBondContact O-OG 3.32Å; K861-L865 WeakPolarHBondContact O-CG 3.01Å; K861-L865 PolarHBondContact O-N 2.82Å |
| 862 | L | 87.5 | Confident | 78.2 | Confident | 29 Ų | 29 | 52.5 Ų | 52.5 | 15% | 0.152 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 177.3 | -67 | 173.5 | 0 | 0 | 0 | 111.3 | L804 F807 P808 L825 M858 Y859 L865 Y866 | L804-L862 HydrophobicContact CD2-CD1 3.98Å; F807-L862 HydrophobicContact CD1-CD1 4.09Å; P808-L862 HydrophobicContact CG-CD2 3.84Å; L825-L862 HydrophobicContact CD1-CB 4.15Å; L825-L862 HydrophobicContact CD2-CB 4.09Å; L825-L862 HydrophobicContact CD2-CD1 4.3Å; M858-L862 WeakPolarHBondContact O-CG 3.19Å; M858-L862 PolarHBondContact O-N 3.5Å; Y859-L862 PolarHBondContact O-N 3.33Å; L862-L865 PolarHBondContact O-N 2.66Å; L862-Y866 PolarHBondContact O-N 2.89Å |
| 863 | L | 88.2 | Confident | 75.4 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.8 | -37.6 | 174.6 | -172.2 | 62.6 | 0 | 0 | 0 | 112.2 | Y859 K861 Y866 I867 F891 G894 I897 A898 | Y859-L863 HydrophobicContact CE1-CD2 3.89Å; Y859-L863 WeakPolarHBondContact O-CB 3.46Å; Y859-L863 PolarHBondContact O-N 3.41Å; K861-L863 VanDerWaalsContact C-N 3.31Å; K861-L863 PolarHBondContact O-N 3.37Å; L863-Y866 HydrophobicContact CD1-CD1 4.36Å; L863-Y866 WeakPolarHBondContact O-CB 3.49Å; L863-Y866 PolarHBondContact O-N 2.99Å; L863-I867 HydrophobicContact CD1-CD1 4.4Å; L863-I867 HydrophobicContact CG-CD1 3.89Å; L863-I867 VanDerWaalsContact O-CG1 3.28Å; L863-I867 WeakPolarHBondContact O-CG1 3.28Å; L863-I867 PolarHBondContact O-N 2.91Å; L863-F891 HydrophobicContact CD1-CD1 4.25Å; L863-F891 HydrophobicContact CD1-CE1 4Å; L863-G894 WeakPolarHBondContact CD2-O 3.33Å; L863-I897 HydrophobicContact CD2-CB 4.44Å; L863-I897 HydrophobicContact CD2-CG2 4.25Å; L863-A898 HydrophobicContact CD2-CB 4.07Å |
| 864 | S | 84.7 | Confident | 72.7 | Confident | 40 Ų | 40 | 59.6 Ų | 59.6 | 28% | 0.28 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.4 | -44.3 | 174.5 | 46 | 0 | 0 | 0 | 0 | 113.2 | R860 K861 Y866 I867 S868 | R860-S864 PolarHBondContact O-N 3.02Å; R860-S864 PolarHBondContact O-OG 3.45Å; K861-S864 WeakPolarHBondContact CA-OG 3.44Å; K861-S864 PolarHBondContact O-N 2.77Å; K861-S864 PolarHBondContact O-OG 3.32Å; S864-Y866 PolarHBondContact O-N 3.16Å; S864-Y866 VanDerWaalsContact O-N 3.17Å; S864-I867 PolarHBondContact O-N 3.05Å; S864-I867 VanDerWaalsContact O-N 3.1Å; S864-S868 WeakPolarHBondContact O-CB 3.34Å; S864-S868 PolarHBondContact O-N 3.49Å; S864-S868 PolarHBondContact O-OG 3.49Å |
| 865 | L | 78.2 | Confident | 70.1 | Confident | 80 Ų | 80 | 64.5 Ų | 64.5 | 42% | 0.419 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -57.5 | -32.2 | 178.4 | -71.2 | 170.6 | 0 | 0 | 0 | 111.3 | K861 L862 S868 G869 | K861-L865 WeakPolarHBondContact O-CG 3.01Å; K861-L865 PolarHBondContact O-N 2.82Å; L862-L865 PolarHBondContact O-N 2.66Å; L865-S868 PolarHBondContact O-OG 2.89Å; L865-G869 PolarHBondContact O-N 3.47Å |
| 866 | Y | 72.4 | Confident | 67.6 | Low | 38 Ų | 38 | 69.4 Ų | 69.4 | 15% | 0.149 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -72.9 | -50.4 | 173.2 | 172.4 | -109.4 | 0 | 0 | 0 | 113.2 | V822 L862 L863 S864 S868 G869 S887 | V822-Y866 HydrophobicContact CB-CE2 4.35Å; V822-Y866 HydrophobicContact CG1-CE2 4.39Å; V822-Y866 WeakPolarHBondContact CG1-OH 3.26Å; V822-Y866 HydrophobicContact CG2-CD2 3.81Å; V822-Y866 HydrophobicContact CG2-CE2 3.12Å; V822-Y866 VanDerWaalsContact CG2-CZ 3.5Å; V822-Y866 WeakPolarHBondContact CG2-OH 3.49Å; L862-Y866 PolarHBondContact O-N 2.89Å; L863-Y866 HydrophobicContact CD1-CD1 4.36Å; L863-Y866 WeakPolarHBondContact O-CB 3.49Å; L863-Y866 PolarHBondContact O-N 2.99Å; S864-Y866 PolarHBondContact O-N 3.16Å; S864-Y866 VanDerWaalsContact O-N 3.17Å; Y866-S868 VanDerWaalsContact C-N 3.32Å; Y866-S868 PolarHBondContact O-N 3.08Å; Y866-G869 PolarHBondContact O-N 2.87Å; Y866-S887 WeakPolarHBondContact OH-CA 3.46Å; Y866-S887 VanDerWaalsContact OH-CB 3.23Å; Y866-S887 WeakPolarHBondContact OH-CB 2.89Å; Y866-S887 PolarHBondContact OH-O 3.25Å |
| 867 | I | 73.9 | Confident | 65 | Low | 51 Ų | 51 | 76.2 Ų | 76.2 | 26% | 0.262 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 179.5 | -68.5 | 162.1 | 0 | 0 | 0 | 111.2 | L863 S864 G869 Q895 A898 | L863-I867 HydrophobicContact CD1-CD1 4.4Å; L863-I867 HydrophobicContact CG-CD1 3.89Å; L863-I867 VanDerWaalsContact O-CG1 3.28Å; L863-I867 WeakPolarHBondContact O-CG1 3.28Å; L863-I867 PolarHBondContact O-N 2.91Å; S864-I867 PolarHBondContact O-N 3.05Å; S864-I867 VanDerWaalsContact O-N 3.1Å; I867-G869 VanDerWaalsContact C-N 3.3Å; I867-G869 PolarHBondContact O-N 3.18Å; I867-Q895 VanDerWaalsContact CG2-OE1 3.29Å; I867-A898 HydrophobicContact CD1-CB 3.97Å |
| 868 | S | 65 | Low | 62.7 | Low | 71 Ų | 71 | 80.6 Ų | 80.6 | 50% | 0.497 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -13 | -179 | 64.7 | 0 | 0 | 0 | 0 | 113.8 | S864 L865 Y866 | S864-S868 WeakPolarHBondContact O-CB 3.34Å; S864-S868 PolarHBondContact O-N 3.49Å; S864-S868 PolarHBondContact O-OG 3.49Å; L865-S868 PolarHBondContact O-OG 2.89Å; Y866-S868 VanDerWaalsContact C-N 3.32Å; Y866-S868 PolarHBondContact O-N 3.08Å |
| 869 | G | 53.5 | Low | 60.4 | Low | 30 Ų | 30 | 84 Ų | 84 | 31% | 0.309 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 43.1 | 74.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | L865 Y866 I867 S871 | L865-G869 PolarHBondContact O-N 3.47Å; Y866-G869 PolarHBondContact O-N 2.87Å; I867-G869 VanDerWaalsContact C-N 3.3Å; I867-G869 PolarHBondContact O-N 3.18Å; G869-S871 VanDerWaalsContact C-N 3.34Å; G869-S871 PolarHBondContact O-N 3.35Å |
| 870 | N | 39.2 | Very low | 58.1 | Low | 103 Ų | 103 | 86.3 Ų | 86.3 | 55% | 0.551 | 48% | 0.482 | S | S | * | . | trans | -18 | 86.5 | -177.7 | -82.5 | -1.8 | 0 | 0 | 0 | 114.8 | T872 | N870-T872 PolarHBondContact O-N 2.91Š| ||
| 871 | S | 29.6 | Very low | 55.6 | Low | 104 Ų | 104 | 90 Ų | 90 | 73% | 0.727 | 50% | 0.502 | S | S | * | . | trans | -82.1 | 73.8 | 163.6 | 56.7 | 0 | 0 | 0 | 0 | 107.2 | G869 | G869-S871 VanDerWaalsContact C-N 3.34Å; G869-S871 PolarHBondContact O-N 3.35Å | ||
| 872 | T | 33.1 | Very low | 53.6 | Low | 108 Ų | 108 | 91.9 Ų | 91.9 | 66% | 0.663 | 51% | 0.505 | S | S | * | . | trans | -122.3 | 112 | 164.5 | 51.4 | 0 | 0 | 0 | 0 | 106.7 | N870 | N870-T872 PolarHBondContact O-N 2.91Š| ||
| 873 | T | 36.7 | Very low | 51.6 | Low | 141 Ų | 141 | 97.9 Ų | 97.9 | 87% | 0.865 | 53% | 0.526 | S | S | * | . | S | Bend | trans | 68.3 | 81.6 | 170.1 | 69.2 | 0 | 0 | 0 | 0 | 117.9 | ||
| 874 | S | 34.6 | Very low | 49.7 | Very low | 98 Ų | 98 | 101.8 Ų | 101.8 | 69% | 0.685 | 55% | 0.546 | S | S | * | . | -176.3 | 140.1 | 127.7 | 65.8 | 0 | 0 | 0 | 0 | 110.2 | N876 | S874-N876 PolarHBondContact O-N 3.33Š| |||
| 875 | N | 41.2 | Very low | 48.1 | Very low | 166 Ų | 166 | 105.1 Ų | 105.1 | 89% | 0.888 | 56% | 0.561 | S | S | * | * | trans | -70.8 | 34.8 | -175.4 | -81.4 | -13.6 | 0 | 0 | 0 | 114.8 | ||||
| 876 | N | 43.1 | Very low | 46.9 | Very low | 102 Ų | 102 | 107.2 Ų | 107.2 | 55% | 0.545 | 57% | 0.568 | S | S | . | * | trans | -112.9 | 89.8 | -179.5 | -71.2 | -5.6 | 0 | 0 | 0 | 110.9 | S874 D878 H879 | S874-N876 PolarHBondContact O-N 3.33Å; N876-D878 PolarHBondContact O-N 3.42Å; N876-H879 PolarHBondContact O-N 3.4Å | ||
| 877 | H | 43 | Very low | 45.9 | Very low | 162 Ų | 162 | 106.2 Ų | 106.2 | 75% | 0.75 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -55.1 | -27.6 | 178.6 | -91.9 | -76.6 | 0 | 0 | 0 | 114.2 | H879 S880 | H877-H879 VanDerWaalsContact C-N 3.33Å; H877-H879 PolarHBondContact O-N 3.15Å; H877-S880 PolarHBondContact O-OG 3.02Å; H877-S880 VanDerWaalsContact O-OG 3.06Å |
| 878 | D | 44.6 | Very low | 45 | Very low | 132 Ų | 132 | 109.5 Ų | 109.5 | 71% | 0.706 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -70.5 | -23.6 | -177.3 | -76.3 | -17.8 | 0 | 0 | 0 | 114.7 | N876 | N876-D878 PolarHBondContact O-N 3.42Å |
| 879 | H | 43.6 | Very low | 44.9 | Very low | 114 Ų | 114 | 114.8 Ų | 114.8 | 53% | 0.528 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -86.5 | -26 | -177.8 | -78.1 | -55.2 | 0 | 0 | 0 | 113.6 | N876 H877 R883 | N876-H879 PolarHBondContact O-N 3.4Å; H877-H879 VanDerWaalsContact C-N 3.33Å; H877-H879 PolarHBondContact O-N 3.15Å; H879-R883 PolarHBondContact O-N 2.83Å |
| 880 | S | 45.7 | Very low | 45.5 | Very low | 48 Ų | 48 | 117.5 Ų | 117.5 | 34% | 0.336 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -74.8 | -42.9 | -179.4 | 55.9 | 0 | 0 | 0 | 0 | 111.9 | H877 R882 R883 I884 | H877-S880 PolarHBondContact O-OG 3.02Å; H877-S880 VanDerWaalsContact O-OG 3.06Å; S880-R882 PolarHBondContact O-N 3.35Å; S880-R883 PolarHBondContact O-N 3.4Å; S880-R883 VanDerWaalsContact O-N 3.14Å; S880-I884 PolarHBondContact O-N 3.16Å; S880-I884 VanDerWaalsContact O-N 3.13Å |
| 881 | E | 42 | Very low | 47.5 | Very low | 134 Ų | 134 | 112.9 Ų | 112.9 | 63% | 0.626 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62.2 | -41.8 | 176.7 | -75.7 | -167.2 | 164.2 | 0 | 0 | 112.4 | R883 I884 N885 | E881-R883 VanDerWaalsContact C-N 3.27Å; E881-R883 PolarHBondContact O-N 3.12Å; E881-I884 PolarHBondContact O-N 2.7Å; E881-N885 PolarHBondContact O-N 3.29Å |
| 882 | R | 45.5 | Very low | 49.8 | Very low | 179 Ų | 179 | 110.4 Ų | 110.4 | 68% | 0.675 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -60 | -35.4 | 174.9 | -77.8 | -173.9 | 178.3 | -174.6 | 1.8 | 112.4 | S880 Q886 | S880-R882 PolarHBondContact O-N 3.35Å; R882-Q886 WeakPolarHBondContact O-CG 2.92Å; R882-Q886 PolarHBondContact O-N 3.32Å; R882-Q886 VanDerWaalsContact O-N 3.14Å |
| 883 | R | 45.8 | Very low | 52.4 | Low | 154 Ų | 154 | 107.1 Ų | 107.1 | 58% | 0.581 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -70.9 | -42.7 | 177.6 | -75.6 | -176 | -164.2 | -172.3 | 4.6 | 112.6 | H879 S880 E881 N885 Q886 S887 | H879-R883 PolarHBondContact O-N 2.83Å; S880-R883 PolarHBondContact O-N 3.4Å; S880-R883 VanDerWaalsContact O-N 3.14Å; E881-R883 VanDerWaalsContact C-N 3.27Å; E881-R883 PolarHBondContact O-N 3.12Å; R883-N885 VanDerWaalsContact C-N 3.31Å; R883-N885 PolarHBondContact O-N 3.35Å; R883-Q886 PolarHBondContact O-N 2.65Å; R883-S887 WeakPolarHBondContact O-CB 3.24Å; R883-S887 PolarHBondContact O-N 3.15Å |
| 884 | I | 49.2 | Very low | 54.8 | Low | 83 Ų | 83 | 100.5 Ų | 100.5 | 43% | 0.426 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.4 | -37.8 | 177.4 | -62.1 | 167.4 | 0 | 0 | 0 | 110.6 | S880 E881 S887 F888 | S880-I884 PolarHBondContact O-N 3.16Å; S880-I884 VanDerWaalsContact O-N 3.13Å; E881-I884 PolarHBondContact O-N 2.7Å; I884-S887 WeakPolarHBondContact CA-OG 3.47Å; I884-S887 PolarHBondContact O-N 3.39Å; I884-S887 PolarHBondContact O-OG 3.08Å; I884-F888 PolarHBondContact O-N 3.18Å; I884-F888 VanDerWaalsContact O-N 3.15Å |
| 885 | N | 49.9 | Very low | 57.4 | Low | 110 Ų | 110 | 100.4 Ų | 100.4 | 59% | 0.588 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -69.8 | -35.8 | 176.9 | -77.8 | -24.7 | 0 | 0 | 0 | 113.3 | E881 R883 K889 | E881-N885 PolarHBondContact O-N 3.29Å; R883-N885 VanDerWaalsContact C-N 3.31Å; R883-N885 PolarHBondContact O-N 3.35Å; N885-K889 PolarHBondContact O-N 3.33Å |
| 886 | Q | 52.2 | Low | 59.7 | Low | 124 Ų | 124 | 95 Ų | 95 | 58% | 0.579 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -68.6 | -36.6 | 173.6 | -76.2 | 179.9 | -3.9 | 0 | 0 | 112 | R882 R883 K889 H890 | R882-Q886 WeakPolarHBondContact O-CG 2.92Å; R882-Q886 PolarHBondContact O-N 3.32Å; R882-Q886 VanDerWaalsContact O-N 3.14Å; R883-Q886 PolarHBondContact O-N 2.65Å; Q886-K889 WeakPolarHBondContact O-CB 3.4Å; Q886-K889 PolarHBondContact O-N 2.85Å; Q886-H890 PolarHBondContact O-N 2.9Å; Q886-H890 PolarHBondContact O-ND1 3.33Å |
| 887 | S | 51.8 | Low | 62.1 | Low | 17 Ų | 17 | 90.1 Ų | 90.1 | 12% | 0.119 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -66.5 | -45.3 | -178.5 | 75.1 | 0 | 0 | 0 | 0 | 111.9 | Y866 R883 I884 K889 H890 F891 | Y866-S887 WeakPolarHBondContact OH-CA 3.46Å; Y866-S887 VanDerWaalsContact OH-CB 3.23Å; Y866-S887 WeakPolarHBondContact OH-CB 2.89Å; Y866-S887 PolarHBondContact OH-O 3.25Å; R883-S887 WeakPolarHBondContact O-CB 3.24Å; R883-S887 PolarHBondContact O-N 3.15Å; I884-S887 WeakPolarHBondContact CA-OG 3.47Å; I884-S887 PolarHBondContact O-N 3.39Å; I884-S887 PolarHBondContact O-OG 3.08Å; S887-K889 VanDerWaalsContact C-N 3.27Å; S887-K889 PolarHBondContact O-N 3.34Å; S887-H890 PolarHBondContact O-N 2.85Å; S887-F891 PolarHBondContact O-N 2.84Å |
| 888 | F | 56 | Low | 64.4 | Low | 119 Ų | 119 | 82.5 Ų | 82.5 | 52% | 0.522 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.8 | -33.9 | 176.1 | -135.7 | -86 | 0 | 0 | 0 | 112.4 | I884 H890 P892 Q895 | I884-F888 PolarHBondContact O-N 3.18Å; I884-F888 VanDerWaalsContact O-N 3.15Å; F888-H890 VanDerWaalsContact C-N 3.31Å; F888-H890 PolarHBondContact O-N 3.17Å; F888-P892 HydrophobicContact CD1-CB 4.35Å; F888-P892 HydrophobicContact CE1-CB 4.4Å; F888-P892 WeakPolarHBondContact O-CA 3.46Å; F888-Q895 HydrophobicContact CE2-CB 4.39Å |
| 889 | K | 62.1 | Low | 66.7 | Low | 182 Ų | 182 | 79.6 Ų | 79.6 | 79% | 0.791 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -63.6 | -31 | 176.6 | -92.7 | -175.8 | 174.3 | -179.5 | 0 | 113.9 | N885 Q886 S887 | N885-K889 PolarHBondContact O-N 3.33Å; Q886-K889 WeakPolarHBondContact O-CB 3.4Å; Q886-K889 PolarHBondContact O-N 2.85Å; S887-K889 VanDerWaalsContact C-N 3.27Å; S887-K889 PolarHBondContact O-N 3.34Å |
| 890 | H | 67 | Low | 69.1 | Low | 87 Ų | 87 | 74.2 Ų | 74.2 | 40% | 0.403 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -95.4 | -33 | -171.6 | -70.7 | 58.6 | 0 | 0 | 0 | 113.1 | V822 K826 Q886 S887 F888 | V822-H890 HydrophobicContact CG1-CB 4Å; K826-H890 PolarHBondContact NZ-O 3.48Å; Q886-H890 PolarHBondContact O-N 2.9Å; Q886-H890 PolarHBondContact O-ND1 3.33Å; S887-H890 PolarHBondContact O-N 2.85Å; F888-H890 VanDerWaalsContact C-N 3.31Å; F888-H890 PolarHBondContact O-N 3.17Å |
| 891 | F | 80 | Confident | 71.5 | Confident | 6 Ų | 6 | 72.2 Ų | 72.2 | 3% | 0.026 | 33% | 0.33 | C | S | . | . | trans | -141.9 | 69.5 | -179.5 | -169.4 | -158.6 | 0 | 0 | 0 | 112 | V822 L825 K826 Y829 L863 S887 E893 G894 I897 | V822-F891 HydrophobicContact CG1-CB 3.69Å; L825-F891 HydrophobicContact CB-CE1 4.4Å; K826-F891 HydrophobicContact CB-CD1 4.33Å; K826-F891 HydrophobicContact CB-CD2 4.11Å; K826-F891 HydrophobicContact CB-CE1 4.45Å; K826-F891 HydrophobicContact CB-CE2 4.24Å; K826-F891 HydrophobicContact CB-CG 4.15Å; K826-F891 HydrophobicContact CB-CZ 4.4Å; K826-F891 HydrophobicContact CD-CD2 4.22Å; K826-F891 HydrophobicContact CG-CD2 3.9Å; K826-F891 HydrophobicContact CG-CE2 4.07Å; K826-F891 HydrophobicContact CG-CG 4.38Å; Y829-F891 AromaticContact CD1-CE2 3.94Å; Y829-F891 HydrophobicContact CD1-CE2 3.94Å; Y829-F891 HydrophobicContact CD1-CZ 4.15Å; Y829-F891 HydrophobicContact CG-CZ 4.34Å; L863-F891 HydrophobicContact CD1-CD1 4.25Å; L863-F891 HydrophobicContact CD1-CE1 4Å; S887-F891 PolarHBondContact O-N 2.84Å; F891-E893 VanDerWaalsContact C-N 3.26Å; F891-E893 HydrophobicContact CD2-CB 4.45Å; F891-E893 WeakPolarHBondContact CD2-OE2 3.44Å; F891-E893 HydrophobicContact CE2-CB 4.16Å; F891-E893 PolarHBondContact O-N 3.08Å; F891-G894 PolarHBondContact O-N 3.49Å; F891-G894 VanDerWaalsContact O-N 3.1Å; F891-I897 HydrophobicContact CE2-CD1 3.84Å; F891-I897 HydrophobicContact CZ-CD1 3.52Å | ||
| 892 | P | 79.2 | Confident | 73.9 | Confident | 53 Ų | 53 | 67.5 Ų | 67.5 | 34% | 0.344 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -31.2 | -174.3 | 24.9 | -33.6 | 0 | 0 | 0 | 113 | F888 G894 | F888-P892 HydrophobicContact CD1-CB 4.35Å; F888-P892 HydrophobicContact CE1-CB 4.4Å; F888-P892 WeakPolarHBondContact O-CA 3.46Å; P892-G894 PolarHBondContact O-N 2.96Å |
| 893 | E | 86.4 | Confident | 76.1 | Confident | 39 Ų | 39 | 59 Ų | 59 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -15.7 | 179.3 | -51.9 | 85.3 | 169.2 | 0 | 0 | 112.2 | F891 Q895 Q896 I897 | F891-E893 VanDerWaalsContact C-N 3.26Å; F891-E893 HydrophobicContact CD2-CB 4.45Å; F891-E893 WeakPolarHBondContact CD2-OE2 3.44Å; F891-E893 HydrophobicContact CE2-CB 4.16Å; F891-E893 PolarHBondContact O-N 3.08Å; E893-Q895 VanDerWaalsContact C-N 3.31Å; E893-Q895 PolarHBondContact O-N 2.99Å; E893-Q896 WeakPolarHBondContact O-CB 3.43Å; E893-Q896 PolarHBondContact O-N 3.22Å; E893-I897 HydrophobicContact CB-CD1 4.05Å; E893-I897 HydrophobicContact CB-CG1 4.48Å; E893-I897 VanDerWaalsContact O-CG1 3.29Å; E893-I897 WeakPolarHBondContact O-CG1 3.37Å; E893-I897 PolarHBondContact O-N 3.49Å |
| 894 | G | 88.8 | Confident | 78.3 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -54.3 | -42.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L863 F891 P892 I897 A898 | L863-G894 WeakPolarHBondContact CD2-O 3.33Å; F891-G894 PolarHBondContact O-N 3.49Å; F891-G894 VanDerWaalsContact O-N 3.1Å; P892-G894 PolarHBondContact O-N 2.96Å; G894-I897 PolarHBondContact O-N 3.37Å; G894-A898 WeakPolarHBondContact O-CB 3.36Å; G894-A898 PolarHBondContact O-N 3.43Å |
| 895 | Q | 87.8 | Confident | 80.2 | Confident | 96 Ų | 96 | 54.9 Ų | 54.9 | 45% | 0.449 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.5 | -39.8 | 177.9 | -170 | 66.1 | 16.3 | 0 | 0 | 112 | I867 F888 E893 A898 F899 | I867-Q895 VanDerWaalsContact CG2-OE1 3.29Å; F888-Q895 HydrophobicContact CE2-CB 4.39Å; E893-Q895 VanDerWaalsContact C-N 3.31Å; E893-Q895 PolarHBondContact O-N 2.99Å; Q895-A898 PolarHBondContact O-N 3.36Å; Q895-F899 PolarHBondContact O-N 3.27Å |
| 896 | Q | 90.6 | Very high | 82.1 | Confident | 52 Ų | 52 | 51.5 Ų | 51.5 | 24% | 0.243 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.5 | -41.4 | 178.7 | -63.7 | 166.5 | -27.1 | 0 | 0 | 110.8 | E893 A898 F899 V900 L951 W963 | E893-Q896 WeakPolarHBondContact O-CB 3.43Å; E893-Q896 PolarHBondContact O-N 3.22Å; Q896-A898 VanDerWaalsContact C-N 3.35Å; Q896-A898 PolarHBondContact O-N 2.9Å; Q896-F899 WeakPolarHBondContact O-CB 3.49Å; Q896-F899 PolarHBondContact O-N 2.92Å; Q896-V900 WeakPolarHBondContact O-CG2 3.01Å; Q896-V900 PolarHBondContact O-N 3.45Å; Q896-L951 HydrophobicContact CB-CD1 4.11Å; Q896-L951 HydrophobicContact CB-CD2 4.17Å; Q896-W963 HydrophobicContact CB-CH2 3.65Å; Q896-W963 HydrophobicContact CB-CZ2 4.45Å; Q896-W963 HydrophobicContact CB-CZ3 3.99Å; Q896-W963 HydrophobicContact CG-CH2 3.7Å; Q896-W963 HydrophobicContact CG-CZ2 4.01Å; Q896-W963 HydrophobicContact CG-CZ3 4.29Å |
| 897 | I | 93.1 | Very high | 83.8 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.5 | -46.3 | 174.8 | -65.7 | 162.5 | 0 | 0 | 0 | 110 | Y829 L834 Y859 L863 F891 E893 G894 F899 V900 L901 L948 L951 | Y829-I897 HydrophobicContact CD1-CD1 3.79Å; Y829-I897 HydrophobicContact CD2-CD1 3.63Å; Y829-I897 HydrophobicContact CD2-CG1 4.29Å; Y829-I897 HydrophobicContact CE1-CD1 3.89Å; Y829-I897 HydrophobicContact CE2-CD1 3.74Å; Y829-I897 HydrophobicContact CE2-CG1 4.08Å; Y829-I897 HydrophobicContact CG-CD1 3.65Å; L834-I897 HydrophobicContact CD2-CG2 3.61Å; Y859-I897 HydrophobicContact CE1-CG2 3.92Å; L863-I897 HydrophobicContact CD2-CB 4.44Å; L863-I897 HydrophobicContact CD2-CG2 4.25Å; F891-I897 HydrophobicContact CE2-CD1 3.84Å; F891-I897 HydrophobicContact CZ-CD1 3.52Å; E893-I897 HydrophobicContact CB-CD1 4.05Å; E893-I897 HydrophobicContact CB-CG1 4.48Å; E893-I897 VanDerWaalsContact O-CG1 3.29Å; E893-I897 WeakPolarHBondContact O-CG1 3.37Å; E893-I897 PolarHBondContact O-N 3.49Å; G894-I897 PolarHBondContact O-N 3.37Å; I897-F899 VanDerWaalsContact C-N 3.29Å; I897-F899 PolarHBondContact O-N 3.25Å; I897-V900 PolarHBondContact O-N 3.41Å; I897-L901 HydrophobicContact CG2-CD1 4.1Å; I897-L901 HydrophobicContact CG2-CG 4.27Å; I897-L901 VanDerWaalsContact O-CG 3.3Å; I897-L901 WeakPolarHBondContact O-CG 3.48Å; I897-L901 PolarHBondContact O-N 2.85Å; I897-L948 HydrophobicContact CG1-CD2 4.49Å; I897-L948 HydrophobicContact CG2-CD2 4.35Å; I897-L951 HydrophobicContact CG1-CD1 3.96Å |
| 898 | A | 91.8 | Very high | 85.4 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 2% | 0.017 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.7 | -44.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L863 I867 G894 Q895 Q896 L901 D902 | L863-A898 HydrophobicContact CD2-CB 4.07Å; I867-A898 HydrophobicContact CD1-CB 3.97Å; G894-A898 WeakPolarHBondContact O-CB 3.36Å; G894-A898 PolarHBondContact O-N 3.43Å; Q895-A898 PolarHBondContact O-N 3.36Å; Q896-A898 VanDerWaalsContact C-N 3.35Å; Q896-A898 PolarHBondContact O-N 2.9Å; A898-L901 PolarHBondContact O-N 2.87Å; A898-D902 VanDerWaalsContact O-CG 3.25Å; A898-D902 PolarHBondContact O-N 3.24Å |
| 899 | F | 92.6 | Very high | 86.5 | Confident | 72 Ų | 72 | 44.9 Ų | 44.9 | 32% | 0.316 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.2 | -48.2 | 175.2 | -176.3 | -96.5 | 0 | 0 | 0 | 112.2 | Q895 Q896 I897 L901 D902 T903 W963 L966 L967 | Q895-F899 PolarHBondContact O-N 3.27Å; Q896-F899 WeakPolarHBondContact O-CB 3.49Å; Q896-F899 PolarHBondContact O-N 2.92Å; I897-F899 VanDerWaalsContact C-N 3.29Å; I897-F899 PolarHBondContact O-N 3.25Å; F899-L901 VanDerWaalsContact C-N 3.32Å; F899-L901 PolarHBondContact O-N 3.2Å; F899-D902 PolarHBondContact O-N 3.46Å; F899-D902 VanDerWaalsContact O-N 3.13Å; F899-T903 PolarHBondContact O-N 3.32Å; F899-T903 PolarHBondContact O-OG1 2.94Å; F899-T903 VanDerWaalsContact O-OG1 3.09Å; F899-W963 HydrophobicContact CB-CH2 4.35Å; F899-W963 AromaticContact CD1-CH2 3.83Å; F899-W963 HydrophobicContact CD1-CH2 3.83Å; F899-W963 HydrophobicContact CD1-CZ2 4.44Å; F899-W963 HydrophobicContact CD1-CZ3 4.29Å; F899-W963 HydrophobicContact CG-CH2 4.34Å; F899-L966 HydrophobicContact CE1-CB 3.93Å; F899-L966 WeakPolarHBondContact CE1-O 3.39Å; F899-L967 HydrophobicContact CE1-CD2 4.01Å; F899-L967 HydrophobicContact CE2-CD2 4.39Å; F899-L967 HydrophobicContact CZ-CD2 3.77Å |
| 900 | V | 94.2 | Very high | 86.8 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.9 | -40.1 | 177.9 | 175.6 | 0 | 0 | 0 | 0 | 112.1 | Q896 I897 D902 T903 L904 F944 V947 L948 L951 W963 L966 | Q896-V900 WeakPolarHBondContact O-CG2 3.01Å; Q896-V900 PolarHBondContact O-N 3.45Å; I897-V900 PolarHBondContact O-N 3.41Å; V900-D902 VanDerWaalsContact C-N 3.34Å; V900-T903 PolarHBondContact O-N 3.03Å; V900-L904 WeakPolarHBondContact O-CB 3.38Å; V900-L904 PolarHBondContact O-N 3.39Å; V900-F944 HydrophobicContact CG1-CD1 3.81Å; V900-F944 HydrophobicContact CG1-CE1 4.21Å; V900-V947 HydrophobicContact CG1-CG1 3.99Å; V900-V947 HydrophobicContact CG2-CG1 3.92Å; V900-L948 HydrophobicContact CG1-CD2 4.18Å; V900-L948 HydrophobicContact CG1-CG 4.5Å; V900-L951 HydrophobicContact CG2-CD1 3.85Å; V900-W963 HydrophobicContact CG2-CZ3 4.2Å; V900-L966 HydrophobicContact CG2-CD1 3.94Å |
| 901 | L | 94.4 | Very high | 86.1 | Confident | 6 Ų | 6 | 39.8 Ų | 39.8 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.2 | -35.5 | 176.7 | -66.5 | -176.8 | 0 | 0 | 0 | 112.1 | L834 I856 Y859 R860 I897 A898 F899 L904 R905 | L834-L901 HydrophobicContact CD1-CD1 4.34Å; L834-L901 HydrophobicContact CD1-CD2 4.24Å; L834-L901 HydrophobicContact CD2-CD1 4.31Å; L834-L901 HydrophobicContact CD2-CD2 4.31Å; I856-L901 HydrophobicContact CG2-CD1 4.31Å; I856-L901 HydrophobicContact CG2-CD2 3.84Å; Y859-L901 HydrophobicContact CD1-CD1 3.93Å; Y859-L901 HydrophobicContact CE1-CD1 4.34Å; R860-L901 HydrophobicContact CB-CD1 4.21Å; I897-L901 HydrophobicContact CG2-CD1 4.1Å; I897-L901 HydrophobicContact CG2-CG 4.27Å; I897-L901 VanDerWaalsContact O-CG 3.3Å; I897-L901 WeakPolarHBondContact O-CG 3.48Å; I897-L901 PolarHBondContact O-N 2.85Å; A898-L901 PolarHBondContact O-N 2.87Å; F899-L901 VanDerWaalsContact C-N 3.32Å; F899-L901 PolarHBondContact O-N 3.2Å; L901-L904 HydrophobicContact CD2-CD2 4.46Å; L901-L904 PolarHBondContact O-N 3.27Å; L901-R905 WeakPolarHBondContact O-CB 3.35Å; L901-R905 PolarHBondContact O-N 3.13Å |
| 902 | D | 92.3 | Very high | 84.7 | Confident | 34 Ų | 34 | 39.7 Ų | 39.7 | 18% | 0.182 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.4 | -42.5 | 173.5 | -68.3 | -24 | 0 | 0 | 0 | 111 | R860 A898 F899 V900 L904 R905 N906 | R860-D902 IonicContact CZ-OD1 3.8Å; R860-D902 IonicContact CZ-OD2 2.91Å; R860-D902 IonicContact NE-OD1 3.39Å; R860-D902 PolarHBondContact NE-OD1 3.39Å; R860-D902 IonicContact NE-OD2 3.79Å; R860-D902 IonicContact NH2-OD1 2.7Å; R860-D902 PolarHBondContact NH2-OD1 2.77Å; R860-D902 IonicContact NH2-OD2 3.24Å; R860-D902 PolarHBondContact NH2-OD2 3.48Å; A898-D902 VanDerWaalsContact O-CG 3.25Å; A898-D902 PolarHBondContact O-N 3.24Å; F899-D902 PolarHBondContact O-N 3.46Å; F899-D902 VanDerWaalsContact O-N 3.13Å; V900-D902 VanDerWaalsContact C-N 3.34Å; D902-L904 VanDerWaalsContact C-N 3.33Å; D902-L904 PolarHBondContact O-N 3.11Å; D902-R905 PolarHBondContact O-N 3.15Å; D902-R905 IonicContact OD1-CZ 3.67Å; D902-R905 IonicContact OD1-NH1 2.92Å; D902-R905 IonicContact OD1-NH2 3.6Å; D902-N906 WeakPolarHBondContact O-CB 3.14Å; D902-N906 PolarHBondContact O-N 2.79Å; D902-N906 PolarHBondContact O-ND2 3.39Å; D902-N906 PolarHBondContact O-OD1 3.05Å |
