| 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 | 28.3 | Very low | 47 | Very low | 212 Ų | 212 | 86.5 Ų | 86.5 | 100% | 1.044 | 49% | 0.493 | S | S | * | . | 0 | 123.8 | 0 | -84.7 | 165.7 | 154.3 | 0 | 0 | 106.6 | |||||
| 2 | G | 28.6 | Very low | 48.1 | Very low | 78 Ų | 78 | 84.7 Ų | 84.7 | 80% | 0.804 | 49% | 0.488 | S | S | * | . | trans | 146.5 | 46 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 3 | N | 29.9 | Very low | 49.4 | Very low | 139 Ų | 139 | 78.5 Ų | 78.5 | 74% | 0.743 | 45% | 0.453 | S | S | * | . | trans | -149.5 | 94.1 | 149.9 | -97.6 | -15.5 | 0 | 0 | 0 | 104.8 | K5 | N3-K5 PolarHBondContact O-N 2.9Š| ||
| 4 | Y | 41.8 | Very low | 50.5 | Low | 120 Ų | 120 | 74.9 Ų | 74.9 | 47% | 0.471 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 133.1 | 173.7 | -141.7 | -105.3 | 0 | 0 | 0 | 107.1 | P373 | Y4-P373 HydrophobicContact CD1-CG 4.04Å; Y4-P373 HydrophobicContact CE1-CG 3.67Å |
| 5 | K | 50 | Low | 51.7 | Low | 29 Ų | 29 | 75.5 Ų | 75.5 | 13% | 0.126 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.6 | 11.1 | 178.3 | -51.9 | 174.4 | -177.5 | 162.9 | 0 | 119.9 | N3 F349 W388 | N3-K5 PolarHBondContact O-N 2.9Å; K5-F349 HydrophobicContact CB-CE1 4.36Å; K5-F349 HydrophobicContact CB-CE2 4.26Å; K5-F349 HydrophobicContact CB-CZ 3.87Å; K5-F349 HydrophobicContact CD-CE2 4.25Å; K5-W388 HydrophobicContact CD-CH2 3.75Å; K5-W388 HydrophobicContact CD-CZ2 4.08Å; K5-W388 HydrophobicContact CD-CZ3 4.11Å; K5-W388 VanDerWaalsContact CE-CH2 3.41Å; K5-W388 VanDerWaalsContact CE-CZ2 3.48Å |
| 6 | S | 50.2 | Low | 52.7 | Low | 62 Ų | 62 | 71.4 Ų | 71.4 | 43% | 0.434 | 40% | 0.404 | S | S | . | . | trans | -129.4 | 104.1 | 162.2 | 64.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 7 | R | 54.5 | Low | 53.7 | Low | 26 Ų | 26 | 68.9 Ų | 68.9 | 10% | 0.098 | 39% | 0.388 | C | S | . | . | trans | -50.4 | 126 | 165.2 | -174.4 | 172.8 | -162.9 | -133.6 | -4.8 | 108.2 | S9 D271 Y279 F304 Y315 | R7-S9 PolarHBondContact O-N 2.78Å; R7-D271 IonicContact CZ-OD2 2.98Å; R7-D271 IonicContact NE-OD2 3.48Å; R7-D271 IonicContact NH2-OD2 2.96Å; R7-D271 PolarHBondContact NH2-OD2 2.84Å; R7-Y279 VanDerWaalsContact CD-CZ 3.44Å; R7-Y279 VanDerWaalsContact CZ-CD2 3.47Å; R7-Y279 VanDerWaalsContact CZ-CE2 3.47Å; R7-Y279 VanDerWaalsContact NH1-CE2 3.33Å; R7-F304 HydrophobicContact CG-CE2 4.34Å; R7-Y315 PolarHBondContact O-OH 3.4Å | ||
| 8 | P | 56.2 | Low | 54.9 | Low | 69 Ų | 69 | 72.3 Ų | 72.3 | 45% | 0.448 | 40% | 0.398 | S | S | . | . | trans | -57.8 | 132.4 | 175.9 | 21.8 | -29.8 | 0 | 0 | 0 | 108.8 | Q10 | P8-Q10 PolarHBondContact O-N 3.47Å; P8-Q10 VanDerWaalsContact O-N 3.16Å | ||
| 9 | S | 56.9 | Low | 55.7 | Low | 99 Ų | 99 | 70.2 Ų | 70.2 | 69% | 0.692 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -65.9 | -17 | -176.4 | 53.7 | 0 | 0 | 0 | 0 | 113.3 | R7 | R7-S9 PolarHBondContact O-N 2.78Š|
| 10 | Q | 56.8 | Low | 56.8 | Low | 108 Ų | 108 | 66.9 Ų | 66.9 | 51% | 0.505 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -138.5 | 133.3 | 178.4 | -64 | 177.6 | 20.2 | 0 | 0 | 108.5 | P8 | P8-Q10 PolarHBondContact O-N 3.47Å; P8-Q10 VanDerWaalsContact O-N 3.16Å |
| 11 | T | 63.8 | Low | 57.9 | Low | 10 Ų | 10 | 64.2 Ų | 64.2 | 6% | 0.061 | 35% | 0.354 | C | S | . | . | trans | -86.3 | 167.9 | 172.9 | 77 | 0 | 0 | 0 | 0 | 111.1 | T13 D14 E15 E234 Y269 | T11-T13 PolarHBondContact O-N 3.37Å; T11-T13 PolarHBondContact OG1-N 3.36Å; T11-D14 PolarHBondContact N-OD2 3.25Å; T11-D14 WeakPolarHBondContact O-CB 3.41Å; T11-D14 PolarHBondContact O-N 3.25Å; T11-D14 VanDerWaalsContact O-N 3.11Å; T11-D14 PolarHBondContact OG1-N 3.5Å; T11-D14 PolarHBondContact OG1-OD2 3.28Å; T11-E15 PolarHBondContact O-N 3.15Å; T11-E15 VanDerWaalsContact O-N 3.13Å; T11-E234 WeakPolarHBondContact CB-OE2 3.49Å; T11-E234 PolarHBondContact OG1-OE2 3.32Å; T11-E234 VanDerWaalsContact OG1-OE2 3.08Å; T11-Y269 HydrophobicContact CG2-CE2 4.25Å | ||
| 12 | C | 60.2 | Low | 60.4 | Low | 64 Ų | 64 | 58 Ų | 58 | 43% | 0.432 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.5 | -37.8 | 176.9 | -164.2 | 0 | 0 | 0 | 0 | 110.7 | D14 E15 W16 E234 V759 | C12-D14 VanDerWaalsContact C-N 3.34Å; C12-D14 PolarHBondContact O-N 3.31Å; C12-E15 PolarHBondContact O-N 3.29Å; C12-W16 WeakPolarHBondContact O-CB 3.5Å; C12-W16 PolarHBondContact O-N 3.38Å; C12-E234 PolarHBondContact N-OE1 3.03Å; C12-V759 VanDerWaalsContact SG-CB 3.53Å; C12-V759 WeakPolarHBondContact SG-CG2 3.25Å |
| 13 | T | 64.8 | Low | 62.9 | Low | 5 Ų | 5 | 55.6 Ų | 55.6 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.2 | -36 | 173 | -59.3 | 0 | 0 | 0 | 0 | 112.7 | T11 W16 K17 V199 E234 | T11-T13 PolarHBondContact O-N 3.37Å; T11-T13 PolarHBondContact OG1-N 3.36Å; T13-W16 WeakPolarHBondContact O-CB 3.31Å; T13-W16 PolarHBondContact O-N 3.04Å; T13-K17 HydrophobicContact CG2-CD 4.09Å; T13-K17 HydrophobicContact CG2-CG 4.49Å; T13-K17 WeakPolarHBondContact O-CB 3.45Å; T13-K17 WeakPolarHBondContact O-CG 3.43Å; T13-K17 PolarHBondContact O-N 3.17Å; T13-V199 HydrophobicContact CG2-CG2 4.46Å; T13-E234 WeakPolarHBondContact CB-OE2 3.37Å; T13-E234 PolarHBondContact N-OE1 3.06Å; T13-E234 WeakPolarHBondContact OG1-CG 3.45Å; T13-E234 PolarHBondContact OG1-OE1 2.93Å; T13-E234 PolarHBondContact OG1-OE2 3.33Å |
| 14 | D | 65.7 | Low | 65.7 | Low | 27 Ų | 27 | 49 Ų | 49 | 14% | 0.144 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.2 | -44.5 | 176.5 | -63 | -37.9 | 0 | 0 | 0 | 112.1 | T11 C12 W16 K17 K18 R244 | T11-D14 PolarHBondContact N-OD2 3.25Å; T11-D14 WeakPolarHBondContact O-CB 3.41Å; T11-D14 PolarHBondContact O-N 3.25Å; T11-D14 VanDerWaalsContact O-N 3.11Å; T11-D14 PolarHBondContact OG1-N 3.5Å; T11-D14 PolarHBondContact OG1-OD2 3.28Å; C12-D14 VanDerWaalsContact C-N 3.34Å; C12-D14 PolarHBondContact O-N 3.31Å; D14-W16 VanDerWaalsContact C-N 3.28Å; D14-W16 PolarHBondContact O-N 2.7Å; D14-K17 PolarHBondContact O-N 3.38Å; D14-K18 WeakPolarHBondContact O-CB 3.49Å; D14-K18 PolarHBondContact O-N 2.86Å; D14-R244 VanDerWaalsContact CG-NH1 3.25Å; D14-R244 VanDerWaalsContact CG-NH2 3.32Å; D14-R244 IonicContact OD1-CZ 3.48Å; D14-R244 VanDerWaalsContact OD1-CZ 3.32Å; D14-R244 IonicContact OD1-NH1 2.66Å; D14-R244 PolarHBondContact OD1-NH1 3.45Å; D14-R244 IonicContact OD1-NH2 3.44Å; D14-R244 PolarHBondContact OD1-NH2 2.75Å; D14-R244 IonicContact OD2-CZ 3.07Å; D14-R244 IonicContact OD2-NH1 3.45Å; D14-R244 PolarHBondContact OD2-NH1 2.69Å; D14-R244 IonicContact OD2-NH2 2.62Å; D14-R244 PolarHBondContact OD2-NH2 3.32Å |
| 15 | E | 68.1 | Low | 67.9 | Low | 85 Ų | 85 | 46.7 Ų | 46.7 | 40% | 0.397 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.4 | -38.7 | 174.6 | -73.5 | -165.2 | 179.8 | 0 | 0 | 111.8 | T11 C12 K19 | T11-E15 PolarHBondContact O-N 3.15Å; T11-E15 VanDerWaalsContact O-N 3.13Å; C12-E15 PolarHBondContact O-N 3.29Å; E15-K19 VanDerWaalsContact O-CG 3.32Å; E15-K19 WeakPolarHBondContact O-CG 3.38Å; E15-K19 PolarHBondContact O-N 2.85Å |
| 16 | W | 67 | Low | 69.6 | Low | 10 Ų | 10 | 48 Ų | 48 | 4% | 0.038 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.6 | -54.5 | 175 | 177 | -109.4 | 0 | 0 | 0 | 111.2 | C12 T13 D14 K18 K19 V20 V166 E198 V199 V759 L762 | C12-W16 WeakPolarHBondContact O-CB 3.5Å; C12-W16 PolarHBondContact O-N 3.38Å; T13-W16 WeakPolarHBondContact O-CB 3.31Å; T13-W16 PolarHBondContact O-N 3.04Å; D14-W16 VanDerWaalsContact C-N 3.28Å; D14-W16 PolarHBondContact O-N 2.7Å; W16-K18 VanDerWaalsContact C-N 3.26Å; W16-K18 PolarHBondContact O-N 2.94Å; W16-K19 WeakPolarHBondContact O-CA 3.1Å; W16-K19 WeakPolarHBondContact O-CB 3.45Å; W16-K19 PolarHBondContact O-N 3.5Å; W16-V20 HydrophobicContact CD2-CG2 4.11Å; W16-V20 HydrophobicContact CG-CG2 4.36Å; W16-V20 HydrophobicContact CZ2-CG2 3.96Å; W16-V20 WeakPolarHBondContact O-CG2 3.4Å; W16-V20 PolarHBondContact O-N 3.37Å; W16-V166 HydrophobicContact CH2-CB 4.4Å; W16-V166 HydrophobicContact CH2-CG1 3.92Å; W16-V166 HydrophobicContact CZ2-CB 3.97Å; W16-V166 HydrophobicContact CZ2-CG1 3.9Å; W16-E198 HydrophobicContact CH2-CG 4.47Å; W16-E198 HydrophobicContact CZ2-CB 3.81Å; W16-E198 HydrophobicContact CZ2-CG 4.03Å; W16-V199 HydrophobicContact CB-CG1 4.31Å; W16-V199 VanDerWaalsContact CD1-CG1 3.42Å; W16-V199 HydrophobicContact CD2-CG1 4.17Å; W16-V199 HydrophobicContact CG-CG1 3.7Å; W16-V199 HydrophobicContact CG-CG2 4.49Å; W16-V759 HydrophobicContact CB-CG1 3.9Å; W16-V759 HydrophobicContact CB-CG2 3.89Å; W16-V759 HydrophobicContact CD2-CG2 4.49Å; W16-V759 HydrophobicContact CE3-CB 4.43Å; W16-V759 HydrophobicContact CE3-CG1 4.05Å; W16-V759 HydrophobicContact CE3-CG2 4.47Å; W16-V759 HydrophobicContact CG-CG2 4.28Å; W16-L762 HydrophobicContact CE3-CD1 4.16Å; W16-L762 HydrophobicContact CH2-CB 3.6Å; W16-L762 HydrophobicContact CH2-CD1 3.21Å; W16-L762 HydrophobicContact CH2-CG 4.02Å; W16-L762 HydrophobicContact CZ2-CD1 3.88Å; W16-L762 HydrophobicContact CZ3-CB 3.61Å; W16-L762 HydrophobicContact CZ3-CD1 3.37Å; W16-L762 HydrophobicContact CZ3-CG 4.19Å |
| 17 | K | 70.6 | Confident | 71.4 | Confident | 29 Ų | 29 | 45 Ų | 45 | 13% | 0.126 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.4 | -37.4 | -179.8 | -72.4 | 175.9 | 179.8 | -177.8 | 0 | 112.3 | T13 D14 V20 G21 | T13-K17 HydrophobicContact CG2-CD 4.09Å; T13-K17 HydrophobicContact CG2-CG 4.49Å; T13-K17 WeakPolarHBondContact O-CB 3.45Å; T13-K17 WeakPolarHBondContact O-CG 3.43Å; T13-K17 PolarHBondContact O-N 3.17Å; D14-K17 PolarHBondContact O-N 3.38Å; K17-V20 PolarHBondContact O-N 3.23Å; K17-G21 PolarHBondContact O-N 3.14Å |
| 18 | K | 74.6 | Confident | 73.3 | Confident | 130 Ų | 130 | 45.9 Ų | 45.9 | 57% | 0.565 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -60.5 | -48 | 172.6 | -173.9 | -176.8 | 178 | -167.6 | 0 | 111.5 | D14 W16 V20 G21 E22 | D14-K18 WeakPolarHBondContact O-CB 3.49Å; D14-K18 PolarHBondContact O-N 2.86Å; W16-K18 VanDerWaalsContact C-N 3.26Å; W16-K18 PolarHBondContact O-N 2.94Å; K18-V20 PolarHBondContact O-N 3.06Å; K18-G21 PolarHBondContact O-N 3.47Å; K18-E22 WeakPolarHBondContact CE-OE1 3.42Å; K18-E22 IonicContact NZ-OE1 3.54Å; K18-E22 WeakPolarHBondContact O-CG 3.48Å; K18-E22 PolarHBondContact O-N 2.8Å |
| 19 | K | 71.3 | Confident | 75 | Confident | 32 Ų | 32 | 48.9 Ų | 48.9 | 14% | 0.139 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.9 | -37 | 177.9 | -71.3 | 173.5 | -164.3 | 155.2 | 0 | 112.9 | E15 W16 G21 E22 S23 | E15-K19 VanDerWaalsContact O-CG 3.32Å; E15-K19 WeakPolarHBondContact O-CG 3.38Å; E15-K19 PolarHBondContact O-N 2.85Å; W16-K19 WeakPolarHBondContact O-CA 3.1Å; W16-K19 WeakPolarHBondContact O-CB 3.45Å; W16-K19 PolarHBondContact O-N 3.5Å; K19-G21 VanDerWaalsContact C-N 3.32Å; K19-E22 PolarHBondContact O-N 3.01Å; K19-S23 WeakPolarHBondContact O-CB 3.44Å; K19-S23 PolarHBondContact O-N 3.41Å |
| 20 | V | 77.5 | Confident | 76.7 | Confident | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.3 | -47.5 | 174.1 | 173.4 | 0 | 0 | 0 | 0 | 109.5 | W16 K17 K18 S23 Y24 V166 F168 | W16-V20 HydrophobicContact CD2-CG2 4.11Å; W16-V20 HydrophobicContact CG-CG2 4.36Å; W16-V20 HydrophobicContact CZ2-CG2 3.96Å; W16-V20 WeakPolarHBondContact O-CG2 3.4Å; W16-V20 PolarHBondContact O-N 3.37Å; K17-V20 PolarHBondContact O-N 3.23Å; K18-V20 PolarHBondContact O-N 3.06Å; V20-S23 WeakPolarHBondContact O-CB 3.34Å; V20-S23 PolarHBondContact O-N 3.42Å; V20-Y24 HydrophobicContact CG1-CD2 3.76Å; V20-Y24 HydrophobicContact CG1-CE2 3.44Å; V20-Y24 VanDerWaalsContact CG1-CE2 3.44Å; V20-Y24 VanDerWaalsContact O-CD2 3.28Å; V20-Y24 WeakPolarHBondContact O-CD2 3.32Å; V20-Y24 PolarHBondContact O-N 3.38Å; V20-V166 HydrophobicContact CG1-CG2 4.45Å; V20-V166 HydrophobicContact CG2-CG1 4.18Å; V20-F168 HydrophobicContact CG1-CD2 4.4Å; V20-F168 HydrophobicContact CG1-CE2 3.78Å; V20-F168 HydrophobicContact CG1-CZ 4.09Å |
| 21 | G | 79.1 | Confident | 78.4 | Confident | 12 Ų | 12 | 41.7 Ų | 41.7 | 12% | 0.124 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.7 | -48.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K17 K18 K19 S23 Y24 S25 | K17-G21 PolarHBondContact O-N 3.14Å; K18-G21 PolarHBondContact O-N 3.47Å; K19-G21 VanDerWaalsContact C-N 3.32Å; G21-S23 VanDerWaalsContact C-N 3.29Å; G21-S23 PolarHBondContact O-N 3.04Å; G21-Y24 PolarHBondContact O-N 3.28Å; G21-S25 PolarHBondContact O-N 2.84Å; G21-S25 PolarHBondContact O-OG 2.8Å |
| 22 | E | 80.1 | Confident | 79.9 | Confident | 80 Ų | 80 | 44.2 Ų | 44.2 | 37% | 0.374 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.9 | -39.3 | 175.5 | -70.1 | 170.6 | -179.6 | 0 | 0 | 112.1 | K18 K19 S25 V26 | K18-E22 WeakPolarHBondContact CE-OE1 3.42Å; K18-E22 IonicContact NZ-OE1 3.54Å; K18-E22 WeakPolarHBondContact O-CG 3.48Å; K18-E22 PolarHBondContact O-N 2.8Å; K19-E22 PolarHBondContact O-N 3.01Å; E22-S25 WeakPolarHBondContact O-CB 3.33Å; E22-S25 PolarHBondContact O-N 3.31Å; E22-V26 WeakPolarHBondContact O-CG2 3.15Å; E22-V26 PolarHBondContact O-N 2.99Å |
| 23 | S | 82 | Confident | 81.4 | Confident | 29 Ų | 29 | 43.6 Ų | 43.6 | 20% | 0.203 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.5 | -47.9 | 179.4 | -170.3 | 0 | 0 | 0 | 0 | 111.9 | K19 V20 G21 S25 V26 I27 | K19-S23 WeakPolarHBondContact O-CB 3.44Å; K19-S23 PolarHBondContact O-N 3.41Å; V20-S23 WeakPolarHBondContact O-CB 3.34Å; V20-S23 PolarHBondContact O-N 3.42Å; G21-S23 VanDerWaalsContact C-N 3.29Å; G21-S23 PolarHBondContact O-N 3.04Å; S23-S25 VanDerWaalsContact C-N 3.31Å; S23-S25 PolarHBondContact O-N 3.03Å; S23-V26 PolarHBondContact O-N 3.44Å; S23-I27 WeakPolarHBondContact O-CG1 3.36Å; S23-I27 PolarHBondContact O-N 3.13Å |
| 24 | Y | 88 | Confident | 82.6 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.9 | -32.3 | 175.9 | -70.2 | -60.8 | 0 | 0 | 0 | 112.6 | V20 G21 V26 I27 I28 L143 D164 V166 F168 I173 Y177 | V20-Y24 HydrophobicContact CG1-CD2 3.76Å; V20-Y24 HydrophobicContact CG1-CE2 3.44Å; V20-Y24 VanDerWaalsContact CG1-CE2 3.44Å; V20-Y24 VanDerWaalsContact O-CD2 3.28Å; V20-Y24 WeakPolarHBondContact O-CD2 3.32Å; V20-Y24 PolarHBondContact O-N 3.38Å; G21-Y24 PolarHBondContact O-N 3.28Å; Y24-V26 VanDerWaalsContact C-N 3.34Å; Y24-V26 PolarHBondContact O-N 2.88Å; Y24-I27 HydrophobicContact CD1-CD1 3.71Å; Y24-I27 HydrophobicContact CE1-CD1 4.22Å; Y24-I27 WeakPolarHBondContact O-CB 3.18Å; Y24-I27 PolarHBondContact O-N 3.11Å; Y24-I28 VanDerWaalsContact O-CG1 3.3Å; Y24-I28 WeakPolarHBondContact O-CG1 3.44Å; Y24-I28 PolarHBondContact O-N 3.12Å; Y24-L143 HydrophobicContact CD1-CD1 3.95Å; Y24-L143 HydrophobicContact CG-CD1 4.19Å; Y24-D164 WeakPolarHBondContact CE1-OD2 3.46Å; Y24-D164 PolarHBondContact OH-OD2 3.39Å; Y24-V166 HydrophobicContact CE2-CG2 4.4Å; Y24-V166 WeakPolarHBondContact OH-CG2 3.5Å; Y24-F168 AromaticContact CE2-CD2 3.97Å; Y24-F168 HydrophobicContact CE2-CD2 3.97Å; Y24-F168 HydrophobicContact CE2-CE2 4.34Å; Y24-F168 VanDerWaalsContact OH-CB 3.31Å; Y24-F168 WeakPolarHBondContact OH-CB 3.47Å; Y24-F168 WeakPolarHBondContact OH-CD2 3.09Å; Y24-I173 HydrophobicContact CE1-CD1 3.96Å; Y24-I173 HydrophobicContact CE1-CG1 4.44Å; Y24-Y177 WeakPolarHBondContact CB-OH 3.21Å; Y24-Y177 HydrophobicContact CD2-CE2 4.48Å |
| 25 | S | 87.6 | Confident | 83.8 | Confident | 70 Ų | 70 | 44.7 Ų | 44.7 | 49% | 0.49 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.1 | -42.4 | 170.9 | -66.4 | 0 | 0 | 0 | 0 | 112.2 | G21 E22 S23 I27 I28 E29 | G21-S25 PolarHBondContact O-N 2.84Å; G21-S25 PolarHBondContact O-OG 2.8Å; E22-S25 WeakPolarHBondContact O-CB 3.33Å; E22-S25 PolarHBondContact O-N 3.31Å; S23-S25 VanDerWaalsContact C-N 3.31Å; S23-S25 PolarHBondContact O-N 3.03Å; S25-I27 VanDerWaalsContact C-N 3.35Å; S25-I28 PolarHBondContact O-N 2.99Å; S25-E29 WeakPolarHBondContact O-CB 3.42Å; S25-E29 PolarHBondContact O-N 2.61Å |
| 26 | V | 87.1 | Confident | 84.8 | Confident | 56 Ų | 56 | 46.8 Ų | 46.8 | 34% | 0.339 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.9 | -37.4 | 175 | 172.5 | 0 | 0 | 0 | 0 | 111.7 | E22 S23 Y24 E29 K30 | E22-V26 WeakPolarHBondContact O-CG2 3.15Å; E22-V26 PolarHBondContact O-N 2.99Å; S23-V26 PolarHBondContact O-N 3.44Å; Y24-V26 VanDerWaalsContact C-N 3.34Å; Y24-V26 PolarHBondContact O-N 2.88Å; V26-E29 PolarHBondContact O-N 3.44Å; V26-K30 HydrophobicContact CG1-CD 4.25Å; V26-K30 WeakPolarHBondContact O-CB 3.47Å; V26-K30 WeakPolarHBondContact O-CG 3.27Å; V26-K30 PolarHBondContact O-N 3.22Å |
| 27 | I | 88.6 | Confident | 85.5 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.4 | -46.8 | 175.4 | -69.9 | 159.7 | 0 | 0 | 0 | 110.5 | S23 Y24 S25 K30 L31 F102 Y132 L135 L143 | S23-I27 WeakPolarHBondContact O-CG1 3.36Å; S23-I27 PolarHBondContact O-N 3.13Å; Y24-I27 HydrophobicContact CD1-CD1 3.71Å; Y24-I27 HydrophobicContact CE1-CD1 4.22Å; Y24-I27 WeakPolarHBondContact O-CB 3.18Å; Y24-I27 PolarHBondContact O-N 3.11Å; S25-I27 VanDerWaalsContact C-N 3.35Å; I27-K30 PolarHBondContact O-N 2.91Å; I27-L31 HydrophobicContact CG2-CD1 4.05Å; I27-L31 WeakPolarHBondContact O-CG 3.49Å; I27-L31 PolarHBondContact O-N 2.99Å; I27-F102 HydrophobicContact CG2-CZ 4.31Å; I27-Y132 HydrophobicContact CG1-CD1 3.85Å; I27-Y132 HydrophobicContact CG1-CE1 3.9Å; I27-L135 HydrophobicContact CD1-CD1 3.53Å; I27-L135 HydrophobicContact CD1-CD2 4.48Å; I27-L135 HydrophobicContact CG1-CD1 4.34Å; I27-L135 HydrophobicContact CG2-CD2 4.02Å; I27-L143 HydrophobicContact CG2-CD2 3.93Å |
| 28 | I | 92.6 | Very high | 86.1 | Confident | 44 Ų | 44 | 50 Ų | 50 | 23% | 0.226 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 177.5 | -67.8 | 165.3 | 0 | 0 | 0 | 110.3 | Y24 S25 K30 L31 D32 L143 | Y24-I28 VanDerWaalsContact O-CG1 3.3Å; Y24-I28 WeakPolarHBondContact O-CG1 3.44Å; Y24-I28 PolarHBondContact O-N 3.12Å; S25-I28 PolarHBondContact O-N 2.99Å; I28-K30 VanDerWaalsContact C-N 3.28Å; I28-K30 PolarHBondContact O-N 3.33Å; I28-L31 WeakPolarHBondContact O-CB 3.44Å; I28-L31 PolarHBondContact O-N 3.26Å; I28-L31 VanDerWaalsContact O-N 3.11Å; I28-D32 WeakPolarHBondContact O-CB 3.4Å; I28-D32 PolarHBondContact O-N 3.17Å; I28-L143 HydrophobicContact CD1-CD1 4.36Å; I28-L143 HydrophobicContact CD1-CD2 4.37Å; I28-L143 HydrophobicContact CD1-CG 4.31Å; I28-L143 HydrophobicContact CG1-CD2 3.79Å; I28-L143 HydrophobicContact CG1-CG 4.21Å |
| 29 | E | 93 | Very high | 86.2 | Confident | 133 Ų | 133 | 52.1 Ų | 52.1 | 62% | 0.621 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -58.4 | -40.2 | 177.3 | -174.5 | -176.8 | 180 | 0 | 0 | 112.1 | S25 V26 D32 D33 | S25-E29 WeakPolarHBondContact O-CB 3.42Å; S25-E29 PolarHBondContact O-N 2.61Å; V26-E29 PolarHBondContact O-N 3.44Å; E29-D32 PolarHBondContact O-N 3.21Å; E29-D33 WeakPolarHBondContact O-CB 3.25Å; E29-D33 PolarHBondContact O-N 2.91Å |
| 30 | K | 92 | Very high | 86.4 | Confident | 55 Ų | 55 | 54 Ų | 54 | 24% | 0.239 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.1 | -37.2 | 175.9 | -76.7 | 179.2 | 167.7 | -68.3 | 0 | 113.1 | V26 I27 I28 D34 N100 F102 Y132 | V26-K30 HydrophobicContact CG1-CD 4.25Å; V26-K30 WeakPolarHBondContact O-CB 3.47Å; V26-K30 WeakPolarHBondContact O-CG 3.27Å; V26-K30 PolarHBondContact O-N 3.22Å; I27-K30 PolarHBondContact O-N 2.91Å; I28-K30 VanDerWaalsContact C-N 3.28Å; I28-K30 PolarHBondContact O-N 3.33Å; K30-D34 PolarHBondContact O-N 2.81Å; K30-N100 HydrophobicContact CB-CB 4.18Å; K30-N100 PolarHBondContact NZ-OD1 3.18Å; K30-N100 PolarHBondContact O-ND2 3.03Å; K30-F102 HydrophobicContact CB-CE2 3.87Å; K30-F102 HydrophobicContact CB-CZ 4.39Å; K30-Y132 HydrophobicContact CD-CD1 4.08Å; K30-Y132 HydrophobicContact CD-CD2 4.33Å; K30-Y132 HydrophobicContact CD-CE1 3.86Å; K30-Y132 HydrophobicContact CD-CE2 4.11Å; K30-Y132 HydrophobicContact CD-CG 4.31Å |
| 31 | L | 93.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.2 | -50 | 172.4 | -76.9 | 162.8 | 0 | 0 | 0 | 109.4 | I27 I28 D33 D34 F35 F102 L107 Y110 V140 | I27-L31 HydrophobicContact CG2-CD1 4.05Å; I27-L31 WeakPolarHBondContact O-CG 3.49Å; I27-L31 PolarHBondContact O-N 2.99Å; I28-L31 WeakPolarHBondContact O-CB 3.44Å; I28-L31 PolarHBondContact O-N 3.26Å; I28-L31 VanDerWaalsContact O-N 3.11Å; L31-D33 VanDerWaalsContact C-N 3.3Å; L31-D33 PolarHBondContact O-N 3.21Å; L31-D34 PolarHBondContact O-N 3.45Å; L31-D34 VanDerWaalsContact O-N 3.11Å; L31-F35 VanDerWaalsContact O-CD2 3.26Å; L31-F35 WeakPolarHBondContact O-CD2 3.12Å; L31-F35 PolarHBondContact O-N 3.17Å; L31-F102 HydrophobicContact CD1-CZ 4.36Å; L31-F102 HydrophobicContact CD2-CD1 3.8Å; L31-F102 HydrophobicContact CD2-CD2 3.77Å; L31-F102 HydrophobicContact CD2-CE1 3.79Å; L31-F102 HydrophobicContact CD2-CE2 3.75Å; L31-F102 HydrophobicContact CD2-CG 3.79Å; L31-F102 HydrophobicContact CD2-CZ 3.77Å; L31-F102 HydrophobicContact CG-CD2 4.27Å; L31-F102 HydrophobicContact CG-CE1 4.03Å; L31-F102 HydrophobicContact CG-CE2 3.73Å; L31-F102 HydrophobicContact CG-CZ 3.61Å; L31-L107 HydrophobicContact CD2-CD2 4.23Å; L31-Y110 HydrophobicContact CB-CD1 4.05Å; L31-Y110 HydrophobicContact CB-CD2 4.39Å; L31-Y110 HydrophobicContact CB-CE1 3.86Å; L31-Y110 HydrophobicContact CB-CE2 4.23Å; L31-Y110 HydrophobicContact CB-CG 4.3Å; L31-Y110 HydrophobicContact CD1-CD2 3.75Å; L31-Y110 HydrophobicContact CD1-CE2 3.9Å; L31-Y110 HydrophobicContact CD1-CG 4.22Å; L31-Y110 HydrophobicContact CD2-CG 4.27Å; L31-Y110 HydrophobicContact CG-CD2 4.47Å; L31-V140 HydrophobicContact CD1-CG1 4.05Å; L31-V140 HydrophobicContact CD1-CG2 4.48Å; L31-V140 HydrophobicContact CD2-CG1 4.37Å |
| 32 | D | 94 | Very high | 86.2 | Confident | 63 Ų | 63 | 56.5 Ų | 56.5 | 34% | 0.337 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.6 | -37.8 | 178 | -70.2 | -21.7 | 0 | 0 | 0 | 112.2 | I28 E29 D34 F35 Q36 Y110 | I28-D32 WeakPolarHBondContact O-CB 3.4Å; I28-D32 PolarHBondContact O-N 3.17Å; E29-D32 PolarHBondContact O-N 3.21Å; D32-D34 VanDerWaalsContact C-N 3.33Å; D32-D34 PolarHBondContact O-N 3.46Å; D32-F35 CarbonylContact O-C 3.55Å; D32-F35 WeakPolarHBondContact O-CA 3.41Å; D32-F35 WeakPolarHBondContact O-CB 3.49Å; D32-F35 PolarHBondContact O-N 3.42Å; D32-Q36 WeakPolarHBondContact O-CG 3.33Å; D32-Q36 PolarHBondContact O-N 3.5Å; D32-Y110 WeakPolarHBondContact OD1-CE1 3.41Å; D32-Y110 PolarHBondContact OD1-OH 3.37Å |