| 903 | T | 92.3 | Very high | 83.1 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.012 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.8 | -44.5 | 172.5 | -53.5 | 0 | 0 | 0 | 0 | 111.2 | F899 V900 N906 S907 L966 I972 | F899-T903 PolarHBondContact O-N 3.32Å; F899-T903 PolarHBondContact O-OG1 2.94Å; F899-T903 VanDerWaalsContact O-OG1 3.09Å; V900-T903 PolarHBondContact O-N 3.03Å; T903-N906 PolarHBondContact O-N 3.16Å; T903-S907 WeakPolarHBondContact O-CB 3.09Å; T903-S907 PolarHBondContact O-N 3.06Å; T903-S907 PolarHBondContact O-OG 3.32Å; T903-L966 HydrophobicContact CG2-CD2 4.23Å; T903-I972 HydrophobicContact CG2-CD1 4.44Å; T903-I972 HydrophobicContact CG2-CG1 4.01Å |
| 904 | L | 92 | Very high | 81.1 | Confident | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.2 | -46.7 | 176.3 | 173.4 | 61 | 0 | 0 | 0 | 111.6 | V838 L841 I856 V900 L901 D902 N906 S907 L908 L936 F944 | V838-L904 HydrophobicContact CG1-CD2 4.41Å; V838-L904 HydrophobicContact CG2-CD2 3.98Å; L841-L904 HydrophobicContact CD1-CD1 4.18Å; L841-L904 HydrophobicContact CD1-CD2 3.79Å; L841-L904 HydrophobicContact CD1-CG 4.28Å; I856-L904 HydrophobicContact CD1-CD2 4.49Å; V900-L904 WeakPolarHBondContact O-CB 3.38Å; V900-L904 PolarHBondContact O-N 3.39Å; L901-L904 HydrophobicContact CD2-CD2 4.46Å; L901-L904 PolarHBondContact O-N 3.27Å; D902-L904 VanDerWaalsContact C-N 3.33Å; D902-L904 PolarHBondContact O-N 3.11Å; L904-N906 PolarHBondContact O-N 3.21Å; L904-S907 PolarHBondContact O-N 3.23Å; L904-L908 HydrophobicContact CD1-CD1 4.31Å; L904-L908 HydrophobicContact CD1-CG 4.48Å; L904-L908 HydrophobicContact CG-CD1 4.48Å; L904-L908 WeakPolarHBondContact O-CG 3.26Å; L904-L908 PolarHBondContact O-N 3.08Å; L904-L936 HydrophobicContact CD1-CD2 4Å; L904-F944 HydrophobicContact CB-CD1 4.23Å; L904-F944 HydrophobicContact CB-CE1 3.84Å; L904-F944 HydrophobicContact CB-CE2 4.44Å; L904-F944 HydrophobicContact CB-CZ 3.95Å; L904-F944 HydrophobicContact CD1-CD2 3.69Å; L904-F944 HydrophobicContact CD1-CE1 4.42Å; L904-F944 HydrophobicContact CD1-CE2 3.58Å; L904-F944 HydrophobicContact CD1-CG 4.19Å; L904-F944 HydrophobicContact CD1-CZ 3.96Å |
| 905 | R | 90.1 | Very high | 79.2 | Confident | 146 Ų | 146 | 42.1 Ų | 42.1 | 55% | 0.551 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -58.4 | -47.9 | 176.2 | -179.3 | -173.4 | 67.8 | -163.9 | -5.1 | 111.2 | L901 D902 S907 L908 S909 | L901-R905 WeakPolarHBondContact O-CB 3.35Å; L901-R905 PolarHBondContact O-N 3.13Å; D902-R905 PolarHBondContact O-N 3.15Å; D902-R905 IonicContact OD1-CZ 3.67Å; D902-R905 IonicContact OD1-NH1 2.92Å; D902-R905 IonicContact OD1-NH2 3.6Å; R905-S907 VanDerWaalsContact C-N 3.32Å; R905-S907 PolarHBondContact O-N 3.09Å; R905-L908 PolarHBondContact O-N 3.11Å; R905-S909 PolarHBondContact O-N 3.08Å |
| 906 | N | 89 | Confident | 77.1 | Confident | 39 Ų | 39 | 38.8 Ų | 38.8 | 21% | 0.209 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.5 | -38.5 | 179.4 | -63 | -16.8 | 0 | 0 | 0 | 111.2 | D902 T903 L904 L908 S909 H910 P970 A971 | D902-N906 WeakPolarHBondContact O-CB 3.14Å; D902-N906 PolarHBondContact O-N 2.79Å; D902-N906 PolarHBondContact O-ND2 3.39Å; D902-N906 PolarHBondContact O-OD1 3.05Å; T903-N906 PolarHBondContact O-N 3.16Å; L904-N906 PolarHBondContact O-N 3.21Å; N906-L908 VanDerWaalsContact C-N 3.32Å; N906-L908 PolarHBondContact O-N 2.83Å; N906-S909 WeakPolarHBondContact CA-OG 3.38Å; N906-S909 PolarHBondContact O-N 3.33Å; N906-S909 PolarHBondContact O-OG 3.38Å; N906-H910 PolarHBondContact O-N 2.91Å; N906-H910 PolarHBondContact O-ND1 3.32Å; N906-P970 VanDerWaalsContact CB-O 3.25Å; N906-P970 WeakPolarHBondContact CB-O 3.45Å; N906-P970 PolarHBondContact ND2-O 2.87Å; N906-A971 HydrophobicContact CB-CB 3.93Å |
| 907 | S | 88.5 | Confident | 74.4 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.014 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.3 | -40 | 176.6 | -52.7 | 0 | 0 | 0 | 0 | 111.6 | T903 L904 R905 I972 L974 | T903-S907 WeakPolarHBondContact O-CB 3.09Å; T903-S907 PolarHBondContact O-N 3.06Å; T903-S907 PolarHBondContact O-OG 3.32Å; L904-S907 PolarHBondContact O-N 3.23Å; R905-S907 VanDerWaalsContact C-N 3.32Å; R905-S907 PolarHBondContact O-N 3.09Å; S907-I972 PolarHBondContact OG-N 3.28Å; S907-L974 VanDerWaalsContact O-CD1 3.31Å; S907-L974 WeakPolarHBondContact O-CD1 3.31Å |
| 908 | L | 84.5 | Confident | 71.4 | Confident | 35 Ų | 35 | 41.9 Ų | 41.9 | 18% | 0.183 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70.4 | -35.8 | 176 | -70.5 | 170.8 | 0 | 0 | 0 | 112.6 | L841 L904 R905 N906 G912 L936 L974 | L841-L908 HydrophobicContact CD1-CD1 4.18Å; L904-L908 HydrophobicContact CD1-CD1 4.31Å; L904-L908 HydrophobicContact CD1-CG 4.48Å; L904-L908 HydrophobicContact CG-CD1 4.48Å; L904-L908 WeakPolarHBondContact O-CG 3.26Å; L904-L908 PolarHBondContact O-N 3.08Å; R905-L908 PolarHBondContact O-N 3.11Å; N906-L908 VanDerWaalsContact C-N 3.32Å; N906-L908 PolarHBondContact O-N 2.83Å; L908-G912 PolarHBondContact O-N 2.85Å; L908-L936 HydrophobicContact CD2-CD1 4.33Å; L908-L974 HydrophobicContact CD2-CD1 4.33Å |
| 909 | S | 79.9 | Confident | 68.7 | Low | 85 Ų | 85 | 44.6 Ų | 44.6 | 59% | 0.594 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -72.9 | -33.1 | 179.6 | 67.4 | 0 | 0 | 0 | 0 | 113.3 | R905 N906 G911 | R905-S909 PolarHBondContact O-N 3.08Å; N906-S909 WeakPolarHBondContact CA-OG 3.38Å; N906-S909 PolarHBondContact O-N 3.33Å; N906-S909 PolarHBondContact O-OG 3.38Å; S909-G911 PolarHBondContact O-N 3.14Å |
| 910 | H | 67.7 | Low | 66.3 | Low | 141 Ų | 141 | 45.8 Ų | 45.8 | 65% | 0.653 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | 8.9 | 178.8 | -76.3 | 75.8 | 0 | 0 | 0 | 114.3 | N906 | N906-H910 PolarHBondContact O-N 2.91Å; N906-H910 PolarHBondContact O-ND1 3.32Å |
| 911 | G | 53.7 | Low | 63.7 | Low | 20 Ų | 20 | 56.4 Ų | 56.4 | 21% | 0.206 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 120.6 | 33.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | S909 G913 S914 V915 | S909-G911 PolarHBondContact O-N 3.14Å; G911-G913 PolarHBondContact O-N 3.36Å; G911-S914 PolarHBondContact O-N 3.36Å; G911-S914 PolarHBondContact O-OG 2.84Å; G911-S914 VanDerWaalsContact O-OG 3.11Å; G911-V915 WeakPolarHBondContact O-CG2 3.28Å; G911-V915 PolarHBondContact O-N 3.44Å |
| 912 | G | 49.3 | Very low | 61.1 | Low | 4 Ų | 4 | 60.7 Ų | 60.7 | 4% | 0.041 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -13.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116 | L908 | L908-G912 PolarHBondContact O-N 2.85Š|
| 913 | G | 46 | Very low | 58.9 | Low | 31 Ų | 31 | 60.1 Ų | 60.1 | 32% | 0.32 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | -26 | 170.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | G911 V915 | G911-G913 PolarHBondContact O-N 3.36Å; G913-V915 VanDerWaalsContact C-N 3.28Å |
| 914 | S | 45.6 | Very low | 56.7 | Low | 90 Ų | 90 | 68 Ų | 68 | 63% | 0.629 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -83.3 | -7.5 | 179.4 | 61.1 | 0 | 0 | 0 | 0 | 112.8 | G911 F916 G917 | G911-S914 PolarHBondContact O-N 3.36Å; G911-S914 PolarHBondContact O-OG 2.84Å; G911-S914 VanDerWaalsContact O-OG 3.11Å; S914-F916 PolarHBondContact O-N 3.38Å; S914-F916 VanDerWaalsContact O-N 3.09Å; S914-G917 WeakPolarHBondContact O-CA 3.47Å; S914-G917 PolarHBondContact O-N 2.88Å |
| 915 | V | 47.7 | Very low | 54.3 | Low | 24 Ų | 24 | 70.4 Ų | 70.4 | 15% | 0.145 | 41% | 0.414 | C | S | . | . | G | 310 helix | trans | -51.3 | -29.6 | 176.9 | 166.3 | 0 | 0 | 0 | 0 | 113.4 | G911 G913 G917 L974 R975 | G911-V915 WeakPolarHBondContact O-CG2 3.28Å; G911-V915 PolarHBondContact O-N 3.44Å; G913-V915 VanDerWaalsContact C-N 3.28Å; V915-G917 VanDerWaalsContact C-N 3.25Å; V915-G917 PolarHBondContact O-N 2.68Å; V915-L974 WeakPolarHBondContact CG1-O 3.2Å; V915-L974 HydrophobicContact CG2-CB 4.03Å; V915-R975 HydrophobicContact CB-CG 4.2Å; V915-R975 HydrophobicContact CG1-CB 4.36Å; V915-R975 HydrophobicContact CG1-CG 3.88Å; V915-R975 HydrophobicContact CG2-CG 3.87Å |
| 916 | F | 44.9 | Very low | 52.4 | Low | 26 Ų | 26 | 64.2 Ų | 64.2 | 11% | 0.114 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -81.3 | 3 | 176.1 | -57.7 | -62.7 | 0 | 0 | 0 | 114.1 | S914 G918 A923 D931 T937 A1010 L1013 | S914-F916 PolarHBondContact O-N 3.38Å; S914-F916 VanDerWaalsContact O-N 3.09Å; F916-G918 PolarHBondContact O-N 3.25Å; F916-G918 VanDerWaalsContact O-N 3.12Å; F916-A923 WeakPolarHBondContact O-CB 3.49Å; F916-D931 WeakPolarHBondContact CE2-OD2 3.45Å; F916-T937 HydrophobicContact CZ-CG2 4.28Å; F916-A1010 HydrophobicContact CE1-CB 3.59Å; F916-A1010 HydrophobicContact CZ-CB 3.65Å; F916-L1013 HydrophobicContact CD1-CD1 3.98Å; F916-L1013 HydrophobicContact CE1-CD1 4.32Å |
| 917 | G | 33.2 | Very low | 50.4 | Low | 69 Ų | 69 | 66.3 Ų | 66.3 | 71% | 0.711 | 40% | 0.4 | S | S | * | . | trans | -76.5 | 18 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | S914 V915 G919 | S914-G917 WeakPolarHBondContact O-CA 3.47Å; S914-G917 PolarHBondContact O-N 2.88Å; V915-G917 VanDerWaalsContact C-N 3.25Å; V915-G917 PolarHBondContact O-N 2.68Å; G917-G919 PolarHBondContact O-N 2.8Å | ||
| 918 | G | 30.3 | Very low | 48.6 | Very low | 48 Ų | 48 | 67.7 Ų | 67.7 | 50% | 0.495 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -76.8 | 118.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F916 A923 | F916-G918 PolarHBondContact O-N 3.25Å; F916-G918 VanDerWaalsContact O-N 3.12Å; G918-A923 WeakPolarHBondContact O-CB 3.11Å; G918-A923 PolarHBondContact O-N 3.35Å |
| 919 | G | 34.8 | Very low | 46.7 | Very low | 59 Ų | 59 | 71.7 Ų | 71.7 | 61% | 0.608 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 36.7 | 111.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | G917 R921 K922 | G917-G919 PolarHBondContact O-N 2.8Å; G919-R921 PolarHBondContact O-N 3.12Å; G919-K922 PolarHBondContact O-N 2.9Å |
| 920 | S | 42.3 | Very low | 45.2 | Very low | 97 Ų | 97 | 72.3 Ų | 72.3 | 68% | 0.678 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -25.9 | -27.4 | -172.2 | -103.2 | 0 | 0 | 0 | 0 | 120.7 | K924 | S920-K924 VanDerWaalsContact O-CD 3.31Å; S920-K924 WeakPolarHBondContact O-CD 3.32Å; S920-K924 WeakPolarHBondContact O-CG 3.47Å |
| 921 | R | 38.8 | Very low | 44.5 | Very low | 223 Ų | 223 | 66.3 Ų | 66.3 | 84% | 0.842 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -38.3 | 179 | -63.1 | -171.6 | -157.2 | -179.5 | 7.1 | 115.3 | G919 S925 | G919-R921 PolarHBondContact O-N 3.12Å; R921-S925 PolarHBondContact O-N 2.9Å; R921-S925 PolarHBondContact O-OG 3.35Å |
| 922 | K | 40.5 | Very low | 44.5 | Very low | 96 Ų | 96 | 68.8 Ų | 68.8 | 42% | 0.417 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -73.5 | -44.4 | -177.2 | -76.9 | -171.3 | 177.4 | -173.7 | 0 | 111 | G919 K924 S925 F926 | G919-K922 PolarHBondContact O-N 2.9Å; K922-K924 PolarHBondContact O-N 3.12Å; K922-S925 WeakPolarHBondContact CA-OG 3.33Å; K922-S925 PolarHBondContact O-N 3.4Å; K922-S925 PolarHBondContact O-OG 3.39Å; K922-F926 WeakPolarHBondContact O-CD2 3.44Å; K922-F926 PolarHBondContact O-N 2.84Å |
| 923 | A | 46.4 | Very low | 44.9 | Very low | 22 Ų | 22 | 70.1 Ų | 70.1 | 18% | 0.182 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -52.4 | -53 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113 | F916 G918 S925 F926 H927 | F916-A923 WeakPolarHBondContact O-CB 3.49Å; G918-A923 WeakPolarHBondContact O-CB 3.11Å; G918-A923 PolarHBondContact O-N 3.35Å; A923-S925 VanDerWaalsContact C-N 3.26Å; A923-S925 PolarHBondContact O-N 3.16Å; A923-F926 PolarHBondContact O-N 3.16Å; A923-H927 WeakPolarHBondContact O-CB 3.37Å; A923-H927 PolarHBondContact O-N 3.37Å; A923-H927 VanDerWaalsContact O-N 3.12Å |
| 924 | K | 46.1 | Very low | 46 | Very low | 167 Ų | 167 | 69.8 Ų | 69.8 | 73% | 0.726 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -64.4 | -27.8 | -176.2 | -72.1 | -174.8 | -177.7 | 179.4 | 0 | 113.5 | S920 K922 | S920-K924 VanDerWaalsContact O-CD 3.31Å; S920-K924 WeakPolarHBondContact O-CD 3.32Å; S920-K924 WeakPolarHBondContact O-CG 3.47Å; K922-K924 PolarHBondContact O-N 3.12Å |
| 925 | S | 40.8 | Very low | 47.7 | Very low | 55 Ų | 55 | 65.8 Ų | 65.8 | 39% | 0.385 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -79.3 | -31.5 | -176.7 | 37.6 | 0 | 0 | 0 | 0 | 113.5 | R921 K922 A923 R1053 | R921-S925 PolarHBondContact O-N 2.9Å; R921-S925 PolarHBondContact O-OG 3.35Å; K922-S925 WeakPolarHBondContact CA-OG 3.33Å; K922-S925 PolarHBondContact O-N 3.4Å; K922-S925 PolarHBondContact O-OG 3.39Å; A923-S925 VanDerWaalsContact C-N 3.26Å; A923-S925 PolarHBondContact O-N 3.16Å; S925-R1053 WeakPolarHBondContact O-CD 3.23Å; S925-R1053 PolarHBondContact O-NH1 2.96Å |
| 926 | F | 51.5 | Low | 49.7 | Very low | 15 Ų | 15 | 64.7 Ų | 64.7 | 7% | 0.066 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -106.9 | -3.7 | -178 | -60.1 | -78.1 | 0 | 0 | 0 | 114.2 | K922 A923 P1009 Y1012 L1013 R1053 A1057 | K922-F926 WeakPolarHBondContact O-CD2 3.44Å; K922-F926 PolarHBondContact O-N 2.84Å; A923-F926 PolarHBondContact O-N 3.16Å; F926-P1009 HydrophobicContact CB-CB 4.28Å; F926-P1009 HydrophobicContact CD1-CB 3.79Å; F926-Y1012 HydrophobicContact CE1-CD1 4.03Å; F926-Y1012 HydrophobicContact CE1-CE1 4.28Å; F926-Y1012 HydrophobicContact CZ-CD1 4.17Å; F926-Y1012 HydrophobicContact CZ-CE1 4.02Å; F926-L1013 HydrophobicContact CB-CD1 3.55Å; F926-L1013 HydrophobicContact CB-CD2 4.33Å; F926-L1013 HydrophobicContact CB-CG 3.79Å; F926-L1013 HydrophobicContact CD2-CD1 4.18Å; F926-L1013 HydrophobicContact CD2-CD2 3.43Å; F926-L1013 VanDerWaalsContact CD2-CD2 3.43Å; F926-L1013 HydrophobicContact CD2-CG 3.86Å; F926-L1013 HydrophobicContact CE2-CD2 3.88Å; F926-L1013 HydrophobicContact CG-CD1 4.15Å; F926-L1013 HydrophobicContact CG-CD2 4Å; F926-L1013 HydrophobicContact CG-CG 3.88Å; F926-R1053 HydrophobicContact CD1-CB 4.43Å; F926-R1053 HydrophobicContact CE1-CB 4.33Å; F926-A1057 HydrophobicContact CE1-CB 4.26Å; F926-A1057 HydrophobicContact CZ-CB 3.78Å |
| 927 | H | 46.6 | Very low | 51.8 | Low | 84 Ų | 84 | 63.8 Ų | 63.8 | 39% | 0.389 | 39% | 0.392 | S | S | . | . | trans | -63.5 | 138.7 | 172.7 | -159 | -87.2 | 0 | 0 | 0 | 111.2 | A923 R1053 | A923-H927 WeakPolarHBondContact O-CB 3.37Å; A923-H927 PolarHBondContact O-N 3.37Å; A923-H927 VanDerWaalsContact O-N 3.12Å; H927-R1053 PolarHBondContact O-NH1 2.82Å | ||
| 928 | I | 49.8 | Very low | 54.7 | Low | 31 Ų | 31 | 61.6 Ų | 61.6 | 16% | 0.159 | 36% | 0.362 | C | S | . | . | trans | -106.6 | 129.2 | 169.3 | -70.3 | 159.8 | 0 | 0 | 0 | 106.4 | Y844 I930 D931 | Y844-I928 HydrophobicContact CE1-CB 4.32Å; Y844-I928 HydrophobicContact CE1-CD1 4.46Å; Y844-I928 HydrophobicContact CE1-CG2 4.33Å; Y844-I928 WeakPolarHBondContact OH-CD1 3.42Å; I928-I930 HydrophobicContact CG2-CB 4.15Å; I928-I930 HydrophobicContact CG2-CD1 4.35Å; I928-I930 HydrophobicContact CG2-CG1 4.4Å; I928-I930 PolarHBondContact O-N 3.45Å; I928-D931 WeakPolarHBondContact O-CB 3.37Å; I928-D931 PolarHBondContact O-N 3.29Å | ||
| 929 | S | 44 | Very low | 57.7 | Low | 118 Ų | 118 | 59.3 Ų | 59.3 | 83% | 0.825 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -21.4 | -174.5 | 50.8 | 0 | 0 | 0 | 0 | 114.5 | D931 | S929-D931 VanDerWaalsContact C-N 3.33Š|
| 930 | I | 49.2 | Very low | 60.5 | Low | 99 Ų | 99 | 56.5 Ų | 56.5 | 51% | 0.508 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -15.6 | 179.3 | -56.8 | 160 | 0 | 0 | 0 | 111.9 | Y844 I928 S932 | Y844-I930 HydrophobicContact CD1-CB 4.49Å; Y844-I930 HydrophobicContact CD1-CG2 4.4Å; I928-I930 HydrophobicContact CG2-CB 4.15Å; I928-I930 HydrophobicContact CG2-CD1 4.35Å; I928-I930 HydrophobicContact CG2-CG1 4.4Å; I928-I930 PolarHBondContact O-N 3.45Å; I930-S932 PolarHBondContact O-N 2.96Å |
| 931 | D | 52.9 | Low | 63 | Low | 15 Ų | 15 | 51.9 Ų | 51.9 | 8% | 0.08 | 28% | 0.278 | C | S | . | . | trans | -68.5 | 104.5 | -179 | -159 | -18.1 | 0 | 0 | 0 | 110.6 | Y844 F916 I928 S929 G933 R935 | Y844-D931 HydrophobicContact CD1-CB 4.42Å; Y844-D931 HydrophobicContact CE1-CB 4.06Å; F916-D931 WeakPolarHBondContact CE2-OD2 3.45Å; I928-D931 WeakPolarHBondContact O-CB 3.37Å; I928-D931 PolarHBondContact O-N 3.29Å; S929-D931 VanDerWaalsContact C-N 3.33Å; D931-G933 PolarHBondContact O-N 2.92Å; D931-G933 PolarHBondContact OD1-N 3.17Å; D931-R935 IonicContact OD1-NE 3.89Å; D931-R935 IonicContact OD2-CZ 2.92Å; D931-R935 IonicContact OD2-NE 3.14Å; D931-R935 PolarHBondContact OD2-NE 3.43Å; D931-R935 IonicContact OD2-NH2 2.97Å; D931-R935 PolarHBondContact OD2-NH2 3.34Å | ||
| 932 | S | 53.5 | Low | 65.8 | Low | 71 Ų | 71 | 41.3 Ų | 41.3 | 50% | 0.497 | 24% | 0.238 | S | C | . | . | trans | -85.8 | 13.2 | -177.3 | 85.2 | 0 | 0 | 0 | 0 | 113.1 | R849 I930 | R849-S932 PolarHBondContact NH2-OG 3.44Å; I930-S932 PolarHBondContact O-N 2.96Å | ||
| 933 | G | 58.7 | Low | 68.4 | Low | 32 Ų | 32 | 36.9 Ų | 36.9 | 33% | 0.33 | 22% | 0.219 | S | C | . | . | S | Bend | trans | 73.8 | 158.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | R849 D931 R935 | R849-G933 PolarHBondContact NH2-O 3.27Å; D931-G933 PolarHBondContact O-N 2.92Å; D931-G933 PolarHBondContact OD1-N 3.17Å; G933-R935 VanDerWaalsContact C-N 3.34Å; G933-R935 PolarHBondContact O-N 3.35Å |
| 934 | G | 67.9 | Low | 70.8 | Confident | 25 Ų | 25 | 35.9 Ų | 35.9 | 26% | 0.258 | 21% | 0.21 | S | C | . | . | trans | 70.1 | 25.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 935 | R | 82.6 | Confident | 73.2 | Confident | 6 Ų | 6 | 27.9 Ų | 27.9 | 2% | 0.023 | 18% | 0.175 | C | C | . | . | P | Polyproline II helix | trans | -91.8 | 158.7 | 171.3 | 72.2 | 167.7 | 177 | 122.1 | -3.7 | 111.2 | Y844 D931 G933 D1008 | Y844-R935 PolarHBondContact OH-NH2 3.32Å; Y844-R935 VanDerWaalsContact OH-NH2 3.15Å; D931-R935 IonicContact OD1-NE 3.89Å; D931-R935 IonicContact OD2-CZ 2.92Å; D931-R935 IonicContact OD2-NE 3.14Å; D931-R935 PolarHBondContact OD2-NE 3.43Å; D931-R935 IonicContact OD2-NH2 2.97Å; D931-R935 PolarHBondContact OD2-NH2 3.34Å; G933-R935 VanDerWaalsContact C-N 3.34Å; G933-R935 PolarHBondContact O-N 3.35Å; R935-D1008 IonicContact CZ-OD2 3.54Å; R935-D1008 IonicContact NH1-OD2 3.85Å; R935-D1008 PolarHBondContact NH1-OD2 2.96Å; R935-D1008 IonicContact NH2-OD2 3.91Å |
| 936 | L | 88.3 | Confident | 75.9 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -84.6 | 141.1 | 165.6 | -159.2 | 57.8 | 0 | 0 | 0 | 108.4 | L841 S842 L904 L908 H940 A941 F944 L974 | L841-L936 HydrophobicContact CB-CB 4.07Å; L841-L936 HydrophobicContact CB-CD2 4.39Å; L841-L936 PolarHBondContact O-N 2.98Å; S842-L936 WeakPolarHBondContact CA-O 3.29Å; S842-L936 WeakPolarHBondContact CB-O 3.44Å; L904-L936 HydrophobicContact CD1-CD2 4Å; L908-L936 HydrophobicContact CD2-CD1 4.33Å; L936-H940 HydrophobicContact CD1-CB 3.33Å; L936-H940 HydrophobicContact CD2-CB 4.26Å; L936-H940 HydrophobicContact CG-CB 3.58Å; L936-A941 VanDerWaalsContact CD2-CA 3.44Å; L936-A941 HydrophobicContact CD2-CB 3.81Å; L936-A941 HydrophobicContact CG-CB 4.26Å; L936-F944 HydrophobicContact CD2-CD2 4.27Å; L936-L974 HydrophobicContact CD1-CD1 3.99Å; L936-L974 HydrophobicContact CD1-CD2 3.75Å |
| 937 | T | 90.4 | Very high | 78 | Confident | 7 Ų | 7 | 25.9 Ų | 25.9 | 4% | 0.043 | 16% | 0.159 | C | C | . | . | P | Polyproline II helix | trans | -72.4 | 160.6 | 167.3 | 70.9 | 0 | 0 | 0 | 0 | 109.2 | F916 I939 H940 A941 A1010 D1011 V1014 | F916-T937 HydrophobicContact CZ-CG2 4.28Å; T937-I939 PolarHBondContact O-N 3.22Å; T937-H940 PolarHBondContact O-N 3.3Å; T937-H940 VanDerWaalsContact O-N 3.14Å; T937-H940 PolarHBondContact OG1-ND1 3.23Å; T937-A941 PolarHBondContact O-N 3.1Å; T937-A1010 HydrophobicContact CG2-CB 4.5Å; T937-D1011 WeakPolarHBondContact CB-OD1 3.21Å; T937-V1014 HydrophobicContact CG2-CG2 3.88Å |
| 938 | K | 92.7 | Very high | 80.3 | Confident | 22 Ų | 22 | 21.9 Ų | 21.9 | 10% | 0.096 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.6 | -36.3 | -179.4 | -174.8 | 177.1 | 175.4 | -174.3 | 0 | 110.8 | Y763 L767 H940 A941 N942 D1004 S1005 D1011 | Y763-K938 WeakPolarHBondContact O-CE 3.41Å; Y763-K938 PolarHBondContact O-NZ 3.23Å; L767-K938 HydrophobicContact CD1-CB 4.34Å; L767-K938 HydrophobicContact CD1-CD 4.31Å; L767-K938 HydrophobicContact CD2-CB 4.43Å; K938-H940 PolarHBondContact O-N 3.05Å; K938-A941 PolarHBondContact O-N 2.88Å; K938-N942 WeakPolarHBondContact O-CB 3.24Å; K938-N942 PolarHBondContact O-N 3.16Å; K938-D1004 PolarHBondContact NZ-O 3.46Å; K938-S1005 WeakPolarHBondContact CD-O 3.28Å; K938-D1011 WeakPolarHBondContact CB-OD1 3.48Å; K938-D1011 WeakPolarHBondContact CB-OD2 3.42Å; K938-D1011 PolarHBondContact N-OD1 2.85Å |
| 939 | I | 94 | Very high | 82.4 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -53.4 | -51.2 | 172.5 | -67.4 | 167.4 | 0 | 0 | 0 | 112.3 | T937 N942 F943 V977 D1011 V1014 M1015 | T937-I939 PolarHBondContact O-N 3.22Å; I939-N942 PolarHBondContact O-N 3.01Å; I939-F943 WeakPolarHBondContact O-CB 3.49Å; I939-F943 PolarHBondContact O-N 2.89Å; I939-V977 HydrophobicContact CG2-CG1 4.48Å; I939-V977 HydrophobicContact CG2-CG2 4.32Å; I939-D1011 HydrophobicContact CD1-CB 3.74Å; I939-D1011 WeakPolarHBondContact CD1-O 2.98Å; I939-D1011 HydrophobicContact CG1-CB 4Å; I939-D1011 PolarHBondContact N-OD1 2.98Å; I939-V1014 HydrophobicContact CD1-CB 4.11Å; I939-V1014 HydrophobicContact CD1-CG1 4.28Å; I939-M1015 HydrophobicContact CD1-CE 3.44Å; I939-M1015 VanDerWaalsContact CD1-CE 3.44Å; I939-M1015 HydrophobicContact CD1-CG 3.55Å; I939-M1015 HydrophobicContact CD1-SD 4.33Å; I939-M1015 HydrophobicContact CG1-CE 3.86Å |
| 940 | H | 93.5 | Very high | 84.8 | Confident | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -71 | -37 | -177.7 | -63.4 | 105.9 | 0 | 0 | 0 | 111.4 | L936 T937 K938 F943 F944 L974 Y976 | L936-H940 HydrophobicContact CD1-CB 3.33Å; L936-H940 HydrophobicContact CD2-CB 4.26Å; L936-H940 HydrophobicContact CG-CB 3.58Å; T937-H940 PolarHBondContact O-N 3.3Å; T937-H940 VanDerWaalsContact O-N 3.14Å; T937-H940 PolarHBondContact OG1-ND1 3.23Å; K938-H940 PolarHBondContact O-N 3.05Å; H940-F943 WeakPolarHBondContact O-CB 3.4Å; H940-F943 PolarHBondContact O-N 3.31Å; H940-F944 VanDerWaalsContact O-CD2 3.24Å; H940-F944 WeakPolarHBondContact O-CD2 3.26Å; H940-F944 PolarHBondContact O-N 3.14Å; H940-L974 HydrophobicContact CB-CD2 4.04Å; H940-L974 VanDerWaalsContact CE1-C 3.46Å; H940-L974 PolarHBondContact CE1-O 2.99Å; H940-L974 WeakPolarHBondContact NE2-CA 3.36Å; H940-Y976 PolarHBondContact NE2-O 3.01Å |
| 941 | A | 95.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.5 | -50.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111 | L936 T937 K938 F943 F944 I945 | L936-A941 VanDerWaalsContact CD2-CA 3.44Å; L936-A941 HydrophobicContact CD2-CB 3.81Å; L936-A941 HydrophobicContact CG-CB 4.26Å; T937-A941 PolarHBondContact O-N 3.1Å; K938-A941 PolarHBondContact O-N 2.88Å; A941-F943 VanDerWaalsContact C-N 3.29Å; A941-F943 PolarHBondContact O-N 2.93Å; A941-F944 PolarHBondContact O-N 3.43Å; A941-F944 VanDerWaalsContact O-N 3.16Å; A941-I945 VanDerWaalsContact O-CG1 3.25Å; A941-I945 WeakPolarHBondContact O-CG1 3.33Å; A941-I945 PolarHBondContact O-N 3.14Å |
| 942 | N | 96.7 | Very high | 88.3 | Confident | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.4 | -33.2 | 177.2 | -79.1 | -1.8 | 0 | 0 | 0 | 112.9 | K938 I939 I945 R946 L1001 D1004 S1005 | K938-N942 WeakPolarHBondContact O-CB 3.24Å; K938-N942 PolarHBondContact O-N 3.16Å; I939-N942 PolarHBondContact O-N 3.01Å; N942-I945 PolarHBondContact O-N 3.2Å; N942-R946 WeakPolarHBondContact O-CB 3.38Å; N942-R946 VanDerWaalsContact O-CG 3.3Å; N942-R946 WeakPolarHBondContact O-CG 3.42Å; N942-R946 PolarHBondContact O-N 2.88Å; N942-L1001 HydrophobicContact CB-CD1 3.88Å; N942-D1004 PolarHBondContact ND2-O 2.92Å; N942-S1005 VanDerWaalsContact CB-OG 3.25Å; N942-S1005 WeakPolarHBondContact CB-OG 3.33Å; N942-S1005 PolarHBondContact ND2-OG 3.19Å |
| 943 | F | 96.1 | Very high | 90 | Very high | 2 Ų | 2 | 15.2 Ų | 15.2 | 1% | 0.009 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.1 | -54.1 | 171.2 | 174.4 | -93.3 | 0 | 0 | 0 | 110.5 | I939 H940 A941 I945 R946 V947 L966 I972 P978 W997 L1001 | I939-F943 WeakPolarHBondContact O-CB 3.49Å; I939-F943 PolarHBondContact O-N 2.89Å; H940-F943 WeakPolarHBondContact O-CB 3.4Å; H940-F943 PolarHBondContact O-N 3.31Å; A941-F943 VanDerWaalsContact C-N 3.29Å; A941-F943 PolarHBondContact O-N 2.93Å; F943-I945 VanDerWaalsContact C-N 3.33Å; F943-I945 PolarHBondContact O-N 2.73Å; F943-R946 PolarHBondContact O-N 2.62Å; F943-V947 HydrophobicContact CD1-CG2 3.94Å; F943-V947 HydrophobicContact CE1-CG2 3.52Å; F943-V947 HydrophobicContact CE2-CG2 4.18Å; F943-V947 HydrophobicContact CG-CG2 4.41Å; F943-V947 HydrophobicContact CZ-CG2 3.68Å; F943-V947 WeakPolarHBondContact O-CG2 3.15Å; F943-V947 PolarHBondContact O-N 3.26Å; F943-L966 HydrophobicContact CE1-CD2 4.45Å; F943-I972 HydrophobicContact CD1-CD1 3.97Å; F943-I972 HydrophobicContact CE1-CD1 3.29Å; F943-I972 HydrophobicContact CZ-CD1 4.07Å; F943-P978 HydrophobicContact CD1-CB 4.44Å; F943-P978 HydrophobicContact CD1-CG 4.09Å; F943-P978 HydrophobicContact CD2-CB 3.86Å; F943-P978 HydrophobicContact CD2-CG 3.97Å; F943-P978 HydrophobicContact CE1-CB 4.26Å; F943-P978 HydrophobicContact CE1-CG 4.34Å; F943-P978 HydrophobicContact CE2-CB 3.64Å; F943-P978 HydrophobicContact CE2-CG 4.21Å; F943-P978 HydrophobicContact CG-CB 4.26Å; F943-P978 HydrophobicContact CG-CG 3.91Å; F943-P978 HydrophobicContact CZ-CB 3.84Å; F943-P978 HydrophobicContact CZ-CG 4.39Å; F943-W997 AromaticContact CD2-CH2 3.88Å; F943-W997 HydrophobicContact CD2-CH2 3.88Å; F943-W997 HydrophobicContact CD2-CZ3 4.44Å; F943-W997 AromaticContact CE2-CH2 3.98Å; F943-W997 HydrophobicContact CE2-CH2 3.98Å; F943-W997 HydrophobicContact CE2-CZ3 4.48Å; F943-L1001 HydrophobicContact CB-CD1 4.28Å; F943-L1001 HydrophobicContact CB-CD2 4.15Å; F943-L1001 HydrophobicContact CD2-CD2 4Å |