| 33 | D | 91.7 | Very high | 86 | Confident | 52 Ų | 52 | 55.5 Ų | 55.5 | 28% | 0.278 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.3 | -39 | 175.1 | -178 | 56 | 0 | 0 | 0 | 112.1 | E29 L31 F35 Q36 K66 N100 | E29-D33 WeakPolarHBondContact O-CB 3.25Å; E29-D33 PolarHBondContact O-N 2.91Å; L31-D33 VanDerWaalsContact C-N 3.3Å; L31-D33 PolarHBondContact O-N 3.21Å; D33-F35 PolarHBondContact O-N 3.23Å; D33-Q36 PolarHBondContact O-N 3.18Å; D33-K66 PolarHBondContact O-NZ 3.19Å; D33-K66 VanDerWaalsContact OD1-CE 3.27Å; D33-K66 WeakPolarHBondContact OD1-CE 2.98Å; D33-K66 IonicContact OD1-NZ 2.87Å; D33-K66 PolarHBondContact OD1-NZ 2.86Å; D33-K66 IonicContact OD2-NZ 3.78Å; D33-N100 PolarHBondContact OD2-ND2 3.18Å |
| 34 | D | 91.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.6 | -21.2 | 174.1 | -81.6 | -10.2 | 0 | 0 | 0 | 112.4 | K30 L31 D32 L68 T98 N100 L107 | K30-D34 PolarHBondContact O-N 2.81Å; L31-D34 PolarHBondContact O-N 3.45Å; L31-D34 VanDerWaalsContact O-N 3.11Å; D32-D34 VanDerWaalsContact C-N 3.33Å; D32-D34 PolarHBondContact O-N 3.46Å; D34-L68 WeakPolarHBondContact O-CD2 3.49Å; D34-T98 WeakPolarHBondContact OD2-CB 3.38Å; D34-T98 VanDerWaalsContact OD2-CG2 3.31Å; D34-T98 WeakPolarHBondContact OD2-CG2 3.47Å; D34-T98 PolarHBondContact OD2-OG1 3.17Å; D34-N100 PolarHBondContact OD1-ND2 3.06Å; D34-L107 HydrophobicContact CB-CD2 4.02Å |
| 35 | F | 90.3 | Very high | 85.2 | Confident | 55 Ų | 55 | 56.5 Ų | 56.5 | 24% | 0.241 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -88.5 | -19.7 | 174.8 | -79.5 | -110.8 | 0 | 0 | 0 | 113.7 | L31 D32 D33 L37 V76 L107 Y110 K111 | L31-F35 VanDerWaalsContact O-CD2 3.26Å; L31-F35 WeakPolarHBondContact O-CD2 3.12Å; L31-F35 PolarHBondContact O-N 3.17Å; D32-F35 CarbonylContact O-C 3.55Å; D32-F35 WeakPolarHBondContact O-CA 3.41Å; D32-F35 WeakPolarHBondContact O-CB 3.49Å; D32-F35 PolarHBondContact O-N 3.42Å; D33-F35 PolarHBondContact O-N 3.23Å; F35-L37 PolarHBondContact O-N 3.48Å; F35-L37 VanDerWaalsContact O-N 3.15Å; F35-V76 HydrophobicContact CB-CG1 4.42Å; F35-V76 HydrophobicContact CD1-CG1 4.1Å; F35-V76 HydrophobicContact CD2-CG2 4.34Å; F35-V76 HydrophobicContact CE2-CG2 4.37Å; F35-V76 HydrophobicContact CG-CG1 4.24Å; F35-V76 HydrophobicContact CG-CG2 4.43Å; F35-V76 HydrophobicContact CZ-CG2 4.47Å; F35-L107 HydrophobicContact CD2-CD2 4.43Å; F35-L107 HydrophobicContact CE2-CB 4.29Å; F35-L107 HydrophobicContact CE2-CD2 3.81Å; F35-L107 HydrophobicContact CZ-CB 4.46Å; F35-Y110 HydrophobicContact CD2-CD1 4.17Å; F35-Y110 AromaticContact CE2-CD1 3.59Å; F35-Y110 HydrophobicContact CE2-CD1 3.59Å; F35-Y110 HydrophobicContact CE2-CE1 4.33Å; F35-Y110 AromaticContact CZ-CD1 3.9Å; F35-Y110 HydrophobicContact CZ-CD1 3.9Å; F35-K111 HydrophobicContact CE1-CB 4.01Å; F35-K111 HydrophobicContact CE1-CD 3.99Å; F35-K111 HydrophobicContact CE1-CG 4.05Å; F35-K111 HydrophobicContact CZ-CB 3.99Å |
| 36 | Q | 88.5 | Confident | 84.8 | Confident | 128 Ų | 128 | 57.6 Ų | 57.6 | 60% | 0.598 | 31% | 0.306 | S | S | * | . | trans | -80.7 | 94.2 | 177.6 | -71.3 | 177.9 | 28.4 | 0 | 0 | 111.3 | D32 D33 K66 | D32-Q36 WeakPolarHBondContact O-CG 3.33Å; D32-Q36 PolarHBondContact O-N 3.5Å; D33-Q36 PolarHBondContact O-N 3.18Å; Q36-K66 PolarHBondContact O-NZ 2.92Å | ||
| 37 | L | 83.3 | Confident | 84.3 | Confident | 27 Ų | 27 | 59.9 Ų | 59.9 | 14% | 0.141 | 32% | 0.315 | C | S | . | . | trans | -104.9 | 146.7 | 173.8 | -64 | 171.1 | 0 | 0 | 0 | 111 | F35 L45 T64 L73 V76 C77 | F35-L37 PolarHBondContact O-N 3.48Å; F35-L37 VanDerWaalsContact O-N 3.15Å; L37-L45 HydrophobicContact CD1-CD1 4.27Å; L37-T64 HydrophobicContact CD2-CG2 4.19Å; L37-L73 HydrophobicContact CD1-CD2 3.68Å; L37-L73 HydrophobicContact CD2-CD2 4.2Å; L37-V76 HydrophobicContact CD1-CG1 3.87Å; L37-V76 HydrophobicContact CG-CG1 4.5Å; L37-C77 WeakPolarHBondContact CD1-SG 3.37Å | ||
| 38 | P | 81.9 | Confident | 83.7 | Confident | 81 Ų | 81 | 60 Ų | 60 | 53% | 0.526 | 32% | 0.317 | S | S | . | . | trans | -63.1 | 140 | 174.3 | 23.3 | -29.4 | 0 | 0 | 0 | 110.8 | S40 A41 L42 | P38-S40 PolarHBondContact O-N 3.29Å; P38-S40 VanDerWaalsContact O-N 3.11Å; P38-A41 HydrophobicContact CG-CB 3.86Å; P38-A41 WeakPolarHBondContact O-CB 3.41Å; P38-A41 PolarHBondContact O-N 3.37Å; P38-L42 PolarHBondContact O-N 3.48Å | ||
| 39 | E | 77.3 | Confident | 83.1 | Confident | 174 Ų | 174 | 58.9 Ų | 58.9 | 81% | 0.813 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -53 | -37.7 | -174.4 | -71.6 | -175.6 | 168.6 | 0 | 0 | 113.2 | A41 L42 A43 | E39-A41 PolarHBondContact O-N 3.02Å; E39-L42 PolarHBondContact O-N 3.08Å; E39-A43 PolarHBondContact O-N 3.14Å |
| 40 | S | 75.3 | Confident | 82.4 | Confident | 72 Ų | 72 | 56.7 Ų | 56.7 | 50% | 0.503 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63 | -40 | 177.2 | 59.3 | 0 | 0 | 0 | 0 | 112.7 | P38 D44 | P38-S40 PolarHBondContact O-N 3.29Å; P38-S40 VanDerWaalsContact O-N 3.11Å; S40-D44 PolarHBondContact O-N 2.91Å |
| 41 | A | 74.8 | Confident | 81.6 | Confident | 6 Ų | 6 | 56.3 Ų | 56.3 | 5% | 0.05 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -72.8 | -34.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | P38 E39 L45 | P38-A41 HydrophobicContact CG-CB 3.86Å; P38-A41 WeakPolarHBondContact O-CB 3.41Å; P38-A41 PolarHBondContact O-N 3.37Å; E39-A41 PolarHBondContact O-N 3.02Å; A41-L45 VanDerWaalsContact O-CB 3.31Å; A41-L45 WeakPolarHBondContact O-CB 3.2Å; A41-L45 WeakPolarHBondContact O-CD1 3.4Å; A41-L45 WeakPolarHBondContact O-CG 3.45Å; A41-L45 PolarHBondContact O-N 3.38Å |
| 42 | L | 76.9 | Confident | 80.6 | Confident | 61 Ų | 61 | 61.5 Ų | 61.5 | 32% | 0.319 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.9 | -43.1 | 177.7 | -169.6 | 66.5 | 0 | 0 | 0 | 111.4 | P38 E39 L45 H46 C77 | P38-L42 PolarHBondContact O-N 3.48Å; E39-L42 PolarHBondContact O-N 3.08Å; L42-L45 PolarHBondContact O-N 3.23Å; L42-H46 WeakPolarHBondContact O-CB 3.07Å; L42-H46 PolarHBondContact O-CD2 3.42Å; L42-H46 PolarHBondContact O-N 3.13Å; L42-C77 HydrophobicContact CD1-CB 4.22Å |
| 43 | A | 77 | Confident | 79.5 | Confident | 59 Ų | 59 | 64.6 Ų | 64.6 | 49% | 0.488 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.5 | -46.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E39 L45 H46 L47 | E39-A43 PolarHBondContact O-N 3.14Å; A43-L45 VanDerWaalsContact C-N 3.35Å; A43-L45 PolarHBondContact O-N 3.02Å; A43-H46 PolarHBondContact O-N 3.5Å; A43-L47 PolarHBondContact O-N 2.93Å |
| 44 | D | 75.1 | Confident | 78.6 | Confident | 40 Ų | 40 | 62.9 Ų | 62.9 | 21% | 0.214 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65 | -38.9 | 178.5 | -71.3 | -21 | 0 | 0 | 0 | 111.6 | S40 L47 A48 | S40-D44 PolarHBondContact O-N 2.91Å; D44-L47 PolarHBondContact O-N 3.45Å; D44-A48 WeakPolarHBondContact O-CB 3.35Å; D44-A48 PolarHBondContact O-N 3.08Å |
| 45 | L | 78.6 | Confident | 77.8 | Confident | 11 Ų | 11 | 63.2 Ų | 63.2 | 6% | 0.058 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -69.9 | -40.5 | 176.6 | -72.8 | 168.2 | 0 | 0 | 0 | 112.2 | L37 A41 L42 A43 L47 A48 F49 L73 | L37-L45 HydrophobicContact CD1-CD1 4.27Å; A41-L45 VanDerWaalsContact O-CB 3.31Å; A41-L45 WeakPolarHBondContact O-CB 3.2Å; A41-L45 WeakPolarHBondContact O-CD1 3.4Å; A41-L45 WeakPolarHBondContact O-CG 3.45Å; A41-L45 PolarHBondContact O-N 3.38Å; L42-L45 PolarHBondContact O-N 3.23Å; A43-L45 VanDerWaalsContact C-N 3.35Å; A43-L45 PolarHBondContact O-N 3.02Å; L45-L47 VanDerWaalsContact C-N 3.32Å; L45-L47 PolarHBondContact O-N 2.86Å; L45-A48 WeakPolarHBondContact O-CB 3.12Å; L45-A48 PolarHBondContact O-N 2.72Å; L45-F49 HydrophobicContact CB-CD2 4.32Å; L45-F49 HydrophobicContact CB-CE2 4.09Å; L45-F49 HydrophobicContact CD2-CE2 4.21Å; L45-F49 WeakPolarHBondContact O-CD2 3.34Å; L45-F49 WeakPolarHBondContact O-CG 3.35Å; L45-F49 PolarHBondContact O-N 3.27Å; L45-L73 HydrophobicContact CD1-CB 4.44Å; L45-L73 HydrophobicContact CD1-CD1 3.93Å; L45-L73 HydrophobicContact CD1-CD2 3.9Å; L45-L73 HydrophobicContact CD1-CG 4.31Å; L45-L73 HydrophobicContact CD2-CD1 3.89Å |
| 46 | H | 78.2 | Confident | 77 | Confident | 92 Ų | 92 | 67.2 Ų | 67.2 | 43% | 0.426 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 174 | -79.5 | -52.9 | 0 | 0 | 0 | 111.8 | L42 A43 F49 S50 C77 | L42-H46 WeakPolarHBondContact O-CB 3.07Å; L42-H46 PolarHBondContact O-CD2 3.42Å; L42-H46 PolarHBondContact O-N 3.13Å; A43-H46 PolarHBondContact O-N 3.5Å; H46-F49 CarbonylContact O-C 3.45Å; H46-F49 PolarHBondContact O-N 3.04Å; H46-S50 VanDerWaalsContact O-CB 3.28Å; H46-S50 WeakPolarHBondContact O-CB 3.38Å; H46-S50 PolarHBondContact O-N 3.15Å; H46-C77 PolarHBondContact CE1-O 3.18Å; H46-C77 PolarHBondContact ND1-O 2.93Å |
| 47 | L | 76.1 | Confident | 76.2 | Confident | 104 Ų | 104 | 65.3 Ų | 65.3 | 55% | 0.545 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62 | -45.5 | 173.6 | -174.6 | 66.7 | 0 | 0 | 0 | 110.8 | A43 D44 L45 F49 S50 | A43-L47 PolarHBondContact O-N 2.93Å; D44-L47 PolarHBondContact O-N 3.45Å; L45-L47 VanDerWaalsContact C-N 3.32Å; L45-L47 PolarHBondContact O-N 2.86Å; L47-F49 VanDerWaalsContact C-N 3.27Å; L47-F49 PolarHBondContact O-N 3.46Å; L47-S50 WeakPolarHBondContact CA-OG 3.38Å; L47-S50 PolarHBondContact O-N 3.21Å; L47-S50 VanDerWaalsContact O-N 3.08Å; L47-S50 PolarHBondContact O-OG 2.89Å |
| 48 | A | 76.5 | Confident | 75.8 | Confident | 4 Ų | 4 | 64.5 Ų | 64.5 | 3% | 0.033 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.5 | -35.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D44 L45 F55 V58 M801 | D44-A48 WeakPolarHBondContact O-CB 3.35Å; D44-A48 PolarHBondContact O-N 3.08Å; L45-A48 WeakPolarHBondContact O-CB 3.12Å; L45-A48 PolarHBondContact O-N 2.72Å; A48-F55 WeakPolarHBondContact O-CA 3.22Å; A48-F55 WeakPolarHBondContact O-CB 3.4Å; A48-F55 PolarHBondContact O-N 3.02Å; A48-V58 HydrophobicContact CB-CG2 3.9Å; A48-M801 HydrophobicContact CB-CE 3.95Å |
| 49 | F | 80.4 | Confident | 75.7 | Confident | 20 Ų | 20 | 63.2 Ų | 63.2 | 9% | 0.088 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -89.2 | -3.1 | 177 | -63.2 | -54.9 | 0 | 0 | 0 | 113.8 | L45 H46 L47 F55 L73 C74 C77 H83 | L45-F49 HydrophobicContact CB-CD2 4.32Å; L45-F49 HydrophobicContact CB-CE2 4.09Å; L45-F49 HydrophobicContact CD2-CE2 4.21Å; L45-F49 WeakPolarHBondContact O-CD2 3.34Å; L45-F49 WeakPolarHBondContact O-CG 3.35Å; L45-F49 PolarHBondContact O-N 3.27Å; H46-F49 CarbonylContact O-C 3.45Å; H46-F49 PolarHBondContact O-N 3.04Å; L47-F49 VanDerWaalsContact C-N 3.27Å; L47-F49 PolarHBondContact O-N 3.46Å; F49-F55 AromaticContact CD1-CD2 3.91Å; F49-F55 HydrophobicContact CD1-CD2 3.91Å; F49-F55 AromaticContact CD1-CE2 3.7Å; F49-F55 HydrophobicContact CD1-CE2 3.7Å; F49-F55 HydrophobicContact CE1-CD2 4.15Å; F49-F55 AromaticContact CE1-CE2 3.53Å; F49-F55 HydrophobicContact CE1-CE2 3.53Å; F49-F55 HydrophobicContact CE1-CZ 4.43Å; F49-L73 HydrophobicContact CE2-CB 4.42Å; F49-L73 HydrophobicContact CZ-CB 4.25Å; F49-C74 WeakPolarHBondContact CE1-SG 2.94Å; F49-C74 HydrophobicContact CZ-CB 4.5Å; F49-C77 HydrophobicContact CD2-CB 4.22Å; F49-C77 HydrophobicContact CE2-CB 4.01Å; F49-H83 HydrophobicContact CD1-CB 4.44Å; F49-H83 AromaticContact CD1-ND1 3.75Å; F49-H83 PolarHBondContact O-CE1 3.01Å |
| 50 | S | 76.9 | Confident | 75.8 | Confident | 87 Ų | 87 | 57 Ų | 57 | 61% | 0.608 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -89.5 | -15 | 180 | 69.5 | 0 | 0 | 0 | 0 | 114.5 | H46 L47 | H46-S50 VanDerWaalsContact O-CB 3.28Å; H46-S50 WeakPolarHBondContact O-CB 3.38Å; H46-S50 PolarHBondContact O-N 3.15Å; L47-S50 WeakPolarHBondContact CA-OG 3.38Å; L47-S50 PolarHBondContact O-N 3.21Å; L47-S50 VanDerWaalsContact O-N 3.08Å; L47-S50 PolarHBondContact O-OG 2.89Å |
| 51 | S | 77 | Confident | 76.1 | Confident | 47 Ų | 47 | 58.9 Ų | 58.9 | 33% | 0.329 | 32% | 0.321 | S | S | . | . | trans | -143.5 | 131.1 | -177.1 | 169 | 0 | 0 | 0 | 0 | 111.2 | E53 A54 F55 | S51-E53 PolarHBondContact O-N 3.21Å; S51-E53 PolarHBondContact OG-N 2.91Å; S51-A54 PolarHBondContact O-N 3.11Å; S51-A54 VanDerWaalsContact O-N 3.14Å; S51-F55 WeakPolarHBondContact O-CB 3.31Å; S51-F55 PolarHBondContact O-N 3.24Å | ||
| 52 | D | 71.1 | Confident | 76.4 | Confident | 109 Ų | 109 | 59.6 Ų | 59.6 | 58% | 0.583 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -58.8 | -34 | 175.9 | -73.4 | -25.5 | 0 | 0 | 0 | 112.1 | F55 Q56 | D52-F55 PolarHBondContact O-N 2.86Å; D52-Q56 WeakPolarHBondContact O-CG 3.35Å; D52-Q56 PolarHBondContact O-N 3.38Å |
| 53 | E | 72.2 | Confident | 76.7 | Confident | 128 Ų | 128 | 62.3 Ų | 62.3 | 60% | 0.598 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -68.5 | -40.9 | 176.8 | -68.8 | -174.6 | 172.7 | 0 | 0 | 112.1 | S51 F55 K57 | S51-E53 PolarHBondContact O-N 3.21Å; S51-E53 PolarHBondContact OG-N 2.91Å; E53-F55 VanDerWaalsContact C-N 3.35Å; E53-K57 WeakPolarHBondContact O-CG 3.05Å |
| 54 | A | 71 | Confident | 77 | Confident | 16 Ų | 16 | 60.3 Ų | 60.3 | 13% | 0.132 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67 | -41.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | S51 Q56 K57 V58 M801 | S51-A54 PolarHBondContact O-N 3.11Å; S51-A54 VanDerWaalsContact O-N 3.14Å; A54-Q56 PolarHBondContact O-N 3.38Å; A54-K57 PolarHBondContact O-N 2.95Å; A54-V58 WeakPolarHBondContact O-CG2 3.41Å; A54-M801 HydrophobicContact CB-SD 4.24Å |
| 55 | F | 76.3 | Confident | 77.2 | Confident | 7 Ų | 7 | 66.6 Ų | 66.6 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.4 | -38.1 | -179.9 | -167.2 | -113 | 0 | 0 | 0 | 113.4 | A48 F49 S51 D52 E53 K57 V58 H83 T86 L87 | A48-F55 WeakPolarHBondContact O-CA 3.22Å; A48-F55 WeakPolarHBondContact O-CB 3.4Å; A48-F55 PolarHBondContact O-N 3.02Å; F49-F55 AromaticContact CD1-CD2 3.91Å; F49-F55 HydrophobicContact CD1-CD2 3.91Å; F49-F55 AromaticContact CD1-CE2 3.7Å; F49-F55 HydrophobicContact CD1-CE2 3.7Å; F49-F55 HydrophobicContact CE1-CD2 4.15Å; F49-F55 AromaticContact CE1-CE2 3.53Å; F49-F55 HydrophobicContact CE1-CE2 3.53Å; F49-F55 HydrophobicContact CE1-CZ 4.43Å; S51-F55 WeakPolarHBondContact O-CB 3.31Å; S51-F55 PolarHBondContact O-N 3.24Å; D52-F55 PolarHBondContact O-N 2.86Å; E53-F55 VanDerWaalsContact C-N 3.35Å; F55-K57 PolarHBondContact O-N 2.9Å; F55-V58 HydrophobicContact CD2-CG2 4.38Å; F55-V58 WeakPolarHBondContact O-CG2 3.48Å; F55-V58 PolarHBondContact O-N 3.1Å; F55-H83 AromaticContact CD1-CD2 3.76Å; F55-H83 AromaticContact CD2-CD2 4Å; F55-H83 HydrophobicContact CE1-CB 4.08Å; F55-H83 AromaticContact CE1-CD2 3.87Å; F55-H83 HydrophobicContact CE2-CB 4.17Å; F55-H83 AromaticContact CG-CD2 3.79Å; F55-H83 HydrophobicContact CZ-CB 3.68Å; F55-T86 HydrophobicContact CD1-CG2 4.32Å; F55-T86 HydrophobicContact CE1-CG2 3.88Å; F55-L87 HydrophobicContact CE1-CD2 4.41Å; F55-L87 HydrophobicContact CE1-CG 4.27Å; F55-L87 HydrophobicContact CE2-CD1 4.47Å; F55-L87 HydrophobicContact CE2-CD2 4.45Å; F55-L87 HydrophobicContact CZ-CD1 3.85Å; F55-L87 HydrophobicContact CZ-CD2 3.76Å; F55-L87 HydrophobicContact CZ-CG 3.59Å |
| 56 | Q | 73.1 | Confident | 77 | Confident | 139 Ų | 139 | 68.6 Ų | 68.6 | 65% | 0.65 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62.3 | -30.3 | 177.3 | -79.6 | -176 | 20.3 | 0 | 0 | 113.1 | D52 A54 K90 | D52-Q56 WeakPolarHBondContact O-CG 3.35Å; D52-Q56 PolarHBondContact O-N 3.38Å; A54-Q56 PolarHBondContact O-N 3.38Å; Q56-K90 PolarHBondContact O-NZ 2.92Å |
| 57 | K | 72.1 | Confident | 77.2 | Confident | 87 Ų | 87 | 64.9 Ų | 64.9 | 38% | 0.378 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -9.6 | -179.1 | -63.6 | 176 | -175.6 | 179.2 | 0 | 113.6 | E53 A54 F55 N59 | E53-K57 WeakPolarHBondContact O-CG 3.05Å; A54-K57 PolarHBondContact O-N 2.95Å; F55-K57 PolarHBondContact O-N 2.9Å; K57-N59 PolarHBondContact O-N 3.31Å |
| 58 | V | 73.9 | Confident | 77.8 | Confident | 11 Ų | 11 | 59.9 Ų | 59.9 | 7% | 0.067 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -70.3 | 131.7 | -177.9 | -169.2 | 0 | 0 | 0 | 0 | 110.5 | A48 A54 F55 V60 L70 M801 | A48-V58 HydrophobicContact CB-CG2 3.9Å; A54-V58 WeakPolarHBondContact O-CG2 3.41Å; F55-V58 HydrophobicContact CD2-CG2 4.38Å; F55-V58 WeakPolarHBondContact O-CG2 3.48Å; F55-V58 PolarHBondContact O-N 3.1Å; V58-V60 PolarHBondContact O-N 2.83Å; V58-V60 VanDerWaalsContact O-N 3.14Å; V58-L70 HydrophobicContact CB-CD1 4.25Å; V58-L70 HydrophobicContact CG1-CD1 3.52Å; V58-L70 HydrophobicContact CG1-CD2 3.61Å; V58-L70 HydrophobicContact CG1-CG 4.2Å; V58-M801 HydrophobicContact CG2-CE 4.34Å |
| 59 | N | 79.3 | Confident | 78.5 | Confident | 53 Ų | 53 | 60 Ų | 60 | 28% | 0.283 | 31% | 0.308 | S | S | . | . | trans | -67.5 | 110.9 | 175.9 | -178 | -5.6 | 0 | 0 | 0 | 110.6 | K57 N61 Y62 L70 | K57-N59 PolarHBondContact O-N 3.31Å; N59-N61 PolarHBondContact O-N 2.92Å; N59-N61 VanDerWaalsContact O-N 3.07Å; N59-N61 WeakPolarHBondContact OD1-CB 3.39Å; N59-N61 PolarHBondContact OD1-N 2.81Å; N59-Y62 WeakPolarHBondContact O-CB 3.27Å; N59-Y62 PolarHBondContact O-N 2.89Å; N59-L70 WeakPolarHBondContact O-CD1 3.45Å | ||
| 60 | V | 79.7 | Confident | 78.9 | Confident | 43 Ų | 43 | 59.1 Ų | 59.1 | 26% | 0.261 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -22.7 | 178.3 | -71.8 | 0 | 0 | 0 | 0 | 114.8 | V58 Y62 K90 L92 | V58-V60 PolarHBondContact O-N 2.83Å; V58-V60 VanDerWaalsContact O-N 3.14Å; V60-Y62 VanDerWaalsContact C-N 3.35Å; V60-K90 HydrophobicContact CG1-CB 4Å; V60-K90 HydrophobicContact CG1-CD 3.63Å; V60-K90 HydrophobicContact CG1-CG 4.45Å; V60-L92 HydrophobicContact CB-CD1 3.77Å; V60-L92 HydrophobicContact CG1-CD1 4Å |
| 61 | N | 81.4 | Confident | 79.6 | Confident | 113 Ų | 113 | 55.1 Ų | 55.1 | 60% | 0.604 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -2.7 | 177 | -65.5 | -46.1 | 0 | 0 | 0 | 113.4 | N59 R63 | N59-N61 PolarHBondContact O-N 2.92Å; N59-N61 VanDerWaalsContact O-N 3.07Å; N59-N61 WeakPolarHBondContact OD1-CB 3.39Å; N59-N61 PolarHBondContact OD1-N 2.81Å; N61-R63 PolarHBondContact O-N 2.93Å |
| 62 | Y | 82.4 | Confident | 80.3 | Confident | 21 Ų | 21 | 53 Ų | 53 | 8% | 0.082 | 26% | 0.26 | C | S | . | . | trans | -57.9 | 137.5 | 178 | 174.4 | -106.8 | 0 | 0 | 0 | 111.3 | N59 V60 T64 L70 L73 L794 I797 | N59-Y62 WeakPolarHBondContact O-CB 3.27Å; N59-Y62 PolarHBondContact O-N 2.89Å; V60-Y62 VanDerWaalsContact C-N 3.35Å; Y62-T64 HydrophobicContact CE1-CG2 4.23Å; Y62-L70 HydrophobicContact CD1-CD2 3.85Å; Y62-L73 HydrophobicContact CD1-CD1 4.1Å; Y62-L73 HydrophobicContact CE1-CD1 3.72Å; Y62-L794 HydrophobicContact CE2-CD1 3.72Å; Y62-L794 WeakPolarHBondContact OH-CD1 3.34Å; Y62-I797 HydrophobicContact CD1-CD1 4.21Å; Y62-I797 HydrophobicContact CD2-CD1 3.35Å; Y62-I797 HydrophobicContact CE2-CD1 3.89Å; Y62-I797 HydrophobicContact CG-CD1 3.53Å | ||
| 63 | R | 82.4 | Confident | 81.2 | Confident | 117 Ų | 117 | 47.8 Ų | 47.8 | 44% | 0.442 | 23% | 0.233 | S | C | . | . | B | Isolated β-bridge | trans | -141.4 | 142.9 | 173.4 | -61.5 | -175 | -169.8 | 142 | 12.3 | 110.2 | N61 L68 R96 | N61-R63 PolarHBondContact O-N 2.93Å; R63-L68 VanDerWaalsContact CA-O 3.23Å; R63-L68 WeakPolarHBondContact CA-O 3.42Å; R63-R96 VanDerWaalsContact NH2-NH1 3.12Å; R63-R96 VanDerWaalsContact NH2-NH2 3.18Å |
| 64 | T | 84 | Confident | 82 | Confident | 18 Ų | 18 | 41.7 Ų | 41.7 | 11% | 0.11 | 20% | 0.204 | C | C | . | . | trans | -70.3 | 167.6 | 169.6 | 67.9 | 0 | 0 | 0 | 0 | 110.8 | L37 Y62 K66 G67 L68 L73 | L37-T64 HydrophobicContact CD2-CG2 4.19Å; Y62-T64 HydrophobicContact CE1-CG2 4.23Å; T64-K66 PolarHBondContact O-N 3.37Å; T64-K66 PolarHBondContact OG1-N 3.06Å; T64-G67 WeakPolarHBondContact O-CA 3.41Å; T64-G67 PolarHBondContact O-N 2.91Å; T64-G67 PolarHBondContact OG1-N 3.21Å; T64-L68 HydrophobicContact CG2-CB 4.14Å; T64-L68 PolarHBondContact N-O 3.39Å; T64-L68 VanDerWaalsContact N-O 3.12Å; T64-L68 WeakPolarHBondContact OG1-CB 3.08Å; T64-L68 PolarHBondContact OG1-N 3.18Å; T64-L68 VanDerWaalsContact OG1-N 3.13Å; T64-L73 HydrophobicContact CG2-CD1 4.01Å; T64-L73 HydrophobicContact CG2-CD2 3.92Å; T64-L73 HydrophobicContact CG2-CG 4.46Å | ||
| 65 | E | 78 | Confident | 82.9 | Confident | 172 Ų | 172 | 40.9 Ų | 40.9 | 80% | 0.804 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -31.2 | 169.9 | -64.5 | -174 | 172 | 0 | 0 | 112 | G67 R99 | E65-G67 PolarHBondContact O-N 2.96Å; E65-R99 PolarHBondContact O-NE 3.43Å; E65-R99 VanDerWaalsContact O-NE 3.1Å; E65-R99 PolarHBondContact O-NH1 2.97Å; E65-R99 PolarHBondContact O-NH2 2.93Å; E65-R99 VanDerWaalsContact O-NH2 3.1Å |
| 66 | K | 74.6 | Confident | 83.5 | Confident | 52 Ų | 52 | 41.2 Ų | 41.2 | 23% | 0.226 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | 1.3 | 173.8 | -63.9 | -179.4 | 174.1 | -176.6 | 0 | 113.5 | D33 Q36 T64 L68 R99 | D33-K66 PolarHBondContact O-NZ 3.19Å; D33-K66 VanDerWaalsContact OD1-CE 3.27Å; D33-K66 WeakPolarHBondContact OD1-CE 2.98Å; D33-K66 IonicContact OD1-NZ 2.87Å; D33-K66 PolarHBondContact OD1-NZ 2.86Å; D33-K66 IonicContact OD2-NZ 3.78Å; Q36-K66 PolarHBondContact O-NZ 2.92Å; T64-K66 PolarHBondContact O-N 3.37Å; T64-K66 PolarHBondContact OG1-N 3.06Å; K66-L68 VanDerWaalsContact C-N 3.34Å; K66-L68 HydrophobicContact CB-CD1 3.5Å; K66-R99 VanDerWaalsContact O-CB 3.26Å; K66-R99 WeakPolarHBondContact O-CB 3.4Å; K66-R99 VanDerWaalsContact O-CG 3.25Å; K66-R99 WeakPolarHBondContact O-CG 3.24Å; K66-R99 PolarHBondContact O-N 3.05Å |
| 67 | G | 82.7 | Confident | 83.9 | Confident | 14 Ų | 14 | 34.9 Ų | 34.9 | 14% | 0.144 | 17% | 0.171 | C | C | . | . | trans | 79.3 | 10.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | T64 E65 S69 | T64-G67 WeakPolarHBondContact O-CA 3.41Å; T64-G67 PolarHBondContact O-N 2.91Å; T64-G67 PolarHBondContact OG1-N 3.21Å; E65-G67 PolarHBondContact O-N 2.96Å; G67-S69 PolarHBondContact O-N 2.94Å | ||
| 68 | L | 89.1 | Confident | 84 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -68.3 | 125.2 | 176.9 | -77.3 | 76.8 | 0 | 0 | 0 | 109.6 | D34 R63 T64 K66 H72 L73 V76 T98 | D34-L68 WeakPolarHBondContact O-CD2 3.49Å; R63-L68 VanDerWaalsContact CA-O 3.23Å; R63-L68 WeakPolarHBondContact CA-O 3.42Å; T64-L68 HydrophobicContact CG2-CB 4.14Å; T64-L68 PolarHBondContact N-O 3.39Å; T64-L68 VanDerWaalsContact N-O 3.12Å; T64-L68 WeakPolarHBondContact OG1-CB 3.08Å; T64-L68 PolarHBondContact OG1-N 3.18Å; T64-L68 VanDerWaalsContact OG1-N 3.13Å; K66-L68 VanDerWaalsContact C-N 3.34Å; K66-L68 HydrophobicContact CB-CD1 3.5Å; L68-H72 HydrophobicContact CB-CB 3.98Å; L68-H72 HydrophobicContact CD2-CB 4.16Å; L68-H72 HydrophobicContact CG-CB 4.02Å; L68-L73 HydrophobicContact CB-CD2 3.98Å; L68-L73 HydrophobicContact CB-CG 4.1Å; L68-L73 HydrophobicContact CD2-CD2 3.77Å; L68-V76 HydrophobicContact CD2-CG2 4.01Å; L68-T98 HydrophobicContact CD1-CG2 4.25Å; L68-T98 HydrophobicContact CG-CG2 3.95Å | ||
| 69 | S | 91 | Very high | 84.3 | Confident | 6 Ų | 6 | 32.6 Ų | 32.6 | 4% | 0.042 | 17% | 0.174 | C | C | . | . | B | Isolated β-bridge | trans | -77.5 | 167.4 | 167.8 | 68.4 | 0 | 0 | 0 | 0 | 111.2 | G67 L71 H72 L73 | G67-S69 PolarHBondContact O-N 2.94Å; S69-L71 PolarHBondContact O-N 3.49Å; S69-L71 VanDerWaalsContact O-N 3.13Å; S69-L71 PolarHBondContact OG-N 3.23Å; S69-H72 PolarHBondContact N-ND1 3.42Å; S69-H72 WeakPolarHBondContact O-CB 3.36Å; S69-H72 PolarHBondContact O-N 2.94Å; S69-H72 PolarHBondContact OG-ND1 3.02Å; S69-L73 WeakPolarHBondContact O-CG 3.35Å; S69-L73 PolarHBondContact O-N 3.47Å |
| 70 | L | 88.8 | Confident | 84.6 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -53.6 | -33.1 | 173 | -68.3 | 177 | 0 | 0 | 0 | 113.6 | V58 N59 Y62 L73 C74 L87 L92 | V58-L70 HydrophobicContact CB-CD1 4.25Å; V58-L70 HydrophobicContact CG1-CD1 3.52Å; V58-L70 HydrophobicContact CG1-CD2 3.61Å; V58-L70 HydrophobicContact CG1-CG 4.2Å; N59-L70 WeakPolarHBondContact O-CD1 3.45Å; Y62-L70 HydrophobicContact CD1-CD2 3.85Å; L70-L73 HydrophobicContact CD2-CD1 4.33Å; L70-L73 PolarHBondContact O-N 3.07Å; L70-C74 PolarHBondContact O-N 3.37Å; L70-C74 PolarHBondContact O-SG 3.24Å; L70-C74 VanDerWaalsContact O-SG 3.35Å; L70-L87 HydrophobicContact CB-CD1 3.83Å; L70-L87 HydrophobicContact CB-CD2 3.96Å; L70-L87 HydrophobicContact CD1-CD2 3.87Å; L70-L92 HydrophobicContact CB-CD2 4.03Å |
| 71 | L | 90.8 | Very high | 84.9 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.3 | -38.7 | 177.4 | -169.8 | 65.4 | 0 | 0 | 0 | 111.9 | S69 C74 T84 L87 M88 L92 P94 A104 L120 | S69-L71 PolarHBondContact O-N 3.49Å; S69-L71 VanDerWaalsContact O-N 3.13Å; S69-L71 PolarHBondContact OG-N 3.23Å; L71-C74 PolarHBondContact O-N 3.41Å; L71-T84 HydrophobicContact CD1-CG2 4.1Å; L71-L87 HydrophobicContact CB-CD1 4.49Å; L71-L87 HydrophobicContact CD1-CB 4.31Å; L71-L87 HydrophobicContact CD1-CD1 4.38Å; L71-M88 HydrophobicContact CD1-CE 4.2Å; L71-M88 HydrophobicContact CD1-CG 4.44Å; L71-M88 HydrophobicContact CD2-CE 4.14Å; L71-L92 HydrophobicContact CB-CD2 3.95Å; L71-P94 HydrophobicContact CD2-CB 4.23Å; L71-A104 HydrophobicContact CD2-CB 4.13Å; L71-A104 HydrophobicContact CG-CB 3.85Å; L71-L120 HydrophobicContact CD1-CD2 4.15Å; L71-L120 HydrophobicContact CD2-CD2 4.34Å; L71-L120 HydrophobicContact CG-CD2 4.31Å |
| 72 | H | 92.8 | Very high | 85.1 | Confident | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.009 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66 | -42.2 | 171.7 | -62.6 | 99.5 | 0 | 0 | 0 | 111.1 | L68 S69 C74 C75 V76 R96 T98 F102 A104 L107 | L68-H72 HydrophobicContact CB-CB 3.98Å; L68-H72 HydrophobicContact CD2-CB 4.16Å; L68-H72 HydrophobicContact CG-CB 4.02Å; S69-H72 PolarHBondContact N-ND1 3.42Å; S69-H72 WeakPolarHBondContact O-CB 3.36Å; S69-H72 PolarHBondContact O-N 2.94Å; S69-H72 PolarHBondContact OG-ND1 3.02Å; H72-C74 VanDerWaalsContact C-N 3.28Å; H72-C74 PolarHBondContact O-N 3.29Å; H72-C75 WeakPolarHBondContact O-CB 3.33Å; H72-C75 PolarHBondContact O-N 3.19Å; H72-V76 PolarHBondContact O-N 3.43Å; H72-R96 PolarHBondContact CE1-O 3.4Å; H72-R96 PolarHBondContact NE2-O 2.89Å; H72-R96 VanDerWaalsContact NE2-O 3.09Å; H72-T98 HydrophobicContact CB-CG2 4.46Å; H72-T98 VanDerWaalsContact CD2-CG2 3.44Å; H72-T98 WeakPolarHBondContact CD2-CG2 3.36Å; H72-F102 PolarHBondContact NE2-O 2.83Å; H72-A104 PolarHBondContact CD2-N 3.12Å; H72-A104 PolarHBondContact NE2-N 3.18Å; H72-L107 HydrophobicContact CB-CD1 3.86Å |
| 73 | L | 89.7 | Confident | 85.4 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66 | -29 | 179.8 | -63.9 | 169.4 | 0 | 0 | 0 | 112.4 | L37 L45 F49 Y62 T64 L68 S69 L70 C75 V76 C77 | L37-L73 HydrophobicContact CD1-CD2 3.68Å; L37-L73 HydrophobicContact CD2-CD2 4.2Å; L45-L73 HydrophobicContact CD1-CB 4.44Å; L45-L73 HydrophobicContact CD1-CD1 3.93Å; L45-L73 HydrophobicContact CD1-CD2 3.9Å; L45-L73 HydrophobicContact CD1-CG 4.31Å; L45-L73 HydrophobicContact CD2-CD1 3.89Å; F49-L73 HydrophobicContact CE2-CB 4.42Å; F49-L73 HydrophobicContact CZ-CB 4.25Å; Y62-L73 HydrophobicContact CD1-CD1 4.1Å; Y62-L73 HydrophobicContact CE1-CD1 3.72Å; T64-L73 HydrophobicContact CG2-CD1 4.01Å; T64-L73 HydrophobicContact CG2-CD2 3.92Å; T64-L73 HydrophobicContact CG2-CG 4.46Å; L68-L73 HydrophobicContact CB-CD2 3.98Å; L68-L73 HydrophobicContact CB-CG 4.1Å; L68-L73 HydrophobicContact CD2-CD2 3.77Å; S69-L73 WeakPolarHBondContact O-CG 3.35Å; S69-L73 PolarHBondContact O-N 3.47Å; L70-L73 HydrophobicContact CD2-CD1 4.33Å; L70-L73 PolarHBondContact O-N 3.07Å; L73-C75 VanDerWaalsContact C-N 3.3Å; L73-C75 PolarHBondContact O-N 2.87Å; L73-V76 PolarHBondContact O-N 3.03Å; L73-C77 VanDerWaalsContact O-CB 3.28Å; L73-C77 WeakPolarHBondContact O-CB 3.41Å; L73-C77 PolarHBondContact O-N 3.44Å |
| 74 | C | 89.2 | Confident | 85.6 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.1 | -43.8 | 168.3 | -73.3 | 0 | 0 | 0 | 0 | 111.4 | F49 L70 L71 H72 G78 G79 T84 L87 | F49-C74 WeakPolarHBondContact CE1-SG 2.94Å; F49-C74 HydrophobicContact CZ-CB 4.5Å; L70-C74 PolarHBondContact O-N 3.37Å; L70-C74 PolarHBondContact O-SG 3.24Å; L70-C74 VanDerWaalsContact O-SG 3.35Å; L71-C74 PolarHBondContact O-N 3.41Å; H72-C74 VanDerWaalsContact C-N 3.28Å; H72-C74 PolarHBondContact O-N 3.29Å; C74-G78 PolarHBondContact O-N 3.23Å; C74-G79 PolarHBondContact O-N 2.88Å; C74-T84 HydrophobicContact CB-CG2 4.01Å; C74-L87 WeakPolarHBondContact SG-CD1 3.27Å |
| 75 | C | 90.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.5 | -46.2 | 178.7 | -56.1 | 0 | 0 | 0 | 0 | 111 | H72 L73 A104 L107 A108 K111 | H72-C75 WeakPolarHBondContact O-CB 3.33Å; H72-C75 PolarHBondContact O-N 3.19Å; L73-C75 VanDerWaalsContact C-N 3.3Å; L73-C75 PolarHBondContact O-N 2.87Å; C75-A104 PolarHBondContact SG-O 3.35Å; C75-L107 HydrophobicContact CB-CB 3.97Å; C75-A108 HydrophobicContact CB-CB 4.39Å; C75-K111 WeakPolarHBondContact O-CD 3.49Å; C75-K111 PolarHBondContact O-NZ 2.64Å; C75-K111 VanDerWaalsContact O-NZ 3.12Å |
| 76 | V | 88.1 | Confident | 86.2 | Confident | 13 Ų | 13 | 25.2 Ų | 25.2 | 8% | 0.079 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69.6 | -49.7 | -177.4 | 176.3 | 0 | 0 | 0 | 0 | 112.4 | F35 L37 L68 H72 L73 L107 K111 | F35-V76 HydrophobicContact CB-CG1 4.42Å; F35-V76 HydrophobicContact CD1-CG1 4.1Å; F35-V76 HydrophobicContact CD2-CG2 4.34Å; F35-V76 HydrophobicContact CE2-CG2 4.37Å; F35-V76 HydrophobicContact CG-CG1 4.24Å; F35-V76 HydrophobicContact CG-CG2 4.43Å; F35-V76 HydrophobicContact CZ-CG2 4.47Å; L37-V76 HydrophobicContact CD1-CG1 3.87Å; L37-V76 HydrophobicContact CG-CG1 4.5Å; L68-V76 HydrophobicContact CD2-CG2 4.01Å; H72-V76 PolarHBondContact O-N 3.43Å; L73-V76 PolarHBondContact O-N 3.03Å; V76-L107 HydrophobicContact CG2-CD1 3.94Å; V76-K111 PolarHBondContact O-NZ 3.35Å |
| 77 | C | 82.6 | Confident | 86.9 | Confident | 6 Ų | 6 | 22.9 Ų | 22.9 | 4% | 0.041 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -93.4 | 6.3 | -170.3 | -54.5 | 0 | 0 | 0 | 0 | 114.6 | L37 L42 H46 F49 L73 | L37-C77 WeakPolarHBondContact CD1-SG 3.37Å; L42-C77 HydrophobicContact CD1-CB 4.22Å; H46-C77 PolarHBondContact CE1-O 3.18Å; H46-C77 PolarHBondContact ND1-O 2.93Å; F49-C77 HydrophobicContact CD2-CB 4.22Å; F49-C77 HydrophobicContact CE2-CB 4.01Å; L73-C77 VanDerWaalsContact O-CB 3.28Å; L73-C77 WeakPolarHBondContact O-CB 3.41Å; L73-C77 PolarHBondContact O-N 3.44Å |
| 78 | G | 73.6 | Confident | 87.1 | Confident | 45 Ų | 45 | 23.7 Ų | 23.7 | 46% | 0.464 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82 | 39.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | C74 | C74-G78 PolarHBondContact O-N 3.23Š|
| 79 | G | 79.9 | Confident | 87 | Confident | 5 Ų | 5 | 31.1 Ų | 31.1 | 5% | 0.052 | 17% | 0.172 | C | C | . | . | trans | -61.3 | 162.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | C74 | C74-G79 PolarHBondContact O-N 2.88Š| ||
| 80 | N | 84.9 | Confident | 86.7 | Confident | 65 Ų | 65 | 35.1 Ų | 35.1 | 35% | 0.348 | 19% | 0.189 | S | C | . | . | trans | -106 | 177.5 | 178.3 | 65.4 | 30.1 | 0 | 0 | 0 | 110.6 | A82 H83 T84 | N80-A82 VanDerWaalsContact C-N 3.25Å; N80-A82 PolarHBondContact O-N 3.18Å; N80-A82 WeakPolarHBondContact OD1-CA 3.5Å; N80-A82 WeakPolarHBondContact OD1-CB 3.12Å; N80-A82 PolarHBondContact OD1-N 3.12Å; N80-H83 PolarHBondContact N-ND1 3.45Å; N80-H83 PolarHBondContact ND2-CE1 3.36Å; N80-H83 VanDerWaalsContact ND2-CE1 3.33Å; N80-H83 PolarHBondContact O-N 3.22Å; N80-H83 PolarHBondContact OD1-N 3.01Å; N80-H83 PolarHBondContact OD1-ND1 3.41Å; N80-T84 PolarHBondContact O-N 2.94Å | ||
| 81 | K | 86.1 | Confident | 86.4 | Confident | 89 Ų | 89 | 37.7 Ų | 37.7 | 39% | 0.387 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58.5 | -30 | 176.2 | 64 | 173.1 | 165.5 | -125 | 0 | 115.5 | T84 R85 E115 E119 | K81-T84 WeakPolarHBondContact CA-OG1 3.32Å; K81-T84 PolarHBondContact O-OG1 2.93Å; K81-R85 WeakPolarHBondContact O-CB 3.4Å; K81-R85 VanDerWaalsContact O-CG 3.29Å; K81-R85 WeakPolarHBondContact O-CG 3.43Å; K81-R85 PolarHBondContact O-N 3.34Å; K81-R85 VanDerWaalsContact O-N 3.15Å; K81-E115 HydrophobicContact CB-CG 4.31Å; K81-E115 VanDerWaalsContact CD-OE1 3.25Å; K81-E115 WeakPolarHBondContact CD-OE1 3.15Å; K81-E115 VanDerWaalsContact CE-OE1 3.32Å; K81-E115 WeakPolarHBondContact CE-OE1 3.43Å; K81-E115 IonicContact NZ-OE1 2.8Å; K81-E115 PolarHBondContact NZ-OE1 3.23Å; K81-E119 HydrophobicContact CB-CB 4.32Å; K81-E119 HydrophobicContact CB-CG 3.47Å; K81-E119 VanDerWaalsContact CB-CG 3.47Å; K81-E119 WeakPolarHBondContact CD-OE1 3.49Å |
| 82 | A | 86.8 | Confident | 86.2 | Confident | 46 Ų | 46 | 38.7 Ų | 38.7 | 38% | 0.38 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -71.3 | -38.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | N80 T86 | N80-A82 VanDerWaalsContact C-N 3.25Å; N80-A82 PolarHBondContact O-N 3.18Å; N80-A82 WeakPolarHBondContact OD1-CA 3.5Å; N80-A82 WeakPolarHBondContact OD1-CB 3.12Å; N80-A82 PolarHBondContact OD1-N 3.12Å; A82-T86 VanDerWaalsContact O-CB 3.29Å; A82-T86 WeakPolarHBondContact O-CB 3.34Å; A82-T86 PolarHBondContact O-N 3.12Å; A82-T86 PolarHBondContact O-OG1 3.19Å |
| 83 | H | 87.6 | Confident | 85.9 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.019 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.9 | -47.4 | 175.5 | -58.6 | 142 | 0 | 0 | 0 | 111.7 | F49 F55 N80 T86 L87 | F49-H83 HydrophobicContact CD1-CB 4.44Å; F49-H83 AromaticContact CD1-ND1 3.75Å; F49-H83 PolarHBondContact O-CE1 3.01Å; F55-H83 AromaticContact CD1-CD2 3.76Å; F55-H83 AromaticContact CD2-CD2 4Å; F55-H83 HydrophobicContact CE1-CB 4.08Å; F55-H83 AromaticContact CE1-CD2 3.87Å; F55-H83 HydrophobicContact CE2-CB 4.17Å; F55-H83 AromaticContact CG-CD2 3.79Å; F55-H83 HydrophobicContact CZ-CB 3.68Å; N80-H83 PolarHBondContact N-ND1 3.45Å; N80-H83 PolarHBondContact ND2-CE1 3.36Å; N80-H83 VanDerWaalsContact ND2-CE1 3.33Å; N80-H83 PolarHBondContact O-N 3.22Å; N80-H83 PolarHBondContact OD1-N 3.01Å; N80-H83 PolarHBondContact OD1-ND1 3.41Å; H83-T86 PolarHBondContact O-N 2.89Å; H83-L87 VanDerWaalsContact O-CG 3.31Å; H83-L87 WeakPolarHBondContact O-CG 3.38Å; H83-L87 PolarHBondContact O-N 3.21Å |
| 84 | T | 88.1 | Confident | 85.9 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.2 | -47.3 | 179.7 | 51.1 | 0 | 0 | 0 | 0 | 111.7 | L71 C74 N80 K81 T86 L87 M88 L116 | L71-T84 HydrophobicContact CD1-CG2 4.1Å; C74-T84 HydrophobicContact CB-CG2 4.01Å; N80-T84 PolarHBondContact O-N 2.94Å; K81-T84 WeakPolarHBondContact CA-OG1 3.32Å; K81-T84 PolarHBondContact O-OG1 2.93Å; T84-T86 PolarHBondContact O-N 3.28Å; T84-L87 PolarHBondContact O-N 3.44Å; T84-M88 WeakPolarHBondContact O-CG 3.4Å; T84-M88 PolarHBondContact O-N 2.84Å; T84-L116 HydrophobicContact CG2-CD2 3.77Å |
| 85 | R | 86.8 | Confident | 85.9 | Confident | 130 Ų | 130 | 49.4 Ų | 49.4 | 49% | 0.491 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.1 | -47.5 | 174.9 | -74.3 | 177.9 | -176.5 | -176.8 | 2.1 | 112.2 | K81 L87 M88 L89 E119 | K81-R85 WeakPolarHBondContact O-CB 3.4Å; K81-R85 VanDerWaalsContact O-CG 3.29Å; K81-R85 WeakPolarHBondContact O-CG 3.43Å; K81-R85 PolarHBondContact O-N 3.34Å; K81-R85 VanDerWaalsContact O-N 3.15Å; R85-L87 VanDerWaalsContact C-N 3.35Å; R85-L87 PolarHBondContact O-N 3.39Å; R85-M88 PolarHBondContact O-N 3.29Å; R85-L89 WeakPolarHBondContact O-CB 3.42Å; R85-L89 WeakPolarHBondContact O-CG 3.39Å; R85-L89 PolarHBondContact O-N 3.02Å; R85-E119 IonicContact CZ-OE1 3.96Å; R85-E119 IonicContact CZ-OE2 2.65Å; R85-E119 IonicContact NE-OE1 3.4Å; R85-E119 IonicContact NE-OE2 3.55Å; R85-E119 PolarHBondContact NE-OE2 3.38Å; R85-E119 IonicContact NH2-OE1 3.32Å; R85-E119 PolarHBondContact NH2-OE1 2.92Å; R85-E119 IonicContact NH2-OE2 2.94Å; R85-E119 PolarHBondContact NH2-OE2 3.16Å |
| 86 | T | 87.6 | Confident | 85.8 | Confident | 49 Ų | 49 | 53.1 Ų | 53.1 | 30% | 0.301 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.6 | -41.8 | -179.1 | -61.2 | 0 | 0 | 0 | 0 | 111.6 | F55 A82 H83 T84 L89 K90 | F55-T86 HydrophobicContact CD1-CG2 4.32Å; F55-T86 HydrophobicContact CE1-CG2 3.88Å; A82-T86 VanDerWaalsContact O-CB 3.29Å; A82-T86 WeakPolarHBondContact O-CB 3.34Å; A82-T86 PolarHBondContact O-N 3.12Å; A82-T86 PolarHBondContact O-OG1 3.19Å; H83-T86 PolarHBondContact O-N 2.89Å; T84-T86 PolarHBondContact O-N 3.28Å; T86-L89 PolarHBondContact O-N 3.5Å; T86-K90 HydrophobicContact CG2-CD 4.42Å; T86-K90 WeakPolarHBondContact O-CB 3.44Å; T86-K90 WeakPolarHBondContact O-CG 3.48Å; T86-K90 PolarHBondContact O-N 3.29Å |
| 87 | L | 87.9 | Confident | 85.9 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.1 | -40.1 | 177.8 | -70.4 | 171.2 | 0 | 0 | 0 | 112.4 | F55 L70 L71 C74 H83 T84 R85 K90 G91 L92 | F55-L87 HydrophobicContact CE1-CD2 4.41Å; F55-L87 HydrophobicContact CE1-CG 4.27Å; F55-L87 HydrophobicContact CE2-CD1 4.47Å; F55-L87 HydrophobicContact CE2-CD2 4.45Å; F55-L87 HydrophobicContact CZ-CD1 3.85Å; F55-L87 HydrophobicContact CZ-CD2 3.76Å; F55-L87 HydrophobicContact CZ-CG 3.59Å; L70-L87 HydrophobicContact CB-CD1 3.83Å; L70-L87 HydrophobicContact CB-CD2 3.96Å; L70-L87 HydrophobicContact CD1-CD2 3.87Å; L71-L87 HydrophobicContact CB-CD1 4.49Å; L71-L87 HydrophobicContact CD1-CB 4.31Å; L71-L87 HydrophobicContact CD1-CD1 4.38Å; C74-L87 WeakPolarHBondContact SG-CD1 3.27Å; H83-L87 VanDerWaalsContact O-CG 3.31Å; H83-L87 WeakPolarHBondContact O-CG 3.38Å; H83-L87 PolarHBondContact O-N 3.21Å; T84-L87 PolarHBondContact O-N 3.44Å; R85-L87 VanDerWaalsContact C-N 3.35Å; R85-L87 PolarHBondContact O-N 3.39Å; L87-K90 CarbonylContact O-C 3.6Å; L87-K90 PolarHBondContact O-N 3.42Å; L87-G91 PolarHBondContact O-N 2.99Å; L87-L92 HydrophobicContact CB-CB 4.36Å; L87-L92 HydrophobicContact CB-CD1 4.41Å; L87-L92 HydrophobicContact CB-CD2 4.23Å; L87-L92 HydrophobicContact CD2-CD1 4.27Å; L87-L92 HydrophobicContact CD2-CD2 4.22Å; L87-L92 WeakPolarHBondContact O-CB 3.44Å; L87-L92 PolarHBondContact O-N 3.27Å |
| 88 | M | 87.4 | Confident | 86.4 | Confident | 31 Ų | 31 | 55.5 Ų | 55.5 | 15% | 0.153 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 175.4 | -69.3 | 178.4 | 177.7 | 0 | 0 | 111.8 | L71 T84 R85 K90 G91 P94 L120 G123 | L71-M88 HydrophobicContact CD1-CE 4.2Å; L71-M88 HydrophobicContact CD1-CG 4.44Å; L71-M88 HydrophobicContact CD2-CE 4.14Å; T84-M88 WeakPolarHBondContact O-CG 3.4Å; T84-M88 PolarHBondContact O-N 2.84Å; R85-M88 PolarHBondContact O-N 3.29Å; M88-K90 VanDerWaalsContact C-N 3.26Å; M88-K90 PolarHBondContact O-N 2.95Å; M88-G91 WeakPolarHBondContact O-CA 3.49Å; M88-G91 PolarHBondContact O-N 3.33Å; M88-P94 HydrophobicContact CE-CB 3.99Å; M88-P94 HydrophobicContact CE-CG 4.43Å; M88-L120 HydrophobicContact CE-CB 4.46Å; M88-L120 HydrophobicContact CE-CD2 3.28Å; M88-L120 HydrophobicContact CE-CG 4.27Å; M88-G123 VanDerWaalsContact SD-CA 3.59Å |
| 89 | L | 86.4 | Confident | 87.1 | Confident | 156 Ų | 156 | 62 Ų | 62 | 82% | 0.817 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -61.6 | -34.3 | 173.5 | -73.3 | 172.4 | 0 | 0 | 0 | 112.4 | R85 T86 G91 | R85-L89 WeakPolarHBondContact O-CB 3.42Å; R85-L89 WeakPolarHBondContact O-CG 3.39Å; R85-L89 PolarHBondContact O-N 3.02Å; T86-L89 PolarHBondContact O-N 3.5Å; L89-G91 PolarHBondContact O-N 3.45Å |
| 90 | K | 84.8 | Confident | 87.5 | Confident | 89 Ų | 89 | 62.7 Ų | 62.7 | 39% | 0.387 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | 4.2 | 171.9 | -71 | -174.7 | 178 | -174.1 | 0 | 113.6 | Q56 V60 T86 L87 M88 | Q56-K90 PolarHBondContact O-NZ 2.92Å; V60-K90 HydrophobicContact CG1-CB 4Å; V60-K90 HydrophobicContact CG1-CD 3.63Å; V60-K90 HydrophobicContact CG1-CG 4.45Å; T86-K90 HydrophobicContact CG2-CD 4.42Å; T86-K90 WeakPolarHBondContact O-CB 3.44Å; T86-K90 WeakPolarHBondContact O-CG 3.48Å; T86-K90 PolarHBondContact O-N 3.29Å; L87-K90 CarbonylContact O-C 3.6Å; L87-K90 PolarHBondContact O-N 3.42Å; M88-K90 VanDerWaalsContact C-N 3.26Å; M88-K90 PolarHBondContact O-N 2.95Å |
| 91 | G | 82.6 | Confident | 87.8 | Confident | 57 Ų | 57 | 59.8 Ų | 59.8 | 59% | 0.588 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93 | 11 | 172 | 0 | 0 | 0 | 0 | 0 | 115.7 | L87 M88 L89 R93 | L87-G91 PolarHBondContact O-N 2.99Å; M88-G91 WeakPolarHBondContact O-CA 3.49Å; M88-G91 PolarHBondContact O-N 3.33Å; L89-G91 PolarHBondContact O-N 3.45Å; G91-R93 PolarHBondContact O-N 3.13Å |
| 92 | L | 88.1 | Confident | 88.2 | Confident | 22 Ų | 22 | 55.6 Ų | 55.6 | 12% | 0.115 | 28% | 0.279 | C | S | . | . | trans | -70.4 | 118.9 | 171.8 | -84.1 | 76.1 | 0 | 0 | 0 | 110 | V60 L70 L71 L87 | V60-L92 HydrophobicContact CB-CD1 3.77Å; V60-L92 HydrophobicContact CG1-CD1 4Å; L70-L92 HydrophobicContact CB-CD2 4.03Å; L71-L92 HydrophobicContact CB-CD2 3.95Å; L87-L92 HydrophobicContact CB-CB 4.36Å; L87-L92 HydrophobicContact CB-CD1 4.41Å; L87-L92 HydrophobicContact CB-CD2 4.23Å; L87-L92 HydrophobicContact CD2-CD1 4.27Å; L87-L92 HydrophobicContact CD2-CD2 4.22Å; L87-L92 WeakPolarHBondContact O-CB 3.44Å; L87-L92 PolarHBondContact O-N 3.27Å | ||
| 93 | R | 86.3 | Confident | 88.6 | Confident | 151 Ų | 151 | 53.5 Ų | 53.5 | 57% | 0.57 | 26% | 0.262 | S | S | * | . | trans | -73.1 | 124.6 | 178.7 | -63.7 | -174.1 | -179.3 | 153.4 | 5.7 | 110.8 | G91 S95 R96 E784 | G91-R93 PolarHBondContact O-N 3.13Å; R93-S95 PolarHBondContact O-N 3.04Å; R93-R96 WeakPolarHBondContact O-CB 3.42Å; R93-R96 PolarHBondContact O-N 2.98Å; R93-E784 IonicContact CZ-OE1 2.84Å; R93-E784 IonicContact NH1-OE1 3.91Å; R93-E784 PolarHBondContact NH1-OE1 3.43Å; R93-E784 IonicContact NH1-OE2 3.5Å; R93-E784 IonicContact NH2-OE1 3.85Å; R93-E784 PolarHBondContact NH2-OE1 3.28Å | ||
| 94 | P | 89.1 | Confident | 89 | Confident | 22 Ų | 22 | 53.3 Ų | 53.3 | 14% | 0.143 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -24.3 | 174.4 | 21.7 | -29.4 | 0 | 0 | 0 | 113.3 | L71 M88 R96 S125 | L71-P94 HydrophobicContact CD2-CB 4.23Å; M88-P94 HydrophobicContact CE-CB 3.99Å; M88-P94 HydrophobicContact CE-CG 4.43Å; P94-R96 PolarHBondContact O-N 3.19Å; P94-S125 WeakPolarHBondContact CB-OG 3.47Å |
| 95 | S | 89.4 | Confident | 89.4 | Confident | 55 Ų | 55 | 53.4 Ų | 53.4 | 39% | 0.385 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 1.9 | -179.8 | 60.6 | 0 | 0 | 0 | 0 | 115.2 | R93 Q129 | R93-S95 PolarHBondContact O-N 3.04Å; S95-Q129 PolarHBondContact O-NE2 3.15Å |
| 96 | R | 88.8 | Confident | 89.9 | Confident | 78 Ų | 78 | 47.3 Ų | 47.3 | 29% | 0.294 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -70.1 | 140.7 | 179.1 | -168.1 | 175.8 | -166.8 | 92.9 | 24 | 110.4 | R63 H72 R93 P94 T103 | R63-R96 VanDerWaalsContact NH2-NH1 3.12Å; R63-R96 VanDerWaalsContact NH2-NH2 3.18Å; H72-R96 PolarHBondContact CE1-O 3.4Å; H72-R96 PolarHBondContact NE2-O 2.89Å; H72-R96 VanDerWaalsContact NE2-O 3.09Å; R93-R96 WeakPolarHBondContact O-CB 3.42Å; R93-R96 PolarHBondContact O-N 2.98Å; P94-R96 PolarHBondContact O-N 3.19Å; R96-T103 WeakPolarHBondContact O-CA 3.43Å |
| 97 | L | 89.8 | Confident | 90.3 | Very high | 60 Ų | 60 | 45 Ų | 45 | 31% | 0.314 | 22% | 0.224 | S | C | . | . | P | Polyproline II helix | trans | -101 | 147.3 | 175.2 | -58.6 | 174.5 | 0 | 0 | 0 | 111.8 | F102 T103 | L97-F102 CarbonylContact C-O 3.53Å; L97-F102 VanDerWaalsContact CA-O 3.28Å; L97-F102 WeakPolarHBondContact CA-O 3.32Å; L97-T103 HydrophobicContact CD2-CG2 3.43Å; L97-T103 VanDerWaalsContact CD2-CG2 3.43Å |
| 98 | T | 91.8 | Very high | 90.7 | Very high | 9 Ų | 9 | 44.8 Ų | 44.8 | 6% | 0.055 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -68.5 | 172.4 | 164.1 | 65.8 | 0 | 0 | 0 | 0 | 111 | D34 L68 H72 N100 G101 F102 L107 | D34-T98 WeakPolarHBondContact OD2-CB 3.38Å; D34-T98 VanDerWaalsContact OD2-CG2 3.31Å; D34-T98 WeakPolarHBondContact OD2-CG2 3.47Å; D34-T98 PolarHBondContact OD2-OG1 3.17Å; L68-T98 HydrophobicContact CD1-CG2 4.25Å; L68-T98 HydrophobicContact CG-CG2 3.95Å; H72-T98 HydrophobicContact CB-CG2 4.46Å; H72-T98 VanDerWaalsContact CD2-CG2 3.44Å; H72-T98 WeakPolarHBondContact CD2-CG2 3.36Å; T98-N100 PolarHBondContact O-N 3.4Å; T98-N100 PolarHBondContact OG1-N 2.87Å; T98-G101 PolarHBondContact O-N 3.14Å; T98-G101 PolarHBondContact OG1-N 3.44Å; T98-F102 WeakPolarHBondContact CG2-O 3.19Å; T98-F102 PolarHBondContact N-O 2.91Å; T98-F102 PolarHBondContact OG1-N 2.94Å; T98-F102 VanDerWaalsContact OG1-N 3.14Å; T98-L107 HydrophobicContact CG2-CD1 4.22Å |
| 99 | R | 89 | Confident | 91.2 | Very high | 180 Ų | 180 | 43.3 Ų | 43.3 | 68% | 0.679 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -28.8 | 171.8 | -74.6 | -176.7 | -178.2 | -176.8 | 5.9 | 112.3 | E65 K66 G101 | E65-R99 PolarHBondContact O-NE 3.43Å; E65-R99 VanDerWaalsContact O-NE 3.1Å; E65-R99 PolarHBondContact O-NH1 2.97Å; E65-R99 PolarHBondContact O-NH2 2.93Å; E65-R99 VanDerWaalsContact O-NH2 3.1Å; K66-R99 VanDerWaalsContact O-CB 3.26Å; K66-R99 WeakPolarHBondContact O-CB 3.4Å; K66-R99 VanDerWaalsContact O-CG 3.25Å; K66-R99 WeakPolarHBondContact O-CG 3.24Å; K66-R99 PolarHBondContact O-N 3.05Å; R99-G101 PolarHBondContact O-N 3.46Å |