| 944 | F | 96.4 | Very high | 91.3 | Very high | 1 Ų | 1 | 18 Ų | 18 | 0% | 0.004 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.8 | -35.6 | 179.1 | -79.5 | -74 | 0 | 0 | 0 | 112.9 | V838 V900 L904 L936 H940 A941 V947 L948 I972 | V838-F944 HydrophobicContact CG1-CB 3.76Å; V900-F944 HydrophobicContact CG1-CD1 3.81Å; V900-F944 HydrophobicContact CG1-CE1 4.21Å; L904-F944 HydrophobicContact CB-CD1 4.23Å; L904-F944 HydrophobicContact CB-CE1 3.84Å; L904-F944 HydrophobicContact CB-CE2 4.44Å; L904-F944 HydrophobicContact CB-CZ 3.95Å; L904-F944 HydrophobicContact CD1-CD2 3.69Å; L904-F944 HydrophobicContact CD1-CE1 4.42Å; L904-F944 HydrophobicContact CD1-CE2 3.58Å; L904-F944 HydrophobicContact CD1-CG 4.19Å; L904-F944 HydrophobicContact CD1-CZ 3.96Å; L936-F944 HydrophobicContact CD2-CD2 4.27Å; H940-F944 VanDerWaalsContact O-CD2 3.24Å; H940-F944 WeakPolarHBondContact O-CD2 3.26Å; H940-F944 PolarHBondContact O-N 3.14Å; A941-F944 PolarHBondContact O-N 3.43Å; A941-F944 VanDerWaalsContact O-N 3.16Å; F944-V947 WeakPolarHBondContact O-CB 3.47Å; F944-V947 PolarHBondContact O-N 3.01Å; F944-L948 WeakPolarHBondContact O-CB 3.36Å; F944-L948 WeakPolarHBondContact O-CG 3.41Å; F944-L948 PolarHBondContact O-N 3.28Å; F944-I972 HydrophobicContact CE1-CD1 4.08Å; F944-I972 HydrophobicContact CE2-CD1 4.24Å; F944-I972 HydrophobicContact CZ-CD1 3.63Å; F944-I972 HydrophobicContact CZ-CG1 4.33Å |
| 945 | I | 97.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.6 | -47.5 | 173.6 | -66.3 | 164.1 | 0 | 0 | 0 | 110.4 | L759 A762 Y763 C835 V838 A839 A941 N942 F943 V947 L948 K949 | L759-I945 HydrophobicContact CD1-CG2 3.9Å; A762-I945 HydrophobicContact CB-CD1 4.02Å; Y763-I945 HydrophobicContact CD1-CG2 4.02Å; Y763-I945 HydrophobicContact CE1-CB 4.06Å; Y763-I945 HydrophobicContact CE1-CG2 3.4Å; Y763-I945 VanDerWaalsContact CE1-CG2 3.4Å; C835-I945 HydrophobicContact CB-CG1 4.28Å; C835-I945 HydrophobicContact CB-CG2 3.94Å; V838-I945 HydrophobicContact CB-CG1 4.46Å; V838-I945 HydrophobicContact CG1-CG1 4.21Å; A839-I945 HydrophobicContact CB-CD1 3.76Å; A941-I945 VanDerWaalsContact O-CG1 3.25Å; A941-I945 WeakPolarHBondContact O-CG1 3.33Å; A941-I945 PolarHBondContact O-N 3.14Å; N942-I945 PolarHBondContact O-N 3.2Å; F943-I945 VanDerWaalsContact C-N 3.33Å; F943-I945 PolarHBondContact O-N 2.73Å; I945-V947 PolarHBondContact O-N 3.44Å; I945-L948 PolarHBondContact O-N 3.47Å; I945-K949 WeakPolarHBondContact O-CG 3.48Å; I945-K949 PolarHBondContact O-N 3.01Å |
| 946 | R | 96.4 | Very high | 92.7 | Very high | 26 Ų | 26 | 26.1 Ų | 26.1 | 10% | 0.098 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.5 | -39.4 | 177.1 | -70.5 | 178.6 | -169.9 | -84.1 | -2.6 | 112.2 | Y763 N942 F943 K949 I950 W997 D1004 | Y763-R946 HydrophobicContact CE1-CG 3.87Å; N942-R946 WeakPolarHBondContact O-CB 3.38Å; N942-R946 VanDerWaalsContact O-CG 3.3Å; N942-R946 WeakPolarHBondContact O-CG 3.42Å; N942-R946 PolarHBondContact O-N 2.88Å; F943-R946 PolarHBondContact O-N 2.62Å; R946-K949 PolarHBondContact O-N 2.77Å; R946-I950 VanDerWaalsContact O-CG1 3.3Å; R946-I950 WeakPolarHBondContact O-CG1 3.45Å; R946-I950 PolarHBondContact O-N 3.04Å; R946-W997 HydrophobicContact CB-CZ2 3.76Å; R946-W997 HydrophobicContact CG-CZ2 4.47Å; R946-D1004 IonicContact CZ-OD2 3.3Å; R946-D1004 IonicContact NH2-OD2 3.14Å; R946-D1004 PolarHBondContact NH2-OD2 3.19Å |
| 947 | V | 95.5 | Very high | 92.9 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -56.8 | -53.2 | 173.2 | 169.3 | 0 | 0 | 0 | 0 | 109.8 | V900 F943 F944 I945 K949 I950 L951 I962 L966 | V900-V947 HydrophobicContact CG1-CG1 3.99Å; V900-V947 HydrophobicContact CG2-CG1 3.92Å; F943-V947 HydrophobicContact CD1-CG2 3.94Å; F943-V947 HydrophobicContact CE1-CG2 3.52Å; F943-V947 HydrophobicContact CE2-CG2 4.18Å; F943-V947 HydrophobicContact CG-CG2 4.41Å; F943-V947 HydrophobicContact CZ-CG2 3.68Å; F943-V947 WeakPolarHBondContact O-CG2 3.15Å; F943-V947 PolarHBondContact O-N 3.26Å; F944-V947 WeakPolarHBondContact O-CB 3.47Å; F944-V947 PolarHBondContact O-N 3.01Å; I945-V947 PolarHBondContact O-N 3.44Å; V947-K949 PolarHBondContact O-N 2.9Å; V947-I950 PolarHBondContact O-N 3.3Å; V947-L951 WeakPolarHBondContact O-CG 3.21Å; V947-L951 PolarHBondContact O-N 3.29Å; V947-I962 HydrophobicContact CB-CG2 4.33Å; V947-I962 HydrophobicContact CG1-CG2 4.17Å; V947-I962 HydrophobicContact CG2-CG2 3.66Å; V947-L966 HydrophobicContact CG1-CD1 3.61Å |
| 948 | L | 95.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.8 | -37.3 | 179.3 | -75.4 | 173.6 | 0 | 0 | 0 | 111.8 | Y829 L834 V838 I897 V900 F944 I945 L951 | Y829-L948 HydrophobicContact CE2-CB 4.37Å; Y829-L948 HydrophobicContact CE2-CD2 4.39Å; Y829-L948 WeakPolarHBondContact CE2-O 3.33Å; Y829-L948 PolarHBondContact OH-O 3.36Å; L834-L948 HydrophobicContact CD2-CD1 4.12Å; L834-L948 HydrophobicContact CD2-CD2 4.07Å; L834-L948 HydrophobicContact CG-CD1 4.07Å; V838-L948 HydrophobicContact CG2-CD1 3.99Å; I897-L948 HydrophobicContact CG1-CD2 4.49Å; I897-L948 HydrophobicContact CG2-CD2 4.35Å; V900-L948 HydrophobicContact CG1-CD2 4.18Å; V900-L948 HydrophobicContact CG1-CG 4.5Å; F944-L948 WeakPolarHBondContact O-CB 3.36Å; F944-L948 WeakPolarHBondContact O-CG 3.41Å; F944-L948 PolarHBondContact O-N 3.28Å; I945-L948 PolarHBondContact O-N 3.47Å; L948-L951 HydrophobicContact CD2-CD1 4.27Å |
| 949 | K | 94.5 | Very high | 93.1 | Very high | 56 Ų | 56 | 27.9 Ų | 27.9 | 24% | 0.243 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.4 | -41 | 173.4 | -69.3 | -61.8 | -63.8 | 176.1 | 0 | 112.7 | L759 N832 I945 R946 V947 L951 S952 | L759-K949 HydrophobicContact CD1-CD 4.02Å; L759-K949 HydrophobicContact CD1-CG 4.18Å; L759-K949 HydrophobicContact CD2-CD 4Å; L759-K949 HydrophobicContact CD2-CG 4.47Å; N832-K949 VanDerWaalsContact OD1-CD 3.24Å; N832-K949 WeakPolarHBondContact OD1-CD 3.25Å; N832-K949 PolarHBondContact OD1-NZ 3.28Å; I945-K949 WeakPolarHBondContact O-CG 3.48Å; I945-K949 PolarHBondContact O-N 3.01Å; R946-K949 PolarHBondContact O-N 2.77Å; V947-K949 PolarHBondContact O-N 2.9Å; K949-L951 VanDerWaalsContact C-N 3.3Å; K949-L951 PolarHBondContact O-N 3.17Å; K949-S952 PolarHBondContact O-N 2.92Å; K949-S952 PolarHBondContact O-OG 3.21Å |
| 950 | I | 93.6 | Very high | 93 | Very high | 10 Ų | 10 | 33.1 Ų | 33.1 | 5% | 0.051 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69.7 | -27.3 | -177.5 | -72 | 166.5 | 0 | 0 | 0 | 112 | R946 V947 S952 Q953 M958 F959 I962 W997 | R946-I950 VanDerWaalsContact O-CG1 3.3Å; R946-I950 WeakPolarHBondContact O-CG1 3.45Å; R946-I950 PolarHBondContact O-N 3.04Å; V947-I950 PolarHBondContact O-N 3.3Å; I950-S952 PolarHBondContact O-N 3.37Å; I950-Q953 CarbonylContact O-C 3.47Å; I950-Q953 WeakPolarHBondContact O-CA 3.42Å; I950-Q953 PolarHBondContact O-N 2.72Å; I950-M958 HydrophobicContact CD1-CB 3.91Å; I950-F959 HydrophobicContact CG2-CB 3.94Å; I950-F959 HydrophobicContact CG2-CD2 4.05Å; I950-F959 HydrophobicContact CG2-CG 4.45Å; I950-I962 HydrophobicContact CD1-CD1 3.26Å; I950-I962 HydrophobicContact CG2-CD1 4.48Å; I950-W997 HydrophobicContact CD1-CZ2 4.08Å |
| 951 | L | 89.3 | Confident | 92.9 | Very high | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.8 | -29.8 | 174.8 | -64.1 | -177 | 0 | 0 | 0 | 113.4 | Q896 I897 V900 V947 L948 K949 Q953 F959 W963 | Q896-L951 HydrophobicContact CB-CD1 4.11Å; Q896-L951 HydrophobicContact CB-CD2 4.17Å; I897-L951 HydrophobicContact CG1-CD1 3.96Å; V900-L951 HydrophobicContact CG2-CD1 3.85Å; V947-L951 WeakPolarHBondContact O-CG 3.21Å; V947-L951 PolarHBondContact O-N 3.29Å; L948-L951 HydrophobicContact CD2-CD1 4.27Å; K949-L951 VanDerWaalsContact C-N 3.3Å; K949-L951 PolarHBondContact O-N 3.17Å; L951-Q953 PolarHBondContact O-N 3.13Å; L951-F959 HydrophobicContact CD2-CE2 4.19Å; L951-W963 HydrophobicContact CD2-CE3 3.83Å; L951-W963 HydrophobicContact CD2-CZ3 3.66Å |
| 952 | S | 86.5 | Confident | 92.7 | Very high | 48 Ų | 48 | 33.8 Ų | 33.8 | 34% | 0.336 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 0 | 175.3 | 66.8 | 0 | 0 | 0 | 0 | 114.3 | Y829 K949 I950 | Y829-S952 PolarHBondContact OH-N 3.02Å; K949-S952 PolarHBondContact O-N 2.92Å; K949-S952 PolarHBondContact O-OG 3.21Å; I950-S952 PolarHBondContact O-N 3.37Å |
| 953 | Q | 90 | Very high | 92.5 | Very high | 75 Ų | 75 | 35.9 Ų | 35.9 | 35% | 0.35 | 18% | 0.179 | S | C | . | . | trans | -136.8 | 70.2 | -173.4 | -60.1 | 178.7 | -2.1 | 0 | 0 | 111.1 | I950 L951 E955 N956 | I950-Q953 CarbonylContact O-C 3.47Å; I950-Q953 WeakPolarHBondContact O-CA 3.42Å; I950-Q953 PolarHBondContact O-N 2.72Å; L951-Q953 PolarHBondContact O-N 3.13Å; Q953-E955 PolarHBondContact O-N 3.11Å; Q953-N956 HydrophobicContact CB-CB 3.92Å; Q953-N956 WeakPolarHBondContact O-CB 3.49Å; Q953-N956 PolarHBondContact O-N 3.25Å; Q953-N956 PolarHBondContact OE1-ND2 3.45Å; Q953-N956 VanDerWaalsContact OE1-ND2 3.1Å | ||
| 954 | P | 85.8 | Confident | 92.2 | Very high | 89 Ų | 89 | 39.4 Ų | 39.4 | 58% | 0.578 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -23.6 | 179.3 | 26.1 | -35.1 | 0 | 0 | 0 | 113.6 | N956 | P954-N956 PolarHBondContact O-N 2.91Š|
| 955 | E | 89.5 | Confident | 91.9 | Very high | 152 Ų | 152 | 40 Ų | 40 | 71% | 0.71 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -12.5 | 174.7 | 72.6 | -75.1 | 177.1 | 0 | 0 | 113.9 | Q953 | Q953-E955 PolarHBondContact O-N 3.11Š|
| 956 | N | 90.5 | Very high | 91.5 | Very high | 50 Ų | 50 | 40 Ų | 40 | 27% | 0.267 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -71.6 | 130.7 | -179.2 | -168.1 | -44.6 | 0 | 0 | 0 | 110.5 | Q953 P954 M958 F959 | Q953-N956 HydrophobicContact CB-CB 3.92Å; Q953-N956 WeakPolarHBondContact O-CB 3.49Å; Q953-N956 PolarHBondContact O-N 3.25Å; Q953-N956 PolarHBondContact OE1-ND2 3.45Å; Q953-N956 VanDerWaalsContact OE1-ND2 3.1Å; P954-N956 PolarHBondContact O-N 2.91Å; N956-M958 PolarHBondContact O-N 3.06Å; N956-M958 VanDerWaalsContact O-N 3.08Å; N956-M958 WeakPolarHBondContact OD1-CB 3.49Å; N956-M958 PolarHBondContact OD1-N 3.27Å; N956-F959 WeakPolarHBondContact O-CB 3.43Å; N956-F959 PolarHBondContact O-N 3.48Å |
| 957 | H | 92.2 | Very high | 91.3 | Very high | 39 Ų | 39 | 43.3 Ų | 43.3 | 18% | 0.181 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -36.4 | 176.8 | 179 | 70.3 | 0 | 0 | 0 | 112.9 | F959 P961 K990 E994 | H957-F959 PolarHBondContact O-N 3.48Å; H957-P961 WeakPolarHBondContact O-CD 3.37Å; H957-K990 HydrophobicContact CB-CD 4.36Å; H957-K990 WeakPolarHBondContact ND1-CD 3.42Å; H957-E994 IonicContact CD2-OE1 3.56Å; H957-E994 IonicContact CE1-OE1 3.45Å; H957-E994 IonicContact NE2-OE1 3.54Å; H957-E994 PolarHBondContact NE2-OE1 3.21Å |
| 958 | M | 93.2 | Very high | 91 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -12.9 | -179.5 | -64 | -56.9 | -55.3 | 0 | 0 | 113.8 | I950 N956 P961 I962 L983 I993 E994 W997 | I950-M958 HydrophobicContact CD1-CB 3.91Å; N956-M958 PolarHBondContact O-N 3.06Å; N956-M958 VanDerWaalsContact O-N 3.08Å; N956-M958 WeakPolarHBondContact OD1-CB 3.49Å; N956-M958 PolarHBondContact OD1-N 3.27Å; M958-P961 WeakPolarHBondContact O-CD 3.19Å; M958-I962 HydrophobicContact CB-CD1 4.05Å; M958-I962 HydrophobicContact CE-CD1 4.36Å; M958-I962 HydrophobicContact CE-CG1 4.43Å; M958-I962 VanDerWaalsContact O-CB 3.27Å; M958-I962 WeakPolarHBondContact O-CB 3.31Å; M958-I962 WeakPolarHBondContact O-CD1 3.41Å; M958-I962 WeakPolarHBondContact O-CG1 3.46Å; M958-I962 PolarHBondContact O-N 3.48Å; M958-I962 VanDerWaalsContact O-N 3.16Å; M958-L983 HydrophobicContact CE-CD1 4.22Å; M958-L983 HydrophobicContact CE-CD2 4.21Å; M958-I993 HydrophobicContact CG-CG2 4.39Å; M958-I993 HydrophobicContact SD-CG2 4.29Å; M958-E994 HydrophobicContact CE-CG 4.42Å; M958-E994 HydrophobicContact SD-CB 4.32Å; M958-E994 HydrophobicContact SD-CG 3.77Å; M958-W997 HydrophobicContact CE-CB 3.91Å; M958-W997 HydrophobicContact CE-CD2 3.63Å; M958-W997 HydrophobicContact CE-CE3 3.83Å; M958-W997 HydrophobicContact CE-CG 3.66Å; M958-W997 HydrophobicContact CG-CB 4.34Å; M958-W997 HydrophobicContact CG-CG 4.02Å; M958-W997 HydrophobicContact SD-CB 3.98Å; M958-W997 HydrophobicContact SD-CG 4.1Å |
| 959 | F | 93.1 | Very high | 90.5 | Very high | 26 Ų | 26 | 53.5 Ų | 53.5 | 11% | 0.114 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.6 | -54.1 | 178.1 | -175.5 | -87.2 | 0 | 0 | 0 | 111.1 | I950 L951 N956 H957 I962 W963 | I950-F959 HydrophobicContact CG2-CB 3.94Å; I950-F959 HydrophobicContact CG2-CD2 4.05Å; I950-F959 HydrophobicContact CG2-CG 4.45Å; L951-F959 HydrophobicContact CD2-CE2 4.19Å; N956-F959 WeakPolarHBondContact O-CB 3.43Å; N956-F959 PolarHBondContact O-N 3.48Å; H957-F959 PolarHBondContact O-N 3.48Å; F959-I962 PolarHBondContact O-N 3.03Å; F959-W963 HydrophobicContact CE1-CB 4.34Å; F959-W963 HydrophobicContact CE1-CG 4.35Å; F959-W963 WeakPolarHBondContact O-CB 3.37Å; F959-W963 PolarHBondContact O-N 2.98Å |
| 960 | Q | 92.1 | Very high | 90 | Very high | 111 Ų | 111 | 55 Ų | 55 | 52% | 0.519 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.5 | -49.6 | -177.2 | -172.3 | 73 | 38.9 | 0 | 0 | 113.2 | I962 W963 N964 | Q960-I962 VanDerWaalsContact C-N 3.28Å; Q960-I962 PolarHBondContact O-N 3.24Å; Q960-W963 PolarHBondContact O-N 2.95Å; Q960-N964 PolarHBondContact NE2-OD1 2.86Å; Q960-N964 WeakPolarHBondContact O-CB 3.44Å; Q960-N964 PolarHBondContact O-N 3.49Å; Q960-N964 PolarHBondContact O-OD1 3.3Å |
| 961 | P | 91.2 | Very high | 89.7 | Confident | 10 Ų | 10 | 55.3 Ų | 55.3 | 7% | 0.065 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.6 | -37.6 | 177.4 | -25.9 | 35 | 0 | 0 | 0 | 113.6 | H957 M958 C965 R982 L983 | H957-P961 WeakPolarHBondContact O-CD 3.37Å; M958-P961 WeakPolarHBondContact O-CD 3.19Å; P961-C965 PolarHBondContact O-N 3.43Å; P961-R982 PolarHBondContact O-NH2 3.24Å; P961-L983 HydrophobicContact CB-CD2 3.96Å |
| 962 | I | 91.8 | Very high | 89.7 | Confident | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -76.6 | -43.1 | -179.7 | -70.5 | 172.6 | 0 | 0 | 0 | 110.7 | V947 I950 M958 F959 Q960 N964 C965 L966 W997 | V947-I962 HydrophobicContact CB-CG2 4.33Å; V947-I962 HydrophobicContact CG1-CG2 4.17Å; V947-I962 HydrophobicContact CG2-CG2 3.66Å; I950-I962 HydrophobicContact CD1-CD1 3.26Å; I950-I962 HydrophobicContact CG2-CD1 4.48Å; M958-I962 HydrophobicContact CB-CD1 4.05Å; M958-I962 HydrophobicContact CE-CD1 4.36Å; M958-I962 HydrophobicContact CE-CG1 4.43Å; M958-I962 VanDerWaalsContact O-CB 3.27Å; M958-I962 WeakPolarHBondContact O-CB 3.31Å; M958-I962 WeakPolarHBondContact O-CD1 3.41Å; M958-I962 WeakPolarHBondContact O-CG1 3.46Å; M958-I962 PolarHBondContact O-N 3.48Å; M958-I962 VanDerWaalsContact O-N 3.16Å; F959-I962 PolarHBondContact O-N 3.03Å; Q960-I962 VanDerWaalsContact C-N 3.28Å; Q960-I962 PolarHBondContact O-N 3.24Å; I962-N964 VanDerWaalsContact C-N 3.31Å; I962-N964 PolarHBondContact O-N 3.14Å; I962-C965 WeakPolarHBondContact O-CA 3.43Å; I962-C965 VanDerWaalsContact O-CB 3.24Å; I962-C965 WeakPolarHBondContact O-CB 3.45Å; I962-C965 PolarHBondContact O-N 3.04Å; I962-C965 VanDerWaalsContact O-N 3.08Å; I962-L966 HydrophobicContact CG2-CD1 3.99Å; I962-L966 HydrophobicContact CG2-CG 4.48Å; I962-L966 WeakPolarHBondContact O-CG 3.36Å; I962-L966 PolarHBondContact O-N 3.49Å; I962-W997 HydrophobicContact CD1-CH2 3.86Å; I962-W997 HydrophobicContact CD1-CZ2 3.48Å; I962-W997 VanDerWaalsContact CD1-CZ2 3.48Å; I962-W997 HydrophobicContact CG1-CH2 4.42Å; I962-W997 HydrophobicContact CG1-CZ2 4.48Å |
| 963 | W | 91.5 | Very high | 89.7 | Confident | 45 Ų | 45 | 56.6 Ų | 56.6 | 17% | 0.17 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 178.3 | -162.8 | -114.3 | 0 | 0 | 0 | 111.2 | Q896 F899 V900 L951 F959 Q960 C965 L966 L967 | Q896-W963 HydrophobicContact CB-CH2 3.65Å; Q896-W963 HydrophobicContact CB-CZ2 4.45Å; Q896-W963 HydrophobicContact CB-CZ3 3.99Å; Q896-W963 HydrophobicContact CG-CH2 3.7Å; Q896-W963 HydrophobicContact CG-CZ2 4.01Å; Q896-W963 HydrophobicContact CG-CZ3 4.29Å; F899-W963 HydrophobicContact CB-CH2 4.35Å; F899-W963 AromaticContact CD1-CH2 3.83Å; F899-W963 HydrophobicContact CD1-CH2 3.83Å; F899-W963 HydrophobicContact CD1-CZ2 4.44Å; F899-W963 HydrophobicContact CD1-CZ3 4.29Å; F899-W963 HydrophobicContact CG-CH2 4.34Å; V900-W963 HydrophobicContact CG2-CZ3 4.2Å; L951-W963 HydrophobicContact CD2-CE3 3.83Å; L951-W963 HydrophobicContact CD2-CZ3 3.66Å; F959-W963 HydrophobicContact CE1-CB 4.34Å; F959-W963 HydrophobicContact CE1-CG 4.35Å; F959-W963 WeakPolarHBondContact O-CB 3.37Å; F959-W963 PolarHBondContact O-N 2.98Å; Q960-W963 PolarHBondContact O-N 2.95Å; W963-C965 VanDerWaalsContact C-N 3.28Å; W963-C965 PolarHBondContact O-N 3.49Å; W963-L966 HydrophobicContact CE3-CD1 3.93Å; W963-L966 HydrophobicContact CZ3-CD1 4.15Å; W963-L966 PolarHBondContact O-N 3.31Å; W963-L966 VanDerWaalsContact O-N 3.16Å; W963-L967 HydrophobicContact CG-CD1 4.4Å; W963-L967 WeakPolarHBondContact O-CG 3.45Å; W963-L967 PolarHBondContact O-N 2.99Å |
| 964 | N | 90.9 | Very high | 89.7 | Confident | 76 Ų | 76 | 53.6 Ų | 53.6 | 41% | 0.406 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.5 | -38.8 | 172.3 | -71.9 | -4.3 | 0 | 0 | 0 | 112.5 | Q960 I962 A968 | Q960-N964 PolarHBondContact NE2-OD1 2.86Å; Q960-N964 WeakPolarHBondContact O-CB 3.44Å; Q960-N964 PolarHBondContact O-N 3.49Å; Q960-N964 PolarHBondContact O-OD1 3.3Å; I962-N964 VanDerWaalsContact C-N 3.31Å; I962-N964 PolarHBondContact O-N 3.14Å; N964-A968 WeakPolarHBondContact O-CB 3.5Å; N964-A968 PolarHBondContact O-N 3.14Å |
| 965 | C | 89.5 | Confident | 89.6 | Confident | 13 Ų | 13 | 54.9 Ų | 54.9 | 9% | 0.088 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 175.1 | 173.2 | 0 | 0 | 0 | 0 | 111.9 | P961 I962 W963 L967 A968 E979 | P961-C965 PolarHBondContact O-N 3.43Å; I962-C965 WeakPolarHBondContact O-CA 3.43Å; I962-C965 VanDerWaalsContact O-CB 3.24Å; I962-C965 WeakPolarHBondContact O-CB 3.45Å; I962-C965 PolarHBondContact O-N 3.04Å; I962-C965 VanDerWaalsContact O-N 3.08Å; W963-C965 VanDerWaalsContact C-N 3.28Å; W963-C965 PolarHBondContact O-N 3.49Å; C965-L967 VanDerWaalsContact C-N 3.33Å; C965-L967 PolarHBondContact O-N 3.25Å; C965-A968 PolarHBondContact O-N 3.42Å; C965-E979 HydrophobicContact CB-CG 3.62Å; C965-E979 WeakPolarHBondContact SG-CG 3.31Å |
| 966 | L | 90 | Very high | 89.7 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.2 | -32.9 | -178.2 | -62.1 | 165.2 | 0 | 0 | 0 | 112.2 | F899 V900 T903 F943 V947 I962 W963 K969 I972 | F899-L966 HydrophobicContact CE1-CB 3.93Å; F899-L966 WeakPolarHBondContact CE1-O 3.39Å; V900-L966 HydrophobicContact CG2-CD1 3.94Å; T903-L966 HydrophobicContact CG2-CD2 4.23Å; F943-L966 HydrophobicContact CE1-CD2 4.45Å; V947-L966 HydrophobicContact CG1-CD1 3.61Å; I962-L966 HydrophobicContact CG2-CD1 3.99Å; I962-L966 HydrophobicContact CG2-CG 4.48Å; I962-L966 WeakPolarHBondContact O-CG 3.36Å; I962-L966 PolarHBondContact O-N 3.49Å; W963-L966 HydrophobicContact CE3-CD1 3.93Å; W963-L966 HydrophobicContact CZ3-CD1 4.15Å; W963-L966 PolarHBondContact O-N 3.31Å; W963-L966 VanDerWaalsContact O-N 3.16Å; L966-K969 VanDerWaalsContact O-O 3.14Å; L966-I972 HydrophobicContact CD2-CD1 4Å |
| 967 | L | 90.6 | Very high | 89.9 | Confident | 95 Ų | 95 | 50.3 Ų | 50.3 | 50% | 0.497 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -77.1 | -23.9 | 176 | -67.9 | 177.2 | 0 | 0 | 0 | 113.2 | F899 W963 C965 K969 | F899-L967 HydrophobicContact CE1-CD2 4.01Å; F899-L967 HydrophobicContact CE2-CD2 4.39Å; F899-L967 HydrophobicContact CZ-CD2 3.77Å; W963-L967 HydrophobicContact CG-CD1 4.4Å; W963-L967 WeakPolarHBondContact O-CG 3.45Å; W963-L967 PolarHBondContact O-N 2.99Å; C965-L967 VanDerWaalsContact C-N 3.33Å; C965-L967 PolarHBondContact O-N 3.25Å; L967-K969 VanDerWaalsContact C-N 3.31Å; L967-K969 PolarHBondContact O-N 3.04Å |
| 968 | A | 89.3 | Confident | 89.9 | Confident | 72 Ų | 72 | 48.9 Ų | 48.9 | 60% | 0.595 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -65.7 | -33.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | N964 C965 | N964-A968 WeakPolarHBondContact O-CB 3.5Å; N964-A968 PolarHBondContact O-N 3.14Å; C965-A968 PolarHBondContact O-N 3.42Å |
| 969 | K | 85.3 | Confident | 89.8 | Confident | 145 Ų | 145 | 51.9 Ų | 51.9 | 63% | 0.63 | 26% | 0.263 | S | S | * | . | trans | -145.4 | 145.5 | -179.4 | -64.8 | -176.9 | -177.1 | 176.1 | 0 | 110.8 | L966 L967 A971 | L966-K969 VanDerWaalsContact O-O 3.14Å; L967-K969 VanDerWaalsContact C-N 3.31Å; L967-K969 PolarHBondContact O-N 3.04Å; K969-A971 WeakPolarHBondContact CB-O 3.13Å; K969-A971 PolarHBondContact O-N 3.05Å; K969-A971 VanDerWaalsContact O-N 3.12Å | ||
| 970 | P | 85.5 | Confident | 89.9 | Confident | 88 Ų | 88 | 50.8 Ų | 50.8 | 57% | 0.571 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -66.5 | -14.4 | 178.3 | 28.3 | -36 | 0 | 0 | 0 | 113.7 | N906 | N906-P970 VanDerWaalsContact CB-O 3.25Å; N906-P970 WeakPolarHBondContact CB-O 3.45Å; N906-P970 PolarHBondContact ND2-O 2.87Å |
| 971 | A | 87 | Confident | 89.9 | Confident | 15 Ų | 15 | 49.7 Ų | 49.7 | 12% | 0.124 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -142.8 | 146.1 | 179 | 0 | 0 | 0 | 0 | 0 | 110 | N906 K969 | N906-A971 HydrophobicContact CB-CB 3.93Å; K969-A971 WeakPolarHBondContact CB-O 3.13Å; K969-A971 PolarHBondContact O-N 3.05Å; K969-A971 VanDerWaalsContact O-N 3.12Å |
| 972 | I | 88.6 | Confident | 90 | Very high | 20 Ų | 20 | 54 Ų | 54 | 10% | 0.103 | 27% | 0.27 | C | S | . | . | trans | -87.6 | 135.5 | 171.9 | -60.7 | -177.7 | 0 | 0 | 0 | 108.7 | T903 S907 F943 F944 L966 L974 P978 | T903-I972 HydrophobicContact CG2-CD1 4.44Å; T903-I972 HydrophobicContact CG2-CG1 4.01Å; S907-I972 PolarHBondContact OG-N 3.28Å; F943-I972 HydrophobicContact CD1-CD1 3.97Å; F943-I972 HydrophobicContact CE1-CD1 3.29Å; F943-I972 HydrophobicContact CZ-CD1 4.07Å; F944-I972 HydrophobicContact CE1-CD1 4.08Å; F944-I972 HydrophobicContact CE2-CD1 4.24Å; F944-I972 HydrophobicContact CZ-CD1 3.63Å; F944-I972 HydrophobicContact CZ-CG1 4.33Å; L966-I972 HydrophobicContact CD2-CD1 4Å; I972-L974 PolarHBondContact O-N 3.49Å; I972-L974 VanDerWaalsContact O-N 3.14Å; I972-P978 HydrophobicContact CG2-CB 4.11Å; I972-P978 HydrophobicContact CG2-CG 3.66Å | ||
| 973 | D | 86.8 | Confident | 90.1 | Very high | 61 Ų | 61 | 53.9 Ų | 53.9 | 33% | 0.326 | 27% | 0.27 | S | S | . | . | trans | -73.2 | 104.5 | 175.4 | -171.4 | -16.2 | 0 | 0 | 0 | 110.3 | R975 Y976 | D973-R975 PolarHBondContact O-N 2.94Å; D973-R975 VanDerWaalsContact OD1-CB 3.3Å; D973-R975 WeakPolarHBondContact OD1-CB 3.42Å; D973-R975 WeakPolarHBondContact OD1-CG 3.45Å; D973-R975 IonicContact OD1-CZ 3.85Å; D973-R975 PolarHBondContact OD1-N 3.03Å; D973-R975 IonicContact OD1-NE 2.7Å; D973-R975 PolarHBondContact OD1-NE 3.03Å; D973-R975 IonicContact OD1-NH2 2.74Å; D973-R975 IonicContact OD2-CZ 3.49Å; D973-R975 IonicContact OD2-NE 2.63Å; D973-R975 PolarHBondContact OD2-NE 3.37Å; D973-R975 IonicContact OD2-NH2 3.43Å; D973-R975 PolarHBondContact OD2-NH2 3.5Å; D973-Y976 HydrophobicContact CB-CD2 4.38Å; D973-Y976 PolarHBondContact O-N 3.38Å; D973-Y976 WeakPolarHBondContact OD2-CD2 3.46Å; D973-Y976 WeakPolarHBondContact OD2-CE2 3.19Å | ||
| 974 | L | 88.5 | Confident | 90.1 | Very high | 11 Ų | 11 | 51.8 Ų | 51.8 | 6% | 0.058 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | 5.5 | -176.5 | -58.9 | -179.1 | 0 | 0 | 0 | 114.2 | S907 L908 V915 L936 H940 I972 | S907-L974 VanDerWaalsContact O-CD1 3.31Å; S907-L974 WeakPolarHBondContact O-CD1 3.31Å; L908-L974 HydrophobicContact CD2-CD1 4.33Å; V915-L974 WeakPolarHBondContact CG1-O 3.2Å; V915-L974 HydrophobicContact CG2-CB 4.03Å; L936-L974 HydrophobicContact CD1-CD1 3.99Å; L936-L974 HydrophobicContact CD1-CD2 3.75Å; H940-L974 HydrophobicContact CB-CD2 4.04Å; H940-L974 VanDerWaalsContact CE1-C 3.46Å; H940-L974 PolarHBondContact CE1-O 2.99Å; H940-L974 WeakPolarHBondContact NE2-CA 3.36Å; I972-L974 PolarHBondContact O-N 3.49Å; I972-L974 VanDerWaalsContact O-N 3.14Å |
| 975 | R | 85.7 | Confident | 90.2 | Very high | 117 Ų | 117 | 53 Ų | 53 | 44% | 0.442 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -17.8 | 173.3 | -60 | 175.2 | -65.4 | 176.5 | 2.6 | 113.2 | V915 D973 N1017 | V915-R975 HydrophobicContact CB-CG 4.2Å; V915-R975 HydrophobicContact CG1-CB 4.36Å; V915-R975 HydrophobicContact CG1-CG 3.88Å; V915-R975 HydrophobicContact CG2-CG 3.87Å; D973-R975 PolarHBondContact O-N 2.94Å; D973-R975 VanDerWaalsContact OD1-CB 3.3Å; D973-R975 WeakPolarHBondContact OD1-CB 3.42Å; D973-R975 WeakPolarHBondContact OD1-CG 3.45Å; D973-R975 IonicContact OD1-CZ 3.85Å; D973-R975 PolarHBondContact OD1-N 3.03Å; D973-R975 IonicContact OD1-NE 2.7Å; D973-R975 PolarHBondContact OD1-NE 3.03Å; D973-R975 IonicContact OD1-NH2 2.74Å; D973-R975 IonicContact OD2-CZ 3.49Å; D973-R975 IonicContact OD2-NE 2.63Å; D973-R975 PolarHBondContact OD2-NE 3.37Å; D973-R975 IonicContact OD2-NH2 3.43Å; D973-R975 PolarHBondContact OD2-NH2 3.5Å; R975-N1017 WeakPolarHBondContact O-CB 3.32Å; R975-N1017 PolarHBondContact O-ND2 3.24Å |