| 100 | N | 88.8 | Confident | 91.6 | Very high | 20 Ų | 20 | 37.7 Ų | 37.7 | 11% | 0.107 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -4.7 | 174.3 | -75 | -42.1 | 0 | 0 | 0 | 113.4 | K30 D33 D34 T98 F102 Y132 | K30-N100 HydrophobicContact CB-CB 4.18Å; K30-N100 PolarHBondContact NZ-OD1 3.18Å; K30-N100 PolarHBondContact O-ND2 3.03Å; D33-N100 PolarHBondContact OD2-ND2 3.18Å; D34-N100 PolarHBondContact OD1-ND2 3.06Å; T98-N100 PolarHBondContact O-N 3.4Å; T98-N100 PolarHBondContact OG1-N 2.87Å; N100-F102 HydrophobicContact CB-CD2 4.02Å; N100-F102 HydrophobicContact CB-CE2 4.09Å; N100-Y132 WeakPolarHBondContact O-CB 3.43Å |
| 101 | G | 90.2 | Very high | 92 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 5% | 0.052 | 18% | 0.182 | C | C | . | . | S | Bend | trans | 90.6 | 26.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | T98 R99 G131 Y132 | T98-G101 PolarHBondContact O-N 3.14Å; T98-G101 PolarHBondContact OG1-N 3.44Å; R99-G101 PolarHBondContact O-N 3.46Å; G101-G131 CarbonylContact O-C 3.51Å; G101-G131 VanDerWaalsContact O-C 3.32Å; G101-G131 WeakPolarHBondContact O-CA 3.48Å; G101-Y132 PolarHBondContact O-N 3.11Å |
| 102 | F | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -113.1 | 145.1 | -179.7 | -61.1 | -65.4 | 0 | 0 | 0 | 112.3 | I27 K30 L31 H72 L97 T98 N100 H106 L107 | I27-F102 HydrophobicContact CG2-CZ 4.31Å; K30-F102 HydrophobicContact CB-CE2 3.87Å; K30-F102 HydrophobicContact CB-CZ 4.39Å; L31-F102 HydrophobicContact CD1-CZ 4.36Å; L31-F102 HydrophobicContact CD2-CD1 3.8Å; L31-F102 HydrophobicContact CD2-CD2 3.77Å; L31-F102 HydrophobicContact CD2-CE1 3.79Å; L31-F102 HydrophobicContact CD2-CE2 3.75Å; L31-F102 HydrophobicContact CD2-CG 3.79Å; L31-F102 HydrophobicContact CD2-CZ 3.77Å; L31-F102 HydrophobicContact CG-CD2 4.27Å; L31-F102 HydrophobicContact CG-CE1 4.03Å; L31-F102 HydrophobicContact CG-CE2 3.73Å; L31-F102 HydrophobicContact CG-CZ 3.61Å; H72-F102 PolarHBondContact NE2-O 2.83Å; L97-F102 CarbonylContact C-O 3.53Å; L97-F102 VanDerWaalsContact CA-O 3.28Å; L97-F102 WeakPolarHBondContact CA-O 3.32Å; T98-F102 WeakPolarHBondContact CG2-O 3.19Å; T98-F102 PolarHBondContact N-O 2.91Å; T98-F102 PolarHBondContact OG1-N 2.94Å; T98-F102 VanDerWaalsContact OG1-N 3.14Å; N100-F102 HydrophobicContact CB-CD2 4.02Å; N100-F102 HydrophobicContact CB-CE2 4.09Å; F102-H106 HydrophobicContact CB-CB 4Å; F102-H106 HydrophobicContact CD1-CB 4.12Å; F102-H106 HydrophobicContact CG-CB 4.48Å; F102-L107 HydrophobicContact CB-CD2 4.09Å; F102-L107 HydrophobicContact CB-CG 4.43Å | ||
| 103 | T | 95.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.012 | 17% | 0.172 | C | C | . | . | trans | -86 | 168.6 | 171.6 | 67.9 | 0 | 0 | 0 | 0 | 111 | R96 L97 L105 H106 L107 Q129 | R96-T103 WeakPolarHBondContact O-CA 3.43Å; L97-T103 HydrophobicContact CD2-CG2 3.43Å; L97-T103 VanDerWaalsContact CD2-CG2 3.43Å; T103-L105 PolarHBondContact O-N 3.39Å; T103-L105 PolarHBondContact OG1-N 2.8Å; T103-H106 PolarHBondContact N-ND1 2.81Å; T103-H106 WeakPolarHBondContact O-CB 3.47Å; T103-H106 PolarHBondContact O-N 3.18Å; T103-H106 VanDerWaalsContact O-N 3.13Å; T103-H106 PolarHBondContact OG1-N 3.46Å; T103-H106 PolarHBondContact OG1-ND1 3.33Å; T103-L107 PolarHBondContact O-N 3.05Å; T103-L107 VanDerWaalsContact O-N 3.13Å; T103-Q129 VanDerWaalsContact CG2-CD 3.44Å; T103-Q129 HydrophobicContact CG2-CG 4.05Å | ||
| 104 | A | 95.2 | Very high | 93 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.7 | -34.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L71 H72 C75 L107 A108 L120 | L71-A104 HydrophobicContact CD2-CB 4.13Å; L71-A104 HydrophobicContact CG-CB 3.85Å; H72-A104 PolarHBondContact CD2-N 3.12Å; H72-A104 PolarHBondContact NE2-N 3.18Å; C75-A104 PolarHBondContact SG-O 3.35Å; A104-L107 PolarHBondContact O-N 3.06Å; A104-A108 WeakPolarHBondContact O-CB 3.49Å; A104-A108 PolarHBondContact O-N 3.47Å; A104-L120 HydrophobicContact CB-CD1 4.32Å; A104-L120 HydrophobicContact CB-CD2 3.97Å |
| 105 | L | 97.2 | Very high | 93.2 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.1 | -40.3 | 175.9 | -173.6 | 64.9 | 0 | 0 | 0 | 112.2 | T103 A108 A109 V117 L120 L121 A137 L153 | T103-L105 PolarHBondContact O-N 3.39Å; T103-L105 PolarHBondContact OG1-N 2.8Å; L105-A108 PolarHBondContact O-N 2.88Å; L105-A109 WeakPolarHBondContact O-CB 3.26Å; L105-A109 PolarHBondContact O-N 2.81Å; L105-V117 HydrophobicContact CD1-CG1 4.04Å; L105-L120 HydrophobicContact CD1-CB 4.02Å; L105-L120 HydrophobicContact CD1-CD1 4.44Å; L105-L121 HydrophobicContact CD1-CD2 4.21Å; L105-L121 HydrophobicContact CD1-CG 4.04Å; L105-L121 HydrophobicContact CD2-CD2 3.81Å; L105-A137 HydrophobicContact CD2-CB 3.91Å; L105-A137 HydrophobicContact CG-CB 3.73Å; L105-L153 HydrophobicContact CD1-CD2 4.28Å; L105-L153 HydrophobicContact CD2-CD2 4.23Å; L105-L153 HydrophobicContact CG-CD2 4.4Å |
| 106 | H | 97.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.3 | -45.7 | 173.9 | -69.5 | 96.9 | 0 | 0 | 0 | 111.7 | F102 T103 A109 Y110 Q129 G131 L135 T136 A137 | F102-H106 HydrophobicContact CB-CB 4Å; F102-H106 HydrophobicContact CD1-CB 4.12Å; F102-H106 HydrophobicContact CG-CB 4.48Å; T103-H106 PolarHBondContact N-ND1 2.81Å; T103-H106 WeakPolarHBondContact O-CB 3.47Å; T103-H106 PolarHBondContact O-N 3.18Å; T103-H106 VanDerWaalsContact O-N 3.13Å; T103-H106 PolarHBondContact OG1-N 3.46Å; T103-H106 PolarHBondContact OG1-ND1 3.33Å; H106-A109 PolarHBondContact O-N 2.87Å; H106-Y110 WeakPolarHBondContact O-CB 3.49Å; H106-Y110 PolarHBondContact O-N 2.94Å; H106-Q129 PolarHBondContact CE1-O 2.92Å; H106-G131 PolarHBondContact CE1-N 3.28Å; H106-L135 PolarHBondContact NE2-O 2.97Å; H106-T136 VanDerWaalsContact NE2-C 3.25Å; H106-A137 PolarHBondContact NE2-N 3.4Å |
| 107 | L | 96.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.8 | -37.1 | 179.5 | -58.6 | 179.1 | 0 | 0 | 0 | 112 | L31 D34 F35 H72 C75 V76 T98 F102 T103 A104 Y110 K111 | L31-L107 HydrophobicContact CD2-CD2 4.23Å; D34-L107 HydrophobicContact CB-CD2 4.02Å; F35-L107 HydrophobicContact CD2-CD2 4.43Å; F35-L107 HydrophobicContact CE2-CB 4.29Å; F35-L107 HydrophobicContact CE2-CD2 3.81Å; F35-L107 HydrophobicContact CZ-CB 4.46Å; H72-L107 HydrophobicContact CB-CD1 3.86Å; C75-L107 HydrophobicContact CB-CB 3.97Å; V76-L107 HydrophobicContact CG2-CD1 3.94Å; T98-L107 HydrophobicContact CG2-CD1 4.22Å; F102-L107 HydrophobicContact CB-CD2 4.09Å; F102-L107 HydrophobicContact CB-CG 4.43Å; T103-L107 PolarHBondContact O-N 3.05Å; T103-L107 VanDerWaalsContact O-N 3.13Å; A104-L107 PolarHBondContact O-N 3.06Å; L107-Y110 PolarHBondContact O-N 3.09Å; L107-K111 WeakPolarHBondContact O-CB 3.48Å; L107-K111 PolarHBondContact O-N 3.16Å; L107-K111 VanDerWaalsContact O-N 3.08Å |
| 108 | A | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.9 | -40 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | C75 A104 L105 K111 D112 N113 L116 V117 L120 | C75-A108 HydrophobicContact CB-CB 4.39Å; A104-A108 WeakPolarHBondContact O-CB 3.49Å; A104-A108 PolarHBondContact O-N 3.47Å; L105-A108 PolarHBondContact O-N 2.88Å; A108-K111 PolarHBondContact O-N 3.25Å; A108-D112 PolarHBondContact O-N 3.32Å; A108-N113 PolarHBondContact O-N 3.39Å; A108-N113 VanDerWaalsContact O-N 3.12Å; A108-L116 HydrophobicContact CB-CB 4.13Å; A108-V117 HydrophobicContact CB-CG2 3.76Å; A108-L120 HydrophobicContact CB-CD1 3.64Å |
| 109 | A | 97 | Very high | 94.1 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.3 | -40.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L105 H106 K111 D112 A137 A141 H146 L153 | L105-A109 WeakPolarHBondContact O-CB 3.26Å; L105-A109 PolarHBondContact O-N 2.81Å; H106-A109 PolarHBondContact O-N 2.87Å; A109-K111 VanDerWaalsContact C-N 3.31Å; A109-K111 PolarHBondContact O-N 3.5Å; A109-D112 PolarHBondContact O-N 2.87Å; A109-A137 HydrophobicContact CB-CB 4.28Å; A109-A141 HydrophobicContact CB-CB 4.27Å; A109-H146 PolarHBondContact O-CD2 3.48Å; A109-L153 HydrophobicContact CB-CD1 4.27Å |
| 110 | Y | 96.4 | Very high | 94.4 | Very high | 38 Ų | 38 | 19.6 Ų | 19.6 | 15% | 0.149 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -68 | -27.5 | 176.7 | -170.3 | -114.3 | 0 | 0 | 0 | 113.6 | L31 D32 F35 H106 L107 D112 V140 A144 H146 | L31-Y110 HydrophobicContact CB-CD1 4.05Å; L31-Y110 HydrophobicContact CB-CD2 4.39Å; L31-Y110 HydrophobicContact CB-CE1 3.86Å; L31-Y110 HydrophobicContact CB-CE2 4.23Å; L31-Y110 HydrophobicContact CB-CG 4.3Å; L31-Y110 HydrophobicContact CD1-CD2 3.75Å; L31-Y110 HydrophobicContact CD1-CE2 3.9Å; L31-Y110 HydrophobicContact CD1-CG 4.22Å; L31-Y110 HydrophobicContact CD2-CG 4.27Å; L31-Y110 HydrophobicContact CG-CD2 4.47Å; D32-Y110 WeakPolarHBondContact OD1-CE1 3.41Å; D32-Y110 PolarHBondContact OD1-OH 3.37Å; F35-Y110 HydrophobicContact CD2-CD1 4.17Å; F35-Y110 AromaticContact CE2-CD1 3.59Å; F35-Y110 HydrophobicContact CE2-CD1 3.59Å; F35-Y110 HydrophobicContact CE2-CE1 4.33Å; F35-Y110 AromaticContact CZ-CD1 3.9Å; F35-Y110 HydrophobicContact CZ-CD1 3.9Å; H106-Y110 WeakPolarHBondContact O-CB 3.49Å; H106-Y110 PolarHBondContact O-N 2.94Å; L107-Y110 PolarHBondContact O-N 3.09Å; Y110-D112 VanDerWaalsContact C-N 3.32Å; Y110-V140 HydrophobicContact CD2-CG1 3.95Å; Y110-V140 HydrophobicContact CG-CG1 4.23Å; Y110-A144 HydrophobicContact CD2-CB 3.92Å; Y110-A144 HydrophobicContact CE2-CB 4.08Å; Y110-H146 PolarHBondContact O-CD2 3.36Å; Y110-H146 PolarHBondContact O-NE2 3.38Å |
| 111 | K | 92.4 | Very high | 94.7 | Very high | 77 Ų | 77 | 19.5 Ų | 19.5 | 34% | 0.335 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -5.9 | 176.6 | -163.9 | 174.9 | 177.1 | 171.7 | 0 | 113.4 | F35 C75 V76 L107 A108 A109 N113 | F35-K111 HydrophobicContact CE1-CB 4.01Å; F35-K111 HydrophobicContact CE1-CD 3.99Å; F35-K111 HydrophobicContact CE1-CG 4.05Å; F35-K111 HydrophobicContact CZ-CB 3.99Å; C75-K111 WeakPolarHBondContact O-CD 3.49Å; C75-K111 PolarHBondContact O-NZ 2.64Å; C75-K111 VanDerWaalsContact O-NZ 3.12Å; V76-K111 PolarHBondContact O-NZ 3.35Å; L107-K111 WeakPolarHBondContact O-CB 3.48Å; L107-K111 PolarHBondContact O-N 3.16Å; L107-K111 VanDerWaalsContact O-N 3.08Å; A108-K111 PolarHBondContact O-N 3.25Å; A109-K111 VanDerWaalsContact C-N 3.31Å; A109-K111 PolarHBondContact O-N 3.5Å; K111-N113 VanDerWaalsContact C-N 3.27Å; K111-N113 PolarHBondContact O-N 3.4Å |
| 112 | D | 92.6 | Very high | 94.8 | Very high | 54 Ų | 54 | 25.3 Ų | 25.3 | 29% | 0.289 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 34.6 | -171 | -148.4 | 3.7 | 0 | 0 | 0 | 114.4 | A108 A109 Y110 A114 H146 A149 | A108-D112 PolarHBondContact O-N 3.32Å; A109-D112 PolarHBondContact O-N 2.87Å; Y110-D112 VanDerWaalsContact C-N 3.32Å; D112-A114 PolarHBondContact O-N 2.98Å; D112-H146 HydrophobicContact CB-CB 4.05Å; D112-H146 WeakPolarHBondContact CB-ND1 3.08Å; D112-H146 VanDerWaalsContact CG-CG 3.43Å; D112-H146 VanDerWaalsContact CG-ND1 3.32Å; D112-H146 WeakPolarHBondContact OD1-CB 3.13Å; D112-H146 IonicContact OD1-CG 3.8Å; D112-H146 IonicContact OD2-CE1 2.66Å; D112-H146 IonicContact OD2-CG 2.95Å; D112-H146 IonicContact OD2-ND1 2.64Å; D112-H146 PolarHBondContact OD2-ND1 3.08Å; D112-A149 PolarHBondContact OD1-N 3.06Å |
| 113 | N | 92.8 | Very high | 94.4 | Very high | 40 Ų | 40 | 27.1 Ų | 27.1 | 21% | 0.214 | 15% | 0.146 | C | C | . | . | trans | -92.6 | 84.9 | 178.9 | -167.8 | -32.8 | 0 | 0 | 0 | 111 | A108 K111 E115 L116 V117 | A108-N113 PolarHBondContact O-N 3.39Å; A108-N113 VanDerWaalsContact O-N 3.12Å; K111-N113 VanDerWaalsContact C-N 3.27Å; K111-N113 PolarHBondContact O-N 3.4Å; N113-E115 VanDerWaalsContact C-N 3.27Å; N113-E115 PolarHBondContact O-N 3.02Å; N113-E115 PolarHBondContact OD1-N 3.39Å; N113-L116 HydrophobicContact CB-CB 4.17Å; N113-L116 HydrophobicContact CB-CD1 4.25Å; N113-L116 HydrophobicContact CB-CG 4.31Å; N113-L116 VanDerWaalsContact ND2-CD1 3.35Å; N113-L116 WeakPolarHBondContact ND2-CD1 3.37Å; N113-L116 WeakPolarHBondContact ND2-CG 3.48Å; N113-L116 PolarHBondContact O-N 3.31Å; N113-L116 VanDerWaalsContact O-N 3.1Å; N113-L116 PolarHBondContact OD1-N 3.12Å; N113-L116 VanDerWaalsContact OD1-N 3.09Å; N113-V117 WeakPolarHBondContact O-CG2 3.49Å; N113-V117 PolarHBondContact O-N 2.77Å | ||
| 114 | A | 92.4 | Very high | 94 | Very high | 33 Ų | 33 | 29.8 Ų | 29.8 | 27% | 0.273 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -49.1 | -41.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | D112 T118 I152 | D112-A114 PolarHBondContact O-N 2.98Å; A114-T118 WeakPolarHBondContact O-CB 3.43Å; A114-T118 PolarHBondContact O-N 2.85Å; A114-T118 PolarHBondContact O-OG1 3.22Å; A114-I152 HydrophobicContact CB-CD1 3.42Å; A114-I152 VanDerWaalsContact CB-CD1 3.42Å |
| 115 | E | 93.3 | Very high | 93.9 | Very high | 86 Ų | 86 | 30.4 Ų | 30.4 | 40% | 0.402 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.3 | -45.9 | 179.7 | -172.8 | 176.3 | -154.6 | 0 | 0 | 110.8 | K81 N113 T118 E119 | K81-E115 HydrophobicContact CB-CG 4.31Å; K81-E115 VanDerWaalsContact CD-OE1 3.25Å; K81-E115 WeakPolarHBondContact CD-OE1 3.15Å; K81-E115 VanDerWaalsContact CE-OE1 3.32Å; K81-E115 WeakPolarHBondContact CE-OE1 3.43Å; K81-E115 IonicContact NZ-OE1 2.8Å; K81-E115 PolarHBondContact NZ-OE1 3.23Å; N113-E115 VanDerWaalsContact C-N 3.27Å; N113-E115 PolarHBondContact O-N 3.02Å; N113-E115 PolarHBondContact OD1-N 3.39Å; E115-T118 PolarHBondContact O-N 3.26Å; E115-E119 WeakPolarHBondContact O-CB 3.29Å; E115-E119 WeakPolarHBondContact O-CG 3.44Å; E115-E119 PolarHBondContact O-N 2.99Å |
| 116 | L | 93.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.7 | -39.3 | 178.4 | -67.1 | -176.2 | 0 | 0 | 0 | 112.6 | T84 A108 N113 T118 E119 L120 | T84-L116 HydrophobicContact CG2-CD2 3.77Å; A108-L116 HydrophobicContact CB-CB 4.13Å; N113-L116 HydrophobicContact CB-CB 4.17Å; N113-L116 HydrophobicContact CB-CD1 4.25Å; N113-L116 HydrophobicContact CB-CG 4.31Å; N113-L116 VanDerWaalsContact ND2-CD1 3.35Å; N113-L116 WeakPolarHBondContact ND2-CD1 3.37Å; N113-L116 WeakPolarHBondContact ND2-CG 3.48Å; N113-L116 PolarHBondContact O-N 3.31Å; N113-L116 VanDerWaalsContact O-N 3.1Å; N113-L116 PolarHBondContact OD1-N 3.12Å; N113-L116 VanDerWaalsContact OD1-N 3.09Å; L116-T118 VanDerWaalsContact C-N 3.35Å; L116-E119 PolarHBondContact O-N 2.84Å; L116-L120 VanDerWaalsContact O-CB 3.28Å; L116-L120 WeakPolarHBondContact O-CB 3.47Å; L116-L120 WeakPolarHBondContact O-CD1 3.39Å; L116-L120 WeakPolarHBondContact O-CG 3.3Å; L116-L120 PolarHBondContact O-N 2.83Å |
| 117 | V | 96.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.3 | -50.5 | 174.9 | 172.3 | 0 | 0 | 0 | 0 | 109.9 | L105 A108 N113 E119 L120 L121 I152 L153 | L105-V117 HydrophobicContact CD1-CG1 4.04Å; A108-V117 HydrophobicContact CB-CG2 3.76Å; N113-V117 WeakPolarHBondContact O-CG2 3.49Å; N113-V117 PolarHBondContact O-N 2.77Å; V117-E119 VanDerWaalsContact C-N 3.33Å; V117-E119 PolarHBondContact O-N 2.69Å; V117-L120 PolarHBondContact O-N 2.83Å; V117-L121 HydrophobicContact CG1-CD1 3.9Å; V117-L121 WeakPolarHBondContact O-CD1 3.1Å; V117-L121 VanDerWaalsContact O-CG 3.26Å; V117-L121 WeakPolarHBondContact O-CG 3.42Å; V117-L121 PolarHBondContact O-N 2.87Å; V117-L121 VanDerWaalsContact O-N 3.08Å; V117-I152 HydrophobicContact CG1-CB 4.31Å; V117-I152 HydrophobicContact CG1-CG2 3.79Å; V117-L153 HydrophobicContact CG1-CD2 4.07Å; V117-L153 HydrophobicContact CG1-CG 4.1Å |
| 118 | T | 95.5 | Very high | 93.6 | Very high | 35 Ų | 35 | 37.2 Ų | 37.2 | 22% | 0.215 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.7 | -44.1 | 179.2 | -57.7 | 0 | 0 | 0 | 0 | 112 | A114 E115 L116 L121 H122 | A114-T118 WeakPolarHBondContact O-CB 3.43Å; A114-T118 PolarHBondContact O-N 2.85Å; A114-T118 PolarHBondContact O-OG1 3.22Å; E115-T118 PolarHBondContact O-N 3.26Å; L116-T118 VanDerWaalsContact C-N 3.35Å; T118-L121 PolarHBondContact O-N 2.85Å; T118-H122 VanDerWaalsContact CG2-CE1 3.43Å; T118-H122 WeakPolarHBondContact CG2-CE1 3.41Å; T118-H122 WeakPolarHBondContact CG2-ND1 3.47Å; T118-H122 PolarHBondContact O-N 3.1Å; T118-H122 PolarHBondContact O-ND1 2.77Å |
| 119 | E | 93.9 | Very high | 93.5 | Very high | 18 Ų | 18 | 39 Ų | 39 | 8% | 0.084 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -73.7 | -35.8 | -176.8 | -69.4 | -74.9 | 173.8 | 0 | 0 | 112.8 | K81 R85 E115 L116 V117 L121 G123 | K81-E119 HydrophobicContact CB-CB 4.32Å; K81-E119 HydrophobicContact CB-CG 3.47Å; K81-E119 VanDerWaalsContact CB-CG 3.47Å; K81-E119 WeakPolarHBondContact CD-OE1 3.49Å; R85-E119 IonicContact CZ-OE1 3.96Å; R85-E119 IonicContact CZ-OE2 2.65Å; R85-E119 IonicContact NE-OE1 3.4Å; R85-E119 IonicContact NE-OE2 3.55Å; R85-E119 PolarHBondContact NE-OE2 3.38Å; R85-E119 IonicContact NH2-OE1 3.32Å; R85-E119 PolarHBondContact NH2-OE1 2.92Å; R85-E119 IonicContact NH2-OE2 2.94Å; R85-E119 PolarHBondContact NH2-OE2 3.16Å; E115-E119 WeakPolarHBondContact O-CB 3.29Å; E115-E119 WeakPolarHBondContact O-CG 3.44Å; E115-E119 PolarHBondContact O-N 2.99Å; L116-E119 PolarHBondContact O-N 2.84Å; V117-E119 VanDerWaalsContact C-N 3.33Å; V117-E119 PolarHBondContact O-N 2.69Å; E119-L121 VanDerWaalsContact C-N 3.31Å; E119-G123 PolarHBondContact O-N 2.95Å |
| 120 | L | 94.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.7 | -42.7 | 172.8 | -76.6 | 163.1 | 0 | 0 | 0 | 110.6 | L71 M88 A104 L105 A108 L116 V117 G123 G124 S125 | L71-L120 HydrophobicContact CD1-CD2 4.15Å; L71-L120 HydrophobicContact CD2-CD2 4.34Å; L71-L120 HydrophobicContact CG-CD2 4.31Å; M88-L120 HydrophobicContact CE-CB 4.46Å; M88-L120 HydrophobicContact CE-CD2 3.28Å; M88-L120 HydrophobicContact CE-CG 4.27Å; A104-L120 HydrophobicContact CB-CD1 4.32Å; A104-L120 HydrophobicContact CB-CD2 3.97Å; L105-L120 HydrophobicContact CD1-CB 4.02Å; L105-L120 HydrophobicContact CD1-CD1 4.44Å; A108-L120 HydrophobicContact CB-CD1 3.64Å; L116-L120 VanDerWaalsContact O-CB 3.28Å; L116-L120 WeakPolarHBondContact O-CB 3.47Å; L116-L120 WeakPolarHBondContact O-CD1 3.39Å; L116-L120 WeakPolarHBondContact O-CG 3.3Å; L116-L120 PolarHBondContact O-N 2.83Å; V117-L120 PolarHBondContact O-N 2.83Å; L120-G123 CarbonylContact O-C 3.58Å; L120-G123 PolarHBondContact O-N 3.22Å; L120-G124 PolarHBondContact O-N 3.27Å; L120-S125 WeakPolarHBondContact CB-OG 3.39Å; L120-S125 WeakPolarHBondContact O-CB 3.36Å; L120-S125 PolarHBondContact O-N 3.3Å; L120-S125 PolarHBondContact O-OG 3.24Å |
| 121 | L | 94.9 | Very high | 92.8 | Very high | 17 Ų | 17 | 40.3 Ų | 40.3 | 9% | 0.089 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.4 | -47.8 | 177.8 | -68.1 | 165.5 | 0 | 0 | 0 | 111.9 | L105 V117 T118 E119 G123 G124 V127 I152 L153 H156 | L105-L121 HydrophobicContact CD1-CD2 4.21Å; L105-L121 HydrophobicContact CD1-CG 4.04Å; L105-L121 HydrophobicContact CD2-CD2 3.81Å; V117-L121 HydrophobicContact CG1-CD1 3.9Å; V117-L121 WeakPolarHBondContact O-CD1 3.1Å; V117-L121 VanDerWaalsContact O-CG 3.26Å; V117-L121 WeakPolarHBondContact O-CG 3.42Å; V117-L121 PolarHBondContact O-N 2.87Å; V117-L121 VanDerWaalsContact O-N 3.08Å; T118-L121 PolarHBondContact O-N 2.85Å; E119-L121 VanDerWaalsContact C-N 3.31Å; L121-G123 PolarHBondContact O-N 3.1Å; L121-G124 PolarHBondContact O-N 3.4Å; L121-V127 HydrophobicContact CD2-CB 3.72Å; L121-V127 HydrophobicContact CD2-CG2 3.96Å; L121-I152 HydrophobicContact CD1-CG2 4.03Å; L121-L153 HydrophobicContact CD1-CD2 4.23Å; L121-H156 HydrophobicContact CD1-CB 3.79Å |
| 122 | H | 92.5 | Very high | 92.6 | Very high | 128 Ų | 128 | 39.3 Ų | 39.3 | 59% | 0.593 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -60.9 | -31.6 | 173.3 | -72.5 | 125.1 | 0 | 0 | 0 | 112.9 | T118 G124 H156 | T118-H122 VanDerWaalsContact CG2-CE1 3.43Å; T118-H122 WeakPolarHBondContact CG2-CE1 3.41Å; T118-H122 WeakPolarHBondContact CG2-ND1 3.47Å; T118-H122 PolarHBondContact O-N 3.1Å; T118-H122 PolarHBondContact O-ND1 2.77Å; H122-G124 PolarHBondContact O-N 2.85Å; H122-H156 AromaticContact CE1-CE1 3.97Å; H122-H156 AromaticContact NE2-CE1 3.69Å |
| 123 | G | 86.8 | Confident | 92 | Very high | 37 Ų | 37 | 37 Ų | 37 | 38% | 0.381 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | 5.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | M88 E119 L120 L121 | M88-G123 VanDerWaalsContact SD-CA 3.59Å; E119-G123 PolarHBondContact O-N 2.95Å; L120-G123 CarbonylContact O-C 3.58Å; L120-G123 PolarHBondContact O-N 3.22Å; L121-G123 PolarHBondContact O-N 3.1Å |
| 124 | G | 87.3 | Confident | 91.8 | Very high | 59 Ų | 59 | 36 Ų | 36 | 61% | 0.608 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87.6 | 21.4 | 176 | 0 | 0 | 0 | 0 | 0 | 114.6 | L120 L121 H122 D126 | L120-G124 PolarHBondContact O-N 3.27Å; L121-G124 PolarHBondContact O-N 3.4Å; H122-G124 PolarHBondContact O-N 2.85Å; G124-D126 PolarHBondContact O-N 3.13Å |
| 125 | S | 93.8 | Very high | 91.8 | Very high | 12 Ų | 12 | 34.4 Ų | 34.4 | 8% | 0.084 | 20% | 0.204 | C | C | . | . | trans | -65.4 | 132 | 166.1 | -55.9 | 0 | 0 | 0 | 0 | 109.5 | P94 L120 V127 | P94-S125 WeakPolarHBondContact CB-OG 3.47Å; L120-S125 WeakPolarHBondContact CB-OG 3.39Å; L120-S125 WeakPolarHBondContact O-CB 3.36Å; L120-S125 PolarHBondContact O-N 3.3Å; L120-S125 PolarHBondContact O-OG 3.24Å; S125-V127 PolarHBondContact O-N 3.12Å | ||
| 126 | D | 92.9 | Very high | 92 | Very high | 89 Ų | 89 | 30.3 Ų | 30.3 | 48% | 0.476 | 19% | 0.185 | S | C | . | . | trans | -73.9 | 114.1 | 173.9 | 176.4 | 10.7 | 0 | 0 | 0 | 109.6 | G124 Q128 Q129 | G124-D126 PolarHBondContact O-N 3.13Å; D126-Q128 PolarHBondContact O-N 2.89Å; D126-Q128 WeakPolarHBondContact OD1-CB 3.47Å; D126-Q128 PolarHBondContact OD1-N 3.07Å; D126-Q129 HydrophobicContact CB-CB 4.04Å; D126-Q129 WeakPolarHBondContact O-CB 3.5Å; D126-Q129 PolarHBondContact O-N 3.14Å; D126-Q129 VanDerWaalsContact O-N 3.15Å | ||
| 127 | V | 96.1 | Very high | 92.2 | Very high | 20 Ų | 20 | 30.4 Ų | 30.4 | 12% | 0.121 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -24.9 | 179.2 | 68.1 | 0 | 0 | 0 | 0 | 112.4 | L121 S125 L153 A158 | L121-V127 HydrophobicContact CD2-CB 3.72Å; L121-V127 HydrophobicContact CD2-CG2 3.96Å; S125-V127 PolarHBondContact O-N 3.12Å; V127-L153 HydrophobicContact CG2-CD2 3.97Å; V127-A158 HydrophobicContact CG2-CB 3.73Å |
| 128 | Q | 95.3 | Very high | 92.3 | Very high | 39 Ų | 39 | 30.5 Ų | 30.5 | 18% | 0.182 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -1.1 | -178.3 | -57.1 | -56.2 | 85.2 | 0 | 0 | 113.2 | D126 V130 A158 F159 | D126-Q128 PolarHBondContact O-N 2.89Å; D126-Q128 WeakPolarHBondContact OD1-CB 3.47Å; D126-Q128 PolarHBondContact OD1-N 3.07Å; Q128-V130 PolarHBondContact O-N 3.07Å; Q128-A158 VanDerWaalsContact OE1-CA 3.31Å; Q128-F159 HydrophobicContact CG-CE2 4.33Å; Q128-F159 HydrophobicContact CG-CZ 4.4Å; Q128-F159 VanDerWaalsContact NE2-CB 3.3Å; Q128-F159 VanDerWaalsContact NE2-CE2 3.3Å |
| 129 | Q | 92.8 | Very high | 92.4 | Very high | 36 Ų | 36 | 28.8 Ų | 28.8 | 17% | 0.168 | 18% | 0.176 | C | C | . | . | trans | -63 | 127.3 | -178 | -176 | 170.5 | -2.7 | 0 | 0 | 110.7 | S95 T103 H106 D126 | S95-Q129 PolarHBondContact O-NE2 3.15Å; T103-Q129 VanDerWaalsContact CG2-CD 3.44Å; T103-Q129 HydrophobicContact CG2-CG 4.05Å; H106-Q129 PolarHBondContact CE1-O 2.92Å; D126-Q129 HydrophobicContact CB-CB 4.04Å; D126-Q129 WeakPolarHBondContact O-CB 3.5Å; D126-Q129 PolarHBondContact O-N 3.14Å; D126-Q129 VanDerWaalsContact O-N 3.15Å | ||
| 130 | V | 91.1 | Very high | 92.6 | Very high | 52 Ų | 52 | 28 Ų | 28 | 32% | 0.315 | 17% | 0.172 | S | C | . | . | trans | -87.6 | 141 | 176.8 | -63.5 | 0 | 0 | 0 | 0 | 111.9 | Q128 L135 T136 | Q128-V130 PolarHBondContact O-N 3.07Å; V130-L135 CarbonylContact C-O 3.51Å; V130-L135 VanDerWaalsContact CA-O 3.28Å; V130-L135 WeakPolarHBondContact CA-O 3.22Å; V130-T136 HydrophobicContact CG1-CG2 4.02Å | ||
| 131 | G | 88.7 | Confident | 92.8 | Very high | 14 Ų | 14 | 28 Ų | 28 | 14% | 0.144 | 17% | 0.172 | C | C | . | . | trans | -104.9 | -148.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G101 H106 G133 A134 L135 | G101-G131 CarbonylContact O-C 3.51Å; G101-G131 VanDerWaalsContact O-C 3.32Å; G101-G131 WeakPolarHBondContact O-CA 3.48Å; H106-G131 PolarHBondContact CE1-N 3.28Å; G131-G133 PolarHBondContact O-N 2.97Å; G131-A134 PolarHBondContact O-N 3.47Å; G131-L135 PolarHBondContact N-O 2.91Å | ||
| 132 | Y | 87.3 | Confident | 92.9 | Very high | 57 Ų | 57 | 27.1 Ų | 27.1 | 22% | 0.224 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -58.6 | 135.5 | 175.5 | -176.1 | -94.2 | 0 | 0 | 0 | 111.1 | I27 K30 N100 G101 A134 L135 | I27-Y132 HydrophobicContact CG1-CD1 3.85Å; I27-Y132 HydrophobicContact CG1-CE1 3.9Å; K30-Y132 HydrophobicContact CD-CD1 4.08Å; K30-Y132 HydrophobicContact CD-CD2 4.33Å; K30-Y132 HydrophobicContact CD-CE1 3.86Å; K30-Y132 HydrophobicContact CD-CE2 4.11Å; K30-Y132 HydrophobicContact CD-CG 4.31Å; N100-Y132 WeakPolarHBondContact O-CB 3.43Å; G101-Y132 PolarHBondContact O-N 3.11Å; Y132-A134 VanDerWaalsContact C-N 3.29Å; Y132-A134 PolarHBondContact O-N 3.43Å; Y132-L135 WeakPolarHBondContact O-CD1 3.41Å; Y132-L135 PolarHBondContact O-N 3.43Å |
| 133 | G | 80.6 | Confident | 93.1 | Very high | 6 Ų | 6 | 21.3 Ų | 21.3 | 6% | 0.062 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | 70.6 | 18.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | G131 L135 A165 F766 | G131-G133 PolarHBondContact O-N 2.97Å; G133-L135 PolarHBondContact O-N 2.88Å; G133-A165 WeakPolarHBondContact O-CB 3.33Å; G133-A165 PolarHBondContact O-N 3.42Å; G133-F766 VanDerWaalsContact CA-CE1 3.44Å |
| 134 | A | 88.1 | Confident | 93.5 | Very high | 17 Ų | 17 | 21 Ų | 21 | 14% | 0.14 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | 60.6 | 19.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114 | G131 Y132 A165 | G131-A134 PolarHBondContact O-N 3.47Å; Y132-A134 VanDerWaalsContact C-N 3.29Å; Y132-A134 PolarHBondContact O-N 3.43Å; A134-A165 HydrophobicContact CB-CB 4.14Å |
| 135 | L | 93.3 | Very high | 94 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -70.5 | 139.6 | 174.8 | -80.1 | 86.5 | 0 | 0 | 0 | 110.1 | I27 H106 V130 G131 Y132 G133 H139 V140 L143 | I27-L135 HydrophobicContact CD1-CD1 3.53Å; I27-L135 HydrophobicContact CD1-CD2 4.48Å; I27-L135 HydrophobicContact CG1-CD1 4.34Å; I27-L135 HydrophobicContact CG2-CD2 4.02Å; H106-L135 PolarHBondContact NE2-O 2.97Å; V130-L135 CarbonylContact C-O 3.51Å; V130-L135 VanDerWaalsContact CA-O 3.28Å; V130-L135 WeakPolarHBondContact CA-O 3.22Å; G131-L135 PolarHBondContact N-O 2.91Å; Y132-L135 WeakPolarHBondContact O-CD1 3.41Å; Y132-L135 PolarHBondContact O-N 3.43Å; G133-L135 PolarHBondContact O-N 2.88Å; L135-H139 HydrophobicContact CB-CB 3.99Å; L135-H139 HydrophobicContact CD2-CB 3.91Å; L135-H139 HydrophobicContact CG-CB 3.89Å; L135-V140 HydrophobicContact CB-CG2 4.29Å; L135-V140 HydrophobicContact CD2-CG2 4.01Å; L135-L143 HydrophobicContact CD2-CD2 4.44Å | ||
| 136 | T | 97.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | trans | -95.1 | 170.8 | 166.7 | 60.3 | 0 | 0 | 0 | 0 | 109.4 | H106 V130 L138 H139 V140 V162 | H106-T136 VanDerWaalsContact NE2-C 3.25Å; V130-T136 HydrophobicContact CG1-CG2 4.02Å; T136-L138 PolarHBondContact O-N 3.01Å; T136-L138 PolarHBondContact OG1-N 3.2Å; T136-H139 PolarHBondContact N-ND1 3.33Å; T136-H139 VanDerWaalsContact N-ND1 3.18Å; T136-H139 WeakPolarHBondContact O-CB 3.46Å; T136-H139 PolarHBondContact O-N 3.48Å; T136-H139 PolarHBondContact OG1-N 2.69Å; T136-H139 PolarHBondContact OG1-ND1 3.08Å; T136-V140 PolarHBondContact O-N 3.39Å; T136-V140 VanDerWaalsContact O-N 3.1Å; T136-V162 HydrophobicContact CG2-CG1 4.35Å; T136-V162 HydrophobicContact CG2-CG2 4.04Å | ||
| 137 | A | 97.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.008 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -57.2 | -32.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L105 H106 A109 V140 A141 L153 | L105-A137 HydrophobicContact CD2-CB 3.91Å; L105-A137 HydrophobicContact CG-CB 3.73Å; H106-A137 PolarHBondContact NE2-N 3.4Å; A109-A137 HydrophobicContact CB-CB 4.28Å; A137-V140 PolarHBondContact O-N 3.03Å; A137-A141 PolarHBondContact O-N 2.96Å; A137-L153 VanDerWaalsContact C-CD1 3.49Å; A137-L153 HydrophobicContact CB-CD1 3.9Å; A137-L153 HydrophobicContact CB-CD2 3.75Å; A137-L153 WeakPolarHBondContact O-CD1 3.23Å |
| 138 | L | 98.4 | Very high | 94.3 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.2 | -40.4 | 176.1 | -179.1 | 61.7 | 0 | 0 | 0 | 111.9 | T136 V140 T142 A150 L153 L154 A158 P170 L186 | T136-L138 PolarHBondContact O-N 3.01Å; T136-L138 PolarHBondContact OG1-N 3.2Å; L138-V140 VanDerWaalsContact C-N 3.34Å; L138-T142 VanDerWaalsContact O-CB 3.32Å; L138-T142 WeakPolarHBondContact O-CB 3.35Å; L138-T142 PolarHBondContact O-N 3.46Å; L138-T142 PolarHBondContact O-OG1 3.31Å; L138-A150 HydrophobicContact CD1-CB 4.04Å; L138-L153 HydrophobicContact CB-CD1 4.45Å; L138-L153 HydrophobicContact CD1-CB 4.41Å; L138-L154 HydrophobicContact CD1-CD1 4.42Å; L138-L154 HydrophobicContact CD1-CD2 4.28Å; L138-L154 HydrophobicContact CD1-CG 4.01Å; L138-L154 HydrophobicContact CD2-CD2 3.71Å; L138-L154 HydrophobicContact CD2-CG 4.34Å; L138-A158 HydrophobicContact CB-CB 4.22Å; L138-A158 HydrophobicContact CD2-CB 3.92Å; L138-P170 HydrophobicContact CD2-CB 4.32Å; L138-P170 HydrophobicContact CD2-CG 3.71Å; L138-P170 HydrophobicContact CG-CB 4.22Å; L138-P170 HydrophobicContact CG-CG 3.83Å; L138-L186 HydrophobicContact CD1-CD2 4.39Å; L138-L186 HydrophobicContact CD2-CD2 4.38Å |
| 139 | H | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.6 | -43 | 173 | -70.2 | 111.5 | 0 | 0 | 0 | 111.4 | L135 T136 T142 L143 V162 F168 I173 | L135-H139 HydrophobicContact CB-CB 3.99Å; L135-H139 HydrophobicContact CD2-CB 3.91Å; L135-H139 HydrophobicContact CG-CB 3.89Å; T136-H139 PolarHBondContact N-ND1 3.33Å; T136-H139 VanDerWaalsContact N-ND1 3.18Å; T136-H139 WeakPolarHBondContact O-CB 3.46Å; T136-H139 PolarHBondContact O-N 3.48Å; T136-H139 PolarHBondContact OG1-N 2.69Å; T136-H139 PolarHBondContact OG1-ND1 3.08Å; H139-T142 PolarHBondContact O-N 3.14Å; H139-L143 VanDerWaalsContact O-CB 3.31Å; H139-L143 WeakPolarHBondContact O-CB 3.13Å; H139-L143 PolarHBondContact O-N 3.38Å; H139-V162 WeakPolarHBondContact CE1-CG1 3.48Å; H139-V162 PolarHBondContact NE2-O 3.18Å; H139-F168 PolarHBondContact NE2-O 3.47Å; H139-I173 HydrophobicContact CB-CD1 4.17Å |
| 140 | V | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.4 | -45.3 | 179.8 | 173.8 | 0 | 0 | 0 | 0 | 112 | L31 Y110 L135 T136 A137 L138 T142 L143 A144 | L31-V140 HydrophobicContact CD1-CG1 4.05Å; L31-V140 HydrophobicContact CD1-CG2 4.48Å; L31-V140 HydrophobicContact CD2-CG1 4.37Å; Y110-V140 HydrophobicContact CD2-CG1 3.95Å; Y110-V140 HydrophobicContact CG-CG1 4.23Å; L135-V140 HydrophobicContact CB-CG2 4.29Å; L135-V140 HydrophobicContact CD2-CG2 4.01Å; T136-V140 PolarHBondContact O-N 3.39Å; T136-V140 VanDerWaalsContact O-N 3.1Å; A137-V140 PolarHBondContact O-N 3.03Å; L138-V140 VanDerWaalsContact C-N 3.34Å; V140-T142 VanDerWaalsContact C-N 3.26Å; V140-T142 PolarHBondContact O-N 3.27Å; V140-L143 PolarHBondContact O-N 3.42Å; V140-A144 PolarHBondContact O-N 3.48Å; V140-A144 VanDerWaalsContact O-N 3.12Å |
| 141 | A | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58 | -42.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | A109 A137 A144 G145 H146 A149 A150 L153 | A109-A141 HydrophobicContact CB-CB 4.27Å; A137-A141 PolarHBondContact O-N 2.96Å; A141-A144 PolarHBondContact O-N 2.78Å; A141-G145 PolarHBondContact O-N 3.31Å; A141-H146 PolarHBondContact O-N 3.08Å; A141-A149 HydrophobicContact CB-CB 4.01Å; A141-A150 HydrophobicContact CB-CB 4.16Å; A141-L153 HydrophobicContact CB-CD1 4.08Å |
| 142 | T | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -69.3 | -38.9 | 179.3 | -54 | 0 | 0 | 0 | 0 | 112.5 | L138 H139 V140 A144 G145 P170 I173 A174 H179 V182 L186 | L138-T142 VanDerWaalsContact O-CB 3.32Å; L138-T142 WeakPolarHBondContact O-CB 3.35Å; L138-T142 PolarHBondContact O-N 3.46Å; L138-T142 PolarHBondContact O-OG1 3.31Å; H139-T142 PolarHBondContact O-N 3.14Å; V140-T142 VanDerWaalsContact C-N 3.26Å; V140-T142 PolarHBondContact O-N 3.27Å; T142-A144 VanDerWaalsContact C-N 3.3Å; T142-A144 PolarHBondContact O-N 3.31Å; T142-G145 PolarHBondContact O-N 2.89Å; T142-P170 HydrophobicContact CG2-CB 4.43Å; T142-P170 WeakPolarHBondContact CG2-O 3.46Å; T142-I173 HydrophobicContact CG2-CB 4.04Å; T142-I173 HydrophobicContact CG2-CG2 4.04Å; T142-A174 HydrophobicContact CG2-CB 3.74Å; T142-H179 PolarHBondContact O-CD2 3.05Å; T142-V182 HydrophobicContact CG2-CG1 3.72Å; T142-L186 HydrophobicContact CG2-CD1 4.29Å |
| 143 | L | 96.6 | Very high | 96 | Very high | 6 Ų | 6 | 17 Ų | 17 | 3% | 0.031 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.4 | -43.3 | 176.6 | -176.4 | 66.4 | 0 | 0 | 0 | 111.3 | Y24 I27 I28 L135 H139 V140 I173 Y177 H179 | Y24-L143 HydrophobicContact CD1-CD1 3.95Å; Y24-L143 HydrophobicContact CG-CD1 4.19Å; I27-L143 HydrophobicContact CG2-CD2 3.93Å; I28-L143 HydrophobicContact CD1-CD1 4.36Å; I28-L143 HydrophobicContact CD1-CD2 4.37Å; I28-L143 HydrophobicContact CD1-CG 4.31Å; I28-L143 HydrophobicContact CG1-CD2 3.79Å; I28-L143 HydrophobicContact CG1-CG 4.21Å; L135-L143 HydrophobicContact CD2-CD2 4.44Å; H139-L143 VanDerWaalsContact O-CB 3.31Å; H139-L143 WeakPolarHBondContact O-CB 3.13Å; H139-L143 PolarHBondContact O-N 3.38Å; V140-L143 PolarHBondContact O-N 3.42Å; L143-I173 HydrophobicContact CB-CG2 4.16Å; L143-I173 HydrophobicContact CD1-CG2 4.04Å; L143-Y177 HydrophobicContact CD1-CD2 3.98Å; L143-Y177 HydrophobicContact CD1-CE2 3.27Å; L143-H179 PolarHBondContact O-NE2 3.15Å |
| 144 | A | 95.6 | Very high | 96.8 | Very high | 30 Ų | 30 | 17.1 Ų | 17.1 | 25% | 0.248 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -82.9 | -9.1 | -180 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y110 V140 A141 T142 H146 | Y110-A144 HydrophobicContact CD2-CB 3.92Å; Y110-A144 HydrophobicContact CE2-CB 4.08Å; V140-A144 PolarHBondContact O-N 3.48Å; V140-A144 VanDerWaalsContact O-N 3.12Å; A141-A144 PolarHBondContact O-N 2.78Å; T142-A144 VanDerWaalsContact C-N 3.3Å; T142-A144 PolarHBondContact O-N 3.31Å; A144-H146 WeakPolarHBondContact CB-CD2 3.41Å; A144-H146 WeakPolarHBondContact CB-NE2 3.43Å |
| 145 | G | 96.8 | Very high | 97.3 | Very high | 24 Ų | 24 | 22 Ų | 22 | 25% | 0.247 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 18.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | A141 T142 H147 H179 | A141-G145 PolarHBondContact O-N 3.31Å; T142-G145 PolarHBondContact O-N 2.89Å; G145-H147 PolarHBondContact O-N 3.24Å; G145-H179 PolarHBondContact N-NE2 3.3Å |
| 146 | H | 97.3 | Very high | 97.5 | Very high | 44 Ų | 44 | 25.3 Ų | 25.3 | 20% | 0.204 | 13% | 0.132 | C | C | . | . | trans | -82.2 | 97.5 | -175.9 | -68.2 | -36.8 | 0 | 0 | 0 | 111.6 | A109 Y110 D112 A141 A144 A149 A150 | A109-H146 PolarHBondContact O-CD2 3.48Å; Y110-H146 PolarHBondContact O-CD2 3.36Å; Y110-H146 PolarHBondContact O-NE2 3.38Å; D112-H146 HydrophobicContact CB-CB 4.05Å; D112-H146 WeakPolarHBondContact CB-ND1 3.08Å; D112-H146 VanDerWaalsContact CG-CG 3.43Å; D112-H146 VanDerWaalsContact CG-ND1 3.32Å; D112-H146 WeakPolarHBondContact OD1-CB 3.13Å; D112-H146 IonicContact OD1-CG 3.8Å; D112-H146 IonicContact OD2-CE1 2.66Å; D112-H146 IonicContact OD2-CG 2.95Å; D112-H146 IonicContact OD2-ND1 2.64Å; D112-H146 PolarHBondContact OD2-ND1 3.08Å; A141-H146 PolarHBondContact O-N 3.08Å; A144-H146 WeakPolarHBondContact CB-CD2 3.41Å; A144-H146 WeakPolarHBondContact CB-NE2 3.43Å; H146-A149 HydrophobicContact CB-CB 4.13Å; H146-A150 WeakPolarHBondContact O-CB 3.48Å; H146-A150 PolarHBondContact O-N 3Å; H146-A150 VanDerWaalsContact O-N 3.15Å | ||
| 147 | H | 95.8 | Very high | 97.4 | Very high | 61 Ų | 61 | 27.3 Ų | 27.3 | 28% | 0.282 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -67 | -44.8 | -174.1 | 174.9 | 71.8 | 0 | 0 | 0 | 112.5 | G145 A150 D151 Q181 V182 | G145-H147 PolarHBondContact O-N 3.24Å; H147-A150 PolarHBondContact O-N 2.92Å; H147-D151 PolarHBondContact O-N 3.1Å; H147-Q181 PolarHBondContact ND1-O 3.44Å; H147-V182 HydrophobicContact CB-CG2 4.43Å |
| 148 | E | 96.8 | Very high | 97.4 | Very high | 101 Ų | 101 | 27.7 Ų | 27.7 | 47% | 0.472 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -65.3 | -46.8 | -177.3 | -70.5 | 72.6 | -168.7 | 0 | 0 | 111.2 | A150 D151 I152 | E148-A150 VanDerWaalsContact C-N 3.34Å; E148-A150 PolarHBondContact O-N 3.4Å; E148-D151 PolarHBondContact O-N 3.19Å; E148-I152 WeakPolarHBondContact O-CG1 3.42Å; E148-I152 PolarHBondContact O-N 3.49Å; E148-I152 VanDerWaalsContact O-N 3.14Å |
| 149 | A | 97.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.3 | -43.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | D112 A141 H146 L153 | D112-A149 PolarHBondContact OD1-N 3.06Å; A141-A149 HydrophobicContact CB-CB 4.01Å; H146-A149 HydrophobicContact CB-CB 4.13Å; A149-L153 WeakPolarHBondContact O-CB 3.39Å; A149-L153 WeakPolarHBondContact O-CD1 3.41Å; A149-L153 WeakPolarHBondContact O-CG 3.48Å; A149-L153 PolarHBondContact O-N 3.46Å; A149-L153 VanDerWaalsContact O-N 3.08Å |
| 150 | A | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.5 | -40.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L138 A141 H146 H147 E148 L153 L154 V182 L185 | L138-A150 HydrophobicContact CD1-CB 4.04Å; A141-A150 HydrophobicContact CB-CB 4.16Å; H146-A150 WeakPolarHBondContact O-CB 3.48Å; H146-A150 PolarHBondContact O-N 3Å; H146-A150 VanDerWaalsContact O-N 3.15Å; H147-A150 PolarHBondContact O-N 2.92Å; E148-A150 VanDerWaalsContact C-N 3.34Å; E148-A150 PolarHBondContact O-N 3.4Å; A150-L153 PolarHBondContact O-N 3.39Å; A150-L154 WeakPolarHBondContact O-CB 3.42Å; A150-L154 WeakPolarHBondContact O-CD1 3.48Å; A150-L154 VanDerWaalsContact O-CG 3.29Å; A150-L154 WeakPolarHBondContact O-CG 3.42Å; A150-L154 PolarHBondContact O-N 3.49Å; A150-V182 HydrophobicContact CB-CG1 4.3Å; A150-L185 HydrophobicContact CB-CD2 3.98Å |
| 151 | D | 98.1 | Very high | 97.2 | Very high | 41 Ų | 41 | 38.1 Ų | 38.1 | 22% | 0.219 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.8 | -46.9 | 178.6 | -174.6 | 37.7 | 0 | 0 | 0 | 111.3 | H147 E148 L153 L154 Q155 L185 | H147-D151 PolarHBondContact O-N 3.1Å; E148-D151 PolarHBondContact O-N 3.19Å; D151-L153 PolarHBondContact O-N 3.18Å; D151-L154 PolarHBondContact O-N 3.48Å; D151-Q155 WeakPolarHBondContact O-CB 3.17Å; D151-Q155 VanDerWaalsContact O-CG 3.27Å; D151-Q155 WeakPolarHBondContact O-CG 3.31Å; D151-Q155 PolarHBondContact O-N 3.03Å; D151-Q155 PolarHBondContact OD1-NE2 3.18Å; D151-Q155 PolarHBondContact OD2-NE2 3.48Å; D151-L185 HydrophobicContact CB-CD1 4.22Å; D151-L185 HydrophobicContact CB-CD2 3.75Å |
| 152 | I | 98.1 | Very high | 97 | Very high | 23 Ų | 23 | 39.4 Ų | 39.4 | 12% | 0.118 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.3 | -45.3 | 177.4 | -66.4 | 163.7 | 0 | 0 | 0 | 110.9 | A114 V117 L121 E148 L154 Q155 H156 | A114-I152 HydrophobicContact CB-CD1 3.42Å; A114-I152 VanDerWaalsContact CB-CD1 3.42Å; V117-I152 HydrophobicContact CG1-CB 4.31Å; V117-I152 HydrophobicContact CG1-CG2 3.79Å; L121-I152 HydrophobicContact CD1-CG2 4.03Å; E148-I152 WeakPolarHBondContact O-CG1 3.42Å; E148-I152 PolarHBondContact O-N 3.49Å; E148-I152 VanDerWaalsContact O-N 3.14Å; I152-L154 VanDerWaalsContact C-N 3.35Å; I152-L154 PolarHBondContact O-N 3.43Å; I152-Q155 PolarHBondContact O-N 3.45Å; I152-H156 WeakPolarHBondContact O-CB 3.34Å; I152-H156 PolarHBondContact O-CD2 3.28Å; I152-H156 VanDerWaalsContact O-CD2 3.28Å; I152-H156 PolarHBondContact O-N 3.04Å |
| 153 | L | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.3 | -44.5 | 179 | -71.3 | 164.5 | 0 | 0 | 0 | 111.6 | L105 A109 V117 L121 V127 A137 L138 A141 A149 A150 D151 H156 G157 A158 | L105-L153 HydrophobicContact CD1-CD2 4.28Å; L105-L153 HydrophobicContact CD2-CD2 4.23Å; L105-L153 HydrophobicContact CG-CD2 4.4Å; A109-L153 HydrophobicContact CB-CD1 4.27Å; V117-L153 HydrophobicContact CG1-CD2 4.07Å; V117-L153 HydrophobicContact CG1-CG 4.1Å; L121-L153 HydrophobicContact CD1-CD2 4.23Å; V127-L153 HydrophobicContact CG2-CD2 3.97Å; A137-L153 VanDerWaalsContact C-CD1 3.49Å; A137-L153 HydrophobicContact CB-CD1 3.9Å; A137-L153 HydrophobicContact CB-CD2 3.75Å; A137-L153 WeakPolarHBondContact O-CD1 3.23Å; L138-L153 HydrophobicContact CB-CD1 4.45Å; L138-L153 HydrophobicContact CD1-CB 4.41Å; A141-L153 HydrophobicContact CB-CD1 4.08Å; A149-L153 WeakPolarHBondContact O-CB 3.39Å; A149-L153 WeakPolarHBondContact O-CD1 3.41Å; A149-L153 WeakPolarHBondContact O-CG 3.48Å; A149-L153 PolarHBondContact O-N 3.46Å; A149-L153 VanDerWaalsContact O-N 3.08Å; A150-L153 PolarHBondContact O-N 3.39Å; D151-L153 PolarHBondContact O-N 3.18Å; L153-H156 CarbonylContact O-C 3.53Å; L153-H156 PolarHBondContact O-N 2.8Å; L153-G157 PolarHBondContact O-N 3.26Å; L153-A158 HydrophobicContact CB-CB 4.11Å; L153-A158 WeakPolarHBondContact O-CB 3.47Å; L153-A158 PolarHBondContact O-N 2.98Å |
| 154 | L | 98.1 | Very high | 96.3 | Very high | 8 Ų | 8 | 43.3 Ų | 43.3 | 4% | 0.042 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.4 | -42.8 | 177.5 | -71.3 | 165.3 | 0 | 0 | 0 | 112.3 | L138 A150 D151 I152 H156 G157 V160 L185 L186 F189 | L138-L154 HydrophobicContact CD1-CD1 4.42Å; L138-L154 HydrophobicContact CD1-CD2 4.28Å; L138-L154 HydrophobicContact CD1-CG 4.01Å; L138-L154 HydrophobicContact CD2-CD2 3.71Å; L138-L154 HydrophobicContact CD2-CG 4.34Å; A150-L154 WeakPolarHBondContact O-CB 3.42Å; A150-L154 WeakPolarHBondContact O-CD1 3.48Å; A150-L154 VanDerWaalsContact O-CG 3.29Å; A150-L154 WeakPolarHBondContact O-CG 3.42Å; A150-L154 PolarHBondContact O-N 3.49Å; D151-L154 PolarHBondContact O-N 3.48Å; I152-L154 VanDerWaalsContact C-N 3.35Å; I152-L154 PolarHBondContact O-N 3.43Å; L154-H156 PolarHBondContact O-N 3.09Å; L154-G157 PolarHBondContact O-N 2.94Å; L154-V160 HydrophobicContact CD2-CB 4.01Å; L154-V160 HydrophobicContact CD2-CG2 4.08Å; L154-L185 HydrophobicContact CD1-CD2 3.99Å; L154-L185 HydrophobicContact CD1-CG 3.84Å; L154-L186 HydrophobicContact CD1-CD2 4.09Å; L154-L186 HydrophobicContact CD2-CD2 4.39Å; L154-F189 HydrophobicContact CB-CD1 3.86Å; L154-F189 HydrophobicContact CB-CD2 4.01Å; L154-F189 HydrophobicContact CB-CE1 3.84Å; L154-F189 HydrophobicContact CB-CE2 3.98Å; L154-F189 HydrophobicContact CB-CG 3.94Å; L154-F189 HydrophobicContact CB-CZ 3.9Å; L154-F189 HydrophobicContact CD1-CB 4.27Å; L154-F189 HydrophobicContact CD1-CD2 3.72Å; L154-F189 HydrophobicContact CD1-CE2 4.23Å; L154-F189 HydrophobicContact CD1-CG 4.02Å; L154-F189 HydrophobicContact CD2-CB 4.2Å; L154-F189 HydrophobicContact CD2-CG 4.33Å; L154-F189 HydrophobicContact CG-CD2 4.39Å; L154-F189 HydrophobicContact CG-CG 4.33Å |
| 155 | Q | 97.6 | Very high | 95.7 | Very high | 119 Ų | 119 | 42 Ų | 42 | 56% | 0.556 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -61.7 | -31.4 | 175.4 | -71.6 | 176.7 | 26.2 | 0 | 0 | 112.5 | D151 I152 G157 F189 | D151-Q155 WeakPolarHBondContact O-CB 3.17Å; D151-Q155 VanDerWaalsContact O-CG 3.27Å; D151-Q155 WeakPolarHBondContact O-CG 3.31Å; D151-Q155 PolarHBondContact O-N 3.03Å; D151-Q155 PolarHBondContact OD1-NE2 3.18Å; D151-Q155 PolarHBondContact OD2-NE2 3.48Å; I152-Q155 PolarHBondContact O-N 3.45Å; Q155-G157 VanDerWaalsContact C-N 3.26Å; Q155-G157 PolarHBondContact O-N 3.38Å; Q155-F189 HydrophobicContact CG-CZ 3.88Å |
| 156 | H | 97.3 | Very high | 94.9 | Very high | 71 Ų | 71 | 41 Ų | 41 | 33% | 0.329 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 15 | 174.6 | -81.3 | -96.7 | 0 | 0 | 0 | 114 | L121 H122 I152 L153 L154 | L121-H156 HydrophobicContact CD1-CB 3.79Å; H122-H156 AromaticContact CE1-CE1 3.97Å; H122-H156 AromaticContact NE2-CE1 3.69Å; I152-H156 WeakPolarHBondContact O-CB 3.34Å; I152-H156 PolarHBondContact O-CD2 3.28Å; I152-H156 VanDerWaalsContact O-CD2 3.28Å; I152-H156 PolarHBondContact O-N 3.04Å; L153-H156 CarbonylContact O-C 3.53Å; L153-H156 PolarHBondContact O-N 2.8Å; L154-H156 PolarHBondContact O-N 3.09Å |
| 157 | G | 95.3 | Very high | 94.4 | Very high | 42 Ų | 42 | 41.4 Ų | 41.4 | 43% | 0.433 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.7 | 19.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | L153 L154 Q155 F159 | L153-G157 PolarHBondContact O-N 3.26Å; L154-G157 PolarHBondContact O-N 2.94Å; Q155-G157 VanDerWaalsContact C-N 3.26Å; Q155-G157 PolarHBondContact O-N 3.38Å; G157-F159 PolarHBondContact O-N 2.84Å |