| 976 | Y | 91 | Very high | 90.3 | Very high | 101 Ų | 101 | 53.3 Ų | 53.3 | 40% | 0.396 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -129.8 | 151.5 | -172.3 | -57.2 | -81.5 | 0 | 0 | 0 | 111.1 | H940 D973 P978 N1017 S1018 | H940-Y976 PolarHBondContact NE2-O 3.01Å; D973-Y976 HydrophobicContact CB-CD2 4.38Å; D973-Y976 PolarHBondContact O-N 3.38Å; D973-Y976 WeakPolarHBondContact OD2-CD2 3.46Å; D973-Y976 WeakPolarHBondContact OD2-CE2 3.19Å; Y976-P978 WeakPolarHBondContact O-CD 3.18Å; Y976-N1017 HydrophobicContact CD1-CB 3.93Å; Y976-N1017 HydrophobicContact CE1-CB 3.95Å; Y976-N1017 WeakPolarHBondContact CE1-O 3.1Å; Y976-S1018 VanDerWaalsContact CA-OG 3.25Å; Y976-S1018 WeakPolarHBondContact CA-OG 3.26Å; Y976-S1018 WeakPolarHBondContact CB-OG 3.39Å |
| 977 | V | 94 | Very high | 90.2 | Very high | 5 Ų | 5 | 60.1 Ų | 60.1 | 3% | 0.03 | 31% | 0.307 | C | S | . | . | trans | -63.3 | 120.3 | 169.2 | -178.9 | 0 | 0 | 0 | 0 | 107.7 | I939 E979 F980 I998 L1001 V1014 M1015 S1018 V1020 | I939-V977 HydrophobicContact CG2-CG1 4.48Å; I939-V977 HydrophobicContact CG2-CG2 4.32Å; V977-E979 PolarHBondContact O-N 3.42Å; V977-F980 HydrophobicContact CB-CB 3.87Å; V977-F980 HydrophobicContact CG1-CB 3.93Å; V977-F980 HydrophobicContact CG1-CD2 4.3Å; V977-F980 PolarHBondContact O-N 2.95Å; V977-I998 HydrophobicContact CG1-CD1 4.03Å; V977-L1001 HydrophobicContact CG1-CD2 4.47Å; V977-V1014 HydrophobicContact CG2-CG1 3.87Å; V977-M1015 HydrophobicContact CG2-CG 4.16Å; V977-S1018 PolarHBondContact N-OG 3.18Å; V977-V1020 HydrophobicContact CG2-CG2 4.01Å | ||
| 978 | P | 92.3 | Very high | 90.1 | Very high | 8 Ų | 8 | 58.8 Ų | 58.8 | 5% | 0.052 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 127 | -175.4 | -26.9 | 36.1 | 0 | 0 | 0 | 111.9 | F943 I972 Y976 F980 | F943-P978 HydrophobicContact CD1-CB 4.44Å; F943-P978 HydrophobicContact CD1-CG 4.09Å; F943-P978 HydrophobicContact CD2-CB 3.86Å; F943-P978 HydrophobicContact CD2-CG 3.97Å; F943-P978 HydrophobicContact CE1-CB 4.26Å; F943-P978 HydrophobicContact CE1-CG 4.34Å; F943-P978 HydrophobicContact CE2-CB 3.64Å; F943-P978 HydrophobicContact CE2-CG 4.21Å; F943-P978 HydrophobicContact CG-CB 4.26Å; F943-P978 HydrophobicContact CG-CG 3.91Å; F943-P978 HydrophobicContact CZ-CB 3.84Å; F943-P978 HydrophobicContact CZ-CG 4.39Å; I972-P978 HydrophobicContact CG2-CB 4.11Å; I972-P978 HydrophobicContact CG2-CG 3.66Å; Y976-P978 WeakPolarHBondContact O-CD 3.18Å; P978-F980 PolarHBondContact O-N 3.37Å |
| 979 | E | 90.4 | Very high | 90 | Very high | 65 Ų | 65 | 63 Ų | 63 | 30% | 0.304 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 21.3 | 176.4 | -58.5 | -62 | 126.6 | 0 | 0 | 116 | C965 V977 L981 R982 L983 | C965-E979 HydrophobicContact CB-CG 3.62Å; C965-E979 WeakPolarHBondContact SG-CG 3.31Å; V977-E979 PolarHBondContact O-N 3.42Å; E979-L981 PolarHBondContact O-N 3.31Å; E979-R982 PolarHBondContact O-N 2.87Å; E979-R982 WeakPolarHBondContact OE2-CD 3.34Å; E979-R982 IonicContact OE2-CZ 3.27Å; E979-R982 IonicContact OE2-NE 3.95Å; E979-R982 PolarHBondContact OE2-NE 3.49Å; E979-R982 IonicContact OE2-NH2 2.64Å; E979-R982 PolarHBondContact OE2-NH2 2.86Å; E979-L983 HydrophobicContact CB-CD1 4.05Å; E979-L983 HydrophobicContact CB-CG 4.1Å; E979-L983 PolarHBondContact O-N 2.76Å |
| 980 | F | 95.1 | Very high | 90.1 | Very high | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.018 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -53.9 | -55.7 | -173 | 176.7 | -99.8 | 0 | 0 | 0 | 113.2 | V977 P978 R982 L983 F984 I998 S1018 V1020 H1023 | V977-F980 HydrophobicContact CB-CB 3.87Å; V977-F980 HydrophobicContact CG1-CB 3.93Å; V977-F980 HydrophobicContact CG1-CD2 4.3Å; V977-F980 PolarHBondContact O-N 2.95Å; P978-F980 PolarHBondContact O-N 3.37Å; F980-R982 VanDerWaalsContact C-N 3.33Å; F980-R982 PolarHBondContact O-N 3.08Å; F980-L983 PolarHBondContact O-N 2.83Å; F980-F984 HydrophobicContact CE1-CB 4.49Å; F980-F984 HydrophobicContact CE2-CB 4.45Å; F980-F984 HydrophobicContact CE2-CD2 4.15Å; F980-F984 HydrophobicContact CE2-CG 4.46Å; F980-F984 HydrophobicContact CZ-CB 4.28Å; F980-F984 AromaticContact CZ-CD2 3.99Å; F980-F984 HydrophobicContact CZ-CD2 3.99Å; F980-F984 HydrophobicContact CZ-CG 4.06Å; F980-F984 WeakPolarHBondContact O-CB 3.19Å; F980-F984 PolarHBondContact O-N 3Å; F980-I998 HydrophobicContact CD2-CG1 3.69Å; F980-I998 HydrophobicContact CE2-CG1 4.38Å; F980-S1018 WeakPolarHBondContact CD1-O 3.47Å; F980-V1020 HydrophobicContact CD1-CG2 4.06Å; F980-V1020 HydrophobicContact CD2-CG2 3.8Å; F980-V1020 HydrophobicContact CE1-CB 4.34Å; F980-V1020 HydrophobicContact CE1-CG2 3.97Å; F980-V1020 HydrophobicContact CE2-CB 4.19Å; F980-V1020 HydrophobicContact CE2-CG1 3.88Å; F980-V1020 HydrophobicContact CE2-CG2 3.71Å; F980-V1020 HydrophobicContact CG-CG2 4Å; F980-V1020 HydrophobicContact CZ-CB 3.98Å; F980-V1020 HydrophobicContact CZ-CG1 3.92Å; F980-V1020 HydrophobicContact CZ-CG2 3.81Å; F980-H1023 HydrophobicContact CE1-CB 4.26Å; F980-H1023 HydrophobicContact CZ-CB 4.44Å |
| 981 | L | 93.1 | Very high | 90.1 | Very high | 88 Ų | 88 | 61.3 Ų | 61.3 | 46% | 0.461 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.7 | -40.3 | -178.1 | -66.2 | 176.5 | 0 | 0 | 0 | 111.9 | E979 F985 | E979-L981 PolarHBondContact O-N 3.31Å; L981-F985 HydrophobicContact CD2-CD2 4.21Å; L981-F985 HydrophobicContact CD2-CE2 3.89Å; L981-F985 WeakPolarHBondContact O-CB 3.39Å; L981-F985 WeakPolarHBondContact O-CD2 3.49Å; L981-F985 PolarHBondContact O-N 3.14Å |
| 982 | R | 92.5 | Very high | 90.2 | Very high | 99 Ų | 99 | 64.5 Ų | 64.5 | 37% | 0.374 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.4 | -45.7 | -178.7 | -172.1 | -178.6 | 63.8 | 89 | -2.5 | 111.8 | P961 E979 F980 F985 S986 | P961-R982 PolarHBondContact O-NH2 3.24Å; E979-R982 PolarHBondContact O-N 2.87Å; E979-R982 WeakPolarHBondContact OE2-CD 3.34Å; E979-R982 IonicContact OE2-CZ 3.27Å; E979-R982 IonicContact OE2-NE 3.95Å; E979-R982 PolarHBondContact OE2-NE 3.49Å; E979-R982 IonicContact OE2-NH2 2.64Å; E979-R982 PolarHBondContact OE2-NH2 2.86Å; F980-R982 VanDerWaalsContact C-N 3.33Å; F980-R982 PolarHBondContact O-N 3.08Å; R982-F985 CarbonylContact O-C 3.46Å; R982-S986 VanDerWaalsContact O-CA 3.28Å; R982-S986 WeakPolarHBondContact O-CA 3.25Å; R982-S986 PolarHBondContact O-N 2.83Å; R982-S986 VanDerWaalsContact O-N 3.1Å |
| 983 | L | 93.7 | Very high | 90.2 | Very high | 3 Ų | 3 | 66.9 Ų | 66.9 | 2% | 0.016 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -75.7 | -35.7 | -179.1 | -65.4 | 176.4 | 0 | 0 | 0 | 112 | M958 P961 E979 F980 S986 E994 W997 I998 | M958-L983 HydrophobicContact CE-CD1 4.22Å; M958-L983 HydrophobicContact CE-CD2 4.21Å; P961-L983 HydrophobicContact CB-CD2 3.96Å; E979-L983 HydrophobicContact CB-CD1 4.05Å; E979-L983 HydrophobicContact CB-CG 4.1Å; E979-L983 PolarHBondContact O-N 2.76Å; F980-L983 PolarHBondContact O-N 2.83Å; L983-S986 WeakPolarHBondContact O-CB 3.47Å; L983-S986 PolarHBondContact O-N 3.37Å; L983-E994 HydrophobicContact CB-CB 4.44Å; L983-E994 HydrophobicContact CD2-CB 4.11Å; L983-E994 HydrophobicContact CD2-CG 4.17Å; L983-W997 HydrophobicContact CD1-CE3 4.08Å; L983-W997 HydrophobicContact CD1-CZ3 4.08Å; L983-I998 HydrophobicContact CB-CB 4.08Å; L983-I998 HydrophobicContact CB-CG1 4.48Å; L983-I998 HydrophobicContact CB-CG2 4.12Å; L983-I998 HydrophobicContact CD1-CB 4.37Å; L983-I998 HydrophobicContact CD1-CD1 4.19Å |
| 984 | F | 93.5 | Very high | 90.5 | Very high | 2 Ų | 2 | 64.1 Ų | 64.1 | 1% | 0.009 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -69.9 | -39.1 | -179.9 | -168.5 | -95 | 0 | 0 | 0 | 112.6 | F980 R995 I998 H1023 I1024 A1027 F1037 | F980-F984 HydrophobicContact CE1-CB 4.49Å; F980-F984 HydrophobicContact CE2-CB 4.45Å; F980-F984 HydrophobicContact CE2-CD2 4.15Å; F980-F984 HydrophobicContact CE2-CG 4.46Å; F980-F984 HydrophobicContact CZ-CB 4.28Å; F980-F984 AromaticContact CZ-CD2 3.99Å; F980-F984 HydrophobicContact CZ-CD2 3.99Å; F980-F984 HydrophobicContact CZ-CG 4.06Å; F980-F984 WeakPolarHBondContact O-CB 3.19Å; F980-F984 PolarHBondContact O-N 3Å; F984-R995 HydrophobicContact CD2-CG 3.98Å; F984-R995 HydrophobicContact CE2-CG 4.09Å; F984-R995 PolarHBondContact O-NE 3.24Å; F984-R995 PolarHBondContact O-NH2 3.13Å; F984-R995 VanDerWaalsContact O-NH2 3.17Å; F984-I998 HydrophobicContact CB-CG2 4.31Å; F984-I998 HydrophobicContact CD2-CG2 4.35Å; F984-H1023 HydrophobicContact CD1-CB 4.35Å; F984-H1023 HydrophobicContact CE1-CB 3.95Å; F984-H1023 HydrophobicContact CZ-CB 4.44Å; F984-I1024 HydrophobicContact CE2-CG2 4.01Å; F984-I1024 HydrophobicContact CZ-CG2 4.3Å; F984-A1027 HydrophobicContact CE1-CB 4.23Å; F984-A1027 HydrophobicContact CZ-CB 3.73Å; F984-F1037 AromaticContact CE2-CE2 3.95Å; F984-F1037 HydrophobicContact CE2-CE2 3.95Å; F984-F1037 HydrophobicContact CE2-CZ 4.19Å; F984-F1037 HydrophobicContact CZ-CE2 4.37Å; F984-F1037 HydrophobicContact CZ-CZ 4.16Å |
| 985 | F | 92.6 | Very high | 90.6 | Very high | 102 Ų | 102 | 66.6 Ų | 66.6 | 45% | 0.447 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 32.3 | 175.4 | -60.1 | -69.5 | 0 | 0 | 0 | 112.4 | L981 R982 T987 H1023 | L981-F985 HydrophobicContact CD2-CD2 4.21Å; L981-F985 HydrophobicContact CD2-CE2 3.89Å; L981-F985 WeakPolarHBondContact O-CB 3.39Å; L981-F985 WeakPolarHBondContact O-CD2 3.49Å; L981-F985 PolarHBondContact O-N 3.14Å; R982-F985 CarbonylContact O-C 3.46Å; F985-T987 PolarHBondContact O-N 3.47Å; F985-H1023 AromaticContact CE2-CE1 3.99Å; F985-H1023 AromaticContact CE2-ND1 3.81Å; F985-H1023 HydrophobicContact CZ-CB 4.3Å; F985-H1023 AromaticContact CZ-CG 3.93Å; F985-H1023 AromaticContact CZ-ND1 3.49Å; F985-H1023 WeakPolarHBondContact CZ-ND1 3.31Å |
| 986 | S | 90.7 | Very high | 90.8 | Very high | 18 Ų | 18 | 65.8 Ų | 65.8 | 13% | 0.126 | 32% | 0.323 | C | S | . | . | trans | -58.3 | 135 | 179.4 | -178.1 | 0 | 0 | 0 | 0 | 111.5 | R982 L983 N988 F991 E994 | R982-S986 VanDerWaalsContact O-CA 3.28Å; R982-S986 WeakPolarHBondContact O-CA 3.25Å; R982-S986 PolarHBondContact O-N 2.83Å; R982-S986 VanDerWaalsContact O-N 3.1Å; L983-S986 WeakPolarHBondContact O-CB 3.47Å; L983-S986 PolarHBondContact O-N 3.37Å; S986-N988 WeakPolarHBondContact OG-CB 3.46Å; S986-N988 PolarHBondContact OG-N 3.15Å; S986-F991 VanDerWaalsContact O-CB 3.23Å; S986-F991 WeakPolarHBondContact O-CB 3.32Å; S986-E994 WeakPolarHBondContact CB-OE2 3.38Å; S986-E994 PolarHBondContact OG-OE2 3.05Å | ||
| 987 | T | 87.5 | Confident | 90.9 | Very high | 143 Ų | 143 | 62.5 Ų | 62.5 | 88% | 0.877 | 31% | 0.309 | S | S | * | . | trans | -95 | 4.3 | 173.4 | 54.6 | 0 | 0 | 0 | 0 | 112.3 | F985 | F985-T987 PolarHBondContact O-N 3.47Š| ||
| 988 | N | 89.7 | Confident | 91 | Very high | 67 Ų | 67 | 62.2 Ų | 62.2 | 36% | 0.358 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -66.2 | 149 | 178.7 | -165.5 | -63.2 | 0 | 0 | 0 | 110.8 | S986 K990 F991 E994 | S986-N988 WeakPolarHBondContact OG-CB 3.46Å; S986-N988 PolarHBondContact OG-N 3.15Å; N988-K990 PolarHBondContact O-N 3.33Å; N988-K990 PolarHBondContact OD1-N 3.37Å; N988-F991 WeakPolarHBondContact O-CB 3.24Å; N988-F991 PolarHBondContact O-N 3.05Å; N988-E994 WeakPolarHBondContact CB-OE1 3.48Å |
| 989 | N | 85.9 | Confident | 91 | Very high | 162 Ų | 162 | 62.2 Ų | 62.2 | 87% | 0.866 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -23.3 | 172.4 | -62.4 | -5 | 0 | 0 | 0 | 113 | ||
| 990 | K | 87.2 | Confident | 91.1 | Very high | 110 Ų | 110 | 65.9 Ų | 65.9 | 48% | 0.478 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 31 | 175.6 | -65.2 | 179.9 | 178.1 | 177.8 | 0 | 113.6 | H957 N988 T992 I993 | H957-K990 HydrophobicContact CB-CD 4.36Å; H957-K990 WeakPolarHBondContact ND1-CD 3.42Å; N988-K990 PolarHBondContact O-N 3.33Å; N988-K990 PolarHBondContact OD1-N 3.37Å; K990-T992 PolarHBondContact O-N 3.31Å; K990-I993 HydrophobicContact CB-CD1 4.23Å; K990-I993 HydrophobicContact CD-CD1 4.22Å; K990-I993 HydrophobicContact CG-CD1 4.47Å; K990-I993 PolarHBondContact O-N 3.24Å |
| 991 | F | 87 | Confident | 91.1 | Very high | 86 Ų | 86 | 65.7 Ų | 65.7 | 38% | 0.377 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -53.2 | -29.8 | -178.3 | 72.2 | -90 | 0 | 0 | 0 | 114.2 | S986 N988 I993 E994 R995 | S986-F991 VanDerWaalsContact O-CB 3.23Å; S986-F991 WeakPolarHBondContact O-CB 3.32Å; N988-F991 WeakPolarHBondContact O-CB 3.24Å; N988-F991 PolarHBondContact O-N 3.05Å; F991-I993 VanDerWaalsContact C-N 3.31Å; F991-I993 PolarHBondContact O-N 2.86Å; F991-E994 PolarHBondContact O-N 3.31Å; F991-R995 WeakPolarHBondContact O-CB 3.49Å; F991-R995 PolarHBondContact O-N 2.58Å |
| 992 | T | 87.9 | Confident | 91.3 | Very high | 83 Ų | 83 | 61.6 Ų | 61.6 | 51% | 0.509 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.3 | -39.6 | 178.4 | 49.9 | 0 | 0 | 0 | 0 | 112 | K990 Q996 | K990-T992 PolarHBondContact O-N 3.31Å; T992-Q996 VanDerWaalsContact O-CB 3.25Å; T992-Q996 WeakPolarHBondContact O-CB 3.4Å; T992-Q996 PolarHBondContact O-N 3.23Å |
| 993 | I | 89.4 | Confident | 91.3 | Very high | 70 Ų | 70 | 57.4 Ų | 57.4 | 36% | 0.359 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.9 | -46 | 177.6 | -59.2 | 179.4 | 0 | 0 | 0 | 110 | M958 K990 F991 Q996 W997 | M958-I993 HydrophobicContact CG-CG2 4.39Å; M958-I993 HydrophobicContact SD-CG2 4.29Å; K990-I993 HydrophobicContact CB-CD1 4.23Å; K990-I993 HydrophobicContact CD-CD1 4.22Å; K990-I993 HydrophobicContact CG-CD1 4.47Å; K990-I993 PolarHBondContact O-N 3.24Å; F991-I993 VanDerWaalsContact C-N 3.31Å; F991-I993 PolarHBondContact O-N 2.86Å; I993-Q996 PolarHBondContact O-N 2.82Å; I993-W997 VanDerWaalsContact O-CB 3.29Å; I993-W997 WeakPolarHBondContact O-CB 3.45Å; I993-W997 PolarHBondContact O-N 3.08Å |
| 994 | E | 91.9 | Very high | 91.2 | Very high | 3 Ų | 3 | 59.9 Ų | 59.9 | 1% | 0.014 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63 | -44 | 179.3 | -67.8 | -179.2 | -153.7 | 0 | 0 | 111.8 | H957 M958 L983 S986 N988 F991 W997 I998 | H957-E994 IonicContact CD2-OE1 3.56Å; H957-E994 IonicContact CE1-OE1 3.45Å; H957-E994 IonicContact NE2-OE1 3.54Å; H957-E994 PolarHBondContact NE2-OE1 3.21Å; M958-E994 HydrophobicContact CE-CG 4.42Å; M958-E994 HydrophobicContact SD-CB 4.32Å; M958-E994 HydrophobicContact SD-CG 3.77Å; L983-E994 HydrophobicContact CB-CB 4.44Å; L983-E994 HydrophobicContact CD2-CB 4.11Å; L983-E994 HydrophobicContact CD2-CG 4.17Å; S986-E994 WeakPolarHBondContact CB-OE2 3.38Å; S986-E994 PolarHBondContact OG-OE2 3.05Å; N988-E994 WeakPolarHBondContact CB-OE1 3.48Å; F991-E994 PolarHBondContact O-N 3.31Å; E994-W997 PolarHBondContact O-N 3.21Å; E994-I998 WeakPolarHBondContact O-CG2 3.41Å; E994-I998 PolarHBondContact O-N 2.89Å |
| 995 | R | 91.2 | Very high | 91.2 | Very high | 63 Ų | 63 | 59.8 Ų | 59.8 | 24% | 0.238 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.2 | -47.3 | 175.4 | -175.5 | 178.9 | -67.6 | 168 | 2.1 | 111.5 | F984 F991 W997 I998 C999 | F984-R995 HydrophobicContact CD2-CG 3.98Å; F984-R995 HydrophobicContact CE2-CG 4.09Å; F984-R995 PolarHBondContact O-NE 3.24Å; F984-R995 PolarHBondContact O-NH2 3.13Å; F984-R995 VanDerWaalsContact O-NH2 3.17Å; F991-R995 WeakPolarHBondContact O-CB 3.49Å; F991-R995 PolarHBondContact O-N 2.58Å; R995-W997 VanDerWaalsContact C-N 3.3Å; R995-W997 PolarHBondContact O-N 3.09Å; R995-I998 WeakPolarHBondContact O-CG2 3.48Å; R995-I998 PolarHBondContact O-N 2.98Å; R995-C999 WeakPolarHBondContact O-CB 3.15Å; R995-C999 PolarHBondContact O-N 3.1Å; R995-C999 PolarHBondContact O-SG 3.22Å |
| 996 | Q | 90.6 | Very high | 91.1 | Very high | 100 Ų | 100 | 55.3 Ų | 55.3 | 47% | 0.467 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.6 | -40.1 | 179 | -171.6 | 179.2 | 13 | 0 | 0 | 111.3 | T992 I993 R1000 | T992-Q996 VanDerWaalsContact O-CB 3.25Å; T992-Q996 WeakPolarHBondContact O-CB 3.4Å; T992-Q996 PolarHBondContact O-N 3.23Å; I993-Q996 PolarHBondContact O-N 2.82Å; Q996-R1000 VanDerWaalsContact O-CB 3.24Å; Q996-R1000 WeakPolarHBondContact O-CB 3.47Å; Q996-R1000 PolarHBondContact O-N 3.22Å |
| 997 | W | 93.3 | Very high | 90.7 | Very high | 31 Ų | 31 | 55.5 Ų | 55.5 | 12% | 0.117 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.8 | -49.5 | 178.4 | -172.7 | 97 | 0 | 0 | 0 | 111.9 | F943 R946 I950 M958 I962 L983 I993 E994 R995 R1000 L1001 | F943-W997 AromaticContact CD2-CH2 3.88Å; F943-W997 HydrophobicContact CD2-CH2 3.88Å; F943-W997 HydrophobicContact CD2-CZ3 4.44Å; F943-W997 AromaticContact CE2-CH2 3.98Å; F943-W997 HydrophobicContact CE2-CH2 3.98Å; F943-W997 HydrophobicContact CE2-CZ3 4.48Å; R946-W997 HydrophobicContact CB-CZ2 3.76Å; R946-W997 HydrophobicContact CG-CZ2 4.47Å; I950-W997 HydrophobicContact CD1-CZ2 4.08Å; M958-W997 HydrophobicContact CE-CB 3.91Å; M958-W997 HydrophobicContact CE-CD2 3.63Å; M958-W997 HydrophobicContact CE-CE3 3.83Å; M958-W997 HydrophobicContact CE-CG 3.66Å; M958-W997 HydrophobicContact CG-CB 4.34Å; M958-W997 HydrophobicContact CG-CG 4.02Å; M958-W997 HydrophobicContact SD-CB 3.98Å; M958-W997 HydrophobicContact SD-CG 4.1Å; I962-W997 HydrophobicContact CD1-CH2 3.86Å; I962-W997 HydrophobicContact CD1-CZ2 3.48Å; I962-W997 VanDerWaalsContact CD1-CZ2 3.48Å; I962-W997 HydrophobicContact CG1-CH2 4.42Å; I962-W997 HydrophobicContact CG1-CZ2 4.48Å; L983-W997 HydrophobicContact CD1-CE3 4.08Å; L983-W997 HydrophobicContact CD1-CZ3 4.08Å; I993-W997 VanDerWaalsContact O-CB 3.29Å; I993-W997 WeakPolarHBondContact O-CB 3.45Å; I993-W997 PolarHBondContact O-N 3.08Å; E994-W997 PolarHBondContact O-N 3.21Å; R995-W997 VanDerWaalsContact C-N 3.3Å; R995-W997 PolarHBondContact O-N 3.09Å; W997-R1000 PolarHBondContact O-N 2.77Å; W997-L1001 HydrophobicContact CH2-CD2 4.4Å; W997-L1001 HydrophobicContact CZ3-CD2 4.17Å; W997-L1001 PolarHBondContact O-N 3.25Å |
| 998 | I | 95.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -70 | -36.8 | -178.5 | -165.8 | 66.4 | 0 | 0 | 0 | 111.9 | V977 F980 L983 F984 E994 R995 L1001 C1002 | V977-I998 HydrophobicContact CG1-CD1 4.03Å; F980-I998 HydrophobicContact CD2-CG1 3.69Å; F980-I998 HydrophobicContact CE2-CG1 4.38Å; L983-I998 HydrophobicContact CB-CB 4.08Å; L983-I998 HydrophobicContact CB-CG1 4.48Å; L983-I998 HydrophobicContact CB-CG2 4.12Å; L983-I998 HydrophobicContact CD1-CB 4.37Å; L983-I998 HydrophobicContact CD1-CD1 4.19Å; F984-I998 HydrophobicContact CB-CG2 4.31Å; F984-I998 HydrophobicContact CD2-CG2 4.35Å; E994-I998 WeakPolarHBondContact O-CG2 3.41Å; E994-I998 PolarHBondContact O-N 2.89Å; R995-I998 WeakPolarHBondContact O-CG2 3.48Å; R995-I998 PolarHBondContact O-N 2.98Å; I998-L1001 HydrophobicContact CD1-CD2 3.93Å; I998-L1001 WeakPolarHBondContact O-CB 3.28Å; I998-L1001 PolarHBondContact O-N 3.35Å; I998-C1002 PolarHBondContact O-N 2.98Å; I998-C1002 VanDerWaalsContact O-N 3.13Å; I998-C1002 PolarHBondContact O-SG 3.35Å |
| 999 | C | 92.6 | Very high | 90.2 | Very high | 7 Ų | 7 | 45.9 Ų | 45.9 | 5% | 0.047 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.8 | -42.9 | 174.5 | -69.6 | 0 | 0 | 0 | 0 | 111.6 | R995 L1001 C1002 V1003 F1037 | R995-C999 WeakPolarHBondContact O-CB 3.15Å; R995-C999 PolarHBondContact O-N 3.1Å; R995-C999 PolarHBondContact O-SG 3.22Å; C999-L1001 VanDerWaalsContact C-N 3.34Å; C999-L1001 PolarHBondContact O-N 2.91Å; C999-C1002 WeakPolarHBondContact O-CB 3.19Å; C999-C1002 PolarHBondContact O-N 3.5Å; C999-C1002 VanDerWaalsContact O-N 3.11Å; C999-V1003 WeakPolarHBondContact O-CG2 3.37Å; C999-V1003 PolarHBondContact O-N 3.43Å; C999-F1037 VanDerWaalsContact SG-CE2 3.56Å |
| 1000 | R | 93.3 | Very high | 90.2 | Very high | 142 Ų | 142 | 38.2 Ų | 38.2 | 54% | 0.536 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.6 | -37.3 | 176.6 | -174.1 | 166.8 | -175.7 | 156.2 | -0.7 | 112.3 | Q996 W997 C1002 V1003 D1004 | Q996-R1000 VanDerWaalsContact O-CB 3.24Å; Q996-R1000 WeakPolarHBondContact O-CB 3.47Å; Q996-R1000 PolarHBondContact O-N 3.22Å; W997-R1000 PolarHBondContact O-N 2.77Å; R1000-C1002 VanDerWaalsContact C-N 3.29Å; R1000-C1002 PolarHBondContact O-N 3.42Å; R1000-V1003 PolarHBondContact O-N 2.66Å; R1000-D1004 WeakPolarHBondContact CG-OD2 3.38Å; R1000-D1004 IonicContact NE-OD2 2.76Å; R1000-D1004 PolarHBondContact NE-OD2 2.8Å; R1000-D1004 WeakPolarHBondContact O-CB 3.32Å; R1000-D1004 VanDerWaalsContact O-CG 3.29Å; R1000-D1004 PolarHBondContact O-N 3.27Å |
| 1001 | L | 95.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56 | -45.8 | 170.3 | 175.5 | 66.2 | 0 | 0 | 0 | 110.7 | N942 F943 V977 W997 I998 C999 S1005 | N942-L1001 HydrophobicContact CB-CD1 3.88Å; F943-L1001 HydrophobicContact CB-CD1 4.28Å; F943-L1001 HydrophobicContact CB-CD2 4.15Å; F943-L1001 HydrophobicContact CD2-CD2 4Å; V977-L1001 HydrophobicContact CG1-CD2 4.47Å; W997-L1001 HydrophobicContact CH2-CD2 4.4Å; W997-L1001 HydrophobicContact CZ3-CD2 4.17Å; W997-L1001 PolarHBondContact O-N 3.25Å; I998-L1001 HydrophobicContact CD1-CD2 3.93Å; I998-L1001 WeakPolarHBondContact O-CB 3.28Å; I998-L1001 PolarHBondContact O-N 3.35Å; C999-L1001 VanDerWaalsContact C-N 3.34Å; C999-L1001 PolarHBondContact O-N 2.91Å; L1001-S1005 WeakPolarHBondContact O-CB 3.37Å; L1001-S1005 PolarHBondContact O-N 3.31Å; L1001-S1005 PolarHBondContact O-OG 3.46Å |
| 1002 | C | 95.8 | Very high | 90.6 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.014 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63 | -51.2 | 176.6 | -62.7 | 0 | 0 | 0 | 0 | 111.7 | I998 C999 R1000 D1004 S1005 L1006 M1015 L1044 | I998-C1002 PolarHBondContact O-N 2.98Å; I998-C1002 VanDerWaalsContact O-N 3.13Å; I998-C1002 PolarHBondContact O-SG 3.35Å; C999-C1002 WeakPolarHBondContact O-CB 3.19Å; C999-C1002 PolarHBondContact O-N 3.5Å; C999-C1002 VanDerWaalsContact O-N 3.11Å; R1000-C1002 VanDerWaalsContact C-N 3.29Å; R1000-C1002 PolarHBondContact O-N 3.42Å; C1002-D1004 PolarHBondContact O-N 3.23Å; C1002-S1005 PolarHBondContact O-N 3.06Å; C1002-L1006 PolarHBondContact O-N 3.13Å; C1002-M1015 HydrophobicContact CB-CE 3.74Å; C1002-M1015 HydrophobicContact CB-SD 4.17Å; C1002-M1015 WeakPolarHBondContact O-CE 3.31Å; C1002-L1044 HydrophobicContact CB-CD1 4.43Å; C1002-L1044 HydrophobicContact CB-CD2 4.07Å |
| 1003 | V | 93.9 | Very high | 90.7 | Very high | 12 Ų | 12 | 25.7 Ų | 25.7 | 7% | 0.073 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -55.3 | -50.9 | -177.8 | -175.2 | 0 | 0 | 0 | 0 | 111.9 | C999 R1000 S1005 S1040 R1043 L1044 N1047 | C999-V1003 WeakPolarHBondContact O-CG2 3.37Å; C999-V1003 PolarHBondContact O-N 3.43Å; R1000-V1003 PolarHBondContact O-N 2.66Å; V1003-S1005 PolarHBondContact O-N 3.09Å; V1003-S1040 WeakPolarHBondContact CG2-O 3.23Å; V1003-R1043 HydrophobicContact CG1-CB 3.8Å; V1003-L1044 HydrophobicContact CG2-CB 4.09Å; V1003-N1047 PolarHBondContact O-ND2 2.92Å |
| 1004 | D | 90 | Very high | 90.7 | Very high | 54 Ų | 54 | 22.5 Ų | 22.5 | 29% | 0.289 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -74.7 | -12.7 | -172 | -62.2 | -11.5 | 0 | 0 | 0 | 112.3 | K938 N942 R946 R1000 C1002 | K938-D1004 PolarHBondContact NZ-O 3.46Å; N942-D1004 PolarHBondContact ND2-O 2.92Å; R946-D1004 IonicContact CZ-OD2 3.3Å; R946-D1004 IonicContact NH2-OD2 3.14Å; R946-D1004 PolarHBondContact NH2-OD2 3.19Å; R1000-D1004 WeakPolarHBondContact CG-OD2 3.38Å; R1000-D1004 IonicContact NE-OD2 2.76Å; R1000-D1004 PolarHBondContact NE-OD2 2.8Å; R1000-D1004 WeakPolarHBondContact O-CB 3.32Å; R1000-D1004 VanDerWaalsContact O-CG 3.29Å; R1000-D1004 PolarHBondContact O-N 3.27Å; C1002-D1004 PolarHBondContact O-N 3.23Å |
| 1005 | S | 93.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -109.9 | -16.6 | -172.3 | -52.1 | 0 | 0 | 0 | 0 | 115.4 | K938 N942 L1001 C1002 V1003 G1007 D1011 | K938-S1005 WeakPolarHBondContact CD-O 3.28Å; N942-S1005 VanDerWaalsContact CB-OG 3.25Å; N942-S1005 WeakPolarHBondContact CB-OG 3.33Å; N942-S1005 PolarHBondContact ND2-OG 3.19Å; L1001-S1005 WeakPolarHBondContact O-CB 3.37Å; L1001-S1005 PolarHBondContact O-N 3.31Å; L1001-S1005 PolarHBondContact O-OG 3.46Å; C1002-S1005 PolarHBondContact O-N 3.06Å; V1003-S1005 PolarHBondContact O-N 3.09Å; S1005-G1007 PolarHBondContact O-N 2.97Å; S1005-D1011 VanDerWaalsContact O-OD2 3.06Å |
| 1006 | L | 91.1 | Very high | 90.9 | Very high | 8 Ų | 8 | 20.3 Ų | 20.3 | 4% | 0.042 | 10% | 0.099 | C | C | . | . | trans | -72.6 | 96 | 178.7 | -174.8 | 59.4 | 0 | 0 | 0 | 110.3 | C1002 D1011 M1015 F1021 L1044 N1047 A1048 I1054 | C1002-L1006 PolarHBondContact O-N 3.13Å; L1006-D1011 HydrophobicContact CD1-CB 3.78Å; L1006-M1015 HydrophobicContact CB-CE 3.77Å; L1006-M1015 HydrophobicContact CD1-CE 4.3Å; L1006-M1015 HydrophobicContact CD1-SD 4.38Å; L1006-M1015 HydrophobicContact CG-CE 4.49Å; L1006-F1021 HydrophobicContact CD2-CZ 4.06Å; L1006-L1044 HydrophobicContact CB-CD1 3.88Å; L1006-L1044 HydrophobicContact CD2-CD1 3.56Å; L1006-L1044 HydrophobicContact CD2-CG 4.49Å; L1006-L1044 HydrophobicContact CG-CD1 4.38Å; L1006-N1047 HydrophobicContact CB-CB 4.33Å; L1006-N1047 HydrophobicContact CD2-CB 4.37Å; L1006-N1047 HydrophobicContact CG-CB 4.45Å; L1006-A1048 HydrophobicContact CD2-CB 3.59Å; L1006-I1054 HydrophobicContact CD1-CD1 4.37Å | ||