| 158 | A | 97.4 | Very high | 94.3 | Very high | 9 Ų | 9 | 38.6 Ų | 38.6 | 7% | 0.074 | 20% | 0.198 | C | C | . | . | trans | -57.3 | 129.9 | 170 | 0 | 0 | 0 | 0 | 0 | 110.6 | V127 Q128 L138 L153 V160 | V127-A158 HydrophobicContact CG2-CB 3.73Å; Q128-A158 VanDerWaalsContact OE1-CA 3.31Å; L138-A158 HydrophobicContact CB-CB 4.22Å; L138-A158 HydrophobicContact CD2-CB 3.92Å; L153-A158 HydrophobicContact CB-CB 4.11Å; L153-A158 WeakPolarHBondContact O-CB 3.47Å; L153-A158 PolarHBondContact O-N 2.98Å; A158-V160 PolarHBondContact O-N 3.16Å; A158-V160 VanDerWaalsContact O-N 3.11Å | ||
| 159 | F | 97.1 | Very high | 94.4 | Very high | 134 Ų | 134 | 33.8 Ų | 33.8 | 59% | 0.588 | 18% | 0.176 | S | C | * | . | trans | -68.4 | 114.2 | 178.1 | -61.9 | -17.9 | 0 | 0 | 0 | 110.2 | Q128 G157 N161 V162 | Q128-F159 HydrophobicContact CG-CE2 4.33Å; Q128-F159 HydrophobicContact CG-CZ 4.4Å; Q128-F159 VanDerWaalsContact NE2-CB 3.3Å; Q128-F159 VanDerWaalsContact NE2-CE2 3.3Å; G157-F159 PolarHBondContact O-N 2.84Å; F159-N161 PolarHBondContact O-N 2.83Å; F159-V162 HydrophobicContact CB-CB 4.22Å; F159-V162 VanDerWaalsContact O-CG1 3.23Å; F159-V162 WeakPolarHBondContact O-CG1 3.44Å; F159-V162 PolarHBondContact O-N 2.95Å | ||
| 160 | V | 97.3 | Very high | 94.4 | Very high | 19 Ų | 19 | 33.8 Ų | 33.8 | 12% | 0.115 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -28.5 | -177 | 70.7 | 0 | 0 | 0 | 0 | 113.7 | L154 A158 P170 L186 F189 A191 | L154-V160 HydrophobicContact CD2-CB 4.01Å; L154-V160 HydrophobicContact CD2-CG2 4.08Å; A158-V160 PolarHBondContact O-N 3.16Å; A158-V160 VanDerWaalsContact O-N 3.11Å; V160-P170 WeakPolarHBondContact O-CD 3.36Å; V160-L186 HydrophobicContact CG2-CB 4.33Å; V160-L186 HydrophobicContact CG2-CD2 3.85Å; V160-L186 WeakPolarHBondContact CG2-O 3.46Å; V160-F189 HydrophobicContact CG2-CB 4.22Å; V160-A191 HydrophobicContact CG2-CB 3.7Å |
| 161 | N | 95.9 | Very high | 94.4 | Very high | 68 Ų | 68 | 33.8 Ų | 33.8 | 36% | 0.364 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 21.1 | -179 | -64.1 | -39.2 | 0 | 0 | 0 | 112.9 | F159 G190 A191 D192 | F159-N161 PolarHBondContact O-N 2.83Å; N161-G190 PolarHBondContact ND2-O 3.28Å; N161-A191 WeakPolarHBondContact OD1-CA 3.37Å; N161-D192 PolarHBondContact OD1-N 2.9Å |
| 162 | V | 94.3 | Very high | 94.3 | Very high | 27 Ų | 27 | 31.9 Ų | 31.9 | 16% | 0.164 | 17% | 0.166 | C | C | . | . | trans | -58.4 | 144.8 | 171.1 | 64.6 | 0 | 0 | 0 | 0 | 109.5 | T136 H139 F159 T169 P170 | T136-V162 HydrophobicContact CG2-CG1 4.35Å; T136-V162 HydrophobicContact CG2-CG2 4.04Å; H139-V162 WeakPolarHBondContact CE1-CG1 3.48Å; H139-V162 PolarHBondContact NE2-O 3.18Å; F159-V162 HydrophobicContact CB-CB 4.22Å; F159-V162 VanDerWaalsContact O-CG1 3.23Å; F159-V162 WeakPolarHBondContact O-CG1 3.44Å; F159-V162 PolarHBondContact O-N 2.95Å; V162-T169 VanDerWaalsContact O-CA 3.25Å; V162-T169 WeakPolarHBondContact O-CA 3.46Å; V162-P170 HydrophobicContact CG1-CG 4.14Å; V162-P170 VanDerWaalsContact O-CD 3.27Å; V162-P170 WeakPolarHBondContact O-CD 3.38Å | ||
| 163 | Q | 91 | Very high | 94.3 | Very high | 82 Ų | 82 | 30.8 Ų | 30.8 | 38% | 0.383 | 16% | 0.16 | S | C | . | . | trans | -112.5 | 137.3 | 178.8 | -76.3 | -176.9 | -46 | 0 | 0 | 110 | F167 F168 T169 G196 | Q163-F167 PolarHBondContact NE2-O 3.25Å; Q163-F167 VanDerWaalsContact NE2-O 3.08Å; Q163-F168 WeakPolarHBondContact CA-O 3.48Å; Q163-T169 HydrophobicContact CG-CG2 3.85Å; Q163-G196 PolarHBondContact NE2-O 3.33Å | ||
| 164 | D | 88.8 | Confident | 94.2 | Very high | 6 Ų | 6 | 30.8 Ų | 30.8 | 3% | 0.032 | 16% | 0.16 | C | C | . | . | trans | -82.7 | -172.5 | 170.4 | 73.7 | 4.5 | 0 | 0 | 0 | 112 | Y24 V166 F167 F168 | Y24-D164 WeakPolarHBondContact CE1-OD2 3.46Å; Y24-D164 PolarHBondContact OH-OD2 3.39Å; D164-V166 PolarHBondContact O-N 2.9Å; D164-V166 WeakPolarHBondContact OD1-CA 3.44Å; D164-V166 WeakPolarHBondContact OD1-CG2 3.13Å; D164-V166 PolarHBondContact OD1-N 3.3Å; D164-F167 WeakPolarHBondContact O-CA 3.37Å; D164-F167 PolarHBondContact O-N 3.01Å; D164-F167 PolarHBondContact OD1-N 3.48Å; D164-F168 PolarHBondContact N-O 3.34Å; D164-F168 PolarHBondContact OD1-N 3.03Å | ||
| 165 | A | 82.8 | Confident | 94.2 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 2% | 0.017 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -7.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | G133 A134 F766 | G133-A165 WeakPolarHBondContact O-CB 3.33Å; G133-A165 PolarHBondContact O-N 3.42Å; A134-A165 HydrophobicContact CB-CB 4.14Å; A165-F766 VanDerWaalsContact C-CE2 3.5Å; A165-F766 HydrophobicContact CB-CD1 3.97Å; A165-F766 HydrophobicContact CB-CD2 3.81Å; A165-F766 HydrophobicContact CB-CE1 3.71Å; A165-F766 HydrophobicContact CB-CE2 3.49Å; A165-F766 VanDerWaalsContact CB-CE2 3.49Å; A165-F766 HydrophobicContact CB-CG 4.02Å; A165-F766 HydrophobicContact CB-CZ 3.45Å; A165-F766 VanDerWaalsContact CB-CZ 3.45Å |
| 166 | V | 79.8 | Confident | 94 | Very high | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.024 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | 13 | 165.5 | -66.2 | 0 | 0 | 0 | 0 | 112.6 | W16 V20 Y24 D164 F168 F766 | W16-V166 HydrophobicContact CH2-CB 4.4Å; W16-V166 HydrophobicContact CH2-CG1 3.92Å; W16-V166 HydrophobicContact CZ2-CB 3.97Å; W16-V166 HydrophobicContact CZ2-CG1 3.9Å; V20-V166 HydrophobicContact CG1-CG2 4.45Å; V20-V166 HydrophobicContact CG2-CG1 4.18Å; Y24-V166 HydrophobicContact CE2-CG2 4.4Å; Y24-V166 WeakPolarHBondContact OH-CG2 3.5Å; D164-V166 PolarHBondContact O-N 2.9Å; D164-V166 WeakPolarHBondContact OD1-CA 3.44Å; D164-V166 WeakPolarHBondContact OD1-CG2 3.13Å; D164-V166 PolarHBondContact OD1-N 3.3Å; V166-F168 HydrophobicContact CB-CD1 4.48Å; V166-F168 HydrophobicContact CG2-CB 3.86Å; V166-F168 HydrophobicContact CG2-CD1 3.87Å; V166-F168 HydrophobicContact CG2-CD2 4.15Å; V166-F168 HydrophobicContact CG2-CG 3.68Å; V166-F168 WeakPolarHBondContact O-CD1 3.39Å; V166-F168 PolarHBondContact O-N 3.14Å; V166-F766 HydrophobicContact CB-CE2 4.39Å; V166-F766 HydrophobicContact CG1-CE2 3.36Å; V166-F766 HydrophobicContact CG1-CZ 3.67Å |
| 167 | F | 88.1 | Confident | 93.9 | Very high | 52 Ų | 52 | 25.9 Ų | 25.9 | 23% | 0.228 | 13% | 0.134 | C | C | . | . | trans | 64.1 | 17.7 | -175.9 | -65.7 | -98.1 | 0 | 0 | 0 | 114.5 | Q163 D164 E198 L762 R765 | Q163-F167 PolarHBondContact NE2-O 3.25Å; Q163-F167 VanDerWaalsContact NE2-O 3.08Å; D164-F167 WeakPolarHBondContact O-CA 3.37Å; D164-F167 PolarHBondContact O-N 3.01Å; D164-F167 PolarHBondContact OD1-N 3.48Å; F167-E198 HydrophobicContact CB-CB 4.49Å; F167-E198 HydrophobicContact CD2-CB 4.2Å; F167-E198 WeakPolarHBondContact CD2-OE2 3.34Å; F167-E198 WeakPolarHBondContact CE2-OE2 3.49Å; F167-L762 HydrophobicContact CE2-CD2 4.48Å; F167-R765 VanDerWaalsContact CZ-CZ 3.41Å | ||
| 168 | F | 93.8 | Very high | 94 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.009 | 12% | 0.123 | C | C | . | . | trans | -81.4 | 131.3 | 177.2 | -82.7 | 20.9 | 0 | 0 | 0 | 109.2 | V20 Y24 H139 Q163 D164 V166 H172 I173 D201 L206 | V20-F168 HydrophobicContact CG1-CD2 4.4Å; V20-F168 HydrophobicContact CG1-CE2 3.78Å; V20-F168 HydrophobicContact CG1-CZ 4.09Å; Y24-F168 AromaticContact CE2-CD2 3.97Å; Y24-F168 HydrophobicContact CE2-CD2 3.97Å; Y24-F168 HydrophobicContact CE2-CE2 4.34Å; Y24-F168 VanDerWaalsContact OH-CB 3.31Å; Y24-F168 WeakPolarHBondContact OH-CB 3.47Å; Y24-F168 WeakPolarHBondContact OH-CD2 3.09Å; H139-F168 PolarHBondContact NE2-O 3.47Å; Q163-F168 WeakPolarHBondContact CA-O 3.48Å; D164-F168 PolarHBondContact N-O 3.34Å; D164-F168 PolarHBondContact OD1-N 3.03Å; V166-F168 HydrophobicContact CB-CD1 4.48Å; V166-F168 HydrophobicContact CG2-CB 3.86Å; V166-F168 HydrophobicContact CG2-CD1 3.87Å; V166-F168 HydrophobicContact CG2-CD2 4.15Å; V166-F168 HydrophobicContact CG2-CG 3.68Å; V166-F168 WeakPolarHBondContact O-CD1 3.39Å; V166-F168 PolarHBondContact O-N 3.14Å; F168-H172 HydrophobicContact CB-CB 3.76Å; F168-H172 HydrophobicContact CD1-CB 4.24Å; F168-H172 HydrophobicContact CD2-CB 3.78Å; F168-H172 HydrophobicContact CE2-CB 4.4Å; F168-H172 HydrophobicContact CG-CB 3.68Å; F168-I173 HydrophobicContact CB-CG1 4.34Å; F168-D201 WeakPolarHBondContact CE1-OD2 3.25Å; F168-D201 WeakPolarHBondContact CZ-OD2 3.32Å; F168-L206 HydrophobicContact CD2-CD1 4.39Å; F168-L206 HydrophobicContact CE1-CD1 4.49Å; F168-L206 HydrophobicContact CE2-CD1 3.67Å; F168-L206 HydrophobicContact CZ-CD1 3.73Å; F168-L206 HydrophobicContact CZ-CD2 4.18Å | ||
| 169 | T | 97.1 | Very high | 94 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | trans | -81.9 | 165.1 | 167.4 | 68.5 | 0 | 0 | 0 | 0 | 110.4 | V162 Q163 L171 H172 I173 A195 | V162-T169 VanDerWaalsContact O-CA 3.25Å; V162-T169 WeakPolarHBondContact O-CA 3.46Å; Q163-T169 HydrophobicContact CG-CG2 3.85Å; T169-L171 PolarHBondContact O-N 3.32Å; T169-L171 VanDerWaalsContact O-N 3.11Å; T169-L171 PolarHBondContact OG1-N 3.26Å; T169-H172 PolarHBondContact N-ND1 2.89Å; T169-H172 VanDerWaalsContact N-ND1 3.2Å; T169-H172 WeakPolarHBondContact O-CA 3.37Å; T169-H172 WeakPolarHBondContact O-CB 3.32Å; T169-H172 PolarHBondContact O-N 3.45Å; T169-H172 PolarHBondContact OG1-N 3.03Å; T169-H172 PolarHBondContact OG1-ND1 3.4Å; T169-I173 PolarHBondContact O-N 3.05Å; T169-I173 VanDerWaalsContact O-N 3.15Å; T169-A195 HydrophobicContact CG2-CB 4.05Å | ||
| 170 | P | 98 | Very high | 94 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -48.6 | -38.1 | 168.9 | -30.6 | 36 | 0 | 0 | 0 | 112.8 | L138 T142 V160 V162 H172 I173 A174 L186 | L138-P170 HydrophobicContact CD2-CB 4.32Å; L138-P170 HydrophobicContact CD2-CG 3.71Å; L138-P170 HydrophobicContact CG-CB 4.22Å; L138-P170 HydrophobicContact CG-CG 3.83Å; T142-P170 HydrophobicContact CG2-CB 4.43Å; T142-P170 WeakPolarHBondContact CG2-O 3.46Å; V160-P170 WeakPolarHBondContact O-CD 3.36Å; V162-P170 HydrophobicContact CG1-CG 4.14Å; V162-P170 VanDerWaalsContact O-CD 3.27Å; V162-P170 WeakPolarHBondContact O-CD 3.38Å; P170-H172 PolarHBondContact O-N 3.24Å; P170-I173 PolarHBondContact O-N 3.24Å; P170-A174 PolarHBondContact O-N 3.17Å; P170-L186 VanDerWaalsContact C-CD1 3.48Å; P170-L186 HydrophobicContact CB-CD1 3.7Å; P170-L186 HydrophobicContact CB-CD2 3.67Å; P170-L186 HydrophobicContact CB-CG 4.37Å |
| 171 | L | 97.9 | Very high | 94 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.4 | -33.1 | 178.3 | -173.4 | 61.7 | 0 | 0 | 0 | 112.9 | T169 S175 A183 L186 L187 A191 V193 P203 L219 | T169-L171 PolarHBondContact O-N 3.32Å; T169-L171 VanDerWaalsContact O-N 3.11Å; T169-L171 PolarHBondContact OG1-N 3.26Å; L171-S175 VanDerWaalsContact O-CB 3.3Å; L171-S175 WeakPolarHBondContact O-CB 3.24Å; L171-S175 PolarHBondContact O-N 3.16Å; L171-S175 PolarHBondContact O-OG 2.78Å; L171-A183 HydrophobicContact CD1-CB 4.12Å; L171-L186 HydrophobicContact CB-CD1 4.37Å; L171-L186 HydrophobicContact CD1-CB 4.45Å; L171-L187 HydrophobicContact CD1-CD2 4.3Å; L171-L187 HydrophobicContact CD1-CG 4.33Å; L171-L187 HydrophobicContact CD2-CD2 3.83Å; L171-A191 HydrophobicContact CB-CB 4.21Å; L171-A191 HydrophobicContact CD2-CB 3.86Å; L171-V193 HydrophobicContact CD2-CG1 4.41Å; L171-P203 HydrophobicContact CB-CG 4.32Å; L171-P203 HydrophobicContact CD2-CB 4.21Å; L171-P203 HydrophobicContact CD2-CG 3.88Å; L171-P203 HydrophobicContact CG-CB 3.94Å; L171-P203 HydrophobicContact CG-CG 3.82Å; L171-L219 HydrophobicContact CD1-CD2 4.37Å; L171-L219 HydrophobicContact CD2-CD2 4.1Å |
| 172 | H | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63 | -47.1 | 171.1 | -71.4 | 84.4 | 0 | 0 | 0 | 111 | F168 T169 P170 S175 Y176 A195 G197 D201 L206 | F168-H172 HydrophobicContact CB-CB 3.76Å; F168-H172 HydrophobicContact CD1-CB 4.24Å; F168-H172 HydrophobicContact CD2-CB 3.78Å; F168-H172 HydrophobicContact CE2-CB 4.4Å; F168-H172 HydrophobicContact CG-CB 3.68Å; T169-H172 PolarHBondContact N-ND1 2.89Å; T169-H172 VanDerWaalsContact N-ND1 3.2Å; T169-H172 WeakPolarHBondContact O-CA 3.37Å; T169-H172 WeakPolarHBondContact O-CB 3.32Å; T169-H172 PolarHBondContact O-N 3.45Å; T169-H172 PolarHBondContact OG1-N 3.03Å; T169-H172 PolarHBondContact OG1-ND1 3.4Å; P170-H172 PolarHBondContact O-N 3.24Å; H172-S175 PolarHBondContact O-N 3.45Å; H172-Y176 WeakPolarHBondContact O-CB 3.33Å; H172-Y176 PolarHBondContact O-N 3.22Å; H172-A195 PolarHBondContact CE1-O 3.47Å; H172-A195 PolarHBondContact NE2-O 3.03Å; H172-A195 VanDerWaalsContact NE2-O 3.16Å; H172-G197 PolarHBondContact NE2-N 3.29Å; H172-D201 PolarHBondContact NE2-O 3.4Å; H172-L206 HydrophobicContact CB-CD1 3.89Å |
| 173 | I | 96.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.4 | -48.1 | 179.5 | -61.3 | -176.1 | 0 | 0 | 0 | 110.5 | Y24 H139 T142 L143 F168 T169 P170 S175 Y176 Y177 | Y24-I173 HydrophobicContact CE1-CD1 3.96Å; Y24-I173 HydrophobicContact CE1-CG1 4.44Å; H139-I173 HydrophobicContact CB-CD1 4.17Å; T142-I173 HydrophobicContact CG2-CB 4.04Å; T142-I173 HydrophobicContact CG2-CG2 4.04Å; L143-I173 HydrophobicContact CB-CG2 4.16Å; L143-I173 HydrophobicContact CD1-CG2 4.04Å; F168-I173 HydrophobicContact CB-CG1 4.34Å; T169-I173 PolarHBondContact O-N 3.05Å; T169-I173 VanDerWaalsContact O-N 3.15Å; P170-I173 PolarHBondContact O-N 3.24Å; I173-S175 VanDerWaalsContact C-N 3.25Å; I173-S175 PolarHBondContact O-N 3.28Å; I173-Y176 PolarHBondContact O-N 2.81Å; I173-Y176 VanDerWaalsContact O-N 3.1Å; I173-Y177 HydrophobicContact CG2-CD2 3.81Å; I173-Y177 HydrophobicContact CG2-CE2 4.16Å; I173-Y177 WeakPolarHBondContact O-CD2 3.32Å; I173-Y177 PolarHBondContact O-N 3.2Å |
| 174 | A | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.8 | -40.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | T142 P170 G178 H179 A183 L186 | T142-A174 HydrophobicContact CG2-CB 3.74Å; P170-A174 PolarHBondContact O-N 3.17Å; A174-G178 WeakPolarHBondContact O-CA 3.34Å; A174-G178 PolarHBondContact O-N 3.11Å; A174-H179 HydrophobicContact CB-CB 4.43Å; A174-H179 PolarHBondContact O-N 2.68Å; A174-A183 HydrophobicContact CB-CB 4.02Å; A174-L186 HydrophobicContact CB-CD1 4.17Å |
| 175 | S | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -72.7 | -29.3 | 177.8 | -57.1 | 0 | 0 | 0 | 0 | 113.5 | L171 H172 I173 P203 F212 | L171-S175 VanDerWaalsContact O-CB 3.3Å; L171-S175 WeakPolarHBondContact O-CB 3.24Å; L171-S175 PolarHBondContact O-N 3.16Å; L171-S175 PolarHBondContact O-OG 2.78Å; H172-S175 PolarHBondContact O-N 3.45Å; I173-S175 VanDerWaalsContact C-N 3.25Å; I173-S175 PolarHBondContact O-N 3.28Å; S175-P203 WeakPolarHBondContact CB-O 3.46Å; S175-P203 WeakPolarHBondContact OG-CB 3.37Å; S175-F212 WeakPolarHBondContact O-CD2 3.36Å |
| 176 | Y | 94.7 | Very high | 95.6 | Very high | 32 Ų | 32 | 27.3 Ų | 27.3 | 13% | 0.125 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -77.7 | -31.9 | 178.1 | -176 | -93.8 | 0 | 0 | 0 | 113.1 | H172 I173 L206 K210 F212 | H172-Y176 WeakPolarHBondContact O-CB 3.33Å; H172-Y176 PolarHBondContact O-N 3.22Å; I173-Y176 PolarHBondContact O-N 2.81Å; I173-Y176 VanDerWaalsContact O-N 3.1Å; Y176-L206 HydrophobicContact CD2-CD2 4.26Å; Y176-K210 VanDerWaalsContact CZ-CE 3.44Å; Y176-K210 PolarHBondContact OH-NZ 3.42Å; Y176-K210 VanDerWaalsContact OH-NZ 3.14Å; Y176-F212 WeakPolarHBondContact O-CE2 3.44Å |
| 177 | Y | 95 | Very high | 96.3 | Very high | 64 Ų | 64 | 29.2 Ų | 29.2 | 25% | 0.251 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -100.2 | -11.9 | 179.8 | -74.9 | -80.5 | 0 | 0 | 0 | 114.3 | Y24 L143 I173 H179 F212 | Y24-Y177 WeakPolarHBondContact CB-OH 3.21Å; Y24-Y177 HydrophobicContact CD2-CE2 4.48Å; L143-Y177 HydrophobicContact CD1-CD2 3.98Å; L143-Y177 HydrophobicContact CD1-CE2 3.27Å; I173-Y177 HydrophobicContact CG2-CD2 3.81Å; I173-Y177 HydrophobicContact CG2-CE2 4.16Å; I173-Y177 WeakPolarHBondContact O-CD2 3.32Å; I173-Y177 PolarHBondContact O-N 3.2Å; Y177-H179 VanDerWaalsContact CB-CD2 3.5Å; Y177-H179 WeakPolarHBondContact CB-CD2 3.34Å; Y177-H179 WeakPolarHBondContact CB-NE2 3.42Å; Y177-F212 VanDerWaalsContact C-CE2 3.5Å |
| 178 | G | 96.3 | Very high | 96.7 | Very high | 20 Ų | 20 | 34.9 Ų | 34.9 | 21% | 0.206 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84 | 25.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114 | A174 E180 F212 | A174-G178 WeakPolarHBondContact O-CA 3.34Å; A174-G178 PolarHBondContact O-N 3.11Å; G178-E180 PolarHBondContact O-N 3.39Å; G178-F212 VanDerWaalsContact CA-CD2 3.41Å; G178-F212 VanDerWaalsContact CA-CE2 3.44Å |
| 179 | H | 97.7 | Very high | 96.8 | Very high | 48 Ų | 48 | 38.4 Ų | 38.4 | 22% | 0.222 | 18% | 0.177 | C | C | . | . | trans | -82.2 | 78.8 | -177 | -62.7 | -47.8 | 0 | 0 | 0 | 111.4 | T142 L143 G145 A174 Y177 Q181 V182 A183 | T142-H179 PolarHBondContact O-CD2 3.05Å; L143-H179 PolarHBondContact O-NE2 3.15Å; G145-H179 PolarHBondContact N-NE2 3.3Å; A174-H179 HydrophobicContact CB-CB 4.43Å; A174-H179 PolarHBondContact O-N 2.68Å; Y177-H179 VanDerWaalsContact CB-CD2 3.5Å; Y177-H179 WeakPolarHBondContact CB-CD2 3.34Å; Y177-H179 WeakPolarHBondContact CB-NE2 3.42Å; H179-Q181 PolarHBondContact O-N 2.7Å; H179-V182 HydrophobicContact CB-CB 4.12Å; H179-V182 HydrophobicContact CB-CG2 4.16Å; H179-V182 PolarHBondContact O-N 2.95Å; H179-A183 PolarHBondContact O-N 3.15Å | ||
| 180 | E | 97.1 | Very high | 96.6 | Very high | 94 Ų | 94 | 40.6 Ų | 40.6 | 44% | 0.439 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -57.3 | -43.2 | -171.8 | -66.7 | -176.7 | -171.9 | 0 | 0 | 114.2 | G178 V182 A183 K184 G214 I215 L218 | G178-E180 PolarHBondContact O-N 3.39Å; E180-V182 PolarHBondContact O-N 3.23Å; E180-A183 PolarHBondContact O-N 3.36Å; E180-K184 WeakPolarHBondContact O-CB 3.43Å; E180-K184 PolarHBondContact O-N 3.45Å; E180-G214 VanDerWaalsContact OE1-CA 3.29Å; E180-G214 WeakPolarHBondContact OE1-CA 3.41Å; E180-I215 HydrophobicContact CB-CD1 4.28Å; E180-I215 HydrophobicContact CG-CD1 3.87Å; E180-I215 HydrophobicContact CG-CG1 4.04Å; E180-L218 WeakPolarHBondContact O-CD1 3.29Å |
| 181 | Q | 97.1 | Very high | 96.6 | Very high | 122 Ų | 122 | 41.1 Ų | 41.1 | 57% | 0.57 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -68.7 | -35.7 | -179.1 | -61.8 | -67.6 | 40 | 0 | 0 | 112.5 | H147 H179 L185 | H147-Q181 PolarHBondContact ND1-O 3.44Å; H179-Q181 PolarHBondContact O-N 2.7Å; Q181-L185 WeakPolarHBondContact O-CB 3.42Å; Q181-L185 PolarHBondContact O-N 2.88Å; Q181-L185 VanDerWaalsContact O-N 3.11Å |
| 182 | V | 98 | Very high | 96.4 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.012 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.3 | -42.6 | 174.5 | -175.3 | 0 | 0 | 0 | 0 | 110 | T142 H147 A150 H179 E180 K184 L185 L186 | T142-V182 HydrophobicContact CG2-CG1 3.72Å; H147-V182 HydrophobicContact CB-CG2 4.43Å; A150-V182 HydrophobicContact CB-CG1 4.3Å; H179-V182 HydrophobicContact CB-CB 4.12Å; H179-V182 HydrophobicContact CB-CG2 4.16Å; H179-V182 PolarHBondContact O-N 2.95Å; E180-V182 PolarHBondContact O-N 3.23Å; V182-K184 PolarHBondContact O-N 2.9Å; V182-L185 WeakPolarHBondContact O-CB 3.37Å; V182-L185 PolarHBondContact O-N 3.33Å; V182-L186 HydrophobicContact CG1-CD1 3.93Å; V182-L186 HydrophobicContact CG1-CG 4.23Å; V182-L186 WeakPolarHBondContact O-CB 3.32Å; V182-L186 VanDerWaalsContact O-CG 3.25Å; V182-L186 WeakPolarHBondContact O-CG 3.47Å; V182-L186 PolarHBondContact O-N 3.35Å |
| 183 | A | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.9 | -47.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L171 A174 H179 E180 L185 L186 L187 I215 L218 | L171-A183 HydrophobicContact CD1-CB 4.12Å; A174-A183 HydrophobicContact CB-CB 4.02Å; H179-A183 PolarHBondContact O-N 3.15Å; E180-A183 PolarHBondContact O-N 3.36Å; A183-L185 VanDerWaalsContact C-N 3.29Å; A183-L185 PolarHBondContact O-N 3.49Å; A183-L186 PolarHBondContact O-N 3.33Å; A183-L187 VanDerWaalsContact O-CG 3.26Å; A183-L187 WeakPolarHBondContact O-CG 3.23Å; A183-L187 PolarHBondContact O-N 3.49Å; A183-I215 HydrophobicContact CB-CD1 3.46Å; A183-I215 VanDerWaalsContact CB-CD1 3.46Å; A183-L218 HydrophobicContact CB-CD1 4.28Å |
| 184 | K | 96.3 | Very high | 96 | Very high | 123 Ų | 123 | 47.3 Ų | 47.3 | 54% | 0.535 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58.3 | -41.5 | 176.4 | -173.9 | 176 | -177.9 | 176.6 | 0 | 112.3 | E180 V182 K188 L218 | E180-K184 WeakPolarHBondContact O-CB 3.43Å; E180-K184 PolarHBondContact O-N 3.45Å; V182-K184 PolarHBondContact O-N 2.9Å; K184-K188 PolarHBondContact O-N 2.81Å; K184-K188 VanDerWaalsContact O-N 3.09Å; K184-L218 HydrophobicContact CB-CD1 4.01Å; K184-L218 HydrophobicContact CB-CD2 4.2Å; K184-L218 HydrophobicContact CD-CD2 4.37Å; K184-L218 HydrophobicContact CG-CD2 4.18Å |
| 185 | L | 97.3 | Very high | 95.8 | Very high | 10 Ų | 10 | 47.8 Ų | 47.8 | 5% | 0.052 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.7 | -48 | 176.6 | 179.1 | 67.8 | 0 | 0 | 0 | 111.9 | A150 D151 L154 Q181 V182 A183 L187 K188 F189 | A150-L185 HydrophobicContact CB-CD2 3.98Å; D151-L185 HydrophobicContact CB-CD1 4.22Å; D151-L185 HydrophobicContact CB-CD2 3.75Å; L154-L185 HydrophobicContact CD1-CD2 3.99Å; L154-L185 HydrophobicContact CD1-CG 3.84Å; Q181-L185 WeakPolarHBondContact O-CB 3.42Å; Q181-L185 PolarHBondContact O-N 2.88Å; Q181-L185 VanDerWaalsContact O-N 3.11Å; V182-L185 WeakPolarHBondContact O-CB 3.37Å; V182-L185 PolarHBondContact O-N 3.33Å; A183-L185 VanDerWaalsContact C-N 3.29Å; A183-L185 PolarHBondContact O-N 3.49Å; L185-L187 VanDerWaalsContact C-N 3.31Å; L185-L187 PolarHBondContact O-N 3Å; L185-K188 WeakPolarHBondContact O-CB 3.42Å; L185-K188 PolarHBondContact O-N 3.22Å; L185-K188 VanDerWaalsContact O-N 3.12Å; L185-F189 HydrophobicContact CD1-CD2 3.96Å; L185-F189 HydrophobicContact CD1-CE2 3.74Å; L185-F189 HydrophobicContact CG-CD2 4.36Å; L185-F189 WeakPolarHBondContact O-CD2 3.39Å; L185-F189 PolarHBondContact O-N 2.96Å; L185-F189 VanDerWaalsContact O-N 3.11Å |