| 1007 | G | 82.9 | Confident | 91 | Very high | 22 Ų | 22 | 18.9 Ų | 18.9 | 23% | 0.227 | 9% | 0.094 | C | C | . | . | trans | -122.9 | -16.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | S1005 D1011 H1051 | S1005-G1007 PolarHBondContact O-N 2.97Å; G1007-D1011 PolarHBondContact N-OD2 2.77Å; G1007-D1011 VanDerWaalsContact N-OD2 3.1Å; G1007-H1051 PolarHBondContact O-CE1 3.22Å; G1007-H1051 PolarHBondContact O-NE2 3.37Å; G1007-H1051 VanDerWaalsContact O-NE2 3.12Å | ||
| 1008 | D | 82.6 | Confident | 91 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -142.2 | 171.5 | 177.6 | 75.6 | 24.5 | 0 | 0 | 0 | 112.3 | Y768 Y844 R935 A1010 D1011 Y1012 | Y768-D1008 VanDerWaalsContact OH-CB 3.26Å; Y768-D1008 WeakPolarHBondContact OH-CB 3.33Å; Y844-D1008 PolarHBondContact OH-OD2 3.4Å; R935-D1008 IonicContact CZ-OD2 3.54Å; R935-D1008 IonicContact NH1-OD2 3.85Å; R935-D1008 PolarHBondContact NH1-OD2 2.96Å; R935-D1008 IonicContact NH2-OD2 3.91Å; D1008-A1010 PolarHBondContact O-N 2.77Å; D1008-A1010 VanDerWaalsContact OD1-CA 3.29Å; D1008-A1010 WeakPolarHBondContact OD1-CA 3.44Å; D1008-A1010 VanDerWaalsContact OD1-CB 3.23Å; D1008-A1010 WeakPolarHBondContact OD1-CB 3.44Å; D1008-A1010 PolarHBondContact OD1-N 3.5Å; D1008-D1011 PolarHBondContact N-OD2 3.49Å; D1008-D1011 VanDerWaalsContact N-OD2 3.16Å; D1008-D1011 PolarHBondContact O-N 3.16Å; D1008-D1011 PolarHBondContact OD1-N 3.44Å; D1008-Y1012 PolarHBondContact O-N 3.23Å |
| 1009 | P | 84.8 | Confident | 91 | Very high | 9 Ų | 9 | 21.4 Ų | 21.4 | 6% | 0.058 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -69 | -14.2 | 177.7 | -16.9 | 30.1 | 0 | 0 | 0 | 115.2 | F926 L1013 I1054 | F926-P1009 HydrophobicContact CB-CB 4.28Å; F926-P1009 HydrophobicContact CD1-CB 3.79Å; P1009-L1013 PolarHBondContact O-N 2.8Å; P1009-I1054 HydrophobicContact CB-CG1 4.37Å |
| 1010 | A | 84.6 | Confident | 91.2 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.008 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -80.3 | -35 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | F916 T937 D1008 Y1012 L1013 V1014 | F916-A1010 HydrophobicContact CE1-CB 3.59Å; F916-A1010 HydrophobicContact CZ-CB 3.65Å; T937-A1010 HydrophobicContact CG2-CB 4.5Å; D1008-A1010 PolarHBondContact O-N 2.77Å; D1008-A1010 VanDerWaalsContact OD1-CA 3.29Å; D1008-A1010 WeakPolarHBondContact OD1-CA 3.44Å; D1008-A1010 VanDerWaalsContact OD1-CB 3.23Å; D1008-A1010 WeakPolarHBondContact OD1-CB 3.44Å; D1008-A1010 PolarHBondContact OD1-N 3.5Å; A1010-Y1012 VanDerWaalsContact C-N 3.27Å; A1010-Y1012 PolarHBondContact O-N 3.37Å; A1010-L1013 WeakPolarHBondContact O-CB 3.15Å; A1010-L1013 PolarHBondContact O-N 2.86Å; A1010-V1014 PolarHBondContact O-N 3.35Å |
| 1011 | D | 90.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -58.2 | -44.2 | 168.6 | -64.6 | -45 | 0 | 0 | 0 | 110 | T937 K938 I939 S1005 L1006 G1007 D1008 L1013 V1014 M1015 | T937-D1011 WeakPolarHBondContact CB-OD1 3.21Å; K938-D1011 WeakPolarHBondContact CB-OD1 3.48Å; K938-D1011 WeakPolarHBondContact CB-OD2 3.42Å; K938-D1011 PolarHBondContact N-OD1 2.85Å; I939-D1011 HydrophobicContact CD1-CB 3.74Å; I939-D1011 WeakPolarHBondContact CD1-O 2.98Å; I939-D1011 HydrophobicContact CG1-CB 4Å; I939-D1011 PolarHBondContact N-OD1 2.98Å; S1005-D1011 VanDerWaalsContact O-OD2 3.06Å; L1006-D1011 HydrophobicContact CD1-CB 3.78Å; G1007-D1011 PolarHBondContact N-OD2 2.77Å; G1007-D1011 VanDerWaalsContact N-OD2 3.1Å; D1008-D1011 PolarHBondContact N-OD2 3.49Å; D1008-D1011 VanDerWaalsContact N-OD2 3.16Å; D1008-D1011 PolarHBondContact O-N 3.16Å; D1008-D1011 PolarHBondContact OD1-N 3.44Å; D1011-L1013 VanDerWaalsContact C-N 3.32Å; D1011-L1013 PolarHBondContact O-N 3.24Å; D1011-V1014 PolarHBondContact O-N 3.3Å; D1011-M1015 WeakPolarHBondContact O-CG 3.32Å; D1011-M1015 PolarHBondContact O-N 3.33Å; D1011-M1015 VanDerWaalsContact O-N 3.07Å |
| 1012 | Y | 92.5 | Very high | 91.3 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 0% | 0.004 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -56.5 | -43.6 | 173.7 | 175.6 | -93.7 | 0 | 0 | 0 | 112.4 | F926 D1008 A1010 V1014 M1015 E1016 F1021 I1054 A1057 L1058 | F926-Y1012 HydrophobicContact CE1-CD1 4.03Å; F926-Y1012 HydrophobicContact CE1-CE1 4.28Å; F926-Y1012 HydrophobicContact CZ-CD1 4.17Å; F926-Y1012 HydrophobicContact CZ-CE1 4.02Å; D1008-Y1012 PolarHBondContact O-N 3.23Å; A1010-Y1012 VanDerWaalsContact C-N 3.27Å; A1010-Y1012 PolarHBondContact O-N 3.37Å; Y1012-V1014 VanDerWaalsContact C-N 3.34Å; Y1012-V1014 PolarHBondContact O-N 2.77Å; Y1012-M1015 WeakPolarHBondContact O-CB 3.43Å; Y1012-M1015 PolarHBondContact O-N 3.21Å; Y1012-E1016 HydrophobicContact CD1-CB 4.44Å; Y1012-E1016 HydrophobicContact CE1-CB 4.03Å; Y1012-E1016 HydrophobicContact CE1-CG 4.28Å; Y1012-E1016 VanDerWaalsContact O-CB 3.31Å; Y1012-E1016 WeakPolarHBondContact O-CB 3.17Å; Y1012-E1016 PolarHBondContact O-N 3.22Å; Y1012-E1016 PolarHBondContact OH-OE2 3.17Å; Y1012-E1016 VanDerWaalsContact OH-OE2 3.07Å; Y1012-F1021 HydrophobicContact CD2-CD2 4.06Å; Y1012-F1021 AromaticContact CD2-CE2 3.34Å; Y1012-F1021 HydrophobicContact CD2-CE2 3.34Å; Y1012-F1021 AromaticContact CD2-CZ 3.82Å; Y1012-F1021 HydrophobicContact CD2-CZ 3.82Å; Y1012-F1021 AromaticContact CE2-CD2 3.65Å; Y1012-F1021 HydrophobicContact CE2-CD2 3.65Å; Y1012-F1021 AromaticContact CE2-CE2 3.39Å; Y1012-F1021 HydrophobicContact CE2-CE2 3.39Å; Y1012-F1021 HydrophobicContact CE2-CG 4.4Å; Y1012-F1021 AromaticContact CE2-CZ 3.94Å; Y1012-F1021 HydrophobicContact CE2-CZ 3.94Å; Y1012-F1021 HydrophobicContact CG-CE2 4.49Å; Y1012-I1054 HydrophobicContact CD1-CG1 4.48Å; Y1012-I1054 HydrophobicContact CD2-CB 4.39Å; Y1012-I1054 HydrophobicContact CD2-CD1 4.43Å; Y1012-I1054 HydrophobicContact CD2-CG1 4.27Å; Y1012-I1054 HydrophobicContact CD2-CG2 3.39Å; Y1012-I1054 HydrophobicContact CE2-CG2 3.63Å; Y1012-I1054 HydrophobicContact CG-CD1 4.21Å; Y1012-I1054 HydrophobicContact CG-CG1 3.96Å; Y1012-I1054 HydrophobicContact CG-CG2 3.95Å; Y1012-A1057 HydrophobicContact CE1-CB 3.74Å; Y1012-A1057 WeakPolarHBondContact OH-CB 3.42Å; Y1012-L1058 HydrophobicContact CE2-CD2 4.05Å; Y1012-L1058 HydrophobicContact CE2-CG 4.45Å |
| 1013 | L | 89.2 | Confident | 91.3 | Very high | 15 Ų | 15 | 21.5 Ų | 21.5 | 8% | 0.079 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.1 | -42 | 178.4 | -82.5 | -178.2 | 0 | 0 | 0 | 112.9 | F916 F926 P1009 A1010 D1011 M1015 E1016 N1017 | F916-L1013 HydrophobicContact CD1-CD1 3.98Å; F916-L1013 HydrophobicContact CE1-CD1 4.32Å; F926-L1013 HydrophobicContact CB-CD1 3.55Å; F926-L1013 HydrophobicContact CB-CD2 4.33Å; F926-L1013 HydrophobicContact CB-CG 3.79Å; F926-L1013 HydrophobicContact CD2-CD1 4.18Å; F926-L1013 HydrophobicContact CD2-CD2 3.43Å; F926-L1013 VanDerWaalsContact CD2-CD2 3.43Å; F926-L1013 HydrophobicContact CD2-CG 3.86Å; F926-L1013 HydrophobicContact CE2-CD2 3.88Å; F926-L1013 HydrophobicContact CG-CD1 4.15Å; F926-L1013 HydrophobicContact CG-CD2 4Å; F926-L1013 HydrophobicContact CG-CG 3.88Å; P1009-L1013 PolarHBondContact O-N 2.8Å; A1010-L1013 WeakPolarHBondContact O-CB 3.15Å; A1010-L1013 PolarHBondContact O-N 2.86Å; D1011-L1013 VanDerWaalsContact C-N 3.32Å; D1011-L1013 PolarHBondContact O-N 3.24Å; L1013-M1015 VanDerWaalsContact C-N 3.32Å; L1013-E1016 PolarHBondContact O-N 3.2Å; L1013-N1017 WeakPolarHBondContact O-CB 3.21Å; L1013-N1017 PolarHBondContact O-N 3.25Å; L1013-N1017 PolarHBondContact O-ND2 3.36Å |
| 1014 | V | 90.6 | Very high | 91.3 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.012 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.6 | -42.1 | 176.9 | 175.7 | 0 | 0 | 0 | 0 | 110.5 | T937 I939 V977 A1010 D1011 Y1012 S1018 | T937-V1014 HydrophobicContact CG2-CG2 3.88Å; I939-V1014 HydrophobicContact CD1-CB 4.11Å; I939-V1014 HydrophobicContact CD1-CG1 4.28Å; V977-V1014 HydrophobicContact CG2-CG1 3.87Å; A1010-V1014 PolarHBondContact O-N 3.35Å; D1011-V1014 PolarHBondContact O-N 3.3Å; Y1012-V1014 VanDerWaalsContact C-N 3.34Å; Y1012-V1014 PolarHBondContact O-N 2.77Å; V1014-S1018 WeakPolarHBondContact O-CB 3.46Å; V1014-S1018 PolarHBondContact O-N 3.18Å; V1014-S1018 VanDerWaalsContact O-N 3.16Å; V1014-S1018 PolarHBondContact O-OG 2.91Å |
| 1015 | M | 94.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.7 | -41.8 | 175.1 | -68.4 | -169 | -169.2 | 0 | 0 | 112.5 | I939 V977 C1002 L1006 D1011 Y1012 L1013 S1018 L1019 V1020 F1021 L1044 | I939-M1015 HydrophobicContact CD1-CE 3.44Å; I939-M1015 VanDerWaalsContact CD1-CE 3.44Å; I939-M1015 HydrophobicContact CD1-CG 3.55Å; I939-M1015 HydrophobicContact CD1-SD 4.33Å; I939-M1015 HydrophobicContact CG1-CE 3.86Å; V977-M1015 HydrophobicContact CG2-CG 4.16Å; C1002-M1015 HydrophobicContact CB-CE 3.74Å; C1002-M1015 HydrophobicContact CB-SD 4.17Å; C1002-M1015 WeakPolarHBondContact O-CE 3.31Å; L1006-M1015 HydrophobicContact CB-CE 3.77Å; L1006-M1015 HydrophobicContact CD1-CE 4.3Å; L1006-M1015 HydrophobicContact CD1-SD 4.38Å; L1006-M1015 HydrophobicContact CG-CE 4.49Å; D1011-M1015 WeakPolarHBondContact O-CG 3.32Å; D1011-M1015 PolarHBondContact O-N 3.33Å; D1011-M1015 VanDerWaalsContact O-N 3.07Å; Y1012-M1015 WeakPolarHBondContact O-CB 3.43Å; Y1012-M1015 PolarHBondContact O-N 3.21Å; L1013-M1015 VanDerWaalsContact C-N 3.32Å; M1015-S1018 CarbonylContact O-C 3.55Å; M1015-S1018 PolarHBondContact O-N 3.07Å; M1015-L1019 PolarHBondContact O-N 3.42Å; M1015-L1019 VanDerWaalsContact O-N 3.09Å; M1015-V1020 HydrophobicContact CB-CB 3.95Å; M1015-V1020 HydrophobicContact CB-CG2 3.89Å; M1015-V1020 HydrophobicContact CG-CB 4.48Å; M1015-V1020 HydrophobicContact CG-CG2 4.21Å; M1015-V1020 WeakPolarHBondContact O-CB 3.42Å; M1015-V1020 VanDerWaalsContact O-CG2 3.31Å; M1015-V1020 WeakPolarHBondContact O-CG2 3.15Å; M1015-V1020 PolarHBondContact O-N 2.7Å; M1015-F1021 HydrophobicContact CB-CD2 4.36Å; M1015-F1021 HydrophobicContact CB-CE2 4.01Å; M1015-F1021 HydrophobicContact SD-CE2 4.11Å; M1015-F1021 HydrophobicContact SD-CZ 4.43Å; M1015-L1044 HydrophobicContact CE-CD1 4.17Å; M1015-L1044 HydrophobicContact SD-CD1 4.07Å |
| 1016 | E | 93.3 | Very high | 91.6 | Very high | 21 Ų | 21 | 22.7 Ų | 22.7 | 10% | 0.098 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.4 | -44.5 | 178.8 | -176.5 | 62.8 | -162.9 | 0 | 0 | 111.2 | Y1012 L1013 S1018 L1019 H1062 | Y1012-E1016 HydrophobicContact CD1-CB 4.44Å; Y1012-E1016 HydrophobicContact CE1-CB 4.03Å; Y1012-E1016 HydrophobicContact CE1-CG 4.28Å; Y1012-E1016 VanDerWaalsContact O-CB 3.31Å; Y1012-E1016 WeakPolarHBondContact O-CB 3.17Å; Y1012-E1016 PolarHBondContact O-N 3.22Å; Y1012-E1016 PolarHBondContact OH-OE2 3.17Å; Y1012-E1016 VanDerWaalsContact OH-OE2 3.07Å; L1013-E1016 PolarHBondContact O-N 3.2Å; E1016-S1018 PolarHBondContact O-N 2.89Å; E1016-L1019 PolarHBondContact O-N 3.24Å; E1016-H1062 IonicContact OE1-CE1 2.6Å; E1016-H1062 IonicContact OE1-NE2 3.95Å; E1016-H1062 PolarHBondContact OE1-NE2 2.74Å; E1016-H1062 IonicContact OE2-CD2 3.55Å; E1016-H1062 IonicContact OE2-CE1 2.79Å; E1016-H1062 IonicContact OE2-NE2 3.55Å; E1016-H1062 PolarHBondContact OE2-NE2 3.49Å |
| 1017 | N | 91.3 | Very high | 91.6 | Very high | 69 Ų | 69 | 22.8 Ų | 22.8 | 37% | 0.369 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -59.3 | -31.3 | 174 | -73.2 | -14.8 | 0 | 0 | 0 | 112.1 | R975 Y976 L1013 L1019 | R975-N1017 WeakPolarHBondContact O-CB 3.32Å; R975-N1017 PolarHBondContact O-ND2 3.24Å; Y976-N1017 HydrophobicContact CD1-CB 3.93Å; Y976-N1017 HydrophobicContact CE1-CB 3.95Å; Y976-N1017 WeakPolarHBondContact CE1-O 3.1Å; L1013-N1017 WeakPolarHBondContact O-CB 3.21Å; L1013-N1017 PolarHBondContact O-N 3.25Å; L1013-N1017 PolarHBondContact O-ND2 3.36Å; N1017-L1019 VanDerWaalsContact C-N 3.3Å |
| 1018 | S | 94.1 | Very high | 92.1 | Very high | 10 Ų | 10 | 22 Ų | 22 | 7% | 0.07 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 6.8 | 178.5 | -46.2 | 0 | 0 | 0 | 0 | 113.1 | Y976 V977 F980 V1014 M1015 E1016 V1020 | Y976-S1018 VanDerWaalsContact CA-OG 3.25Å; Y976-S1018 WeakPolarHBondContact CA-OG 3.26Å; Y976-S1018 WeakPolarHBondContact CB-OG 3.39Å; V977-S1018 PolarHBondContact N-OG 3.18Å; F980-S1018 WeakPolarHBondContact CD1-O 3.47Å; V1014-S1018 WeakPolarHBondContact O-CB 3.46Å; V1014-S1018 PolarHBondContact O-N 3.18Å; V1014-S1018 VanDerWaalsContact O-N 3.16Å; V1014-S1018 PolarHBondContact O-OG 2.91Å; M1015-S1018 CarbonylContact O-C 3.55Å; M1015-S1018 PolarHBondContact O-N 3.07Å; E1016-S1018 PolarHBondContact O-N 2.89Å; S1018-V1020 PolarHBondContact O-N 3.1Å |
| 1019 | L | 95.2 | Very high | 92.5 | Very high | 74 Ų | 74 | 24.2 Ų | 24.2 | 39% | 0.387 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | 27.6 | 179.9 | -53.3 | 176.9 | 0 | 0 | 0 | 114 | M1015 E1016 N1017 F1021 K1022 H1023 | M1015-L1019 PolarHBondContact O-N 3.42Å; M1015-L1019 VanDerWaalsContact O-N 3.09Å; E1016-L1019 PolarHBondContact O-N 3.24Å; N1017-L1019 VanDerWaalsContact C-N 3.3Å; L1019-F1021 PolarHBondContact O-N 3.06Å; L1019-K1022 HydrophobicContact CB-CB 4.44Å; L1019-K1022 WeakPolarHBondContact O-CB 3.49Å; L1019-K1022 PolarHBondContact O-N 3.29Å; L1019-H1023 PolarHBondContact O-CD2 2.82Å; L1019-H1023 PolarHBondContact O-N 3.48Å; L1019-H1023 VanDerWaalsContact O-N 3.13Å |
| 1020 | V | 96.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56.8 | -53.7 | -175.2 | 175.7 | 0 | 0 | 0 | 0 | 110.9 | V977 F980 M1015 S1018 K1022 H1023 I1024 L1044 | V977-V1020 HydrophobicContact CG2-CG2 4.01Å; F980-V1020 HydrophobicContact CD1-CG2 4.06Å; F980-V1020 HydrophobicContact CD2-CG2 3.8Å; F980-V1020 HydrophobicContact CE1-CB 4.34Å; F980-V1020 HydrophobicContact CE1-CG2 3.97Å; F980-V1020 HydrophobicContact CE2-CB 4.19Å; F980-V1020 HydrophobicContact CE2-CG1 3.88Å; F980-V1020 HydrophobicContact CE2-CG2 3.71Å; F980-V1020 HydrophobicContact CG-CG2 4Å; F980-V1020 HydrophobicContact CZ-CB 3.98Å; F980-V1020 HydrophobicContact CZ-CG1 3.92Å; F980-V1020 HydrophobicContact CZ-CG2 3.81Å; M1015-V1020 HydrophobicContact CB-CB 3.95Å; M1015-V1020 HydrophobicContact CB-CG2 3.89Å; M1015-V1020 HydrophobicContact CG-CB 4.48Å; M1015-V1020 HydrophobicContact CG-CG2 4.21Å; M1015-V1020 WeakPolarHBondContact O-CB 3.42Å; M1015-V1020 VanDerWaalsContact O-CG2 3.31Å; M1015-V1020 WeakPolarHBondContact O-CG2 3.15Å; M1015-V1020 PolarHBondContact O-N 2.7Å; S1018-V1020 PolarHBondContact O-N 3.1Å; V1020-K1022 VanDerWaalsContact C-N 3.32Å; V1020-K1022 PolarHBondContact O-N 3.12Å; V1020-H1023 PolarHBondContact O-N 3.43Å; V1020-H1023 VanDerWaalsContact O-N 3.12Å; V1020-I1024 HydrophobicContact CG1-CD1 4.27Å; V1020-I1024 HydrophobicContact CG1-CG2 4.07Å; V1020-I1024 WeakPolarHBondContact O-CG1 3.34Å; V1020-I1024 WeakPolarHBondContact O-CG2 3.49Å; V1020-I1024 PolarHBondContact O-N 2.78Å; V1020-L1044 HydrophobicContact CG1-CD2 4.44Å |
| 1021 | F | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.6 | -40.8 | -177.3 | -75.6 | -81.6 | 0 | 0 | 0 | 112.6 | L1006 Y1012 M1015 L1019 H1023 I1024 L1025 L1044 L1045 A1048 L1058 H1062 | L1006-F1021 HydrophobicContact CD2-CZ 4.06Å; Y1012-F1021 HydrophobicContact CD2-CD2 4.06Å; Y1012-F1021 AromaticContact CD2-CE2 3.34Å; Y1012-F1021 HydrophobicContact CD2-CE2 3.34Å; Y1012-F1021 AromaticContact CD2-CZ 3.82Å; Y1012-F1021 HydrophobicContact CD2-CZ 3.82Å; Y1012-F1021 AromaticContact CE2-CD2 3.65Å; Y1012-F1021 HydrophobicContact CE2-CD2 3.65Å; Y1012-F1021 AromaticContact CE2-CE2 3.39Å; Y1012-F1021 HydrophobicContact CE2-CE2 3.39Å; Y1012-F1021 HydrophobicContact CE2-CG 4.4Å; Y1012-F1021 AromaticContact CE2-CZ 3.94Å; Y1012-F1021 HydrophobicContact CE2-CZ 3.94Å; Y1012-F1021 HydrophobicContact CG-CE2 4.49Å; M1015-F1021 HydrophobicContact CB-CD2 4.36Å; M1015-F1021 HydrophobicContact CB-CE2 4.01Å; M1015-F1021 HydrophobicContact SD-CE2 4.11Å; M1015-F1021 HydrophobicContact SD-CZ 4.43Å; L1019-F1021 PolarHBondContact O-N 3.06Å; F1021-H1023 PolarHBondContact O-N 3.39Å; F1021-I1024 HydrophobicContact CD1-CD1 4.07Å; F1021-I1024 HydrophobicContact CE1-CD1 4.48Å; F1021-I1024 WeakPolarHBondContact O-CG1 3.47Å; F1021-L1025 VanDerWaalsContact O-CB 3.3Å; F1021-L1025 WeakPolarHBondContact O-CB 3.25Å; F1021-L1025 WeakPolarHBondContact O-CD1 3.48Å; F1021-L1025 WeakPolarHBondContact O-CG 3.49Å; F1021-L1025 PolarHBondContact O-N 3.11Å; F1021-L1025 VanDerWaalsContact O-N 3.12Å; F1021-L1044 HydrophobicContact CE1-CG 4.35Å; F1021-L1044 HydrophobicContact CZ-CG 4.42Å; F1021-L1045 HydrophobicContact CD1-CD2 4.37Å; F1021-L1045 HydrophobicContact CE1-CD2 4.2Å; F1021-A1048 HydrophobicContact CE1-CB 4.2Å; F1021-A1048 HydrophobicContact CZ-CB 4.11Å; F1021-L1058 HydrophobicContact CD1-CD2 3.64Å; F1021-L1058 HydrophobicContact CE1-CD2 3.88Å; F1021-L1058 HydrophobicContact CG-CD2 4.07Å; F1021-L1058 HydrophobicContact CZ-CD2 4.5Å; F1021-H1062 VanDerWaalsContact CB-CE1 3.49Å; F1021-H1062 WeakPolarHBondContact CB-CE1 3.3Å |
| 1022 | K | 95 | Very high | 92 | Very high | 116 Ų | 116 | 39.1 Ų | 39.1 | 50% | 0.504 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -56.4 | -52.3 | 174.1 | -179.4 | -177.5 | 179.9 | -179.6 | 0 | 110.6 | L1019 V1020 C1026 | L1019-K1022 HydrophobicContact CB-CB 4.44Å; L1019-K1022 WeakPolarHBondContact O-CB 3.49Å; L1019-K1022 PolarHBondContact O-N 3.29Å; V1020-K1022 VanDerWaalsContact C-N 3.32Å; V1020-K1022 PolarHBondContact O-N 3.12Å; K1022-C1026 WeakPolarHBondContact O-CB 3.39Å; K1022-C1026 PolarHBondContact O-N 3.15Å; K1022-C1026 PolarHBondContact O-SG 3.2Å |
| 1023 | H | 95.2 | Very high | 91.6 | Very high | 37 Ų | 37 | 39.8 Ų | 39.8 | 17% | 0.171 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -72.3 | -40.3 | -173.8 | -67.7 | -57.4 | 0 | 0 | 0 | 113.4 | F980 F984 F985 L1019 V1020 F1021 A1027 | F980-H1023 HydrophobicContact CE1-CB 4.26Å; F980-H1023 HydrophobicContact CZ-CB 4.44Å; F984-H1023 HydrophobicContact CD1-CB 4.35Å; F984-H1023 HydrophobicContact CE1-CB 3.95Å; F984-H1023 HydrophobicContact CZ-CB 4.44Å; F985-H1023 AromaticContact CE2-CE1 3.99Å; F985-H1023 AromaticContact CE2-ND1 3.81Å; F985-H1023 HydrophobicContact CZ-CB 4.3Å; F985-H1023 AromaticContact CZ-CG 3.93Å; F985-H1023 AromaticContact CZ-ND1 3.49Å; F985-H1023 WeakPolarHBondContact CZ-ND1 3.31Å; L1019-H1023 PolarHBondContact O-CD2 2.82Å; L1019-H1023 PolarHBondContact O-N 3.48Å; L1019-H1023 VanDerWaalsContact O-N 3.13Å; V1020-H1023 PolarHBondContact O-N 3.43Å; V1020-H1023 VanDerWaalsContact O-N 3.12Å; F1021-H1023 PolarHBondContact O-N 3.39Å; H1023-A1027 VanDerWaalsContact O-CB 3.24Å; H1023-A1027 WeakPolarHBondContact O-CB 3.33Å; H1023-A1027 PolarHBondContact O-N 2.77Å |
| 1024 | I | 95.2 | Very high | 91.3 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.015 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -69.8 | -37.2 | -179.9 | 67.7 | -178.5 | 0 | 0 | 0 | 112.5 | F984 V1020 F1021 A1027 Y1028 F1037 V1041 L1044 | F984-I1024 HydrophobicContact CE2-CG2 4.01Å; F984-I1024 HydrophobicContact CZ-CG2 4.3Å; V1020-I1024 HydrophobicContact CG1-CD1 4.27Å; V1020-I1024 HydrophobicContact CG1-CG2 4.07Å; V1020-I1024 WeakPolarHBondContact O-CG1 3.34Å; V1020-I1024 WeakPolarHBondContact O-CG2 3.49Å; V1020-I1024 PolarHBondContact O-N 2.78Å; F1021-I1024 HydrophobicContact CD1-CD1 4.07Å; F1021-I1024 HydrophobicContact CE1-CD1 4.48Å; F1021-I1024 WeakPolarHBondContact O-CG1 3.47Å; I1024-A1027 PolarHBondContact O-N 2.8Å; I1024-Y1028 WeakPolarHBondContact O-CB 3.24Å; I1024-Y1028 PolarHBondContact O-N 3.34Å; I1024-F1037 HydrophobicContact CB-CZ 4.47Å; I1024-V1041 HydrophobicContact CB-CG2 4.11Å; I1024-V1041 HydrophobicContact CD1-CG1 4.44Å; I1024-V1041 HydrophobicContact CG1-CG1 4.44Å; I1024-L1044 HydrophobicContact CD1-CD2 3.43Å; I1024-L1044 VanDerWaalsContact CD1-CD2 3.43Å; I1024-L1044 HydrophobicContact CD1-CG 4.4Å |
| 1025 | L | 95.3 | Very high | 91.1 | Very high | 10 Ų | 10 | 45.9 Ų | 45.9 | 5% | 0.052 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -71.5 | -38.6 | 179.6 | -67.7 | 172.9 | 0 | 0 | 0 | 110.9 | F1021 S1029 V1041 L1045 H1062 I1064 W1067 | F1021-L1025 VanDerWaalsContact O-CB 3.3Å; F1021-L1025 WeakPolarHBondContact O-CB 3.25Å; F1021-L1025 WeakPolarHBondContact O-CD1 3.48Å; F1021-L1025 WeakPolarHBondContact O-CG 3.49Å; F1021-L1025 PolarHBondContact O-N 3.11Å; F1021-L1025 VanDerWaalsContact O-N 3.12Å; L1025-S1029 PolarHBondContact O-N 3.11Å; L1025-S1029 PolarHBondContact O-OG 2.92Å; L1025-V1041 HydrophobicContact CD2-CG1 4.48Å; L1025-L1045 HydrophobicContact CD2-CD1 4.11Å; L1025-L1045 HydrophobicContact CD2-CD2 4.42Å; L1025-H1062 HydrophobicContact CD1-CB 3.92Å; L1025-I1064 HydrophobicContact CD1-CD1 4.22Å; L1025-I1064 HydrophobicContact CD2-CD1 4.1Å; L1025-W1067 HydrophobicContact CD2-CD2 3.86Å; L1025-W1067 HydrophobicContact CD2-CE3 4.28Å; L1025-W1067 HydrophobicContact CD2-CG 4.34Å; L1025-W1067 HydrophobicContact CD2-CH2 4.19Å; L1025-W1067 HydrophobicContact CD2-CZ2 3.72Å; L1025-W1067 HydrophobicContact CD2-CZ3 4.44Å; L1025-W1067 PolarHBondContact O-NE1 2.88Å |
| 1026 | C | 93.7 | Very high | 90.8 | Very high | 78 Ų | 78 | 48.7 Ų | 48.7 | 53% | 0.527 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.6 | -46.7 | 169.7 | -71.5 | 0 | 0 | 0 | 0 | 111.3 | K1022 Y1028 S1029 | K1022-C1026 WeakPolarHBondContact O-CB 3.39Å; K1022-C1026 PolarHBondContact O-N 3.15Å; K1022-C1026 PolarHBondContact O-SG 3.2Å; C1026-Y1028 VanDerWaalsContact C-N 3.35Å; C1026-Y1028 PolarHBondContact O-N 2.87Å; C1026-S1029 VanDerWaalsContact O-CB 3.26Å; C1026-S1029 WeakPolarHBondContact O-CB 3.31Å; C1026-S1029 PolarHBondContact O-N 3.05Å; C1026-S1029 VanDerWaalsContact O-N 3.14Å |
| 1027 | A | 91.9 | Very high | 90.5 | Very high | 11 Ų | 11 | 48.2 Ų | 48.2 | 9% | 0.091 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.6 | -37.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F984 H1023 I1024 S1029 L1030 A1033 F1037 | F984-A1027 HydrophobicContact CE1-CB 4.23Å; F984-A1027 HydrophobicContact CZ-CB 3.73Å; H1023-A1027 VanDerWaalsContact O-CB 3.24Å; H1023-A1027 WeakPolarHBondContact O-CB 3.33Å; H1023-A1027 PolarHBondContact O-N 2.77Å; I1024-A1027 PolarHBondContact O-N 2.8Å; A1027-S1029 PolarHBondContact O-N 3.33Å; A1027-L1030 WeakPolarHBondContact O-CB 3.37Å; A1027-L1030 PolarHBondContact O-N 3.44Å; A1027-L1030 VanDerWaalsContact O-N 3.11Å; A1027-A1033 WeakPolarHBondContact O-CB 3.31Å; A1027-F1037 HydrophobicContact CB-CE1 3.77Å; A1027-F1037 HydrophobicContact CB-CZ 3.7Å |
| 1028 | Y | 92.9 | Very high | 90.6 | Very high | 6 Ų | 6 | 47.2 Ų | 47.2 | 2% | 0.024 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59 | -34.2 | 175 | -174.1 | -79.7 | 0 | 0 | 0 | 112.4 | I1024 C1026 L1030 K1038 V1041 L1042 W1067 Y1071 Q1081 F1085 | I1024-Y1028 WeakPolarHBondContact O-CB 3.24Å; I1024-Y1028 PolarHBondContact O-N 3.34Å; C1026-Y1028 VanDerWaalsContact C-N 3.35Å; C1026-Y1028 PolarHBondContact O-N 2.87Å; Y1028-L1030 PolarHBondContact O-N 2.77Å; Y1028-K1038 HydrophobicContact CD2-CB 3.95Å; Y1028-K1038 HydrophobicContact CD2-CG 3.72Å; Y1028-K1038 HydrophobicContact CE2-CB 3.48Å; Y1028-K1038 VanDerWaalsContact CE2-CB 3.48Å; Y1028-K1038 HydrophobicContact CE2-CD 4.18Å; Y1028-K1038 HydrophobicContact CE2-CG 3.58Å; Y1028-K1038 HydrophobicContact CG-CG 4.37Å; Y1028-V1041 HydrophobicContact CD2-CB 3.85Å; Y1028-V1041 HydrophobicContact CD2-CG1 3.89Å; Y1028-V1041 HydrophobicContact CD2-CG2 4.27Å; Y1028-V1041 HydrophobicContact CE2-CB 4.48Å; Y1028-L1042 HydrophobicContact CE2-CD2 4.24Å; Y1028-L1042 HydrophobicContact CE2-CG 4.1Å; Y1028-W1067 AromaticContact CD1-CH2 3.89Å; Y1028-W1067 HydrophobicContact CD1-CH2 3.89Å; Y1028-W1067 AromaticContact CD1-CZ2 3.27Å; Y1028-W1067 HydrophobicContact CD1-CZ2 3.27Å; Y1028-W1067 HydrophobicContact CD2-CH2 4.26Å; Y1028-W1067 HydrophobicContact CD2-CZ2 4.08Å; Y1028-W1067 AromaticContact CE1-CH2 3.87Å; Y1028-W1067 HydrophobicContact CE1-CH2 3.87Å; Y1028-W1067 AromaticContact CE1-CZ2 3.71Å; Y1028-W1067 HydrophobicContact CE1-CZ2 3.71Å; Y1028-W1067 HydrophobicContact CE2-CH2 4.22Å; Y1028-W1067 HydrophobicContact CE2-CZ2 4.42Å; Y1028-W1067 HydrophobicContact CG-CH2 4.1Å; Y1028-W1067 AromaticContact CG-CZ2 3.49Å; Y1028-W1067 HydrophobicContact CG-CZ2 3.49Å; Y1028-W1067 VanDerWaalsContact CG-CZ2 3.49Å; Y1028-Y1071 HydrophobicContact CD1-CD1 4.43Å; Y1028-Y1071 HydrophobicContact CD1-CD2 4.39Å; Y1028-Y1071 HydrophobicContact CD1-CG 4.32Å; Y1028-Y1071 HydrophobicContact CE1-CD1 4.08Å; Y1028-Y1071 HydrophobicContact CE1-CD2 4.39Å; Y1028-Y1071 AromaticContact CE1-CG 3.93Å; Y1028-Y1071 HydrophobicContact CE1-CG 3.93Å; Y1028-Q1081 PolarHBondContact OH-NE2 2.97Å; Y1028-F1085 WeakPolarHBondContact OH-CZ 3.34Å |
| 1029 | S | 89.9 | Confident | 90.4 | Very high | 46 Ų | 46 | 48 Ų | 48 | 32% | 0.322 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -14.5 | -179.4 | -56.8 | 0 | 0 | 0 | 0 | 113.2 | L1025 C1026 A1027 Y1071 | L1025-S1029 PolarHBondContact O-N 3.11Å; L1025-S1029 PolarHBondContact O-OG 2.92Å; C1026-S1029 VanDerWaalsContact O-CB 3.26Å; C1026-S1029 WeakPolarHBondContact O-CB 3.31Å; C1026-S1029 PolarHBondContact O-N 3.05Å; C1026-S1029 VanDerWaalsContact O-N 3.14Å; A1027-S1029 PolarHBondContact O-N 3.33Å; S1029-Y1071 WeakPolarHBondContact CA-OH 3.41Å; S1029-Y1071 WeakPolarHBondContact CB-OH 3.4Å; S1029-Y1071 PolarHBondContact OG-OH 3.46Å |
| 1030 | L | 87.8 | Confident | 90.2 | Very high | 89 Ų | 89 | 45.6 Ų | 45.6 | 47% | 0.466 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -73.8 | 135.5 | 179.4 | -63.7 | 171.9 | 0 | 0 | 0 | 110.4 | A1027 Y1028 S1032 A1033 | A1027-L1030 WeakPolarHBondContact O-CB 3.37Å; A1027-L1030 PolarHBondContact O-N 3.44Å; A1027-L1030 VanDerWaalsContact O-N 3.11Å; Y1028-L1030 PolarHBondContact O-N 2.77Å; L1030-S1032 PolarHBondContact O-N 2.94Å; L1030-S1032 VanDerWaalsContact O-N 3.15Å; L1030-A1033 VanDerWaalsContact O-CB 3.28Å; L1030-A1033 WeakPolarHBondContact O-CB 3.47Å; L1030-A1033 PolarHBondContact O-N 3.43Å |
| 1031 | P | 81.7 | Confident | 90.1 | Very high | 131 Ų | 131 | 45.8 Ų | 45.8 | 85% | 0.851 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -27.7 | 174.2 | -24.4 | 33.6 | 0 | 0 | 0 | 113.2 | A1033 | P1031-A1033 VanDerWaalsContact C-N 3.3Å; P1031-A1033 PolarHBondContact O-N 3.43Å |
| 1032 | S | 80.5 | Confident | 90.1 | Very high | 103 Ų | 103 | 45.8 Ų | 45.8 | 72% | 0.72 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -1.6 | 178.9 | 55.2 | 0 | 0 | 0 | 0 | 114.6 | L1030 D1034 | L1030-S1032 PolarHBondContact O-N 2.94Å; L1030-S1032 VanDerWaalsContact O-N 3.15Å; S1032-D1034 PolarHBondContact O-N 3.11Å |
| 1033 | A | 84.6 | Confident | 90.1 | Very high | 15 Ų | 15 | 45.8 Ų | 45.8 | 12% | 0.124 | 26% | 0.264 | C | S | . | . | trans | -68.3 | 120.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | A1027 L1030 P1031 F1037 K1038 | A1027-A1033 WeakPolarHBondContact O-CB 3.31Å; L1030-A1033 VanDerWaalsContact O-CB 3.28Å; L1030-A1033 WeakPolarHBondContact O-CB 3.47Å; L1030-A1033 PolarHBondContact O-N 3.43Å; P1031-A1033 VanDerWaalsContact C-N 3.3Å; P1031-A1033 PolarHBondContact O-N 3.43Å; A1033-F1037 HydrophobicContact CB-CD1 4.19Å; A1033-K1038 HydrophobicContact CB-CG 4.28Å; A1033-K1038 WeakPolarHBondContact O-CE 3.44Å | ||
| 1034 | D | 82.5 | Confident | 90.1 | Very high | 82 Ų | 82 | 44.2 Ų | 44.2 | 44% | 0.439 | 26% | 0.257 | S | S | . | . | trans | -66.8 | 151.8 | 179 | 63.1 | -64.8 | 0 | 0 | 0 | 111.9 | S1032 S1036 F1037 K1038 | S1032-D1034 PolarHBondContact O-N 3.11Å; D1034-S1036 VanDerWaalsContact C-N 3.31Å; D1034-S1036 PolarHBondContact O-N 3Å; D1034-F1037 VanDerWaalsContact CG-CB 3.42Å; D1034-F1037 PolarHBondContact O-N 2.97Å; D1034-F1037 WeakPolarHBondContact OD1-CB 3.48Å; D1034-F1037 WeakPolarHBondContact OD2-CB 3.3Å; D1034-F1037 PolarHBondContact OD2-N 3.22Å; D1034-K1038 WeakPolarHBondContact O-CG 3.41Å; D1034-K1038 PolarHBondContact O-N 2.84Å | ||
| 1035 | L | 87.1 | Confident | 90.2 | Very high | 63 Ų | 63 | 44 Ų | 44 | 33% | 0.33 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.5 | -37.8 | -176 | -172 | 65.5 | 0 | 0 | 0 | 112 | F1037 K1038 F1039 F1078 | L1035-F1037 PolarHBondContact O-N 3.3Å; L1035-K1038 WeakPolarHBondContact O-CB 3.49Å; L1035-K1038 PolarHBondContact O-N 2.7Å; L1035-F1039 HydrophobicContact CD1-CD2 4.21Å; L1035-F1039 HydrophobicContact CD1-CE2 3.81Å; L1035-F1039 HydrophobicContact CD2-CE2 3.91Å; L1035-F1039 HydrophobicContact CG-CD2 3.82Å; L1035-F1039 HydrophobicContact CG-CE2 3.55Å; L1035-F1039 WeakPolarHBondContact O-CD2 3.26Å; L1035-F1039 PolarHBondContact O-N 2.68Å; L1035-F1078 HydrophobicContact CD1-CD2 3.84Å; L1035-F1078 HydrophobicContact CD1-CE2 3.91Å; L1035-F1078 HydrophobicContact CD2-CD1 4.5Å; L1035-F1078 HydrophobicContact CD2-CD2 3.96Å; L1035-F1078 HydrophobicContact CD2-CE1 4.12Å; L1035-F1078 HydrophobicContact CD2-CE2 3.53Å; L1035-F1078 HydrophobicContact CD2-CG 4.42Å; L1035-F1078 HydrophobicContact CD2-CZ 3.62Å; L1035-F1078 HydrophobicContact CG-CE2 4.38Å |
| 1036 | S | 87 | Confident | 90.2 | Very high | 58 Ų | 58 | 44.2 Ų | 44.2 | 41% | 0.406 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.2 | -44 | 177.3 | -178.8 | 0 | 0 | 0 | 0 | 111.7 | D1034 F1039 S1040 | D1034-S1036 VanDerWaalsContact C-N 3.31Å; D1034-S1036 PolarHBondContact O-N 3Å; S1036-F1039 PolarHBondContact O-N 3.17Å; S1036-S1040 PolarHBondContact O-N 2.73Å; S1036-S1040 PolarHBondContact O-OG 3.05Å |
| 1037 | F | 88.7 | Confident | 90.1 | Very high | 11 Ų | 11 | 42.2 Ų | 42.2 | 5% | 0.048 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.9 | -45.2 | 172.3 | 174.9 | -103.6 | 0 | 0 | 0 | 111.8 | F984 C999 I1024 A1027 A1033 D1034 L1035 F1039 S1040 V1041 | F984-F1037 AromaticContact CE2-CE2 3.95Å; F984-F1037 HydrophobicContact CE2-CE2 3.95Å; F984-F1037 HydrophobicContact CE2-CZ 4.19Å; F984-F1037 HydrophobicContact CZ-CE2 4.37Å; F984-F1037 HydrophobicContact CZ-CZ 4.16Å; C999-F1037 VanDerWaalsContact SG-CE2 3.56Å; I1024-F1037 HydrophobicContact CB-CZ 4.47Å; A1027-F1037 HydrophobicContact CB-CE1 3.77Å; A1027-F1037 HydrophobicContact CB-CZ 3.7Å; A1033-F1037 HydrophobicContact CB-CD1 4.19Å; D1034-F1037 VanDerWaalsContact CG-CB 3.42Å; D1034-F1037 PolarHBondContact O-N 2.97Å; D1034-F1037 WeakPolarHBondContact OD1-CB 3.48Å; D1034-F1037 WeakPolarHBondContact OD2-CB 3.3Å; D1034-F1037 PolarHBondContact OD2-N 3.22Å; L1035-F1037 PolarHBondContact O-N 3.3Å; F1037-F1039 VanDerWaalsContact C-N 3.33Å; F1037-F1039 PolarHBondContact O-N 3.34Å; F1037-S1040 WeakPolarHBondContact O-CA 3.33Å; F1037-S1040 WeakPolarHBondContact O-CB 3.43Å; F1037-S1040 PolarHBondContact O-N 2.75Å; F1037-V1041 HydrophobicContact CD1-CG2 4.22Å; F1037-V1041 HydrophobicContact CD2-CG2 4.41Å; F1037-V1041 HydrophobicContact CE1-CG2 3.75Å; F1037-V1041 HydrophobicContact CE2-CG2 3.95Å; F1037-V1041 HydrophobicContact CZ-CG2 3.59Å; F1037-V1041 WeakPolarHBondContact O-CG2 3.36Å; F1037-V1041 PolarHBondContact O-N 2.91Å |
| 1038 | K | 91.5 | Very high | 90.2 | Very high | 49 Ų | 49 | 41.7 Ų | 41.7 | 21% | 0.213 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.3 | -46.1 | 176.7 | -72.4 | -174.7 | 179.3 | 177.1 | 0 | 111.9 | Y1028 A1033 D1034 L1035 S1040 V1041 L1042 | Y1028-K1038 HydrophobicContact CD2-CB 3.95Å; Y1028-K1038 HydrophobicContact CD2-CG 3.72Å; Y1028-K1038 HydrophobicContact CE2-CB 3.48Å; Y1028-K1038 VanDerWaalsContact CE2-CB 3.48Å; Y1028-K1038 HydrophobicContact CE2-CD 4.18Å; Y1028-K1038 HydrophobicContact CE2-CG 3.58Å; Y1028-K1038 HydrophobicContact CG-CG 4.37Å; A1033-K1038 HydrophobicContact CB-CG 4.28Å; A1033-K1038 WeakPolarHBondContact O-CE 3.44Å; D1034-K1038 WeakPolarHBondContact O-CG 3.41Å; D1034-K1038 PolarHBondContact O-N 2.84Å; L1035-K1038 WeakPolarHBondContact O-CB 3.49Å; L1035-K1038 PolarHBondContact O-N 2.7Å; K1038-S1040 VanDerWaalsContact C-N 3.32Å; K1038-S1040 PolarHBondContact O-N 2.92Å; K1038-V1041 PolarHBondContact O-N 3.41Å; K1038-L1042 WeakPolarHBondContact O-CG 3.29Å; K1038-L1042 PolarHBondContact O-N 3.39Å |
| 1039 | F | 91.8 | Very high | 90.3 | Very high | 25 Ų | 25 | 41.5 Ų | 41.5 | 11% | 0.11 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.9 | -40.6 | 173.5 | -82.5 | -65.8 | 0 | 0 | 0 | 112.9 | L1035 S1036 F1037 L1042 R1043 F1078 E1080 Q1081 L1084 | L1035-F1039 HydrophobicContact CD1-CD2 4.21Å; L1035-F1039 HydrophobicContact CD1-CE2 3.81Å; L1035-F1039 HydrophobicContact CD2-CE2 3.91Å; L1035-F1039 HydrophobicContact CG-CD2 3.82Å; L1035-F1039 HydrophobicContact CG-CE2 3.55Å; L1035-F1039 WeakPolarHBondContact O-CD2 3.26Å; L1035-F1039 PolarHBondContact O-N 2.68Å; S1036-F1039 PolarHBondContact O-N 3.17Å; F1037-F1039 VanDerWaalsContact C-N 3.33Å; F1037-F1039 PolarHBondContact O-N 3.34Å; F1039-L1042 PolarHBondContact O-N 3.33Å; F1039-R1043 WeakPolarHBondContact O-CB 3.43Å; F1039-R1043 WeakPolarHBondContact O-CG 3.44Å; F1039-R1043 PolarHBondContact O-N 3.49Å; F1039-F1078 HydrophobicContact CZ-CB 4.45Å; F1039-E1080 HydrophobicContact CE1-CB 3.86Å; F1039-E1080 HydrophobicContact CE1-CG 3.82Å; F1039-E1080 HydrophobicContact CZ-CB 4.09Å; F1039-E1080 HydrophobicContact CZ-CG 4.41Å; F1039-Q1081 HydrophobicContact CE1-CB 3.97Å; F1039-Q1081 HydrophobicContact CZ-CB 4.15Å; F1039-L1084 HydrophobicContact CD1-CD1 3.61Å; F1039-L1084 HydrophobicContact CE1-CD1 4.06Å |
| 1040 | S | 90.9 | Very high | 90.2 | Very high | 25 Ų | 25 | 45.3 Ų | 45.3 | 18% | 0.175 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.9 | -43 | 177.3 | -54.8 | 0 | 0 | 0 | 0 | 111.7 | V1003 S1036 F1037 K1038 R1043 L1044 | V1003-S1040 WeakPolarHBondContact CG2-O 3.23Å; S1036-S1040 PolarHBondContact O-N 2.73Å; S1036-S1040 PolarHBondContact O-OG 3.05Å; F1037-S1040 WeakPolarHBondContact O-CA 3.33Å; F1037-S1040 WeakPolarHBondContact O-CB 3.43Å; F1037-S1040 PolarHBondContact O-N 2.75Å; K1038-S1040 VanDerWaalsContact C-N 3.32Å; K1038-S1040 PolarHBondContact O-N 2.92Å; S1040-R1043 PolarHBondContact O-N 3.36Å; S1040-L1044 WeakPolarHBondContact O-CB 3.15Å; S1040-L1044 PolarHBondContact O-N 3.11Å |
| 1041 | V | 93.9 | Very high | 90.2 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.6 | -45 | 175.4 | 175.6 | 0 | 0 | 0 | 0 | 111 | I1024 L1025 Y1028 F1037 K1038 L1044 L1045 | I1024-V1041 HydrophobicContact CB-CG2 4.11Å; I1024-V1041 HydrophobicContact CD1-CG1 4.44Å; I1024-V1041 HydrophobicContact CG1-CG1 4.44Å; L1025-V1041 HydrophobicContact CD2-CG1 4.48Å; Y1028-V1041 HydrophobicContact CD2-CB 3.85Å; Y1028-V1041 HydrophobicContact CD2-CG1 3.89Å; Y1028-V1041 HydrophobicContact CD2-CG2 4.27Å; Y1028-V1041 HydrophobicContact CE2-CB 4.48Å; F1037-V1041 HydrophobicContact CD1-CG2 4.22Å; F1037-V1041 HydrophobicContact CD2-CG2 4.41Å; F1037-V1041 HydrophobicContact CE1-CG2 3.75Å; F1037-V1041 HydrophobicContact CE2-CG2 3.95Å; F1037-V1041 HydrophobicContact CZ-CG2 3.59Å; F1037-V1041 WeakPolarHBondContact O-CG2 3.36Å; F1037-V1041 PolarHBondContact O-N 2.91Å; K1038-V1041 PolarHBondContact O-N 3.41Å; V1041-L1044 WeakPolarHBondContact O-CB 3.13Å; V1041-L1044 PolarHBondContact O-N 2.97Å; V1041-L1045 HydrophobicContact CG1-CD1 4.36Å; V1041-L1045 WeakPolarHBondContact O-CG 3.2Å; V1041-L1045 PolarHBondContact O-N 3.38Å |
| 1042 | L | 95.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65 | -41.5 | 178.4 | -66 | 178.6 | 0 | 0 | 0 | 112.2 | Y1028 K1038 F1039 L1044 L1045 V1046 W1067 Q1081 L1084 F1085 I1088 | Y1028-L1042 HydrophobicContact CE2-CD2 4.24Å; Y1028-L1042 HydrophobicContact CE2-CG 4.1Å; K1038-L1042 WeakPolarHBondContact O-CG 3.29Å; K1038-L1042 PolarHBondContact O-N 3.39Å; F1039-L1042 PolarHBondContact O-N 3.33Å; L1042-L1044 VanDerWaalsContact C-N 3.32Å; L1042-L1044 PolarHBondContact O-N 2.9Å; L1042-L1045 HydrophobicContact CD2-CD1 4.43Å; L1042-L1045 WeakPolarHBondContact O-CB 3.5Å; L1042-L1045 PolarHBondContact O-N 3.36Å; L1042-L1045 VanDerWaalsContact O-N 3.16Å; L1042-V1046 WeakPolarHBondContact O-CG2 3.43Å; L1042-V1046 PolarHBondContact O-N 3.12Å; L1042-W1067 HydrophobicContact CD2-CH2 4.13Å; L1042-W1067 HydrophobicContact CD2-CZ3 4.41Å; L1042-Q1081 HydrophobicContact CD1-CB 4.45Å; L1042-Q1081 HydrophobicContact CD1-CG 3.41Å; L1042-Q1081 VanDerWaalsContact CD1-CG 3.41Å; L1042-L1084 HydrophobicContact CB-CB 4.06Å; L1042-L1084 HydrophobicContact CB-CD1 3.9Å; L1042-L1084 HydrophobicContact CD1-CB 4.26Å; L1042-L1084 HydrophobicContact CD1-CD1 4.31Å; L1042-F1085 HydrophobicContact CD1-CE2 4.21Å; L1042-F1085 HydrophobicContact CD1-CZ 4.23Å; L1042-F1085 HydrophobicContact CD2-CD1 3.89Å; L1042-F1085 HydrophobicContact CD2-CE1 3.44Å; L1042-F1085 VanDerWaalsContact CD2-CE1 3.44Å; L1042-F1085 HydrophobicContact CD2-CZ 3.8Å; L1042-I1088 HydrophobicContact CD2-CD1 4.03Å |
| 1043 | R | 94.9 | Very high | 90.9 | Very high | 116 Ų | 116 | 39.3 Ų | 39.3 | 44% | 0.438 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.9 | -38.6 | 174.8 | -72.3 | 176.5 | -175.8 | -169 | 1.1 | 112 | V1003 F1039 S1040 L1045 V1046 N1047 E1080 L1084 | V1003-R1043 HydrophobicContact CG1-CB 3.8Å; F1039-R1043 WeakPolarHBondContact O-CB 3.43Å; F1039-R1043 WeakPolarHBondContact O-CG 3.44Å; F1039-R1043 PolarHBondContact O-N 3.49Å; S1040-R1043 PolarHBondContact O-N 3.36Å; R1043-L1045 VanDerWaalsContact C-N 3.34Å; R1043-V1046 PolarHBondContact O-N 3.23Å; R1043-N1047 PolarHBondContact O-N 3.46Å; R1043-E1080 IonicContact NH2-OE1 3.83Å; R1043-E1080 PolarHBondContact NH2-OE1 3.11Å; R1043-L1084 HydrophobicContact CG-CD1 4.27Å; R1043-L1084 HydrophobicContact CG-CD2 4.26Å |
| 1044 | L | 95.5 | Very high | 91.3 | Very high | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63 | -40.9 | 173 | -178.2 | 57.6 | 0 | 0 | 0 | 111.8 | C1002 V1003 L1006 M1015 V1020 F1021 I1024 S1040 V1041 L1042 N1047 A1048 | C1002-L1044 HydrophobicContact CB-CD1 4.43Å; C1002-L1044 HydrophobicContact CB-CD2 4.07Å; V1003-L1044 HydrophobicContact CG2-CB 4.09Å; L1006-L1044 HydrophobicContact CB-CD1 3.88Å; L1006-L1044 HydrophobicContact CD2-CD1 3.56Å; L1006-L1044 HydrophobicContact CD2-CG 4.49Å; L1006-L1044 HydrophobicContact CG-CD1 4.38Å; M1015-L1044 HydrophobicContact CE-CD1 4.17Å; M1015-L1044 HydrophobicContact SD-CD1 4.07Å; V1020-L1044 HydrophobicContact CG1-CD2 4.44Å; F1021-L1044 HydrophobicContact CE1-CG 4.35Å; F1021-L1044 HydrophobicContact CZ-CG 4.42Å; I1024-L1044 HydrophobicContact CD1-CD2 3.43Å; I1024-L1044 VanDerWaalsContact CD1-CD2 3.43Å; I1024-L1044 HydrophobicContact CD1-CG 4.4Å; S1040-L1044 WeakPolarHBondContact O-CB 3.15Å; S1040-L1044 PolarHBondContact O-N 3.11Å; V1041-L1044 WeakPolarHBondContact O-CB 3.13Å; V1041-L1044 PolarHBondContact O-N 2.97Å; L1042-L1044 VanDerWaalsContact C-N 3.32Å; L1042-L1044 PolarHBondContact O-N 2.9Å; L1044-N1047 PolarHBondContact O-N 3.04Å; L1044-A1048 WeakPolarHBondContact O-CB 3.47Å; L1044-A1048 PolarHBondContact O-N 2.9Å |
| 1045 | L | 96.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.8 | -38.2 | 174.7 | -71 | 173.4 | 0 | 0 | 0 | 112.4 | F1021 L1025 V1041 L1042 R1043 N1047 A1048 T1049 L1058 I1064 W1067 I1088 | F1021-L1045 HydrophobicContact CD1-CD2 4.37Å; F1021-L1045 HydrophobicContact CE1-CD2 4.2Å; L1025-L1045 HydrophobicContact CD2-CD1 4.11Å; L1025-L1045 HydrophobicContact CD2-CD2 4.42Å; V1041-L1045 HydrophobicContact CG1-CD1 4.36Å; V1041-L1045 WeakPolarHBondContact O-CG 3.2Å; V1041-L1045 PolarHBondContact O-N 3.38Å; L1042-L1045 HydrophobicContact CD2-CD1 4.43Å; L1042-L1045 WeakPolarHBondContact O-CB 3.5Å; L1042-L1045 PolarHBondContact O-N 3.36Å; L1042-L1045 VanDerWaalsContact O-N 3.16Å; R1043-L1045 VanDerWaalsContact C-N 3.34Å; L1045-N1047 VanDerWaalsContact C-N 3.34Å; L1045-A1048 PolarHBondContact O-N 3.35Å; L1045-T1049 WeakPolarHBondContact O-CB 3.33Å; L1045-T1049 VanDerWaalsContact O-CG2 3.31Å; L1045-T1049 WeakPolarHBondContact O-CG2 3.49Å; L1045-T1049 PolarHBondContact O-N 3.42Å; L1045-T1049 PolarHBondContact O-OG1 3.46Å; L1045-L1058 HydrophobicContact CD2-CD1 4.35Å; L1045-I1064 HydrophobicContact CD1-CD1 4.23Å; L1045-I1064 HydrophobicContact CD2-CD1 3.89Å; L1045-W1067 HydrophobicContact CD1-CE3 4.48Å; L1045-W1067 HydrophobicContact CD1-CH2 3.97Å; L1045-W1067 HydrophobicContact CD1-CZ3 3.75Å; L1045-I1088 HydrophobicContact CB-CD1 3.64Å; L1045-I1088 HydrophobicContact CB-CG1 4.1Å; L1045-I1088 HydrophobicContact CD1-CD1 4.28Å |
| 1046 | V | 95.2 | Very high | 91.9 | Very high | 14 Ų | 14 | 34.7 Ų | 34.7 | 9% | 0.085 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.5 | -48.2 | 171.7 | 169.5 | 0 | 0 | 0 | 0 | 109.9 | L1042 R1043 A1048 T1049 K1050 L1084 C1087 I1088 | L1042-V1046 WeakPolarHBondContact O-CG2 3.43Å; L1042-V1046 PolarHBondContact O-N 3.12Å; R1043-V1046 PolarHBondContact O-N 3.23Å; V1046-A1048 VanDerWaalsContact C-N 3.33Å; V1046-A1048 PolarHBondContact O-N 3.41Å; V1046-T1049 PolarHBondContact O-N 2.86Å; V1046-T1049 PolarHBondContact O-OG1 3.28Å; V1046-K1050 WeakPolarHBondContact O-CG 3.5Å; V1046-K1050 PolarHBondContact O-N 2.96Å; V1046-L1084 HydrophobicContact CG2-CD2 3.93Å; V1046-C1087 HydrophobicContact CG2-CB 4.37Å; V1046-I1088 HydrophobicContact CB-CG1 4.48Å; V1046-I1088 HydrophobicContact CG2-CD1 4.18Å; V1046-I1088 HydrophobicContact CG2-CG1 3.6Å |
| 1047 | N | 92 | Very high | 92 | Very high | 35 Ų | 35 | 32.2 Ų | 32.2 | 19% | 0.187 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63 | -39.5 | 177.9 | -72.1 | -14.6 | 0 | 0 | 0 | 112.4 | V1003 L1006 R1043 L1044 L1045 K1050 | V1003-N1047 PolarHBondContact O-ND2 2.92Å; L1006-N1047 HydrophobicContact CB-CB 4.33Å; L1006-N1047 HydrophobicContact CD2-CB 4.37Å; L1006-N1047 HydrophobicContact CG-CB 4.45Å; R1043-N1047 PolarHBondContact O-N 3.46Å; L1044-N1047 PolarHBondContact O-N 3.04Å; L1045-N1047 VanDerWaalsContact C-N 3.34Å; N1047-K1050 PolarHBondContact OD1-NZ 3.2Å |
| 1048 | A | 94.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.4 | -45.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1006 F1021 L1044 L1045 V1046 K1050 H1051 I1054 L1058 | L1006-A1048 HydrophobicContact CD2-CB 3.59Å; F1021-A1048 HydrophobicContact CE1-CB 4.2Å; F1021-A1048 HydrophobicContact CZ-CB 4.11Å; L1044-A1048 WeakPolarHBondContact O-CB 3.47Å; L1044-A1048 PolarHBondContact O-N 2.9Å; L1045-A1048 PolarHBondContact O-N 3.35Å; V1046-A1048 VanDerWaalsContact C-N 3.33Å; V1046-A1048 PolarHBondContact O-N 3.41Å; A1048-K1050 VanDerWaalsContact C-N 3.29Å; A1048-K1050 PolarHBondContact O-N 3.46Å; A1048-H1051 PolarHBondContact O-N 3.11Å; A1048-I1054 HydrophobicContact CB-CG2 3.8Å; A1048-I1054 WeakPolarHBondContact O-CB 3.35Å; A1048-L1058 HydrophobicContact CB-CD1 3.94Å |
| 1049 | T | 94.5 | Very high | 92.3 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.012 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -74 | -16.2 | -173.4 | 52 | 0 | 0 | 0 | 0 | 114.1 | L1045 V1046 H1051 V1055 L1058 I1088 N1091 I1092 | L1045-T1049 WeakPolarHBondContact O-CB 3.33Å; L1045-T1049 VanDerWaalsContact O-CG2 3.31Å; L1045-T1049 WeakPolarHBondContact O-CG2 3.49Å; L1045-T1049 PolarHBondContact O-N 3.42Å; L1045-T1049 PolarHBondContact O-OG1 3.46Å; V1046-T1049 PolarHBondContact O-N 2.86Å; V1046-T1049 PolarHBondContact O-OG1 3.28Å; T1049-H1051 PolarHBondContact O-N 3.03Å; T1049-H1051 VanDerWaalsContact O-N 3.1Å; T1049-V1055 HydrophobicContact CG2-CG2 4.11Å; T1049-V1055 WeakPolarHBondContact O-CG2 3.3Å; T1049-L1058 HydrophobicContact CG2-CD1 4.24Å; T1049-I1088 HydrophobicContact CG2-CG2 3.96Å; T1049-N1091 PolarHBondContact OG1-ND2 3.44Å; T1049-I1092 HydrophobicContact CG2-CD1 4.15Å; T1049-I1092 HydrophobicContact CG2-CG1 3.8Å |
| 1050 | K | 88.9 | Confident | 92.2 | Very high | 127 Ų | 127 | 39.5 Ų | 39.5 | 55% | 0.552 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -21.7 | 168.6 | -73.4 | 171.1 | -176.2 | 170.8 | 0 | 113.3 | V1046 N1047 A1048 | V1046-K1050 WeakPolarHBondContact O-CG 3.5Å; V1046-K1050 PolarHBondContact O-N 2.96Å; N1047-K1050 PolarHBondContact OD1-NZ 3.2Å; A1048-K1050 VanDerWaalsContact C-N 3.29Å; A1048-K1050 PolarHBondContact O-N 3.46Å |
| 1051 | H | 87.8 | Confident | 92.3 | Very high | 46 Ų | 46 | 42.5 Ų | 42.5 | 21% | 0.213 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -109.3 | 114.2 | 179.7 | -53.5 | -82.3 | 0 | 0 | 0 | 111.5 | G1007 A1048 T1049 R1053 I1054 V1055 | G1007-H1051 PolarHBondContact O-CE1 3.22Å; G1007-H1051 PolarHBondContact O-NE2 3.37Å; G1007-H1051 VanDerWaalsContact O-NE2 3.12Å; A1048-H1051 PolarHBondContact O-N 3.11Å; T1049-H1051 PolarHBondContact O-N 3.03Å; T1049-H1051 VanDerWaalsContact O-N 3.1Å; H1051-R1053 PolarHBondContact O-N 3.34Å; H1051-R1053 VanDerWaalsContact O-N 3.1Å; H1051-I1054 HydrophobicContact CB-CB 4.25Å; H1051-I1054 HydrophobicContact CB-CD1 3.74Å; H1051-I1054 HydrophobicContact CB-CG1 3.91Å; H1051-I1054 PolarHBondContact O-N 3.45Å; H1051-V1055 PolarHBondContact O-N 3.48Å; H1051-V1055 VanDerWaalsContact O-N 3.08Å |
| 1052 | S | 89 | Confident | 92.3 | Very high | 27 Ų | 27 | 43.8 Ų | 43.8 | 19% | 0.189 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -51.7 | -38.1 | -179.5 | 173.1 | 0 | 0 | 0 | 0 | 113.9 | I1054 V1055 H1056 | S1052-I1054 PolarHBondContact O-N 3.12Å; S1052-V1055 WeakPolarHBondContact O-CB 3.49Å; S1052-V1055 PolarHBondContact O-N 3.48Å; S1052-H1056 PolarHBondContact O-CD2 2.83Å; S1052-H1056 PolarHBondContact O-N 2.88Å |
| 1053 | R | 87.1 | Confident | 92.2 | Very high | 124 Ų | 124 | 46.1 Ų | 46.1 | 47% | 0.468 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.5 | -37.6 | 176.2 | -63.5 | -172.2 | -173.5 | 177.3 | 8.6 | 113.4 | S925 F926 H927 H1051 A1057 | S925-R1053 WeakPolarHBondContact O-CD 3.23Å; S925-R1053 PolarHBondContact O-NH1 2.96Å; F926-R1053 HydrophobicContact CD1-CB 4.43Å; F926-R1053 HydrophobicContact CE1-CB 4.33Å; H927-R1053 PolarHBondContact O-NH1 2.82Å; H1051-R1053 PolarHBondContact O-N 3.34Å; H1051-R1053 VanDerWaalsContact O-N 3.1Å; R1053-A1057 PolarHBondContact O-N 3.03Å |
| 1054 | I | 92.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -73.4 | -38.9 | 178.5 | -60 | 174.5 | 0 | 0 | 0 | 109.8 | L1006 P1009 Y1012 A1048 H1051 S1052 H1056 A1057 L1058 | L1006-I1054 HydrophobicContact CD1-CD1 4.37Å; P1009-I1054 HydrophobicContact CB-CG1 4.37Å; Y1012-I1054 HydrophobicContact CD1-CG1 4.48Å; Y1012-I1054 HydrophobicContact CD2-CB 4.39Å; Y1012-I1054 HydrophobicContact CD2-CD1 4.43Å; Y1012-I1054 HydrophobicContact CD2-CG1 4.27Å; Y1012-I1054 HydrophobicContact CD2-CG2 3.39Å; Y1012-I1054 HydrophobicContact CE2-CG2 3.63Å; Y1012-I1054 HydrophobicContact CG-CD1 4.21Å; Y1012-I1054 HydrophobicContact CG-CG1 3.96Å; Y1012-I1054 HydrophobicContact CG-CG2 3.95Å; A1048-I1054 HydrophobicContact CB-CG2 3.8Å; A1048-I1054 WeakPolarHBondContact O-CB 3.35Å; H1051-I1054 HydrophobicContact CB-CB 4.25Å; H1051-I1054 HydrophobicContact CB-CD1 3.74Å; H1051-I1054 HydrophobicContact CB-CG1 3.91Å; H1051-I1054 PolarHBondContact O-N 3.45Å; S1052-I1054 PolarHBondContact O-N 3.12Å; I1054-H1056 VanDerWaalsContact C-N 3.31Å; I1054-H1056 PolarHBondContact O-N 2.96Å; I1054-A1057 CarbonylContact O-C 3.57Å; I1054-A1057 WeakPolarHBondContact O-CA 3.24Å; I1054-A1057 WeakPolarHBondContact O-CB 3.36Å; I1054-A1057 PolarHBondContact O-N 2.98Å; I1054-L1058 HydrophobicContact CG2-CD1 4.05Å; I1054-L1058 HydrophobicContact CG2-CG 4.05Å; I1054-L1058 WeakPolarHBondContact O-CG 3.49Å; I1054-L1058 PolarHBondContact O-N 3.1Å |
| 1055 | V | 92.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -52.4 | -50.6 | 173.4 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | T1049 H1051 S1052 A1057 L1058 I1059 I1092 A1095 | T1049-V1055 HydrophobicContact CG2-CG2 4.11Å; T1049-V1055 WeakPolarHBondContact O-CG2 3.3Å; H1051-V1055 PolarHBondContact O-N 3.48Å; H1051-V1055 VanDerWaalsContact O-N 3.08Å; S1052-V1055 WeakPolarHBondContact O-CB 3.49Å; S1052-V1055 PolarHBondContact O-N 3.48Å; V1055-A1057 VanDerWaalsContact C-N 3.26Å; V1055-A1057 PolarHBondContact O-N 3.35Å; V1055-L1058 PolarHBondContact O-N 3.28Å; V1055-I1059 HydrophobicContact CG1-CD1 3.8Å; V1055-I1059 HydrophobicContact CG1-CG1 4.48Å; V1055-I1059 VanDerWaalsContact O-CG1 3.32Å; V1055-I1059 WeakPolarHBondContact O-CG1 3.46Å; V1055-I1059 PolarHBondContact O-N 3.19Å; V1055-I1092 HydrophobicContact CG1-CB 4.28Å; V1055-I1092 HydrophobicContact CG1-CG1 3.99Å; V1055-I1092 HydrophobicContact CG1-CG2 4.06Å; V1055-I1092 HydrophobicContact CG2-CG1 4.35Å; V1055-A1095 HydrophobicContact CB-CB 4.07Å; V1055-A1095 HydrophobicContact CG1-CB 4.11Å; V1055-A1095 HydrophobicContact CG2-CB 3.93Å |
| 1056 | H | 89.8 | Confident | 91.9 | Very high | 62 Ų | 62 | 47.6 Ų | 47.6 | 29% | 0.287 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.2 | -35.8 | 176.8 | -69.6 | -62.8 | 0 | 0 | 0 | 113 | S1052 I1054 R1060 K1099 | S1052-H1056 PolarHBondContact O-CD2 2.83Å; S1052-H1056 PolarHBondContact O-N 2.88Å; I1054-H1056 VanDerWaalsContact C-N 3.31Å; I1054-H1056 PolarHBondContact O-N 2.96Å; H1056-R1060 VanDerWaalsContact O-CB 3.27Å; H1056-R1060 WeakPolarHBondContact O-CB 3.47Å; H1056-R1060 PolarHBondContact O-N 3.07Å; H1056-K1099 PolarHBondContact NE2-NZ 2.96Å; H1056-K1099 VanDerWaalsContact NE2-NZ 3.15Å |
| 1057 | A | 90.3 | Very high | 91.8 | Very high | 5 Ų | 5 | 48.1 Ų | 48.1 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.9 | -43 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | F926 Y1012 R1053 I1054 V1055 R1060 F1061 | F926-A1057 HydrophobicContact CE1-CB 4.26Å; F926-A1057 HydrophobicContact CZ-CB 3.78Å; Y1012-A1057 HydrophobicContact CE1-CB 3.74Å; Y1012-A1057 WeakPolarHBondContact OH-CB 3.42Å; R1053-A1057 PolarHBondContact O-N 3.03Å; I1054-A1057 CarbonylContact O-C 3.57Å; I1054-A1057 WeakPolarHBondContact O-CA 3.24Å; I1054-A1057 WeakPolarHBondContact O-CB 3.36Å; I1054-A1057 PolarHBondContact O-N 2.98Å; V1055-A1057 VanDerWaalsContact C-N 3.26Å; V1055-A1057 PolarHBondContact O-N 3.35Å; A1057-R1060 PolarHBondContact O-N 2.9Å; A1057-F1061 HydrophobicContact CB-CD2 4.07Å; A1057-F1061 HydrophobicContact CB-CE2 4.27Å; A1057-F1061 WeakPolarHBondContact O-CB 3.38Å; A1057-F1061 VanDerWaalsContact O-CD2 3.27Å; A1057-F1061 WeakPolarHBondContact O-CD2 3.19Å; A1057-F1061 PolarHBondContact O-N 3.23Å |