| 186 | L | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.4 | -43.5 | 177.9 | -70.3 | 168.3 | 0 | 0 | 0 | 111.4 | L138 T142 L154 V160 P170 L171 A174 V182 A183 K188 F189 G190 A191 | L138-L186 HydrophobicContact CD1-CD2 4.39Å; L138-L186 HydrophobicContact CD2-CD2 4.38Å; T142-L186 HydrophobicContact CG2-CD1 4.29Å; L154-L186 HydrophobicContact CD1-CD2 4.09Å; L154-L186 HydrophobicContact CD2-CD2 4.39Å; V160-L186 HydrophobicContact CG2-CB 4.33Å; V160-L186 HydrophobicContact CG2-CD2 3.85Å; V160-L186 WeakPolarHBondContact CG2-O 3.46Å; P170-L186 VanDerWaalsContact C-CD1 3.48Å; P170-L186 HydrophobicContact CB-CD1 3.7Å; P170-L186 HydrophobicContact CB-CD2 3.67Å; P170-L186 HydrophobicContact CB-CG 4.37Å; L171-L186 HydrophobicContact CB-CD1 4.37Å; L171-L186 HydrophobicContact CD1-CB 4.45Å; A174-L186 HydrophobicContact CB-CD1 4.17Å; V182-L186 HydrophobicContact CG1-CD1 3.93Å; V182-L186 HydrophobicContact CG1-CG 4.23Å; V182-L186 WeakPolarHBondContact O-CB 3.32Å; V182-L186 VanDerWaalsContact O-CG 3.25Å; V182-L186 WeakPolarHBondContact O-CG 3.47Å; V182-L186 PolarHBondContact O-N 3.35Å; A183-L186 PolarHBondContact O-N 3.33Å; L186-K188 VanDerWaalsContact C-N 3.35Å; L186-K188 PolarHBondContact O-N 3.34Å; L186-F189 CarbonylContact O-C 3.48Å; L186-F189 PolarHBondContact O-N 2.76Å; L186-F189 VanDerWaalsContact O-N 3.13Å; L186-G190 PolarHBondContact O-N 2.92Å; L186-A191 HydrophobicContact CB-CB 3.98Å; L186-A191 WeakPolarHBondContact O-CB 3.2Å; L186-A191 PolarHBondContact O-N 3.01Å |
| 187 | L | 95.5 | Very high | 94.9 | Very high | 44 Ų | 44 | 48.1 Ų | 48.1 | 23% | 0.23 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 175.5 | -66.5 | 171.5 | 0 | 0 | 0 | 112.2 | L171 A183 L185 F189 G190 A191 V193 L218 L219 | L171-L187 HydrophobicContact CD1-CD2 4.3Å; L171-L187 HydrophobicContact CD1-CG 4.33Å; L171-L187 HydrophobicContact CD2-CD2 3.83Å; A183-L187 VanDerWaalsContact O-CG 3.26Å; A183-L187 WeakPolarHBondContact O-CG 3.23Å; A183-L187 PolarHBondContact O-N 3.49Å; L185-L187 VanDerWaalsContact C-N 3.31Å; L185-L187 PolarHBondContact O-N 3Å; L187-F189 PolarHBondContact O-N 3.49Å; L187-G190 PolarHBondContact O-N 3.25Å; L187-A191 HydrophobicContact CD2-CB 4.47Å; L187-V193 HydrophobicContact CD2-CG1 3.36Å; L187-L218 HydrophobicContact CD1-CB 3.95Å; L187-L219 HydrophobicContact CD1-CD2 4.4Å; L187-L219 HydrophobicContact CD2-CD2 4.2Å |
| 188 | K | 95 | Very high | 94.3 | Very high | 170 Ų | 170 | 46 Ų | 46 | 74% | 0.739 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -59.5 | -33.9 | 174.9 | -177.4 | -172.4 | 173.9 | -168 | 0 | 112.3 | K184 L185 L186 G190 | K184-K188 PolarHBondContact O-N 2.81Å; K184-K188 VanDerWaalsContact O-N 3.09Å; L185-K188 WeakPolarHBondContact O-CB 3.42Å; L185-K188 PolarHBondContact O-N 3.22Å; L185-K188 VanDerWaalsContact O-N 3.12Å; L186-K188 VanDerWaalsContact C-N 3.35Å; L186-K188 PolarHBondContact O-N 3.34Å; K188-G190 VanDerWaalsContact C-N 3.29Å |
| 189 | F | 96.3 | Very high | 93.5 | Very high | 76 Ų | 76 | 45.2 Ų | 45.2 | 33% | 0.333 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 10.6 | 176.2 | -83 | -90.7 | 0 | 0 | 0 | 114 | L154 Q155 V160 L185 L186 L187 | L154-F189 HydrophobicContact CB-CD1 3.86Å; L154-F189 HydrophobicContact CB-CD2 4.01Å; L154-F189 HydrophobicContact CB-CE1 3.84Å; L154-F189 HydrophobicContact CB-CE2 3.98Å; L154-F189 HydrophobicContact CB-CG 3.94Å; L154-F189 HydrophobicContact CB-CZ 3.9Å; L154-F189 HydrophobicContact CD1-CB 4.27Å; L154-F189 HydrophobicContact CD1-CD2 3.72Å; L154-F189 HydrophobicContact CD1-CE2 4.23Å; L154-F189 HydrophobicContact CD1-CG 4.02Å; L154-F189 HydrophobicContact CD2-CB 4.2Å; L154-F189 HydrophobicContact CD2-CG 4.33Å; L154-F189 HydrophobicContact CG-CD2 4.39Å; L154-F189 HydrophobicContact CG-CG 4.33Å; Q155-F189 HydrophobicContact CG-CZ 3.88Å; V160-F189 HydrophobicContact CG2-CB 4.22Å; L185-F189 HydrophobicContact CD1-CD2 3.96Å; L185-F189 HydrophobicContact CD1-CE2 3.74Å; L185-F189 HydrophobicContact CG-CD2 4.36Å; L185-F189 WeakPolarHBondContact O-CD2 3.39Å; L185-F189 PolarHBondContact O-N 2.96Å; L185-F189 VanDerWaalsContact O-N 3.11Å; L186-F189 CarbonylContact O-C 3.48Å; L186-F189 PolarHBondContact O-N 2.76Å; L186-F189 VanDerWaalsContact O-N 3.13Å; L187-F189 PolarHBondContact O-N 3.49Å |
| 190 | G | 93.9 | Very high | 92.9 | Very high | 48 Ų | 48 | 43.6 Ų | 43.6 | 50% | 0.495 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 30.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | N161 L186 L187 K188 D192 | N161-G190 PolarHBondContact ND2-O 3.28Å; L186-G190 PolarHBondContact O-N 2.92Å; L187-G190 PolarHBondContact O-N 3.25Å; K188-G190 VanDerWaalsContact C-N 3.29Å; G190-D192 PolarHBondContact O-N 3.25Å |
| 191 | A | 96.1 | Very high | 92.5 | Very high | 10 Ų | 10 | 39.1 Ų | 39.1 | 8% | 0.083 | 21% | 0.214 | C | C | . | . | trans | -55.5 | 134.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | V160 N161 L171 L186 L187 V193 | V160-A191 HydrophobicContact CG2-CB 3.7Å; N161-A191 WeakPolarHBondContact OD1-CA 3.37Å; L171-A191 HydrophobicContact CB-CB 4.21Å; L171-A191 HydrophobicContact CD2-CB 3.86Å; L186-A191 HydrophobicContact CB-CB 3.98Å; L186-A191 WeakPolarHBondContact O-CB 3.2Å; L186-A191 PolarHBondContact O-N 3.01Å; L187-A191 HydrophobicContact CD2-CB 4.47Å; A191-V193 PolarHBondContact O-N 2.99Å | ||
| 192 | D | 94.1 | Very high | 92.3 | Very high | 75 Ų | 75 | 36.2 Ų | 36.2 | 40% | 0.401 | 20% | 0.198 | S | C | . | . | trans | -75.8 | 108 | 175.1 | -177.9 | 5.6 | 0 | 0 | 0 | 109.6 | N161 G190 D194 A195 | N161-D192 PolarHBondContact OD1-N 2.9Å; G190-D192 PolarHBondContact O-N 3.25Å; D192-D194 PolarHBondContact O-N 2.83Å; D192-D194 WeakPolarHBondContact OD1-CA 3.43Å; D192-D194 PolarHBondContact OD1-N 3.13Å; D192-A195 HydrophobicContact CB-CB 4.12Å; D192-A195 WeakPolarHBondContact O-CB 3.39Å; D192-A195 PolarHBondContact O-N 2.98Å; D192-A195 PolarHBondContact OD1-N 3.38Å | ||
| 193 | V | 93.8 | Very high | 92.2 | Very high | 18 Ų | 18 | 36.1 Ų | 36.1 | 11% | 0.109 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -20.4 | 177.4 | -65.7 | 0 | 0 | 0 | 0 | 113.2 | L171 L187 A191 L219 A226 | L171-V193 HydrophobicContact CD2-CG1 4.41Å; L187-V193 HydrophobicContact CD2-CG1 3.36Å; A191-V193 PolarHBondContact O-N 2.99Å; V193-L219 HydrophobicContact CB-CD2 4.41Å; V193-L219 HydrophobicContact CG1-CD2 4.02Å; V193-A226 HydrophobicContact CB-CB 4.09Å; V193-A226 HydrophobicContact CG2-CB 3.97Å |
| 194 | D | 92.4 | Very high | 92.1 | Very high | 37 Ų | 37 | 36.3 Ų | 36.3 | 20% | 0.198 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | 13.6 | -173.2 | -93.8 | -40 | 0 | 0 | 0 | 112.5 | D192 G196 R202 N227 | D192-D194 PolarHBondContact O-N 2.83Å; D192-D194 WeakPolarHBondContact OD1-CA 3.43Å; D192-D194 PolarHBondContact OD1-N 3.13Å; D194-G196 PolarHBondContact O-N 3.31Å; D194-R202 VanDerWaalsContact O-CZ 3.27Å; D194-R202 PolarHBondContact O-NH1 3.35Å; D194-R202 IonicContact OD1-CZ 3.79Å; D194-R202 IonicContact OD1-NH1 3.65Å; D194-R202 PolarHBondContact OD1-NH1 2.89Å; D194-N227 PolarHBondContact OD1-N 3.21Å; D194-N227 PolarHBondContact OD2-N 3.44Å; D194-N227 VanDerWaalsContact OD2-N 3.08Å |
| 195 | A | 92.7 | Very high | 92 | Very high | 10 Ų | 10 | 30.5 Ų | 30.5 | 8% | 0.083 | 17% | 0.173 | C | C | . | . | trans | -57.3 | 130.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | T169 H172 D192 | T169-A195 HydrophobicContact CG2-CB 4.05Å; H172-A195 PolarHBondContact CE1-O 3.47Å; H172-A195 PolarHBondContact NE2-O 3.03Å; H172-A195 VanDerWaalsContact NE2-O 3.16Å; D192-A195 HydrophobicContact CB-CB 4.12Å; D192-A195 WeakPolarHBondContact O-CB 3.39Å; D192-A195 PolarHBondContact O-N 2.98Å; D192-A195 PolarHBondContact OD1-N 3.38Å | ||
| 196 | G | 89.8 | Confident | 91.9 | Very high | 31 Ų | 31 | 30.1 Ų | 30.1 | 32% | 0.32 | 17% | 0.172 | S | C | . | . | trans | -91.7 | 127.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q163 D194 | Q163-G196 PolarHBondContact NE2-O 3.33Å; D194-G196 PolarHBondContact O-N 3.31Å | ||
| 197 | G | 84.2 | Confident | 91.8 | Very high | 9 Ų | 9 | 30.1 Ų | 30.1 | 9% | 0.093 | 17% | 0.172 | C | C | . | . | trans | -71.1 | -178 | 160.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | H172 V199 G200 D201 | H172-G197 PolarHBondContact NE2-N 3.29Å; G197-V199 VanDerWaalsContact C-N 3.3Å; G197-V199 PolarHBondContact O-N 3.37Å; G197-G200 PolarHBondContact O-N 2.92Å; G197-D201 PolarHBondContact N-O 2.79Å | ||
| 198 | E | 80.7 | Confident | 91.8 | Very high | 19 Ų | 19 | 28 Ų | 28 | 9% | 0.089 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -43.3 | -174.6 | 177.9 | 81.5 | -166.1 | 0 | 0 | 113.5 | W16 F167 G200 N233 H758 L762 | W16-E198 HydrophobicContact CH2-CG 4.47Å; W16-E198 HydrophobicContact CZ2-CB 3.81Å; W16-E198 HydrophobicContact CZ2-CG 4.03Å; F167-E198 HydrophobicContact CB-CB 4.49Å; F167-E198 HydrophobicContact CD2-CB 4.2Å; F167-E198 WeakPolarHBondContact CD2-OE2 3.34Å; F167-E198 WeakPolarHBondContact CE2-OE2 3.49Å; E198-G200 PolarHBondContact O-N 3.26Å; E198-N233 PolarHBondContact O-ND2 3.28Å; E198-H758 HydrophobicContact CG-CB 4.45Å; E198-H758 IonicContact OE1-CD2 3.79Å; E198-H758 PolarHBondContact OE1-CD2 2.9Å; E198-H758 IonicContact OE1-CG 2.73Å; E198-H758 IonicContact OE1-NE2 2.71Å; E198-L762 HydrophobicContact CB-CD1 4.37Å; E198-L762 VanDerWaalsContact CD-CD2 3.43Å; E198-L762 HydrophobicContact CG-CD1 3.24Å; E198-L762 HydrophobicContact CG-CD2 4.31Å; E198-L762 HydrophobicContact CG-CG 4.35Å; E198-L762 WeakPolarHBondContact OE1-CD1 3.25Å; E198-L762 WeakPolarHBondContact OE1-CD2 3.49Å; E198-L762 WeakPolarHBondContact OE2-CD2 3.43Å |
| 199 | V | 79.6 | Confident | 91.7 | Very high | 3 Ų | 3 | 20.7 Ų | 20.7 | 2% | 0.018 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 18.1 | -177.7 | -63.7 | 0 | 0 | 0 | 0 | 112.1 | T13 W16 G197 D201 N233 V759 | T13-V199 HydrophobicContact CG2-CG2 4.46Å; W16-V199 HydrophobicContact CB-CG1 4.31Å; W16-V199 VanDerWaalsContact CD1-CG1 3.42Å; W16-V199 HydrophobicContact CD2-CG1 4.17Å; W16-V199 HydrophobicContact CG-CG1 3.7Å; W16-V199 HydrophobicContact CG-CG2 4.49Å; G197-V199 VanDerWaalsContact C-N 3.3Å; G197-V199 PolarHBondContact O-N 3.37Å; V199-D201 HydrophobicContact CG2-CB 3.97Å; V199-D201 VanDerWaalsContact CG2-CG 3.48Å; V199-D201 VanDerWaalsContact CG2-OD1 3.23Å; V199-D201 WeakPolarHBondContact CG2-OD1 3.34Å; V199-D201 PolarHBondContact O-N 2.95Å; V199-N233 VanDerWaalsContact C-ND2 3.25Å; V199-N233 VanDerWaalsContact CA-ND2 3.34Å; V199-N233 WeakPolarHBondContact CA-ND2 3.46Å; V199-N233 VanDerWaalsContact O-CB 3.27Å; V199-N233 WeakPolarHBondContact O-CB 3.31Å; V199-N233 PolarHBondContact O-N 2.88Å; V199-V759 HydrophobicContact CG1-CG2 4.03Å |
| 200 | G | 85.5 | Confident | 91.6 | Very high | 14 Ų | 14 | 21.3 Ų | 21.3 | 14% | 0.144 | 13% | 0.134 | C | C | . | . | S | Bend | trans | 68.6 | 10.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | G197 E198 | G197-G200 PolarHBondContact O-N 2.92Å; E198-G200 PolarHBondContact O-N 3.26Å |
| 201 | D | 88.7 | Confident | 91.6 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -68.1 | 147.2 | 171.8 | 55.3 | -27.1 | 0 | 0 | 0 | 110.1 | F168 H172 G197 V199 H205 L206 | F168-D201 WeakPolarHBondContact CE1-OD2 3.25Å; F168-D201 WeakPolarHBondContact CZ-OD2 3.32Å; H172-D201 PolarHBondContact NE2-O 3.4Å; G197-D201 PolarHBondContact N-O 2.79Å; V199-D201 HydrophobicContact CG2-CB 3.97Å; V199-D201 VanDerWaalsContact CG2-CG 3.48Å; V199-D201 VanDerWaalsContact CG2-OD1 3.23Å; V199-D201 WeakPolarHBondContact CG2-OD1 3.34Å; V199-D201 PolarHBondContact O-N 2.95Å; D201-H205 HydrophobicContact CB-CB 4.38Å; D201-L206 HydrophobicContact CB-CD2 4.48Å | ||
| 202 | R | 94.3 | Very high | 91.6 | Very high | 61 Ų | 61 | 22.7 Ų | 22.7 | 23% | 0.23 | 13% | 0.132 | C | C | . | . | trans | -124.1 | 162.6 | -175.4 | -62.8 | 176.6 | -177.5 | -109.9 | -17 | 108.1 | D194 L204 H205 L206 A230 | D194-R202 VanDerWaalsContact O-CZ 3.27Å; D194-R202 PolarHBondContact O-NH1 3.35Å; D194-R202 IonicContact OD1-CZ 3.79Å; D194-R202 IonicContact OD1-NH1 3.65Å; D194-R202 PolarHBondContact OD1-NH1 2.89Å; R202-L204 PolarHBondContact O-N 2.71Å; R202-L204 VanDerWaalsContact O-N 3.08Å; R202-H205 WeakPolarHBondContact CB-ND1 3.25Å; R202-H205 PolarHBondContact N-ND1 2.66Å; R202-H205 WeakPolarHBondContact O-CA 3.28Å; R202-H205 WeakPolarHBondContact O-CB 3.49Å; R202-H205 PolarHBondContact O-N 3.29Å; R202-L206 PolarHBondContact O-N 3.33Å; R202-A230 VanDerWaalsContact CD-CB 3.43Å; R202-A230 VanDerWaalsContact NE-CB 3.33Å | ||
| 203 | P | 95.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -47.6 | -42 | 175.3 | -30.8 | 38.1 | 0 | 0 | 0 | 113.1 | L171 S175 H205 L206 A207 L219 | L171-P203 HydrophobicContact CB-CG 4.32Å; L171-P203 HydrophobicContact CD2-CB 4.21Å; L171-P203 HydrophobicContact CD2-CG 3.88Å; L171-P203 HydrophobicContact CG-CB 3.94Å; L171-P203 HydrophobicContact CG-CG 3.82Å; S175-P203 WeakPolarHBondContact CB-O 3.46Å; S175-P203 WeakPolarHBondContact OG-CB 3.37Å; P203-H205 PolarHBondContact O-N 2.96Å; P203-L206 PolarHBondContact O-N 3.02Å; P203-A207 PolarHBondContact O-N 3.31Å; P203-L219 HydrophobicContact CB-CD1 3.84Å; P203-L219 HydrophobicContact CB-CD2 4.32Å |
| 204 | L | 95.4 | Very high | 91.7 | Very high | 5 Ų | 5 | 21.5 Ų | 21.5 | 3% | 0.026 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.5 | -38.3 | 177.8 | -174.2 | 58 | 0 | 0 | 0 | 113.4 | R202 L206 A208 I216 L219 V220 V228 P238 | R202-L204 PolarHBondContact O-N 2.71Å; R202-L204 VanDerWaalsContact O-N 3.08Å; L204-L206 VanDerWaalsContact C-N 3.32Å; L204-L206 PolarHBondContact O-N 3.07Å; L204-A208 WeakPolarHBondContact O-CB 3.48Å; L204-A208 PolarHBondContact O-N 3.44Å; L204-I216 HydrophobicContact CD1-CB 4.43Å; L204-I216 HydrophobicContact CD1-CG1 4.02Å; L204-I216 HydrophobicContact CD1-CG2 4.09Å; L204-L219 HydrophobicContact CB-CD1 4.16Å; L204-L219 HydrophobicContact CD1-CB 4.43Å; L204-L219 HydrophobicContact CD1-CD1 4.4Å; L204-V220 HydrophobicContact CD1-CG2 3.71Å; L204-V220 HydrophobicContact CD2-CG2 3.92Å; L204-V220 HydrophobicContact CG-CG2 4.49Å; L204-V228 HydrophobicContact CD2-CB 4.42Å; L204-V228 HydrophobicContact CD2-CG1 4.15Å; L204-P238 HydrophobicContact CB-CG 4.34Å; L204-P238 HydrophobicContact CD2-CB 4.26Å; L204-P238 HydrophobicContact CD2-CG 3.77Å; L204-P238 HydrophobicContact CG-CB 3.94Å; L204-P238 HydrophobicContact CG-CG 3.73Å |
| 205 | H | 94.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.3 | -39.3 | 174.6 | -68.1 | 112.9 | 0 | 0 | 0 | 112.1 | D201 R202 P203 A209 A230 H236 P238 F241 | D201-H205 HydrophobicContact CB-CB 4.38Å; R202-H205 WeakPolarHBondContact CB-ND1 3.25Å; R202-H205 PolarHBondContact N-ND1 2.66Å; R202-H205 WeakPolarHBondContact O-CA 3.28Å; R202-H205 WeakPolarHBondContact O-CB 3.49Å; R202-H205 PolarHBondContact O-N 3.29Å; P203-H205 PolarHBondContact O-N 2.96Å; H205-A209 WeakPolarHBondContact O-CB 3.43Å; H205-A209 PolarHBondContact O-N 3.34Å; H205-A230 PolarHBondContact CE1-O 2.77Å; H205-A230 PolarHBondContact NE2-O 3.15Å; H205-A230 VanDerWaalsContact NE2-O 3.08Å; H205-H236 PolarHBondContact NE2-O 3.37Å; H205-H236 VanDerWaalsContact NE2-O 3.14Å; H205-P238 WeakPolarHBondContact NE2-CD 3.26Å; H205-F241 HydrophobicContact CB-CD2 4.3Å; H205-F241 HydrophobicContact CB-CE2 4.23Å; H205-F241 AromaticContact CD2-CD2 3.86Å; H205-F241 AromaticContact CD2-CE2 3.63Å |
| 206 | L | 94 | Very high | 91.9 | Very high | 3 Ų | 3 | 19.3 Ų | 19.3 | 2% | 0.016 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -71.7 | -46.6 | -178.6 | -60.6 | 179.1 | 0 | 0 | 0 | 111.2 | F168 H172 Y176 D201 R202 P203 L204 A208 A209 K210 | F168-L206 HydrophobicContact CD2-CD1 4.39Å; F168-L206 HydrophobicContact CE1-CD1 4.49Å; F168-L206 HydrophobicContact CE2-CD1 3.67Å; F168-L206 HydrophobicContact CZ-CD1 3.73Å; F168-L206 HydrophobicContact CZ-CD2 4.18Å; H172-L206 HydrophobicContact CB-CD1 3.89Å; Y176-L206 HydrophobicContact CD2-CD2 4.26Å; D201-L206 HydrophobicContact CB-CD2 4.48Å; R202-L206 PolarHBondContact O-N 3.33Å; P203-L206 PolarHBondContact O-N 3.02Å; L204-L206 VanDerWaalsContact C-N 3.32Å; L204-L206 PolarHBondContact O-N 3.07Å; L206-A208 VanDerWaalsContact C-N 3.33Å; L206-A208 PolarHBondContact O-N 3.35Å; L206-A209 PolarHBondContact O-N 3.11Å; L206-K210 WeakPolarHBondContact O-CG 3.42Å; L206-K210 PolarHBondContact O-N 2.64Å |
| 207 | A | 95.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61 | -42.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | P203 A209 K210 G211 F212 I215 I216 | P203-A207 PolarHBondContact O-N 3.31Å; A207-A209 PolarHBondContact O-N 2.88Å; A207-K210 PolarHBondContact O-N 2.77Å; A207-G211 PolarHBondContact O-N 2.86Å; A207-F212 PolarHBondContact O-N 3.31Å; A207-F212 VanDerWaalsContact O-N 3.13Å; A207-I215 HydrophobicContact CB-CB 4.02Å; A207-I215 HydrophobicContact CB-CG2 3.64Å; A207-I216 HydrophobicContact CB-CD1 4.35Å; A207-I216 HydrophobicContact CB-CG1 3.72Å |
| 208 | A | 94.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.7 | -39.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L204 L206 I216 P238 F241 C242 H247 | L204-A208 WeakPolarHBondContact O-CB 3.48Å; L204-A208 PolarHBondContact O-N 3.44Å; L206-A208 VanDerWaalsContact C-N 3.33Å; L206-A208 PolarHBondContact O-N 3.35Å; A208-I216 HydrophobicContact CB-CD1 4.44Å; A208-P238 HydrophobicContact CB-CB 4.04Å; A208-F241 HydrophobicContact CB-CB 4.25Å; A208-C242 WeakPolarHBondContact CB-SG 3.44Å; A208-H247 PolarHBondContact O-CD2 2.87Å |
| 209 | A | 93.4 | Very high | 93 | Very high | 16 Ų | 16 | 22.1 Ų | 22.1 | 13% | 0.132 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -70.8 | -35.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | H205 L206 A207 F241 F245 H247 | H205-A209 WeakPolarHBondContact O-CB 3.43Å; H205-A209 PolarHBondContact O-N 3.34Å; L206-A209 PolarHBondContact O-N 3.11Å; A207-A209 PolarHBondContact O-N 2.88Å; A209-F241 HydrophobicContact CB-CB 4.02Å; A209-F241 HydrophobicContact CB-CD1 4.19Å; A209-F241 HydrophobicContact CB-CG 4.22Å; A209-F245 HydrophobicContact CB-CD2 4.15Å; A209-F245 HydrophobicContact CB-CE2 3.88Å; A209-F245 WeakPolarHBondContact O-CD2 3.38Å; A209-H247 PolarHBondContact O-NE2 2.94Å |
| 210 | K | 93.6 | Very high | 93.5 | Very high | 88 Ų | 88 | 23.4 Ų | 23.4 | 38% | 0.383 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -88.4 | -18.8 | -176.5 | -66.4 | -68.3 | -173 | 176.4 | 0 | 114.4 | Y176 L206 A207 F212 | Y176-K210 VanDerWaalsContact CZ-CE 3.44Å; Y176-K210 PolarHBondContact OH-NZ 3.42Å; Y176-K210 VanDerWaalsContact OH-NZ 3.14Å; L206-K210 WeakPolarHBondContact O-CG 3.42Å; L206-K210 PolarHBondContact O-N 2.64Å; A207-K210 PolarHBondContact O-N 2.77Å; K210-F212 HydrophobicContact CB-CD2 3.55Å; K210-F212 HydrophobicContact CB-CE1 4.5Å; K210-F212 HydrophobicContact CB-CE2 3.33Å; K210-F212 HydrophobicContact CB-CG 4.24Å; K210-F212 HydrophobicContact CB-CZ 3.87Å; K210-F212 HydrophobicContact CG-CD2 4.41Å; K210-F212 HydrophobicContact CG-CE2 3.91Å |
| 211 | G | 95.3 | Very high | 93.2 | Very high | 26 Ų | 26 | 24.1 Ų | 24.1 | 27% | 0.268 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.2 | 23.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | A207 L213 H247 I250 | A207-G211 PolarHBondContact O-N 2.86Å; G211-L213 PolarHBondContact O-N 3.25Å; G211-H247 PolarHBondContact N-NE2 3.2Å; G211-I250 VanDerWaalsContact C-CD1 3.46Å; G211-I250 VanDerWaalsContact CA-CD1 3.48Å |
| 212 | F | 96.8 | Very high | 91.9 | Very high | 61 Ų | 61 | 32.7 Ų | 32.7 | 27% | 0.268 | 18% | 0.183 | S | C | . | . | trans | -89.5 | 84.4 | -176 | -59.4 | -43.9 | 0 | 0 | 0 | 112.1 | S175 Y176 Y177 G178 A207 K210 G214 I215 I216 | S175-F212 WeakPolarHBondContact O-CD2 3.36Å; Y176-F212 WeakPolarHBondContact O-CE2 3.44Å; Y177-F212 VanDerWaalsContact C-CE2 3.5Å; G178-F212 VanDerWaalsContact CA-CD2 3.41Å; G178-F212 VanDerWaalsContact CA-CE2 3.44Å; A207-F212 PolarHBondContact O-N 3.31Å; A207-F212 VanDerWaalsContact O-N 3.13Å; K210-F212 HydrophobicContact CB-CD2 3.55Å; K210-F212 HydrophobicContact CB-CE1 4.5Å; K210-F212 HydrophobicContact CB-CE2 3.33Å; K210-F212 HydrophobicContact CB-CG 4.24Å; K210-F212 HydrophobicContact CB-CZ 3.87Å; K210-F212 HydrophobicContact CG-CD2 4.41Å; K210-F212 HydrophobicContact CG-CE2 3.91Å; F212-G214 VanDerWaalsContact C-N 3.32Å; F212-G214 PolarHBondContact O-N 3.16Å; F212-I215 HydrophobicContact CB-CB 4.15Å; F212-I215 HydrophobicContact CB-CG1 3.94Å; F212-I215 PolarHBondContact O-N 3.28Å; F212-I216 WeakPolarHBondContact O-CG1 3.27Å; F212-I216 PolarHBondContact O-N 3.44Å; F212-I216 VanDerWaalsContact O-N 3.13Å | ||
| 213 | L | 94.5 | Very high | 90.4 | Very high | 51 Ų | 51 | 33.7 Ų | 33.7 | 27% | 0.267 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.5 | -38.7 | -178.3 | -179.2 | 61.6 | 0 | 0 | 0 | 113.1 | G211 I215 I216 N217 I250 F253 | G211-L213 PolarHBondContact O-N 3.25Å; L213-I215 PolarHBondContact O-N 2.93Å; L213-I216 PolarHBondContact O-N 3.45Å; L213-I216 VanDerWaalsContact O-N 3.13Å; L213-N217 PolarHBondContact O-N 3.25Å; L213-N217 PolarHBondContact O-ND2 3.36Å; L213-I250 HydrophobicContact CB-CG1 4.14Å; L213-I250 HydrophobicContact CD1-CG1 3.94Å; L213-F253 HydrophobicContact CD1-CB 3.94Å; L213-F253 HydrophobicContact CD1-CD1 4.31Å; L213-F253 HydrophobicContact CD1-CD2 4.48Å; L213-F253 HydrophobicContact CD1-CG 3.97Å |
| 214 | G | 94.9 | Very high | 89.1 | Confident | 18 Ų | 18 | 35.7 Ų | 35.7 | 19% | 0.186 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.6 | -38 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | E180 F212 N217 L218 | E180-G214 VanDerWaalsContact OE1-CA 3.29Å; E180-G214 WeakPolarHBondContact OE1-CA 3.41Å; F212-G214 VanDerWaalsContact C-N 3.32Å; F212-G214 PolarHBondContact O-N 3.16Å; G214-N217 PolarHBondContact O-N 3.39Å; G214-L218 WeakPolarHBondContact O-CG 3.41Å; G214-L218 PolarHBondContact O-N 2.84Å; G214-L218 VanDerWaalsContact O-N 3.1Å |
| 215 | I | 95.6 | Very high | 88 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.4 | -43 | 170.6 | -60.6 | -70.8 | 0 | 0 | 0 | 110.8 | E180 A183 A207 F212 L213 N217 L218 L219 | E180-I215 HydrophobicContact CB-CD1 4.28Å; E180-I215 HydrophobicContact CG-CD1 3.87Å; E180-I215 HydrophobicContact CG-CG1 4.04Å; A183-I215 HydrophobicContact CB-CD1 3.46Å; A183-I215 VanDerWaalsContact CB-CD1 3.46Å; A207-I215 HydrophobicContact CB-CB 4.02Å; A207-I215 HydrophobicContact CB-CG2 3.64Å; F212-I215 HydrophobicContact CB-CB 4.15Å; F212-I215 HydrophobicContact CB-CG1 3.94Å; F212-I215 PolarHBondContact O-N 3.28Å; L213-I215 PolarHBondContact O-N 2.93Å; I215-N217 VanDerWaalsContact C-N 3.33Å; I215-N217 PolarHBondContact O-N 2.81Å; I215-L218 WeakPolarHBondContact O-CB 3.49Å; I215-L218 PolarHBondContact O-N 3.29Å; I215-L218 VanDerWaalsContact O-N 3.13Å; I215-L219 HydrophobicContact CG2-CD1 3.77Å; I215-L219 HydrophobicContact CG2-CG 4.15Å; I215-L219 WeakPolarHBondContact O-CG 3.29Å; I215-L219 PolarHBondContact O-N 3.4Å |