| 1058 | L | 94.9 | Very high | 92 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.9 | -40.5 | 176.6 | -69.4 | 175.4 | 0 | 0 | 0 | 112 | Y1012 F1021 L1045 A1048 T1049 I1054 V1055 H1062 A1063 I1064 | Y1012-L1058 HydrophobicContact CE2-CD2 4.05Å; Y1012-L1058 HydrophobicContact CE2-CG 4.45Å; F1021-L1058 HydrophobicContact CD1-CD2 3.64Å; F1021-L1058 HydrophobicContact CE1-CD2 3.88Å; F1021-L1058 HydrophobicContact CG-CD2 4.07Å; F1021-L1058 HydrophobicContact CZ-CD2 4.5Å; L1045-L1058 HydrophobicContact CD2-CD1 4.35Å; A1048-L1058 HydrophobicContact CB-CD1 3.94Å; T1049-L1058 HydrophobicContact CG2-CD1 4.24Å; I1054-L1058 HydrophobicContact CG2-CD1 4.05Å; I1054-L1058 HydrophobicContact CG2-CG 4.05Å; I1054-L1058 WeakPolarHBondContact O-CG 3.49Å; I1054-L1058 PolarHBondContact O-N 3.1Å; V1055-L1058 PolarHBondContact O-N 3.28Å; L1058-H1062 CarbonylContact O-C 3.41Å; L1058-H1062 WeakPolarHBondContact O-CA 3.27Å; L1058-H1062 WeakPolarHBondContact O-CB 3.17Å; L1058-H1062 PolarHBondContact O-N 2.83Å; L1058-A1063 PolarHBondContact O-N 3.07Å; L1058-I1064 HydrophobicContact CB-CB 4Å; L1058-I1064 HydrophobicContact CB-CG1 4.45Å; L1058-I1064 HydrophobicContact CB-CG2 3.81Å; L1058-I1064 PolarHBondContact O-N 3.31Å |
| 1059 | I | 91.8 | Very high | 91.8 | Very high | 39 Ų | 39 | 48.8 Ų | 48.8 | 20% | 0.2 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.3 | -47.6 | 174.1 | -67 | 168.7 | 0 | 0 | 0 | 110 | V1055 I1064 L1065 L1096 I1105 | V1055-I1059 HydrophobicContact CG1-CD1 3.8Å; V1055-I1059 HydrophobicContact CG1-CG1 4.48Å; V1055-I1059 VanDerWaalsContact O-CG1 3.32Å; V1055-I1059 WeakPolarHBondContact O-CG1 3.46Å; V1055-I1059 PolarHBondContact O-N 3.19Å; I1059-I1064 HydrophobicContact CG1-CG2 3.84Å; I1059-L1065 HydrophobicContact CG1-CD1 4.42Å; I1059-L1065 HydrophobicContact CG1-CG 4.31Å; I1059-L1096 HydrophobicContact CD1-CD1 4.37Å; I1059-L1096 HydrophobicContact CD1-CD2 4.09Å; I1059-I1105 HydrophobicContact CD1-CD1 4.3Å; I1059-I1105 HydrophobicContact CG2-CD1 3.96Å |
| 1060 | R | 90 | Very high | 91.6 | Very high | 199 Ų | 199 | 57 Ų | 57 | 75% | 0.751 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -72.9 | -43.9 | -174.4 | -177.9 | 176.9 | 179 | 145.7 | 4.9 | 114.1 | H1056 A1057 | H1056-R1060 VanDerWaalsContact O-CB 3.27Å; H1056-R1060 WeakPolarHBondContact O-CB 3.47Å; H1056-R1060 PolarHBondContact O-N 3.07Å; A1057-R1060 PolarHBondContact O-N 2.9Å |
| 1061 | F | 91.5 | Very high | 91.7 | Very high | 87 Ų | 87 | 53.1 Ų | 53.1 | 38% | 0.382 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -101.9 | -25.5 | -169 | -58.8 | -54.6 | 0 | 0 | 0 | 113.5 | A1057 | A1057-F1061 HydrophobicContact CB-CD2 4.07Å; A1057-F1061 HydrophobicContact CB-CE2 4.27Å; A1057-F1061 WeakPolarHBondContact O-CB 3.38Å; A1057-F1061 VanDerWaalsContact O-CD2 3.27Å; A1057-F1061 WeakPolarHBondContact O-CD2 3.19Å; A1057-F1061 PolarHBondContact O-N 3.23Å |
| 1062 | H | 94.4 | Very high | 91.7 | Very high | 31 Ų | 31 | 51 Ų | 51 | 14% | 0.144 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -119.8 | 4.3 | -173.3 | -61.9 | -69.5 | 0 | 0 | 0 | 113.6 | E1016 F1021 L1025 L1058 I1064 | E1016-H1062 IonicContact OE1-CE1 2.6Å; E1016-H1062 IonicContact OE1-NE2 3.95Å; E1016-H1062 PolarHBondContact OE1-NE2 2.74Å; E1016-H1062 IonicContact OE2-CD2 3.55Å; E1016-H1062 IonicContact OE2-CE1 2.79Å; E1016-H1062 IonicContact OE2-NE2 3.55Å; E1016-H1062 PolarHBondContact OE2-NE2 3.49Å; F1021-H1062 VanDerWaalsContact CB-CE1 3.49Å; F1021-H1062 WeakPolarHBondContact CB-CE1 3.3Å; L1025-H1062 HydrophobicContact CD1-CB 3.92Å; L1058-H1062 CarbonylContact O-C 3.41Å; L1058-H1062 WeakPolarHBondContact O-CA 3.27Å; L1058-H1062 WeakPolarHBondContact O-CB 3.17Å; L1058-H1062 PolarHBondContact O-N 2.83Å; H1062-I1064 PolarHBondContact O-N 2.85Å; H1062-I1064 VanDerWaalsContact O-N 3.1Å |
| 1063 | A | 93.5 | Very high | 91.4 | Very high | 48 Ų | 48 | 50.9 Ų | 50.9 | 40% | 0.397 | 23% | 0.234 | S | C | . | . | trans | 47.7 | 40.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1058 L1065 L1066 W1067 | L1058-A1063 PolarHBondContact O-N 3.07Å; A1063-L1065 PolarHBondContact O-N 3.03Å; A1063-L1066 HydrophobicContact CB-CD1 4.23Å; A1063-L1066 WeakPolarHBondContact O-CB 3.28Å; A1063-L1066 PolarHBondContact O-N 3.31Å; A1063-W1067 PolarHBondContact O-N 3.48Å | ||
| 1064 | I | 95.2 | Very high | 91.1 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.6 | -29.7 | -165.9 | -166.4 | 60.4 | 0 | 0 | 0 | 113.6 | L1025 L1045 L1058 I1059 H1062 W1067 L1068 | L1025-I1064 HydrophobicContact CD1-CD1 4.22Å; L1025-I1064 HydrophobicContact CD2-CD1 4.1Å; L1045-I1064 HydrophobicContact CD1-CD1 4.23Å; L1045-I1064 HydrophobicContact CD2-CD1 3.89Å; L1058-I1064 HydrophobicContact CB-CB 4Å; L1058-I1064 HydrophobicContact CB-CG1 4.45Å; L1058-I1064 HydrophobicContact CB-CG2 3.81Å; L1058-I1064 PolarHBondContact O-N 3.31Å; I1059-I1064 HydrophobicContact CG1-CG2 3.84Å; H1062-I1064 PolarHBondContact O-N 2.85Å; H1062-I1064 VanDerWaalsContact O-N 3.1Å; I1064-W1067 HydrophobicContact CD1-CB 4.49Å; I1064-W1067 HydrophobicContact CD1-CD2 4.41Å; I1064-W1067 HydrophobicContact CD1-CE3 4Å; I1064-W1067 PolarHBondContact O-N 3.45Å; I1064-L1068 HydrophobicContact CG1-CD1 4.1Å; I1064-L1068 HydrophobicContact CG1-CG 4.3Å; I1064-L1068 WeakPolarHBondContact O-CB 3.48Å; I1064-L1068 VanDerWaalsContact O-CG 3.26Å; I1064-L1068 WeakPolarHBondContact O-CG 3.43Å; I1064-L1068 PolarHBondContact O-N 3.35Å |
| 1065 | L | 92.1 | Very high | 89.7 | Confident | 19 Ų | 19 | 52.3 Ų | 52.3 | 10% | 0.099 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.4 | -38.9 | 177.5 | -65.5 | 179.5 | 0 | 0 | 0 | 112.7 | I1059 A1063 W1067 L1068 S1069 I1092 I1105 V1109 | I1059-L1065 HydrophobicContact CG1-CD1 4.42Å; I1059-L1065 HydrophobicContact CG1-CG 4.31Å; A1063-L1065 PolarHBondContact O-N 3.03Å; L1065-W1067 VanDerWaalsContact C-N 3.31Å; L1065-L1068 PolarHBondContact O-N 2.9Å; L1065-S1069 VanDerWaalsContact O-CB 3.28Å; L1065-S1069 WeakPolarHBondContact O-CB 3.28Å; L1065-S1069 PolarHBondContact O-N 3Å; L1065-I1092 HydrophobicContact CD2-CD1 4.37Å; L1065-I1092 HydrophobicContact CD2-CG2 4.2Å; L1065-I1105 HydrophobicContact CD1-CD1 3.54Å; L1065-I1105 HydrophobicContact CD1-CG1 3.36Å; L1065-V1109 HydrophobicContact CD1-CG2 4.32Å; L1065-V1109 HydrophobicContact CD2-CG2 3.7Å |
| 1066 | L | 92 | Very high | 88.4 | Confident | 131 Ų | 131 | 54.1 Ų | 54.1 | 69% | 0.686 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -66 | -39.6 | 173.7 | -70.1 | 173.9 | 0 | 0 | 0 | 110.6 | A1063 R1070 | A1063-L1066 HydrophobicContact CB-CD1 4.23Å; A1063-L1066 WeakPolarHBondContact O-CB 3.28Å; A1063-L1066 PolarHBondContact O-N 3.31Å; L1066-R1070 PolarHBondContact O-N 3.3Å; L1066-R1070 VanDerWaalsContact O-N 3.13Å |
| 1067 | W | 94.8 | Very high | 87.2 | Confident | 26 Ų | 26 | 56.2 Ų | 56.2 | 10% | 0.098 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.3 | -45.7 | 175.5 | -173.4 | 96.3 | 0 | 0 | 0 | 111.6 | L1025 Y1028 L1042 L1045 A1063 I1064 L1065 R1070 Y1071 F1085 | L1025-W1067 HydrophobicContact CD2-CD2 3.86Å; L1025-W1067 HydrophobicContact CD2-CE3 4.28Å; L1025-W1067 HydrophobicContact CD2-CG 4.34Å; L1025-W1067 HydrophobicContact CD2-CH2 4.19Å; L1025-W1067 HydrophobicContact CD2-CZ2 3.72Å; L1025-W1067 HydrophobicContact CD2-CZ3 4.44Å; L1025-W1067 PolarHBondContact O-NE1 2.88Å; Y1028-W1067 AromaticContact CD1-CH2 3.89Å; Y1028-W1067 HydrophobicContact CD1-CH2 3.89Å; Y1028-W1067 AromaticContact CD1-CZ2 3.27Å; Y1028-W1067 HydrophobicContact CD1-CZ2 3.27Å; Y1028-W1067 HydrophobicContact CD2-CH2 4.26Å; Y1028-W1067 HydrophobicContact CD2-CZ2 4.08Å; Y1028-W1067 AromaticContact CE1-CH2 3.87Å; Y1028-W1067 HydrophobicContact CE1-CH2 3.87Å; Y1028-W1067 AromaticContact CE1-CZ2 3.71Å; Y1028-W1067 HydrophobicContact CE1-CZ2 3.71Å; Y1028-W1067 HydrophobicContact CE2-CH2 4.22Å; Y1028-W1067 HydrophobicContact CE2-CZ2 4.42Å; Y1028-W1067 HydrophobicContact CG-CH2 4.1Å; Y1028-W1067 AromaticContact CG-CZ2 3.49Å; Y1028-W1067 HydrophobicContact CG-CZ2 3.49Å; Y1028-W1067 VanDerWaalsContact CG-CZ2 3.49Å; L1042-W1067 HydrophobicContact CD2-CH2 4.13Å; L1042-W1067 HydrophobicContact CD2-CZ3 4.41Å; L1045-W1067 HydrophobicContact CD1-CE3 4.48Å; L1045-W1067 HydrophobicContact CD1-CH2 3.97Å; L1045-W1067 HydrophobicContact CD1-CZ3 3.75Å; A1063-W1067 PolarHBondContact O-N 3.48Å; I1064-W1067 HydrophobicContact CD1-CB 4.49Å; I1064-W1067 HydrophobicContact CD1-CD2 4.41Å; I1064-W1067 HydrophobicContact CD1-CE3 4Å; I1064-W1067 PolarHBondContact O-N 3.45Å; L1065-W1067 VanDerWaalsContact C-N 3.31Å; W1067-R1070 PolarHBondContact O-N 3.31Å; W1067-Y1071 AromaticContact CD1-CD2 3.85Å; W1067-Y1071 AromaticContact CD1-CE2 3.55Å; W1067-Y1071 AromaticContact CD2-CD2 3.62Å; W1067-Y1071 HydrophobicContact CD2-CD2 3.62Å; W1067-Y1071 HydrophobicContact CD2-CE2 4.13Å; W1067-Y1071 AromaticContact CE2-CD2 3.41Å; W1067-Y1071 VanDerWaalsContact CE2-CD2 3.41Å; W1067-Y1071 AromaticContact CE2-CE2 3.7Å; W1067-Y1071 HydrophobicContact CE3-CD2 4.23Å; W1067-Y1071 AromaticContact CG-CD2 3.9Å; W1067-Y1071 HydrophobicContact CG-CD2 3.9Å; W1067-Y1071 HydrophobicContact CG-CE2 4.05Å; W1067-Y1071 HydrophobicContact CH2-CD2 4.43Å; W1067-Y1071 AromaticContact CZ2-CD2 3.88Å; W1067-Y1071 HydrophobicContact CZ2-CD2 3.88Å; W1067-Y1071 HydrophobicContact CZ2-CE2 4.37Å; W1067-Y1071 AromaticContact NE1-CD2 3.56Å; W1067-Y1071 AromaticContact NE1-CE2 3.31Å; W1067-Y1071 VanDerWaalsContact NE1-CE2 3.31Å; W1067-Y1071 WeakPolarHBondContact O-CD2 3.45Å; W1067-Y1071 PolarHBondContact O-N 2.99Å; W1067-Y1071 VanDerWaalsContact O-N 3.1Å; W1067-F1085 HydrophobicContact CH2-CE1 4.37Å; W1067-F1085 AromaticContact CZ3-CE1 3.99Å; W1067-F1085 HydrophobicContact CZ3-CE1 3.99Å |
| 1068 | L | 94.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.3 | -44.3 | 176.6 | -74.6 | 168.3 | 0 | 0 | 0 | 111.6 | I1064 L1065 R1070 Y1071 A1072 F1085 I1088 L1089 I1092 | I1064-L1068 HydrophobicContact CG1-CD1 4.1Å; I1064-L1068 HydrophobicContact CG1-CG 4.3Å; I1064-L1068 WeakPolarHBondContact O-CB 3.48Å; I1064-L1068 VanDerWaalsContact O-CG 3.26Å; I1064-L1068 WeakPolarHBondContact O-CG 3.43Å; I1064-L1068 PolarHBondContact O-N 3.35Å; L1065-L1068 PolarHBondContact O-N 2.9Å; L1068-R1070 PolarHBondContact O-N 3.08Å; L1068-Y1071 PolarHBondContact O-N 3.36Å; L1068-A1072 WeakPolarHBondContact O-CA 3.42Å; L1068-A1072 WeakPolarHBondContact O-CB 3.41Å; L1068-A1072 PolarHBondContact O-N 2.9Å; L1068-F1085 HydrophobicContact CD2-CD1 3.8Å; L1068-F1085 HydrophobicContact CD2-CE1 4.09Å; L1068-I1088 HydrophobicContact CD1-CG2 3.88Å; L1068-I1088 HydrophobicContact CD2-CG2 4.05Å; L1068-L1089 HydrophobicContact CD1-CD2 4.07Å; L1068-I1092 HydrophobicContact CD1-CD1 3.55Å |
| 1069 | S | 90.8 | Very high | 85.9 | Confident | 49 Ų | 49 | 66.6 Ų | 66.6 | 34% | 0.343 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -52.7 | -41.4 | 173.8 | 161.1 | 0 | 0 | 0 | 0 | 111.3 | L1065 T1073 | L1065-S1069 VanDerWaalsContact O-CB 3.28Å; L1065-S1069 WeakPolarHBondContact O-CB 3.28Å; L1065-S1069 PolarHBondContact O-N 3Å; S1069-T1073 WeakPolarHBondContact O-CB 3.37Å; S1069-T1073 WeakPolarHBondContact O-CG2 3.47Å; S1069-T1073 PolarHBondContact O-OG1 3.41Å |
| 1070 | R | 90.8 | Very high | 85.3 | Confident | 174 Ų | 174 | 67.9 Ų | 67.9 | 66% | 0.657 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -71.8 | -41.6 | 179.2 | -177.1 | 171.2 | 177.6 | 87.4 | -0.1 | 113.8 | L1066 W1067 L1068 | L1066-R1070 PolarHBondContact O-N 3.3Å; L1066-R1070 VanDerWaalsContact O-N 3.13Å; W1067-R1070 PolarHBondContact O-N 3.31Å; L1068-R1070 PolarHBondContact O-N 3.08Å |
| 1071 | Y | 91.1 | Very high | 85.1 | Confident | 45 Ų | 45 | 59.3 Ų | 59.3 | 18% | 0.176 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -102.2 | -25.9 | -168.9 | -64.4 | -64.4 | 0 | 0 | 0 | 115 | Y1028 S1029 W1067 L1068 | Y1028-Y1071 HydrophobicContact CD1-CD1 4.43Å; Y1028-Y1071 HydrophobicContact CD1-CD2 4.39Å; Y1028-Y1071 HydrophobicContact CD1-CG 4.32Å; Y1028-Y1071 HydrophobicContact CE1-CD1 4.08Å; Y1028-Y1071 HydrophobicContact CE1-CD2 4.39Å; Y1028-Y1071 AromaticContact CE1-CG 3.93Å; Y1028-Y1071 HydrophobicContact CE1-CG 3.93Å; S1029-Y1071 WeakPolarHBondContact CA-OH 3.41Å; S1029-Y1071 WeakPolarHBondContact CB-OH 3.4Å; S1029-Y1071 PolarHBondContact OG-OH 3.46Å; W1067-Y1071 AromaticContact CD1-CD2 3.85Å; W1067-Y1071 AromaticContact CD1-CE2 3.55Å; W1067-Y1071 AromaticContact CD2-CD2 3.62Å; W1067-Y1071 HydrophobicContact CD2-CD2 3.62Å; W1067-Y1071 HydrophobicContact CD2-CE2 4.13Å; W1067-Y1071 AromaticContact CE2-CD2 3.41Å; W1067-Y1071 VanDerWaalsContact CE2-CD2 3.41Å; W1067-Y1071 AromaticContact CE2-CE2 3.7Å; W1067-Y1071 HydrophobicContact CE3-CD2 4.23Å; W1067-Y1071 AromaticContact CG-CD2 3.9Å; W1067-Y1071 HydrophobicContact CG-CD2 3.9Å; W1067-Y1071 HydrophobicContact CG-CE2 4.05Å; W1067-Y1071 HydrophobicContact CH2-CD2 4.43Å; W1067-Y1071 AromaticContact CZ2-CD2 3.88Å; W1067-Y1071 HydrophobicContact CZ2-CD2 3.88Å; W1067-Y1071 HydrophobicContact CZ2-CE2 4.37Å; W1067-Y1071 AromaticContact NE1-CD2 3.56Å; W1067-Y1071 AromaticContact NE1-CE2 3.31Å; W1067-Y1071 VanDerWaalsContact NE1-CE2 3.31Å; W1067-Y1071 WeakPolarHBondContact O-CD2 3.45Å; W1067-Y1071 PolarHBondContact O-N 2.99Å; W1067-Y1071 VanDerWaalsContact O-N 3.1Å; L1068-Y1071 PolarHBondContact O-N 3.36Å |
| 1072 | A | 87.6 | Confident | 84.8 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 2% | 0.017 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -80.9 | -24.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1068 F1085 I1112 C1116 | L1068-A1072 WeakPolarHBondContact O-CA 3.42Å; L1068-A1072 WeakPolarHBondContact O-CB 3.41Å; L1068-A1072 PolarHBondContact O-N 2.9Å; A1072-F1085 HydrophobicContact CB-CB 4.1Å; A1072-F1085 HydrophobicContact CB-CD1 3.75Å; A1072-F1085 HydrophobicContact CB-CD2 4.33Å; A1072-F1085 HydrophobicContact CB-CE1 4.16Å; A1072-F1085 HydrophobicContact CB-CG 3.84Å; A1072-I1112 HydrophobicContact CB-CG2 4.35Å; A1072-C1116 HydrophobicContact CB-CB 4.48Å; A1072-C1116 PolarHBondContact O-SG 3.29Å |
| 1073 | T | 84 | Confident | 84.5 | Confident | 24 Ų | 24 | 61.7 Ų | 61.7 | 15% | 0.147 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -97.3 | -13.2 | -179.3 | 71.9 | 0 | 0 | 0 | 0 | 113.2 | S1069 I1112 E1115 K1120 | S1069-T1073 WeakPolarHBondContact O-CB 3.37Å; S1069-T1073 WeakPolarHBondContact O-CG2 3.47Å; S1069-T1073 PolarHBondContact O-OG1 3.41Å; T1073-I1112 HydrophobicContact CG2-CG2 4.22Å; T1073-E1115 WeakPolarHBondContact CB-OE2 3.4Å; T1073-E1115 HydrophobicContact CG2-CB 3.92Å; T1073-E1115 WeakPolarHBondContact CG2-OE2 3.41Å; T1073-K1120 PolarHBondContact O-NZ 3.04Å |
| 1074 | A | 79.6 | Confident | 84.4 | Confident | 49 Ų | 49 | 60.7 Ų | 60.7 | 41% | 0.405 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -60.8 | 156.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | V1076 | A1074-V1076 VanDerWaalsContact C-N 3.33Å; A1074-V1076 WeakPolarHBondContact O-CG2 3.29Å; A1074-V1076 PolarHBondContact O-N 3.1Å |
| 1075 | S | 62.4 | Low | 84.4 | Confident | 106 Ų | 106 | 60.6 Ų | 60.6 | 74% | 0.741 | 31% | 0.314 | S | S | * | . | trans | -63.1 | 93.5 | 175 | 54.4 | 0 | 0 | 0 | 0 | 110 | S1077 | S1075-S1077 PolarHBondContact O-N 3.09Š| ||
| 1076 | V | 66.3 | Low | 84.4 | Confident | 39 Ų | 39 | 61.7 Ų | 61.7 | 24% | 0.236 | 32% | 0.32 | C | S | . | . | trans | -80 | 115.8 | 177.9 | -178.7 | 0 | 0 | 0 | 0 | 108.2 | A1074 F1078 Q1081 R1082 F1085 | A1074-V1076 VanDerWaalsContact C-N 3.33Å; A1074-V1076 WeakPolarHBondContact O-CG2 3.29Å; A1074-V1076 PolarHBondContact O-N 3.1Å; V1076-F1078 WeakPolarHBondContact CG1-O 3.44Å; V1076-Q1081 HydrophobicContact CG1-CB 3.7Å; V1076-Q1081 HydrophobicContact CG1-CG 3.9Å; V1076-R1082 HydrophobicContact CG1-CB 4.44Å; V1076-F1085 HydrophobicContact CG2-CD2 4.3Å; V1076-F1085 HydrophobicContact CG2-CE2 4.03Å | ||
| 1077 | S | 63.8 | Low | 84.4 | Confident | 106 Ų | 106 | 57.5 Ų | 57.5 | 74% | 0.741 | 30% | 0.301 | S | S | * | . | trans | -76.8 | -17.2 | -176.3 | 25.7 | 0 | 0 | 0 | 0 | 114.6 | S1075 | S1075-S1077 PolarHBondContact O-N 3.09Š| ||
| 1078 | F | 76.7 | Confident | 84.4 | Confident | 101 Ų | 101 | 56.2 Ų | 56.2 | 44% | 0.443 | 30% | 0.296 | S | S | . | . | trans | -117.6 | 124 | -175.9 | -62.9 | -82.4 | 0 | 0 | 0 | 111.8 | L1035 F1039 V1076 E1080 Q1081 R1082 | L1035-F1078 HydrophobicContact CD1-CD2 3.84Å; L1035-F1078 HydrophobicContact CD1-CE2 3.91Å; L1035-F1078 HydrophobicContact CD2-CD1 4.5Å; L1035-F1078 HydrophobicContact CD2-CD2 3.96Å; L1035-F1078 HydrophobicContact CD2-CE1 4.12Å; L1035-F1078 HydrophobicContact CD2-CE2 3.53Å; L1035-F1078 HydrophobicContact CD2-CG 4.42Å; L1035-F1078 HydrophobicContact CD2-CZ 3.62Å; L1035-F1078 HydrophobicContact CG-CE2 4.38Å; F1039-F1078 HydrophobicContact CZ-CB 4.45Å; V1076-F1078 WeakPolarHBondContact CG1-O 3.44Å; F1078-E1080 VanDerWaalsContact C-N 3.31Å; F1078-E1080 PolarHBondContact O-N 3.37Å; F1078-Q1081 HydrophobicContact CB-CB 4.16Å; F1078-Q1081 WeakPolarHBondContact O-CB 3.33Å; F1078-Q1081 PolarHBondContact O-N 2.83Å; F1078-Q1081 VanDerWaalsContact O-N 3.09Å; F1078-R1082 PolarHBondContact O-N 2.95Å | ||
| 1079 | E | 80.6 | Confident | 84.4 | Confident | 123 Ų | 123 | 56.2 Ų | 56.2 | 58% | 0.575 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -62.3 | -35.6 | -178.4 | -162.8 | -170.7 | 141.2 | 0 | 0 | 112.9 | Q1081 R1082 K1083 | E1079-Q1081 VanDerWaalsContact C-N 3.27Å; E1079-Q1081 PolarHBondContact O-N 3.01Å; E1079-R1082 WeakPolarHBondContact O-CB 3.46Å; E1079-R1082 PolarHBondContact O-N 3.26Å; E1079-K1083 WeakPolarHBondContact O-CG 3.43Å; E1079-K1083 PolarHBondContact O-N 3.31Å; E1079-K1083 WeakPolarHBondContact OE1-CE 3.34Å; E1079-K1083 IonicContact OE1-NZ 3.2Å; E1079-K1083 PolarHBondContact OE1-NZ 3.32Å |
| 1080 | E | 80 | Confident | 84.5 | Confident | 65 Ų | 65 | 59.3 Ų | 59.3 | 30% | 0.304 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.5 | -39.5 | 175.3 | -167.9 | -170.2 | 164.1 | 0 | 0 | 111.3 | F1039 R1043 F1078 R1082 K1083 L1084 | F1039-E1080 HydrophobicContact CE1-CB 3.86Å; F1039-E1080 HydrophobicContact CE1-CG 3.82Å; F1039-E1080 HydrophobicContact CZ-CB 4.09Å; F1039-E1080 HydrophobicContact CZ-CG 4.41Å; R1043-E1080 IonicContact NH2-OE1 3.83Å; R1043-E1080 PolarHBondContact NH2-OE1 3.11Å; F1078-E1080 VanDerWaalsContact C-N 3.31Å; F1078-E1080 PolarHBondContact O-N 3.37Å; E1080-R1082 VanDerWaalsContact C-N 3.33Å; E1080-R1082 PolarHBondContact O-N 3.31Å; E1080-K1083 PolarHBondContact O-N 2.89Å; E1080-L1084 WeakPolarHBondContact O-CG 3.33Å; E1080-L1084 PolarHBondContact O-N 3Å |
| 1081 | Q | 84.8 | Confident | 84.6 | Confident | 19 Ų | 19 | 52.7 Ų | 52.7 | 9% | 0.089 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.2 | -40.7 | 178 | -167.8 | -176.1 | -14.9 | 0 | 0 | 110.7 | Y1028 F1039 L1042 V1076 F1078 E1079 L1084 F1085 | Y1028-Q1081 PolarHBondContact OH-NE2 2.97Å; F1039-Q1081 HydrophobicContact CE1-CB 3.97Å; F1039-Q1081 HydrophobicContact CZ-CB 4.15Å; L1042-Q1081 HydrophobicContact CD1-CB 4.45Å; L1042-Q1081 HydrophobicContact CD1-CG 3.41Å; L1042-Q1081 VanDerWaalsContact CD1-CG 3.41Å; V1076-Q1081 HydrophobicContact CG1-CB 3.7Å; V1076-Q1081 HydrophobicContact CG1-CG 3.9Å; F1078-Q1081 HydrophobicContact CB-CB 4.16Å; F1078-Q1081 WeakPolarHBondContact O-CB 3.33Å; F1078-Q1081 PolarHBondContact O-N 2.83Å; F1078-Q1081 VanDerWaalsContact O-N 3.09Å; E1079-Q1081 VanDerWaalsContact C-N 3.27Å; E1079-Q1081 PolarHBondContact O-N 3.01Å; Q1081-L1084 PolarHBondContact O-N 3.07Å; Q1081-F1085 HydrophobicContact CG-CD2 4.25Å; Q1081-F1085 HydrophobicContact CG-CE2 3.84Å; Q1081-F1085 WeakPolarHBondContact O-CD2 3.27Å; Q1081-F1085 PolarHBondContact O-N 3.07Å |
| 1082 | R | 86.6 | Confident | 84.7 | Confident | 51 Ų | 51 | 50.6 Ų | 50.6 | 19% | 0.192 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 174 | -174.5 | 179.5 | 175.1 | -151.4 | 2 | 112.1 | V1076 F1078 E1079 E1080 L1084 F1085 L1086 C1116 S1117 E1119 | V1076-R1082 HydrophobicContact CG1-CB 4.44Å; F1078-R1082 PolarHBondContact O-N 2.95Å; E1079-R1082 WeakPolarHBondContact O-CB 3.46Å; E1079-R1082 PolarHBondContact O-N 3.26Å; E1080-R1082 VanDerWaalsContact C-N 3.33Å; E1080-R1082 PolarHBondContact O-N 3.31Å; R1082-L1084 VanDerWaalsContact C-N 3.31Å; R1082-L1084 PolarHBondContact O-N 3.19Å; R1082-F1085 WeakPolarHBondContact O-CB 3.38Å; R1082-F1085 PolarHBondContact O-N 2.94Å; R1082-F1085 VanDerWaalsContact O-N 3.16Å; R1082-L1086 HydrophobicContact CG-CD1 4.34Å; R1082-L1086 WeakPolarHBondContact O-CG 3.32Å; R1082-L1086 PolarHBondContact O-N 3.28Å; R1082-C1116 PolarHBondContact NE-O 3.26Å; R1082-C1116 PolarHBondContact NH2-O 3.44Å; R1082-S1117 VanDerWaalsContact NH2-CA 3.28Å; R1082-S1117 PolarHBondContact NH2-O 3.22Å; R1082-E1119 IonicContact NH1-OE1 3.45Å; R1082-E1119 PolarHBondContact NH1-OE1 3.16Å |
| 1083 | K | 88 | Confident | 84.9 | Confident | 118 Ų | 118 | 53.1 Ų | 53.1 | 51% | 0.513 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.4 | -41.9 | 174.9 | -74.7 | 174.7 | -178.8 | 162.7 | 0 | 112.1 | E1079 E1080 L1086 C1087 | E1079-K1083 WeakPolarHBondContact O-CG 3.43Å; E1079-K1083 PolarHBondContact O-N 3.31Å; E1079-K1083 WeakPolarHBondContact OE1-CE 3.34Å; E1079-K1083 IonicContact OE1-NZ 3.2Å; E1079-K1083 PolarHBondContact OE1-NZ 3.32Å; E1080-K1083 PolarHBondContact O-N 2.89Å; K1083-L1086 PolarHBondContact O-N 3.08Å; K1083-C1087 WeakPolarHBondContact O-CB 3.48Å; K1083-C1087 PolarHBondContact O-N 2.86Å |
| 1084 | L | 92 | Very high | 85.1 | Confident | 26 Ų | 26 | 58.8 Ų | 58.8 | 14% | 0.136 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.9 | -42.6 | 175.4 | -67.9 | 170.6 | 0 | 0 | 0 | 111.8 | F1039 L1042 R1043 V1046 E1080 Q1081 R1082 C1087 I1088 | F1039-L1084 HydrophobicContact CD1-CD1 3.61Å; F1039-L1084 HydrophobicContact CE1-CD1 4.06Å; L1042-L1084 HydrophobicContact CB-CB 4.06Å; L1042-L1084 HydrophobicContact CB-CD1 3.9Å; L1042-L1084 HydrophobicContact CD1-CB 4.26Å; L1042-L1084 HydrophobicContact CD1-CD1 4.31Å; R1043-L1084 HydrophobicContact CG-CD1 4.27Å; R1043-L1084 HydrophobicContact CG-CD2 4.26Å; V1046-L1084 HydrophobicContact CG2-CD2 3.93Å; E1080-L1084 WeakPolarHBondContact O-CG 3.33Å; E1080-L1084 PolarHBondContact O-N 3Å; Q1081-L1084 PolarHBondContact O-N 3.07Å; R1082-L1084 VanDerWaalsContact C-N 3.31Å; R1082-L1084 PolarHBondContact O-N 3.19Å; L1084-C1087 PolarHBondContact O-N 3.35Å; L1084-I1088 WeakPolarHBondContact O-CD1 3.49Å; L1084-I1088 WeakPolarHBondContact O-CG1 3.33Å; L1084-I1088 PolarHBondContact O-N 3.41Å |
| 1085 | F | 94 | Very high | 85.5 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.8 | -46.1 | 173.9 | -77.4 | -59.6 | 0 | 0 | 0 | 112.5 | Y1028 L1042 W1067 L1068 A1072 V1076 Q1081 R1082 C1087 I1088 L1089 | Y1028-F1085 WeakPolarHBondContact OH-CZ 3.34Å; L1042-F1085 HydrophobicContact CD1-CE2 4.21Å; L1042-F1085 HydrophobicContact CD1-CZ 4.23Å; L1042-F1085 HydrophobicContact CD2-CD1 3.89Å; L1042-F1085 HydrophobicContact CD2-CE1 3.44Å; L1042-F1085 VanDerWaalsContact CD2-CE1 3.44Å; L1042-F1085 HydrophobicContact CD2-CZ 3.8Å; W1067-F1085 HydrophobicContact CH2-CE1 4.37Å; W1067-F1085 AromaticContact CZ3-CE1 3.99Å; W1067-F1085 HydrophobicContact CZ3-CE1 3.99Å; L1068-F1085 HydrophobicContact CD2-CD1 3.8Å; L1068-F1085 HydrophobicContact CD2-CE1 4.09Å; A1072-F1085 HydrophobicContact CB-CB 4.1Å; A1072-F1085 HydrophobicContact CB-CD1 3.75Å; A1072-F1085 HydrophobicContact CB-CD2 4.33Å; A1072-F1085 HydrophobicContact CB-CE1 4.16Å; A1072-F1085 HydrophobicContact CB-CG 3.84Å; V1076-F1085 HydrophobicContact CG2-CD2 4.3Å; V1076-F1085 HydrophobicContact CG2-CE2 4.03Å; Q1081-F1085 HydrophobicContact CG-CD2 4.25Å; Q1081-F1085 HydrophobicContact CG-CE2 3.84Å; Q1081-F1085 WeakPolarHBondContact O-CD2 3.27Å; Q1081-F1085 PolarHBondContact O-N 3.07Å; R1082-F1085 WeakPolarHBondContact O-CB 3.38Å; R1082-F1085 PolarHBondContact O-N 2.94Å; R1082-F1085 VanDerWaalsContact O-N 3.16Å; F1085-C1087 VanDerWaalsContact C-N 3.34Å; F1085-C1087 PolarHBondContact O-N 3.13Å; F1085-I1088 WeakPolarHBondContact O-CB 3.31Å; F1085-I1088 PolarHBondContact O-N 2.84Å; F1085-L1089 WeakPolarHBondContact O-CG 3.5Å; F1085-L1089 PolarHBondContact O-N 2.93Å |
| 1086 | L | 92 | Very high | 86.6 | Confident | 41 Ų | 41 | 51.9 Ų | 51.9 | 22% | 0.215 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.8 | -42 | 177.5 | -70.2 | 173.2 | 0 | 0 | 0 | 111.7 | R1082 K1083 I1088 L1089 E1090 K1113 C1116 | R1082-L1086 HydrophobicContact CG-CD1 4.34Å; R1082-L1086 WeakPolarHBondContact O-CG 3.32Å; R1082-L1086 PolarHBondContact O-N 3.28Å; K1083-L1086 PolarHBondContact O-N 3.08Å; L1086-I1088 PolarHBondContact O-N 3.43Å; L1086-L1089 PolarHBondContact O-N 3.46Å; L1086-E1090 WeakPolarHBondContact O-CB 3.37Å; L1086-E1090 PolarHBondContact O-N 3.34Å; L1086-K1113 HydrophobicContact CD2-CG 4.04Å; L1086-C1116 HydrophobicContact CD2-CB 4.2Å |
| 1087 | C | 92.9 | Very high | 87.4 | Confident | 43 Ų | 43 | 52.3 Ų | 52.3 | 29% | 0.291 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 175 | -177.1 | 0 | 0 | 0 | 0 | 112 | V1046 K1083 L1084 F1085 E1090 N1091 | V1046-C1087 HydrophobicContact CG2-CB 4.37Å; K1083-C1087 WeakPolarHBondContact O-CB 3.48Å; K1083-C1087 PolarHBondContact O-N 2.86Å; L1084-C1087 PolarHBondContact O-N 3.35Å; F1085-C1087 VanDerWaalsContact C-N 3.34Å; F1085-C1087 PolarHBondContact O-N 3.13Å; C1087-E1090 PolarHBondContact O-N 2.93Å; C1087-N1091 WeakPolarHBondContact O-CB 3.23Å; C1087-N1091 PolarHBondContact O-N 3.26Å; C1087-N1091 PolarHBondContact O-ND2 3.48Å |
| 1088 | I | 94.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.3 | -48.1 | 174.6 | -67.7 | 162.6 | 0 | 0 | 0 | 110.3 | L1042 L1045 V1046 T1049 L1068 L1084 F1085 L1086 E1090 N1091 I1092 | L1042-I1088 HydrophobicContact CD2-CD1 4.03Å; L1045-I1088 HydrophobicContact CB-CD1 3.64Å; L1045-I1088 HydrophobicContact CB-CG1 4.1Å; L1045-I1088 HydrophobicContact CD1-CD1 4.28Å; V1046-I1088 HydrophobicContact CB-CG1 4.48Å; V1046-I1088 HydrophobicContact CG2-CD1 4.18Å; V1046-I1088 HydrophobicContact CG2-CG1 3.6Å; T1049-I1088 HydrophobicContact CG2-CG2 3.96Å; L1068-I1088 HydrophobicContact CD1-CG2 3.88Å; L1068-I1088 HydrophobicContact CD2-CG2 4.05Å; L1084-I1088 WeakPolarHBondContact O-CD1 3.49Å; L1084-I1088 WeakPolarHBondContact O-CG1 3.33Å; L1084-I1088 PolarHBondContact O-N 3.41Å; F1085-I1088 WeakPolarHBondContact O-CB 3.31Å; F1085-I1088 PolarHBondContact O-N 2.84Å; L1086-I1088 PolarHBondContact O-N 3.43Å; I1088-E1090 PolarHBondContact O-N 3.19Å; I1088-N1091 PolarHBondContact O-N 3.06Å; I1088-I1092 HydrophobicContact CG2-CD1 3.86Å; I1088-I1092 VanDerWaalsContact O-CG1 3.24Å; I1088-I1092 WeakPolarHBondContact O-CG1 3.49Å; I1088-I1092 PolarHBondContact O-N 2.62Å |
| 1089 | L | 94.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.2 | -39.7 | -179.7 | -71.1 | 165.5 | 0 | 0 | 0 | 112.1 | L1068 F1085 L1086 I1092 H1093 V1109 I1112 K1113 C1116 | L1068-L1089 HydrophobicContact CD1-CD2 4.07Å; F1085-L1089 WeakPolarHBondContact O-CG 3.5Å; F1085-L1089 PolarHBondContact O-N 2.93Å; L1086-L1089 PolarHBondContact O-N 3.46Å; L1089-I1092 PolarHBondContact O-N 3.22Å; L1089-H1093 WeakPolarHBondContact O-CB 3.27Å; L1089-H1093 PolarHBondContact O-N 3.46Å; L1089-V1109 HydrophobicContact CD2-CG1 4.47Å; L1089-I1112 HydrophobicContact CD1-CG2 3.9Å; L1089-I1112 HydrophobicContact CD2-CB 4.23Å; L1089-I1112 HydrophobicContact CD2-CG2 3.8Å; L1089-K1113 HydrophobicContact CD1-CB 4.31Å; L1089-C1116 HydrophobicContact CD1-CB 4.37Å |
| 1090 | E | 92.9 | Very high | 86.2 | Confident | 114 Ų | 114 | 52.6 Ų | 52.6 | 53% | 0.533 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.3 | -42.9 | 176.7 | -175.1 | 167.7 | -160.8 | 0 | 0 | 112.2 | L1086 C1087 I1088 I1092 H1093 K1094 | L1086-E1090 WeakPolarHBondContact O-CB 3.37Å; L1086-E1090 PolarHBondContact O-N 3.34Å; C1087-E1090 PolarHBondContact O-N 2.93Å; I1088-E1090 PolarHBondContact O-N 3.19Å; E1090-I1092 VanDerWaalsContact C-N 3.32Å; E1090-I1092 PolarHBondContact O-N 3.11Å; E1090-H1093 PolarHBondContact O-N 3.29Å; E1090-K1094 WeakPolarHBondContact O-CB 3.31Å; E1090-K1094 PolarHBondContact O-N 3.35Å |
| 1091 | N | 93.1 | Very high | 85.2 | Confident | 35 Ų | 35 | 55 Ų | 55 | 19% | 0.187 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 173.3 | -73.4 | -19.5 | 0 | 0 | 0 | 111.8 | T1049 C1087 I1088 A1095 | T1049-N1091 PolarHBondContact OG1-ND2 3.44Å; C1087-N1091 WeakPolarHBondContact O-CB 3.23Å; C1087-N1091 PolarHBondContact O-N 3.26Å; C1087-N1091 PolarHBondContact O-ND2 3.48Å; I1088-N1091 PolarHBondContact O-N 3.06Å; N1091-A1095 WeakPolarHBondContact O-CB 3.32Å; N1091-A1095 PolarHBondContact O-N 3.02Å |
| 1092 | I | 93.1 | Very high | 84.1 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.5 | -46.3 | 176.3 | -68.7 | 169.3 | 0 | 0 | 0 | 110.7 | T1049 V1055 L1065 L1068 I1088 L1089 E1090 K1094 A1095 L1096 V1109 | T1049-I1092 HydrophobicContact CG2-CD1 4.15Å; T1049-I1092 HydrophobicContact CG2-CG1 3.8Å; V1055-I1092 HydrophobicContact CG1-CB 4.28Å; V1055-I1092 HydrophobicContact CG1-CG1 3.99Å; V1055-I1092 HydrophobicContact CG1-CG2 4.06Å; V1055-I1092 HydrophobicContact CG2-CG1 4.35Å; L1065-I1092 HydrophobicContact CD2-CD1 4.37Å; L1065-I1092 HydrophobicContact CD2-CG2 4.2Å; L1068-I1092 HydrophobicContact CD1-CD1 3.55Å; I1088-I1092 HydrophobicContact CG2-CD1 3.86Å; I1088-I1092 VanDerWaalsContact O-CG1 3.24Å; I1088-I1092 WeakPolarHBondContact O-CG1 3.49Å; I1088-I1092 PolarHBondContact O-N 2.62Å; L1089-I1092 PolarHBondContact O-N 3.22Å; E1090-I1092 VanDerWaalsContact C-N 3.32Å; E1090-I1092 PolarHBondContact O-N 3.11Å; I1092-K1094 PolarHBondContact O-N 3.49Å; I1092-A1095 PolarHBondContact O-N 3.48Å; I1092-L1096 HydrophobicContact CG2-CD1 3.66Å; I1092-L1096 HydrophobicContact CG2-CG 4.35Å; I1092-L1096 VanDerWaalsContact O-CG 3.29Å; I1092-L1096 WeakPolarHBondContact O-CG 3.27Å; I1092-L1096 PolarHBondContact O-N 3.3Å; I1092-V1109 HydrophobicContact CG2-CG1 4.47Å; I1092-V1109 HydrophobicContact CG2-CG2 3.9Å |
| 1093 | H | 91.3 | Very high | 83.4 | Confident | 55 Ų | 55 | 61.6 Ų | 61.6 | 26% | 0.255 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56.2 | -52 | 176.7 | -177.3 | 122.4 | 0 | 0 | 0 | 110.4 | L1089 E1090 A1095 L1096 A1097 L1106 V1109 N1110 | L1089-H1093 WeakPolarHBondContact O-CB 3.27Å; L1089-H1093 PolarHBondContact O-N 3.46Å; E1090-H1093 PolarHBondContact O-N 3.29Å; H1093-A1095 VanDerWaalsContact C-N 3.32Å; H1093-A1095 PolarHBondContact O-N 3.46Å; H1093-L1096 PolarHBondContact O-N 2.83Å; H1093-L1096 VanDerWaalsContact O-N 3.16Å; H1093-A1097 WeakPolarHBondContact O-CB 3.39Å; H1093-A1097 PolarHBondContact O-N 3.14Å; H1093-L1106 HydrophobicContact CB-CD1 4.45Å; H1093-V1109 HydrophobicContact CB-CG1 4.05Å; H1093-N1110 PolarHBondContact CE1-OD1 2.98Å; H1093-N1110 PolarHBondContact ND1-OD1 3.15Å |
| 1094 | K | 88.6 | Confident | 83 | Confident | 142 Ų | 142 | 60.7 Ų | 60.7 | 62% | 0.617 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -57.8 | -44.7 | 179.7 | -174.2 | 177.1 | 179 | 178 | 0 | 111.8 | E1090 I1092 L1096 A1097 E1098 | E1090-K1094 WeakPolarHBondContact O-CB 3.31Å; E1090-K1094 PolarHBondContact O-N 3.35Å; I1092-K1094 PolarHBondContact O-N 3.49Å; K1094-L1096 VanDerWaalsContact C-N 3.31Å; K1094-L1096 PolarHBondContact O-N 3.33Å; K1094-A1097 PolarHBondContact O-N 3.32Å; K1094-E1098 PolarHBondContact O-N 3.19Å |
| 1095 | A | 87.1 | Confident | 82.6 | Confident | 5 Ų | 5 | 61.6 Ų | 61.6 | 4% | 0.041 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.4 | -32.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | V1055 N1091 I1092 H1093 | V1055-A1095 HydrophobicContact CB-CB 4.07Å; V1055-A1095 HydrophobicContact CG1-CB 4.11Å; V1055-A1095 HydrophobicContact CG2-CB 3.93Å; N1091-A1095 WeakPolarHBondContact O-CB 3.32Å; N1091-A1095 PolarHBondContact O-N 3.02Å; I1092-A1095 PolarHBondContact O-N 3.48Å; H1093-A1095 VanDerWaalsContact C-N 3.32Å; H1093-A1095 PolarHBondContact O-N 3.46Å |
| 1096 | L | 85.8 | Confident | 82.2 | Confident | 6 Ų | 6 | 62.8 Ų | 62.8 | 3% | 0.031 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -82.2 | -37 | 178.8 | -67.4 | 169.7 | 0 | 0 | 0 | 112.2 | I1059 I1092 H1093 K1094 E1098 K1099 I1105 L1106 V1109 | I1059-L1096 HydrophobicContact CD1-CD1 4.37Å; I1059-L1096 HydrophobicContact CD1-CD2 4.09Å; I1092-L1096 HydrophobicContact CG2-CD1 3.66Å; I1092-L1096 HydrophobicContact CG2-CG 4.35Å; I1092-L1096 VanDerWaalsContact O-CG 3.29Å; I1092-L1096 WeakPolarHBondContact O-CG 3.27Å; I1092-L1096 PolarHBondContact O-N 3.3Å; H1093-L1096 PolarHBondContact O-N 2.83Å; H1093-L1096 VanDerWaalsContact O-N 3.16Å; K1094-L1096 VanDerWaalsContact C-N 3.31Å; K1094-L1096 PolarHBondContact O-N 3.33Å; L1096-E1098 PolarHBondContact O-N 3.07Å; L1096-K1099 PolarHBondContact O-N 3.4Å; L1096-I1105 HydrophobicContact CD1-CG2 4.11Å; L1096-I1105 HydrophobicContact CD2-CG2 4.41Å; L1096-L1106 HydrophobicContact CB-CD1 4.19Å; L1096-V1109 HydrophobicContact CD1-CG2 4.1Å |
| 1097 | A | 83.2 | Confident | 81.9 | Confident | 47 Ų | 47 | 65.9 Ų | 65.9 | 39% | 0.388 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.2 | -27.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | H1093 K1094 K1099 | H1093-A1097 WeakPolarHBondContact O-CB 3.39Å; H1093-A1097 PolarHBondContact O-N 3.14Å; K1094-A1097 PolarHBondContact O-N 3.32Å; A1097-K1099 PolarHBondContact O-N 2.87Å |
| 1098 | E | 74.4 | Confident | 81.6 | Confident | 130 Ų | 130 | 68.1 Ų | 68.1 | 61% | 0.607 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -18.8 | 179.4 | -78.2 | 175.3 | 179.4 | 0 | 0 | 114.7 | K1094 L1096 | K1094-E1098 PolarHBondContact O-N 3.19Å; L1096-E1098 PolarHBondContact O-N 3.07Å |
| 1099 | K | 65.1 | Low | 81.4 | Confident | 134 Ų | 134 | 68.1 Ų | 68.1 | 58% | 0.583 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.5 | -13.4 | -168 | -78.3 | -175.3 | 179.2 | 165.3 | 0 | 117.6 | H1056 L1096 A1097 | H1056-K1099 PolarHBondContact NE2-NZ 2.96Å; H1056-K1099 VanDerWaalsContact NE2-NZ 3.15Å; L1096-K1099 PolarHBondContact O-N 3.4Å; A1097-K1099 PolarHBondContact O-N 2.87Å |
| 1100 | S | 57.7 | Low | 81.2 | Confident | 72 Ų | 72 | 70.5 Ų | 70.5 | 50% | 0.503 | 38% | 0.378 | S | S | . | . | trans | 159.7 | 149 | 170.2 | 35.9 | 0 | 0 | 0 | 0 | 110.5 | N1102 | S1100-N1102 VanDerWaalsContact C-N 3.35Å; S1100-N1102 PolarHBondContact O-N 3.05Å | ||
| 1101 | S | 57.3 | Low | 81 | Confident | 116 Ų | 116 | 69.8 Ų | 69.8 | 81% | 0.811 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -72.7 | -11.2 | -167.3 | 52.3 | 0 | 0 | 0 | 0 | 116.8 | ||
| 1102 | N | 62.3 | Low | 80.8 | Confident | 152 Ų | 152 | 68.3 Ų | 68.3 | 81% | 0.813 | 37% | 0.37 | S | S | * | . | trans | -125.4 | 78.1 | -171 | -121.7 | 9.9 | 0 | 0 | 0 | 112 | S1100 | S1100-N1102 VanDerWaalsContact C-N 3.35Å; S1100-N1102 PolarHBondContact O-N 3.05Å | ||
| 1103 | Q | 71.9 | Confident | 80.6 | Confident | 56 Ų | 56 | 71.4 Ų | 71.4 | 26% | 0.262 | 38% | 0.383 | S | S | . | . | trans | -122.7 | 121.7 | 172.9 | -57 | -171 | 4.2 | 0 | 0 | 110.1 | I1105 L1106 | Q1103-I1105 HydrophobicContact CB-CG2 3.84Å; Q1103-I1105 PolarHBondContact O-N 3.28Å; Q1103-L1106 VanDerWaalsContact O-CB 3.28Å; Q1103-L1106 WeakPolarHBondContact O-CB 3.38Å; Q1103-L1106 PolarHBondContact O-N 2.97Å | ||
| 1104 | P | 79 | Confident | 80.4 | Confident | 100 Ų | 100 | 75.2 Ų | 75.2 | 65% | 0.649 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -55.9 | -25.4 | 179 | -25.9 | 32.9 | 0 | 0 | 0 | 114.1 | L1106 D1107 I1108 | P1104-L1106 PolarHBondContact O-N 2.81Å; P1104-D1107 PolarHBondContact O-N 3.4Å; P1104-I1108 PolarHBondContact O-N 3.28Å |
| 1105 | I | 83.5 | Confident | 80.2 | Confident | 45 Ų | 45 | 73 Ų | 73 | 23% | 0.231 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.6 | -28.1 | 176.4 | -161.4 | 166.6 | 0 | 0 | 0 | 112.4 | I1059 L1065 L1096 Q1103 I1108 V1109 | I1059-I1105 HydrophobicContact CD1-CD1 4.3Å; I1059-I1105 HydrophobicContact CG2-CD1 3.96Å; L1065-I1105 HydrophobicContact CD1-CD1 3.54Å; L1065-I1105 HydrophobicContact CD1-CG1 3.36Å; L1096-I1105 HydrophobicContact CD1-CG2 4.11Å; L1096-I1105 HydrophobicContact CD2-CG2 4.41Å; Q1103-I1105 HydrophobicContact CB-CG2 3.84Å; Q1103-I1105 PolarHBondContact O-N 3.28Å; I1105-I1108 PolarHBondContact O-N 3.12Å; I1105-V1109 VanDerWaalsContact O-CG2 3.31Å; I1105-V1109 WeakPolarHBondContact O-CG2 3.49Å; I1105-V1109 PolarHBondContact O-N 3.45Å; I1105-V1109 VanDerWaalsContact O-N 3.07Å |
| 1106 | L | 85.6 | Confident | 80 | Confident | 25 Ų | 25 | 73 Ų | 73 | 13% | 0.131 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -70.2 | -38.2 | 177.2 | -165.6 | 68.3 | 0 | 0 | 0 | 110.6 | H1093 L1096 Q1103 P1104 I1108 V1109 N1110 | H1093-L1106 HydrophobicContact CB-CD1 4.45Å; L1096-L1106 HydrophobicContact CB-CD1 4.19Å; Q1103-L1106 VanDerWaalsContact O-CB 3.28Å; Q1103-L1106 WeakPolarHBondContact O-CB 3.38Å; Q1103-L1106 PolarHBondContact O-N 2.97Å; P1104-L1106 PolarHBondContact O-N 2.81Å; L1106-I1108 VanDerWaalsContact C-N 3.33Å; L1106-I1108 PolarHBondContact O-N 3.17Å; L1106-V1109 PolarHBondContact O-N 3.16Å; L1106-N1110 VanDerWaalsContact O-CG 3.27Å; L1106-N1110 PolarHBondContact O-N 3.3Å; L1106-N1110 PolarHBondContact O-ND2 3.46Å |
| 1107 | D | 85.8 | Confident | 79.6 | Confident | 105 Ų | 105 | 75.5 Ų | 75.5 | 56% | 0.561 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.2 | -42.3 | 174.8 | -56.4 | -36 | 0 | 0 | 0 | 110.9 | P1104 V1109 N1110 L1111 | P1104-D1107 PolarHBondContact O-N 3.4Å; D1107-V1109 VanDerWaalsContact C-N 3.35Å; D1107-V1109 PolarHBondContact O-N 2.9Å; D1107-N1110 PolarHBondContact O-N 3.37Å; D1107-L1111 WeakPolarHBondContact O-CB 3.34Å; D1107-L1111 PolarHBondContact O-N 3.44Å |
| 1108 | I | 87.4 | Confident | 78.9 | Confident | 91 Ų | 91 | 77.7 Ų | 77.7 | 47% | 0.467 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.1 | -44 | 174.3 | -63.3 | 171.5 | 0 | 0 | 0 | 111 | P1104 I1105 L1106 N1110 L1111 I1112 | P1104-I1108 PolarHBondContact O-N 3.28Å; I1105-I1108 PolarHBondContact O-N 3.12Å; L1106-I1108 VanDerWaalsContact C-N 3.33Å; L1106-I1108 PolarHBondContact O-N 3.17Å; I1108-N1110 VanDerWaalsContact C-N 3.33Å; I1108-N1110 PolarHBondContact O-N 3.47Å; I1108-L1111 PolarHBondContact O-N 3.48Å; I1108-I1112 HydrophobicContact CG2-CD1 3.9Å; I1108-I1112 HydrophobicContact CG2-CG1 4.47Å; I1108-I1112 VanDerWaalsContact O-CG1 3.28Å; I1108-I1112 WeakPolarHBondContact O-CG1 3.35Å; I1108-I1112 PolarHBondContact O-N 2.91Å |
| 1109 | V | 90.2 | Very high | 77.9 | Confident | 0 Ų | 0 | 78.2 Ų | 78.2 | 0% | 0 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 178.3 | 171.3 | 0 | 0 | 0 | 0 | 111 | L1065 L1089 I1092 H1093 L1096 I1105 L1106 D1107 I1112 K1113 | L1065-V1109 HydrophobicContact CD1-CG2 4.32Å; L1065-V1109 HydrophobicContact CD2-CG2 3.7Å; L1089-V1109 HydrophobicContact CD2-CG1 4.47Å; I1092-V1109 HydrophobicContact CG2-CG1 4.47Å; I1092-V1109 HydrophobicContact CG2-CG2 3.9Å; H1093-V1109 HydrophobicContact CB-CG1 4.05Å; L1096-V1109 HydrophobicContact CD1-CG2 4.1Å; I1105-V1109 VanDerWaalsContact O-CG2 3.31Å; I1105-V1109 WeakPolarHBondContact O-CG2 3.49Å; I1105-V1109 PolarHBondContact O-N 3.45Å; I1105-V1109 VanDerWaalsContact O-N 3.07Å; L1106-V1109 PolarHBondContact O-N 3.16Å; D1107-V1109 VanDerWaalsContact C-N 3.35Å; D1107-V1109 PolarHBondContact O-N 2.9Å; V1109-I1112 PolarHBondContact O-N 2.83Å; V1109-K1113 WeakPolarHBondContact O-CB 3.42Å; V1109-K1113 PolarHBondContact O-N 3.29Å |
| 1110 | N | 89 | Confident | 77.1 | Confident | 49 Ų | 49 | 78.6 Ų | 78.6 | 26% | 0.262 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 176.9 | -69 | -23.7 | 0 | 0 | 0 | 111.4 | H1093 L1106 D1107 I1108 I1112 K1113 E1114 | H1093-N1110 PolarHBondContact CE1-OD1 2.98Å; H1093-N1110 PolarHBondContact ND1-OD1 3.15Å; L1106-N1110 VanDerWaalsContact O-CG 3.27Å; L1106-N1110 PolarHBondContact O-N 3.3Å; L1106-N1110 PolarHBondContact O-ND2 3.46Å; D1107-N1110 PolarHBondContact O-N 3.37Å; I1108-N1110 VanDerWaalsContact C-N 3.33Å; I1108-N1110 PolarHBondContact O-N 3.47Å; N1110-I1112 PolarHBondContact O-N 3.25Å; N1110-K1113 CarbonylContact O-C 3.41Å; N1110-K1113 WeakPolarHBondContact O-CB 3.44Å; N1110-K1113 PolarHBondContact O-N 3.35Å; N1110-K1113 VanDerWaalsContact O-N 3.12Å; N1110-E1114 WeakPolarHBondContact O-CG 3.48Å; N1110-E1114 PolarHBondContact O-N 3.42Å |
| 1111 | L | 89.1 | Confident | 76 | Confident | 100 Ų | 100 | 81.6 Ų | 81.6 | 52% | 0.524 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 178 | -166.5 | 144 | 0 | 0 | 0 | 112 | D1107 I1108 K1113 E1114 E1115 | D1107-L1111 WeakPolarHBondContact O-CB 3.34Å; D1107-L1111 PolarHBondContact O-N 3.44Å; I1108-L1111 PolarHBondContact O-N 3.48Å; L1111-K1113 VanDerWaalsContact C-N 3.31Å; L1111-K1113 PolarHBondContact O-N 3.12Å; L1111-E1114 PolarHBondContact O-N 3.42Å; L1111-E1115 PolarHBondContact O-N 2.98Å |
| 1112 | I | 90.3 | Very high | 74.9 | Confident | 4 Ų | 4 | 81.7 Ų | 81.7 | 2% | 0.021 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 173.7 | -62.8 | 165.2 | 0 | 0 | 0 | 110.8 | A1072 T1073 L1089 I1108 V1109 N1110 C1116 | A1072-I1112 HydrophobicContact CB-CG2 4.35Å; T1073-I1112 HydrophobicContact CG2-CG2 4.22Å; L1089-I1112 HydrophobicContact CD1-CG2 3.9Å; L1089-I1112 HydrophobicContact CD2-CB 4.23Å; L1089-I1112 HydrophobicContact CD2-CG2 3.8Å; I1108-I1112 HydrophobicContact CG2-CD1 3.9Å; I1108-I1112 HydrophobicContact CG2-CG1 4.47Å; I1108-I1112 VanDerWaalsContact O-CG1 3.28Å; I1108-I1112 WeakPolarHBondContact O-CG1 3.35Å; I1108-I1112 PolarHBondContact O-N 2.91Å; V1109-I1112 PolarHBondContact O-N 2.83Å; N1110-I1112 PolarHBondContact O-N 3.25Å; I1112-C1116 WeakPolarHBondContact O-CB 3.29Å; I1112-C1116 PolarHBondContact O-N 2.72Å |
| 1113 | K | 88 | Confident | 73.5 | Confident | 65 Ų | 65 | 80.9 Ų | 80.9 | 28% | 0.283 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65 | -42.4 | 178.3 | -171.4 | -178.5 | 179.1 | -178.7 | 0 | 111.3 | L1086 L1089 V1109 N1110 L1111 C1116 S1117 | L1086-K1113 HydrophobicContact CD2-CG 4.04Å; L1089-K1113 HydrophobicContact CD1-CB 4.31Å; V1109-K1113 WeakPolarHBondContact O-CB 3.42Å; V1109-K1113 PolarHBondContact O-N 3.29Å; N1110-K1113 CarbonylContact O-C 3.41Å; N1110-K1113 WeakPolarHBondContact O-CB 3.44Å; N1110-K1113 PolarHBondContact O-N 3.35Å; N1110-K1113 VanDerWaalsContact O-N 3.12Å; L1111-K1113 VanDerWaalsContact C-N 3.31Å; L1111-K1113 PolarHBondContact O-N 3.12Å; K1113-C1116 PolarHBondContact O-N 3.25Å; K1113-S1117 VanDerWaalsContact O-CB 3.31Å; K1113-S1117 WeakPolarHBondContact O-CB 3.5Å; K1113-S1117 PolarHBondContact O-N 3.47Å; K1113-S1117 PolarHBondContact O-OG 3.01Å |
| 1114 | E | 86.3 | Confident | 71.6 | Confident | 135 Ų | 135 | 83.3 Ų | 83.3 | 63% | 0.631 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -61.4 | -51.9 | 174.8 | -75.5 | 177.5 | -177.2 | 0 | 0 | 110.8 | N1110 L1111 C1116 S1117 V1118 | N1110-E1114 WeakPolarHBondContact O-CG 3.48Å; N1110-E1114 PolarHBondContact O-N 3.42Å; L1111-E1114 PolarHBondContact O-N 3.42Å; E1114-C1116 VanDerWaalsContact C-N 3.33Å; E1114-C1116 PolarHBondContact O-N 3.12Å; E1114-S1117 CarbonylContact O-C 3.59Å; E1114-S1117 VanDerWaalsContact O-CA 3.32Å; E1114-S1117 WeakPolarHBondContact O-CA 3.19Å; E1114-S1117 WeakPolarHBondContact O-CB 2.93Å; E1114-S1117 PolarHBondContact O-N 3.21Å; E1114-V1118 WeakPolarHBondContact O-CG2 3.28Å; E1114-V1118 PolarHBondContact O-N 3.06Å; E1114-V1118 VanDerWaalsContact O-N 3.09Å |
| 1115 | E | 85 | Confident | 69.8 | Low | 95 Ų | 95 | 83.7 Ų | 83.7 | 44% | 0.444 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.6 | -40 | 178.1 | -75.5 | -166.6 | 165.1 | 0 | 0 | 113 | T1073 L1111 S1117 V1118 | T1073-E1115 WeakPolarHBondContact CB-OE2 3.4Å; T1073-E1115 HydrophobicContact CG2-CB 3.92Å; T1073-E1115 WeakPolarHBondContact CG2-OE2 3.41Å; L1111-E1115 PolarHBondContact O-N 2.98Å; E1115-S1117 PolarHBondContact O-N 2.98Å; E1115-V1118 PolarHBondContact O-N 3.46Å |
| 1116 | C | 83.4 | Confident | 67.5 | Low | 6 Ų | 6 | 91.3 Ų | 91.3 | 4% | 0.041 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -65.8 | -25.4 | 174 | -166.6 | 0 | 0 | 0 | 0 | 111.8 | A1072 R1082 L1086 L1089 I1112 K1113 E1114 | A1072-C1116 HydrophobicContact CB-CB 4.48Å; A1072-C1116 PolarHBondContact O-SG 3.29Å; R1082-C1116 PolarHBondContact NE-O 3.26Å; R1082-C1116 PolarHBondContact NH2-O 3.44Å; L1086-C1116 HydrophobicContact CD2-CB 4.2Å; L1089-C1116 HydrophobicContact CD1-CB 4.37Å; I1112-C1116 WeakPolarHBondContact O-CB 3.29Å; I1112-C1116 PolarHBondContact O-N 2.72Å; K1113-C1116 PolarHBondContact O-N 3.25Å; E1114-C1116 VanDerWaalsContact C-N 3.33Å; E1114-C1116 PolarHBondContact O-N 3.12Å |
| 1117 | S | 77.4 | Confident | 65 | Low | 58 Ų | 58 | 94.2 Ų | 94.2 | 41% | 0.406 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -85.3 | -10.7 | 177.5 | -56.7 | 0 | 0 | 0 | 0 | 113.5 | R1082 K1113 E1114 E1115 | R1082-S1117 VanDerWaalsContact NH2-CA 3.28Å; R1082-S1117 PolarHBondContact NH2-O 3.22Å; K1113-S1117 VanDerWaalsContact O-CB 3.31Å; K1113-S1117 WeakPolarHBondContact O-CB 3.5Å; K1113-S1117 PolarHBondContact O-N 3.47Å; K1113-S1117 PolarHBondContact O-OG 3.01Å; E1114-S1117 CarbonylContact O-C 3.59Å; E1114-S1117 VanDerWaalsContact O-CA 3.32Å; E1114-S1117 WeakPolarHBondContact O-CA 3.19Å; E1114-S1117 WeakPolarHBondContact O-CB 2.93Å; E1114-S1117 PolarHBondContact O-N 3.21Å; E1115-S1117 PolarHBondContact O-N 2.98Å |
| 1118 | V | 67.7 | Low | 62.5 | Low | 93 Ų | 93 | 96.7 Ų | 96.7 | 56% | 0.564 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -82.5 | 118.5 | 174.6 | -177.5 | 0 | 0 | 0 | 0 | 110.2 | E1114 E1115 K1120 | E1114-V1118 WeakPolarHBondContact O-CG2 3.28Å; E1114-V1118 PolarHBondContact O-N 3.06Å; E1114-V1118 VanDerWaalsContact O-N 3.09Å; E1115-V1118 PolarHBondContact O-N 3.46Å; V1118-K1120 PolarHBondContact O-N 3Å; V1118-K1120 VanDerWaalsContact O-N 3.08Å |
| 1119 | E | 53.5 | Low | 60 | Low | 141 Ų | 141 | 96.9 Ų | 96.9 | 66% | 0.659 | 53% | 0.533 | S | S | * | . | trans | -69.3 | 103.4 | 166 | -78.2 | 179.2 | 177.5 | 0 | 0 | 108.8 | R1082 N1121 | R1082-E1119 IonicContact NH1-OE1 3.45Å; R1082-E1119 PolarHBondContact NH1-OE1 3.16Å; E1119-N1121 PolarHBondContact O-N 3.38Å | ||
| 1120 | K | 47.7 | Very low | 57.3 | Low | 143 Ų | 143 | 102.3 Ų | 102.3 | 62% | 0.622 | 57% | 0.571 | S | S | * | * | trans | -67.6 | 88.9 | 169.3 | -74.6 | 179.9 | 178.6 | 166.2 | 0 | 108 | T1073 V1118 S1122 | T1073-K1120 PolarHBondContact O-NZ 3.04Å; V1118-K1120 PolarHBondContact O-N 3Å; V1118-K1120 VanDerWaalsContact O-N 3.08Å; K1120-S1122 PolarHBondContact O-N 3.07Å | ||
| 1121 | N | 35.9 | Very low | 54.8 | Low | 135 Ų | 135 | 107.7 Ų | 107.7 | 72% | 0.722 | 60% | 0.598 | S | S | * | * | trans | -48.6 | 125.3 | 165.2 | -80.3 | -28.2 | 0 | 0 | 0 | 108 | E1119 V1123 | E1119-N1121 PolarHBondContact O-N 3.38Å; N1121-V1123 PolarHBondContact O-N 2.62Å | ||
| 1122 | S | 34.3 | Very low | 52.4 | Low | 117 Ų | 117 | 108.6 Ų | 108.6 | 82% | 0.818 | 61% | 0.61 | S | S | * | * | trans | -45.6 | 97.3 | -178.2 | 51.7 | 0 | 0 | 0 | 0 | 111.7 | K1120 N1124 | K1120-S1122 PolarHBondContact O-N 3.07Å; S1122-N1124 PolarHBondContact O-N 3.42Å; S1122-N1124 VanDerWaalsContact O-N 3.12Å | ||
| 1123 | V | 31.6 | Very low | 49.9 | Very low | 135 Ų | 135 | 113.4 Ų | 113.4 | 82% | 0.818 | 64% | 0.644 | S | S | * | * | trans | -70.7 | 107.9 | 165.8 | 179 | 0 | 0 | 0 | 0 | 105.9 | N1121 P1125 | N1121-V1123 PolarHBondContact O-N 2.62Å; V1123-P1125 WeakPolarHBondContact O-CD 3.31Å | ||
| 1124 | N | 32.7 | Very low | 47.2 | Very low | 108 Ų | 108 | 119.9 Ų | 119.9 | 58% | 0.578 | 68% | 0.675 | S | S | * | * | trans | -57.8 | 119.4 | 178.4 | -169.6 | -2.4 | 0 | 0 | 0 | 109.2 | S1122 Y1126 A1127 | S1122-N1124 PolarHBondContact O-N 3.42Å; S1122-N1124 VanDerWaalsContact O-N 3.12Å; N1124-Y1126 PolarHBondContact O-N 3.11Å; N1124-A1127 PolarHBondContact O-N 3.24Å | ||
| 1125 | P | 41.3 | Very low | 45 | Very low | 108 Ų | 108 | 122 Ų | 122 | 70% | 0.701 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | 3.7 | -173.2 | 26.6 | -32.8 | 0 | 0 | 0 | 114.5 | V1123 | V1123-P1125 WeakPolarHBondContact O-CD 3.31Š|
| 1126 | Y | 35.5 | Very low | 43 | Very low | 204 Ų | 204 | 123.4 Ų | 123.4 | 80% | 0.8 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | 5.2 | 176.7 | -69.2 | -75.4 | 0 | 0 | 0 | 115 | N1124 I1128 | N1124-Y1126 PolarHBondContact O-N 3.11Å; Y1126-I1128 PolarHBondContact O-N 2.92Å |
| 1127 | A | 32.5 | Very low | 40.8 | Very low | 86 Ų | 86 | 129.6 Ų | 129.6 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | trans | -84 | 56.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | N1124 | N1124-A1127 PolarHBondContact O-N 3.24Š| ||
| 1128 | I | 34 | Very low | 38.8 | Very low | 157 Ų | 157 | 133.6 Ų | 133.6 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | trans | -132.7 | 79.4 | 164.1 | -52.6 | 176.6 | 0 | 0 | 0 | 107.3 | Y1126 | Y1126-I1128 PolarHBondContact O-N 2.92Š| ||
| 1129 | A | 33.5 | Very low | 37.1 | Very low | 95 Ų | 95 | 135.9 Ų | 135.9 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -173 | 75.7 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1130 | S | 34.1 | Very low | 36.1 | Very low | 114 Ų | 114 | 135.6 Ų | 135.6 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -159.2 | 70.6 | 152.9 | 57 | 0 | 0 | 0 | 0 | 107.9 | P1132 | S1130-P1132 WeakPolarHBondContact O-CD 3.32Š| ||
| 1131 | I | 36.3 | Very low | 35.3 | Very low | 162 Ų | 162 | 135.1 Ų | 135.1 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | trans | -70 | 118 | 158.7 | -62.5 | 171 | 0 | 0 | 0 | 104.7 | S1133 | I1131-S1133 PolarHBondContact O-N 3.32Š| ||
| 1132 | P | 39.2 | Very low | 35.3 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | -71.2 | 114.5 | 173.2 | 6 | 8.4 | 0 | 0 | 0 | 107.4 | S1130 | S1130-P1132 WeakPolarHBondContact O-CD 3.32Š| ||
| 1133 | S | 38.6 | Very low | 35.3 | Very low | 106 Ų | 106 | 136.5 Ų | 136.5 | 74% | 0.741 | 81% | 0.811 | S | S | * | * | trans | -62.7 | 131.1 | 166.1 | 48.1 | 0 | 0 | 0 | 0 | 109.5 | I1131 S1135 | I1131-S1133 PolarHBondContact O-N 3.32Å; S1133-S1135 PolarHBondContact O-N 3.28Å | ||
| 1134 | E | 30.8 | Very low | 35.6 | Very low | 200 Ų | 200 | 136.7 Ų | 136.7 | 94% | 0.935 | 81% | 0.81 | S | S | * | * | trans | -49.8 | 118.7 | 172.9 | -66.5 | 171.1 | 146.5 | 0 | 0 | 112.5 | ||||
| 1135 | S | 39.3 | Very low | 35.9 | Very low | 181 Ų | 181 | 139.3 Ų | 139.3 | 100% | 1.266 | 83% | 0.831 | S | S | * | * | trans | -168.5 | 0 | 146.8 | 65.1 | 0 | 0 | 0 | 0 | 106.8 | S1133 | S1133-S1135 PolarHBondContact O-N 3.28Š|
Retrieved 1,135 of 1,135 residues in 1660 ms
(Link to these results)