| 216 | I | 93.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.3 | -41 | 179.2 | -66.4 | 178.1 | 0 | 0 | 0 | 111 | L204 A207 A208 F212 L213 L218 L219 V220 I250 F253 L254 | L204-I216 HydrophobicContact CD1-CB 4.43Å; L204-I216 HydrophobicContact CD1-CG1 4.02Å; L204-I216 HydrophobicContact CD1-CG2 4.09Å; A207-I216 HydrophobicContact CB-CD1 4.35Å; A207-I216 HydrophobicContact CB-CG1 3.72Å; A208-I216 HydrophobicContact CB-CD1 4.44Å; F212-I216 WeakPolarHBondContact O-CG1 3.27Å; F212-I216 PolarHBondContact O-N 3.44Å; F212-I216 VanDerWaalsContact O-N 3.13Å; L213-I216 PolarHBondContact O-N 3.45Å; L213-I216 VanDerWaalsContact O-N 3.13Å; I216-L218 VanDerWaalsContact C-N 3.29Å; I216-L218 PolarHBondContact O-N 3.16Å; I216-L219 PolarHBondContact O-N 3.45Å; I216-L219 VanDerWaalsContact O-N 3.16Å; I216-V220 HydrophobicContact CG2-CG2 4.13Å; I216-V220 WeakPolarHBondContact O-CB 3.42Å; I216-V220 WeakPolarHBondContact O-CG2 3.28Å; I216-V220 PolarHBondContact O-N 2.89Å; I216-I250 HydrophobicContact CD1-CB 4.2Å; I216-I250 HydrophobicContact CD1-CD1 3.52Å; I216-I250 HydrophobicContact CD1-CG1 3.83Å; I216-I250 HydrophobicContact CD1-CG2 3.29Å; I216-F253 HydrophobicContact CG2-CD1 3.76Å; I216-F253 HydrophobicContact CG2-CE1 3.74Å; I216-L254 HydrophobicContact CG2-CD2 4.17Å |
| 217 | N | 92.6 | Very high | 87.4 | Confident | 64 Ų | 64 | 48.8 Ų | 48.8 | 34% | 0.342 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.6 | -39.6 | 173.3 | -72.1 | -22.1 | 0 | 0 | 0 | 111.8 | L213 G214 I215 G221 F253 | L213-N217 PolarHBondContact O-N 3.25Å; L213-N217 PolarHBondContact O-ND2 3.36Å; G214-N217 PolarHBondContact O-N 3.39Å; I215-N217 VanDerWaalsContact C-N 3.33Å; I215-N217 PolarHBondContact O-N 2.81Å; N217-G221 VanDerWaalsContact O-CA 3.24Å; N217-G221 WeakPolarHBondContact O-CA 2.97Å; N217-G221 PolarHBondContact O-N 3.33Å; N217-F253 WeakPolarHBondContact OD1-CD2 3.42Å; N217-F253 WeakPolarHBondContact OD1-CE2 3.3Å; N217-F253 WeakPolarHBondContact OD1-CZ 3.47Å |
| 218 | L | 92.6 | Very high | 87.2 | Confident | 54 Ų | 54 | 49.2 Ų | 49.2 | 28% | 0.283 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68 | -37.6 | 175.3 | -68.4 | 171.3 | 0 | 0 | 0 | 112.5 | E180 A183 K184 L187 G214 I215 I216 | E180-L218 WeakPolarHBondContact O-CD1 3.29Å; A183-L218 HydrophobicContact CB-CD1 4.28Å; K184-L218 HydrophobicContact CB-CD1 4.01Å; K184-L218 HydrophobicContact CB-CD2 4.2Å; K184-L218 HydrophobicContact CD-CD2 4.37Å; K184-L218 HydrophobicContact CG-CD2 4.18Å; L187-L218 HydrophobicContact CD1-CB 3.95Å; G214-L218 WeakPolarHBondContact O-CG 3.41Å; G214-L218 PolarHBondContact O-N 2.84Å; G214-L218 VanDerWaalsContact O-N 3.1Å; I215-L218 WeakPolarHBondContact O-CB 3.49Å; I215-L218 PolarHBondContact O-N 3.29Å; I215-L218 VanDerWaalsContact O-N 3.13Å; I216-L218 VanDerWaalsContact C-N 3.29Å; I216-L218 PolarHBondContact O-N 3.16Å |
| 219 | L | 92.6 | Very high | 87.1 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -81.4 | -27.1 | -177.5 | -67.8 | 177.3 | 0 | 0 | 0 | 113.5 | L171 L187 V193 P203 L204 I215 I216 S224 A226 | L171-L219 HydrophobicContact CD1-CD2 4.37Å; L171-L219 HydrophobicContact CD2-CD2 4.1Å; L187-L219 HydrophobicContact CD1-CD2 4.4Å; L187-L219 HydrophobicContact CD2-CD2 4.2Å; V193-L219 HydrophobicContact CB-CD2 4.41Å; V193-L219 HydrophobicContact CG1-CD2 4.02Å; P203-L219 HydrophobicContact CB-CD1 3.84Å; P203-L219 HydrophobicContact CB-CD2 4.32Å; L204-L219 HydrophobicContact CB-CD1 4.16Å; L204-L219 HydrophobicContact CD1-CB 4.43Å; L204-L219 HydrophobicContact CD1-CD1 4.4Å; I215-L219 HydrophobicContact CG2-CD1 3.77Å; I215-L219 HydrophobicContact CG2-CG 4.15Å; I215-L219 WeakPolarHBondContact O-CG 3.29Å; I215-L219 PolarHBondContact O-N 3.4Å; I216-L219 PolarHBondContact O-N 3.45Å; I216-L219 VanDerWaalsContact O-N 3.16Å; L219-S224 WeakPolarHBondContact O-CB 3.31Å; L219-S224 PolarHBondContact O-OG 3.26Å; L219-A226 WeakPolarHBondContact O-CB 3.44Å |
| 220 | V | 89.3 | Confident | 87 | Confident | 30 Ų | 30 | 49.9 Ų | 49.9 | 18% | 0.182 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -114.5 | -16.8 | -173.8 | -177.8 | 0 | 0 | 0 | 0 | 112.4 | L204 I216 V228 F253 L254 | L204-V220 HydrophobicContact CD1-CG2 3.71Å; L204-V220 HydrophobicContact CD2-CG2 3.92Å; L204-V220 HydrophobicContact CG-CG2 4.49Å; I216-V220 HydrophobicContact CG2-CG2 4.13Å; I216-V220 WeakPolarHBondContact O-CB 3.42Å; I216-V220 WeakPolarHBondContact O-CG2 3.28Å; I216-V220 PolarHBondContact O-N 2.89Å; V220-V228 HydrophobicContact CB-CG1 4.48Å; V220-V228 HydrophobicContact CG1-CG1 3.73Å; V220-V228 HydrophobicContact CG2-CG1 3.92Å; V220-F253 HydrophobicContact CB-CE1 4.1Å; V220-F253 HydrophobicContact CG1-CE1 4.16Å; V220-L254 HydrophobicContact CG2-CD2 4.38Å |
| 221 | G | 78.9 | Confident | 86.9 | Confident | 28 Ų | 28 | 51.1 Ų | 51.1 | 29% | 0.289 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -66.1 | 175.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | N217 G223 S224 | N217-G221 VanDerWaalsContact O-CA 3.24Å; N217-G221 WeakPolarHBondContact O-CA 2.97Å; N217-G221 PolarHBondContact O-N 3.33Å; G221-G223 PolarHBondContact O-N 3.14Å; G221-S224 WeakPolarHBondContact O-CB 3.39Å; G221-S224 PolarHBondContact O-N 2.99Å |
| 222 | D | 61.3 | Low | 86.6 | Confident | 181 Ų | 181 | 50.2 Ų | 50.2 | 97% | 0.968 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.6 | 118.7 | -170.7 | -74.2 | -16.3 | 0 | 0 | 0 | 113.7 | ||
| 223 | G | 63.3 | Low | 86.1 | Confident | 82 Ų | 82 | 51.8 Ų | 51.8 | 85% | 0.845 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.1 | -6.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | G221 | G221-G223 PolarHBondContact O-N 3.14Š|
| 224 | S | 68.1 | Low | 85.6 | Confident | 42 Ų | 42 | 50 Ų | 50 | 29% | 0.294 | 29% | 0.287 | S | S | . | . | trans | -77.9 | 147.3 | 172.6 | -171.9 | 0 | 0 | 0 | 0 | 112.2 | L219 G221 A226 | L219-S224 WeakPolarHBondContact O-CB 3.31Å; L219-S224 PolarHBondContact O-OG 3.26Å; G221-S224 WeakPolarHBondContact O-CB 3.39Å; G221-S224 PolarHBondContact O-N 2.99Å; S224-A226 PolarHBondContact OG-N 2.82Å | ||
| 225 | K | 72.8 | Confident | 85.4 | Confident | 188 Ų | 188 | 52.6 Ų | 52.6 | 82% | 0.817 | 29% | 0.294 | S | S | * | . | trans | -102.3 | 10.2 | 179.6 | -65.9 | -178.1 | -179.9 | 176.8 | 0 | 113.4 | N227 | K225-N227 PolarHBondContact O-N 3.01Š| ||
| 226 | A | 84.9 | Confident | 85.2 | Confident | 15 Ų | 15 | 52.7 Ų | 52.7 | 12% | 0.124 | 30% | 0.295 | C | S | . | . | trans | -61.5 | 126.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | V193 L219 S224 V228 | V193-A226 HydrophobicContact CB-CB 4.09Å; V193-A226 HydrophobicContact CG2-CB 3.97Å; L219-A226 WeakPolarHBondContact O-CB 3.44Å; S224-A226 PolarHBondContact OG-N 2.82Å; A226-V228 PolarHBondContact O-N 3.42Å | ||
| 227 | N | 89.8 | Confident | 85.2 | Confident | 79 Ų | 79 | 52.8 Ų | 52.8 | 42% | 0.422 | 30% | 0.295 | S | S | . | . | trans | -74.6 | 98.9 | 174.2 | -179 | -2.2 | 0 | 0 | 0 | 110.5 | D194 K225 N229 A230 | D194-N227 PolarHBondContact OD1-N 3.21Å; D194-N227 PolarHBondContact OD2-N 3.44Å; D194-N227 VanDerWaalsContact OD2-N 3.08Å; K225-N227 PolarHBondContact O-N 3.01Å; N227-N229 PolarHBondContact O-N 2.92Å; N227-N229 WeakPolarHBondContact OD1-CA 3.28Å; N227-N229 PolarHBondContact OD1-N 3.02Å; N227-A230 HydrophobicContact CB-CB 4.05Å; N227-A230 VanDerWaalsContact O-CB 3.26Å; N227-A230 WeakPolarHBondContact O-CB 3.31Å; N227-A230 PolarHBondContact O-N 3.46Å; N227-A230 PolarHBondContact OD1-N 2.65Å | ||
| 228 | V | 91.4 | Very high | 85.3 | Confident | 9 Ų | 9 | 49.8 Ų | 49.8 | 6% | 0.055 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -15.2 | 178 | -62.3 | 0 | 0 | 0 | 0 | 114.2 | L204 V220 A226 P238 E260 V261 | L204-V228 HydrophobicContact CD2-CB 4.42Å; L204-V228 HydrophobicContact CD2-CG1 4.15Å; V220-V228 HydrophobicContact CB-CG1 4.48Å; V220-V228 HydrophobicContact CG1-CG1 3.73Å; V220-V228 HydrophobicContact CG2-CG1 3.92Å; A226-V228 PolarHBondContact O-N 3.42Å; V228-P238 WeakPolarHBondContact O-CD 3.37Å; V228-E260 HydrophobicContact CG2-CB 4.41Å; V228-V261 HydrophobicContact CB-CG2 3.91Å; V228-V261 HydrophobicContact CG2-CG2 3.61Å |
| 229 | N | 92.6 | Very high | 85.5 | Confident | 26 Ų | 26 | 47.3 Ų | 47.3 | 14% | 0.139 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | 13.1 | 177.2 | -61.5 | -58.7 | 0 | 0 | 0 | 113 | N227 R231 V237 E260 V261 Q262 | N227-N229 PolarHBondContact O-N 2.92Å; N227-N229 WeakPolarHBondContact OD1-CA 3.28Å; N227-N229 PolarHBondContact OD1-N 3.02Å; N229-R231 PolarHBondContact O-N 3.31Å; N229-V237 WeakPolarHBondContact O-CG1 3.41Å; N229-E260 PolarHBondContact ND2-O 3.12Å; N229-V261 WeakPolarHBondContact OD1-CA 3.39Å; N229-Q262 PolarHBondContact OD1-N 2.91Å |
| 230 | A | 92.4 | Very high | 85.6 | Confident | 5 Ų | 5 | 47.2 Ų | 47.2 | 4% | 0.041 | 27% | 0.266 | C | S | . | . | trans | -58 | 140.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | R202 H205 N227 V237 | R202-A230 VanDerWaalsContact CD-CB 3.43Å; R202-A230 VanDerWaalsContact NE-CB 3.33Å; H205-A230 PolarHBondContact CE1-O 2.77Å; H205-A230 PolarHBondContact NE2-O 3.15Å; H205-A230 VanDerWaalsContact NE2-O 3.08Å; N227-A230 HydrophobicContact CB-CB 4.05Å; N227-A230 VanDerWaalsContact O-CB 3.26Å; N227-A230 WeakPolarHBondContact O-CB 3.31Å; N227-A230 PolarHBondContact O-N 3.46Å; N227-A230 PolarHBondContact OD1-N 2.65Å; A230-V237 WeakPolarHBondContact O-CA 3.36Å | ||
| 231 | R | 92.3 | Very high | 85.8 | Confident | 114 Ų | 114 | 46 Ų | 46 | 43% | 0.43 | 26% | 0.258 | S | S | . | . | trans | -104 | 134.1 | -177.8 | -72.4 | -174.8 | -171.8 | -173.2 | 5.7 | 110.3 | N229 E235 H236 V237 | N229-R231 PolarHBondContact O-N 3.31Å; R231-E235 IonicContact CZ-OE2 3.92Å; R231-E235 IonicContact NH1-OE2 2.78Å; R231-E235 PolarHBondContact NH1-OE2 3.3Å; R231-H236 WeakPolarHBondContact CA-O 3.47Å; R231-V237 HydrophobicContact CG-CG1 3.91Å | ||
| 232 | D | 88.6 | Confident | 86.5 | Confident | 6 Ų | 6 | 44.6 Ų | 44.6 | 3% | 0.032 | 24% | 0.244 | C | C | . | . | trans | -75.7 | -178.6 | 166.1 | 80.1 | 2 | 0 | 0 | 0 | 111.5 | E234 E235 H236 F241 | D232-E234 PolarHBondContact O-N 3.45Å; D232-E234 VanDerWaalsContact OD1-C 3.29Å; D232-E234 WeakPolarHBondContact OD1-CA 3.46Å; D232-E234 PolarHBondContact OD1-N 2.69Å; D232-E235 WeakPolarHBondContact O-CA 3.33Å; D232-E235 PolarHBondContact O-N 3.32Å; D232-E235 PolarHBondContact OD1-N 3.06Å; D232-E235 VanDerWaalsContact OD1-N 3.1Å; D232-H236 PolarHBondContact N-O 2.94Å; D232-H236 WeakPolarHBondContact OD1-CB 3.43Å; D232-H236 IonicContact OD1-CG 3.64Å; D232-H236 PolarHBondContact OD1-N 3.24Å; D232-H236 IonicContact OD1-ND1 3.79Å; D232-H236 PolarHBondContact OD1-ND1 2.77Å; D232-H236 IonicContact OD2-CG 2.69Å; D232-H236 IonicContact OD2-ND1 3.42Å; D232-F241 WeakPolarHBondContact OD2-CZ 3.41Å | ||
| 233 | N | 85.6 | Confident | 88.1 | Confident | 94 Ų | 94 | 36 Ų | 36 | 50% | 0.503 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -14.6 | -178.4 | -70.5 | -8 | 0 | 0 | 0 | 114.2 | E198 V199 | E198-N233 PolarHBondContact O-ND2 3.28Å; V199-N233 VanDerWaalsContact C-ND2 3.25Å; V199-N233 VanDerWaalsContact CA-ND2 3.34Å; V199-N233 WeakPolarHBondContact CA-ND2 3.46Å; V199-N233 VanDerWaalsContact O-CB 3.27Å; V199-N233 WeakPolarHBondContact O-CB 3.31Å; V199-N233 PolarHBondContact O-N 2.88Å |
| 234 | E | 84.4 | Confident | 89.5 | Confident | 13 Ų | 13 | 33.6 Ų | 33.6 | 6% | 0.061 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 14.3 | 170.3 | -70.5 | -172.6 | 161.5 | 0 | 0 | 111.4 | T11 C12 T13 D232 H236 N267 I268 | T11-E234 WeakPolarHBondContact CB-OE2 3.49Å; T11-E234 PolarHBondContact OG1-OE2 3.32Å; T11-E234 VanDerWaalsContact OG1-OE2 3.08Å; C12-E234 PolarHBondContact N-OE1 3.03Å; T13-E234 WeakPolarHBondContact CB-OE2 3.37Å; T13-E234 PolarHBondContact N-OE1 3.06Å; T13-E234 WeakPolarHBondContact OG1-CG 3.45Å; T13-E234 PolarHBondContact OG1-OE1 2.93Å; T13-E234 PolarHBondContact OG1-OE2 3.33Å; D232-E234 PolarHBondContact O-N 3.45Å; D232-E234 VanDerWaalsContact OD1-C 3.29Å; D232-E234 WeakPolarHBondContact OD1-CA 3.46Å; D232-E234 PolarHBondContact OD1-N 2.69Å; E234-H236 WeakPolarHBondContact CB-ND1 3.31Å; E234-H236 PolarHBondContact O-N 3.42Å; E234-H236 IonicContact OE2-CE1 3.91Å; E234-H236 PolarHBondContact OE2-CE1 2.9Å; E234-H236 VanDerWaalsContact OE2-CE1 3.25Å; E234-H236 IonicContact OE2-ND1 3.6Å; E234-N267 WeakPolarHBondContact O-CB 3.42Å; E234-I268 HydrophobicContact CB-CD1 4.04Å; E234-I268 HydrophobicContact CB-CG1 4.22Å; E234-I268 HydrophobicContact CG-CD1 3.94Å; E234-I268 WeakPolarHBondContact O-CG2 3.35Å; E234-I268 PolarHBondContact O-N 3.09Å |
| 235 | E | 90.2 | Very high | 90.7 | Very high | 74 Ų | 74 | 35.6 Ų | 35.6 | 35% | 0.346 | 17% | 0.167 | S | C | . | . | trans | 60.6 | 21.3 | -177.2 | -62.3 | -170.6 | -140.3 | 0 | 0 | 115.1 | R231 D232 I268 | R231-E235 IonicContact CZ-OE2 3.92Å; R231-E235 IonicContact NH1-OE2 2.78Å; R231-E235 PolarHBondContact NH1-OE2 3.3Å; D232-E235 WeakPolarHBondContact O-CA 3.33Å; D232-E235 PolarHBondContact O-N 3.32Å; D232-E235 PolarHBondContact OD1-N 3.06Å; D232-E235 VanDerWaalsContact OD1-N 3.1Å; E235-I268 HydrophobicContact CB-CG2 4.01Å; E235-I268 HydrophobicContact CG-CG2 3.76Å | ||
| 236 | H | 91.6 | Very high | 91.7 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.009 | 14% | 0.137 | C | C | . | . | trans | -73.5 | 133.6 | 170 | -60.8 | 97.4 | 0 | 0 | 0 | 110.1 | H205 R231 D232 E234 H240 F241 N267 | H205-H236 PolarHBondContact NE2-O 3.37Å; H205-H236 VanDerWaalsContact NE2-O 3.14Å; R231-H236 WeakPolarHBondContact CA-O 3.47Å; D232-H236 PolarHBondContact N-O 2.94Å; D232-H236 WeakPolarHBondContact OD1-CB 3.43Å; D232-H236 IonicContact OD1-CG 3.64Å; D232-H236 PolarHBondContact OD1-N 3.24Å; D232-H236 IonicContact OD1-ND1 3.79Å; D232-H236 PolarHBondContact OD1-ND1 2.77Å; D232-H236 IonicContact OD2-CG 2.69Å; D232-H236 IonicContact OD2-ND1 3.42Å; E234-H236 WeakPolarHBondContact CB-ND1 3.31Å; E234-H236 PolarHBondContact O-N 3.42Å; E234-H236 IonicContact OE2-CE1 3.91Å; E234-H236 PolarHBondContact OE2-CE1 2.9Å; E234-H236 VanDerWaalsContact OE2-CE1 3.25Å; E234-H236 IonicContact OE2-ND1 3.6Å; H236-H240 HydrophobicContact CB-CB 4.14Å; H236-F241 HydrophobicContact CB-CD2 4.49Å; H236-F241 HydrophobicContact CB-CE2 3.62Å; H236-F241 HydrophobicContact CB-CZ 3.76Å; H236-N267 PolarHBondContact NE2-ND2 3.37Å | ||
| 237 | V | 94.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | trans | -92.4 | 161.4 | 163 | -53.9 | 0 | 0 | 0 | 0 | 110.9 | N229 A230 R231 L239 H240 S265 | N229-V237 WeakPolarHBondContact O-CG1 3.41Å; A230-V237 WeakPolarHBondContact O-CA 3.36Å; R231-V237 HydrophobicContact CG-CG1 3.91Å; V237-L239 HydrophobicContact CG2-CB 4.11Å; V237-L239 PolarHBondContact O-N 3.39Å; V237-L239 VanDerWaalsContact O-N 3.09Å; V237-H240 WeakPolarHBondContact CG2-ND1 3.33Å; V237-H240 PolarHBondContact N-ND1 3.36Å; V237-H240 VanDerWaalsContact N-ND1 3.13Å; V237-H240 VanDerWaalsContact O-CB 3.26Å; V237-H240 WeakPolarHBondContact O-CB 3.12Å; V237-H240 PolarHBondContact O-N 3.26Å; V237-H240 PolarHBondContact O-ND1 2.88Å; V237-S265 WeakPolarHBondContact CG2-OG 3.39Å | ||
| 238 | P | 94.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.006 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -49.5 | -39.5 | 180 | -29.6 | 36.4 | 0 | 0 | 0 | 114.4 | L204 H205 A208 V228 H240 F241 C242 | L204-P238 HydrophobicContact CB-CG 4.34Å; L204-P238 HydrophobicContact CD2-CB 4.26Å; L204-P238 HydrophobicContact CD2-CG 3.77Å; L204-P238 HydrophobicContact CG-CB 3.94Å; L204-P238 HydrophobicContact CG-CG 3.73Å; H205-P238 WeakPolarHBondContact NE2-CD 3.26Å; A208-P238 HydrophobicContact CB-CB 4.04Å; V228-P238 WeakPolarHBondContact O-CD 3.37Å; P238-H240 PolarHBondContact O-N 3.06Å; P238-F241 WeakPolarHBondContact O-CB 3.45Å; P238-F241 PolarHBondContact O-N 3.4Å; P238-C242 PolarHBondContact O-N 2.78Å; P238-C242 PolarHBondContact O-SG 3.43Å |
| 239 | L | 95.6 | Very high | 92.6 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.6 | -32.2 | 177.9 | -174.1 | 63.7 | 0 | 0 | 0 | 113.5 | V237 F241 C242 A243 V251 L255 V261 P263 P273 | V237-L239 HydrophobicContact CG2-CB 4.11Å; V237-L239 PolarHBondContact O-N 3.39Å; V237-L239 VanDerWaalsContact O-N 3.09Å; L239-F241 VanDerWaalsContact C-N 3.27Å; L239-F241 PolarHBondContact O-N 2.88Å; L239-C242 PolarHBondContact O-N 3.13Å; L239-A243 VanDerWaalsContact O-CB 3.24Å; L239-A243 WeakPolarHBondContact O-CB 3.23Å; L239-A243 PolarHBondContact O-N 3.12Å; L239-V251 HydrophobicContact CD1-CB 4.46Å; L239-V251 HydrophobicContact CD1-CG1 4.21Å; L239-V251 HydrophobicContact CD1-CG2 4.15Å; L239-L255 HydrophobicContact CD1-CG 4.42Å; L239-L255 HydrophobicContact CD2-CD2 3.89Å; L239-V261 HydrophobicContact CD2-CG1 3.91Å; L239-P263 HydrophobicContact CD2-CB 4.29Å; L239-P273 HydrophobicContact CB-CG 4.28Å; L239-P273 HydrophobicContact CD2-CB 4.24Å; L239-P273 HydrophobicContact CD2-CG 3.94Å; L239-P273 HydrophobicContact CG-CB 3.96Å; L239-P273 HydrophobicContact CG-CG 3.93Å |
| 240 | H | 94.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.8 | -39.3 | 174.3 | -73.9 | 89.6 | 0 | 0 | 0 | 111.5 | H236 V237 P238 R244 D271 P273 L276 | H236-H240 HydrophobicContact CB-CB 4.14Å; V237-H240 WeakPolarHBondContact CG2-ND1 3.33Å; V237-H240 PolarHBondContact N-ND1 3.36Å; V237-H240 VanDerWaalsContact N-ND1 3.13Å; V237-H240 VanDerWaalsContact O-CB 3.26Å; V237-H240 WeakPolarHBondContact O-CB 3.12Å; V237-H240 PolarHBondContact O-N 3.26Å; V237-H240 PolarHBondContact O-ND1 2.88Å; P238-H240 PolarHBondContact O-N 3.06Å; H240-R244 WeakPolarHBondContact O-CB 3.34Å; H240-R244 PolarHBondContact O-N 2.82Å; H240-D271 PolarHBondContact NE2-O 3.45Å; H240-D271 VanDerWaalsContact NE2-O 3.14Å; H240-P273 WeakPolarHBondContact NE2-CD 3.12Å; H240-L276 HydrophobicContact CB-CD1 3.63Å |
| 241 | F | 93.3 | Very high | 92.8 | Very high | 3 Ų | 3 | 33 Ų | 33 | 1% | 0.013 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -72.4 | -45.3 | -179.7 | -67.5 | -69.9 | 0 | 0 | 0 | 111.8 | H205 A208 A209 D232 H236 P238 L239 A243 R244 F245 | H205-F241 HydrophobicContact CB-CD2 4.3Å; H205-F241 HydrophobicContact CB-CE2 4.23Å; H205-F241 AromaticContact CD2-CD2 3.86Å; H205-F241 AromaticContact CD2-CE2 3.63Å; A208-F241 HydrophobicContact CB-CB 4.25Å; A209-F241 HydrophobicContact CB-CB 4.02Å; A209-F241 HydrophobicContact CB-CD1 4.19Å; A209-F241 HydrophobicContact CB-CG 4.22Å; D232-F241 WeakPolarHBondContact OD2-CZ 3.41Å; H236-F241 HydrophobicContact CB-CD2 4.49Å; H236-F241 HydrophobicContact CB-CE2 3.62Å; H236-F241 HydrophobicContact CB-CZ 3.76Å; P238-F241 WeakPolarHBondContact O-CB 3.45Å; P238-F241 PolarHBondContact O-N 3.4Å; L239-F241 VanDerWaalsContact C-N 3.27Å; L239-F241 PolarHBondContact O-N 2.88Å; F241-A243 VanDerWaalsContact C-N 3.28Å; F241-A243 PolarHBondContact O-N 2.87Å; F241-R244 PolarHBondContact O-N 2.97Å; F241-F245 HydrophobicContact CD1-CE2 4.18Å; F241-F245 VanDerWaalsContact O-CD2 3.26Å; F241-F245 WeakPolarHBondContact O-CD2 3.4Å; F241-F245 PolarHBondContact O-N 3.46Å |
| 242 | C | 93.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -56.5 | -46 | 175.4 | -50.8 | 0 | 0 | 0 | 0 | 111 | A208 P238 L239 G246 H247 I250 V251 | A208-C242 WeakPolarHBondContact CB-SG 3.44Å; P238-C242 PolarHBondContact O-N 2.78Å; P238-C242 PolarHBondContact O-SG 3.43Å; L239-C242 PolarHBondContact O-N 3.13Å; C242-G246 CarbonylContact O-C 3.59Å; C242-G246 WeakPolarHBondContact O-CA 3.46Å; C242-G246 PolarHBondContact O-N 3.44Å; C242-H247 PolarHBondContact O-N 3.5Å; C242-I250 HydrophobicContact CB-CG2 4.28Å; C242-I250 WeakPolarHBondContact SG-CG2 3.28Å; C242-V251 HydrophobicContact CB-CG2 3.72Å |
| 243 | A | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65 | -44.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L239 F241 F245 G246 P273 A277 M289 | L239-A243 VanDerWaalsContact O-CB 3.24Å; L239-A243 WeakPolarHBondContact O-CB 3.23Å; L239-A243 PolarHBondContact O-N 3.12Å; F241-A243 VanDerWaalsContact C-N 3.28Å; F241-A243 PolarHBondContact O-N 2.87Å; A243-F245 PolarHBondContact O-N 2.47Å; A243-G246 PolarHBondContact O-N 2.98Å; A243-P273 HydrophobicContact CB-CB 3.86Å; A243-P273 VanDerWaalsContact CB-O 3.24Å; A243-P273 WeakPolarHBondContact CB-O 3.44Å; A243-A277 HydrophobicContact CB-CB 4.14Å; A243-A277 WeakPolarHBondContact O-CA 3.41Å; A243-A277 WeakPolarHBondContact O-CB 3.45Å; A243-M289 HydrophobicContact CB-CE 3.51Å |
| 244 | R | 93.1 | Very high | 93.2 | Very high | 31 Ų | 31 | 29 Ų | 29 | 12% | 0.117 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.4 | -44.2 | 179 | -177.4 | 174.9 | -177.7 | 172.4 | -1.9 | 112.8 | D14 H240 F241 L276 N280 K282 | D14-R244 VanDerWaalsContact CG-NH1 3.25Å; D14-R244 VanDerWaalsContact CG-NH2 3.32Å; D14-R244 IonicContact OD1-CZ 3.48Å; D14-R244 VanDerWaalsContact OD1-CZ 3.32Å; D14-R244 IonicContact OD1-NH1 2.66Å; D14-R244 PolarHBondContact OD1-NH1 3.45Å; D14-R244 IonicContact OD1-NH2 3.44Å; D14-R244 PolarHBondContact OD1-NH2 2.75Å; D14-R244 IonicContact OD2-CZ 3.07Å; D14-R244 IonicContact OD2-NH1 3.45Å; D14-R244 PolarHBondContact OD2-NH1 2.69Å; D14-R244 IonicContact OD2-NH2 2.62Å; D14-R244 PolarHBondContact OD2-NH2 3.32Å; H240-R244 WeakPolarHBondContact O-CB 3.34Å; H240-R244 PolarHBondContact O-N 2.82Å; F241-R244 PolarHBondContact O-N 2.97Å; R244-L276 HydrophobicContact CB-CB 4.05Å; R244-L276 HydrophobicContact CB-CD1 4.32Å; R244-N280 WeakPolarHBondContact O-CB 3.44Å; R244-K282 WeakPolarHBondContact O-CE 3.26Å; R244-K282 WeakPolarHBondContact O-CG 3.44Å |
| 245 | F | 93.1 | Very high | 93.5 | Very high | 84 Ų | 84 | 29.9 Ų | 29.9 | 37% | 0.368 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -88.9 | -17.2 | -177.2 | -67 | -67.7 | 0 | 0 | 0 | 113.3 | A209 F241 A243 H247 K282 | A209-F245 HydrophobicContact CB-CD2 4.15Å; A209-F245 HydrophobicContact CB-CE2 3.88Å; A209-F245 WeakPolarHBondContact O-CD2 3.38Å; F241-F245 HydrophobicContact CD1-CE2 4.18Å; F241-F245 VanDerWaalsContact O-CD2 3.26Å; F241-F245 WeakPolarHBondContact O-CD2 3.4Å; F241-F245 PolarHBondContact O-N 3.46Å; A243-F245 PolarHBondContact O-N 2.47Å; F245-H247 WeakPolarHBondContact CB-NE2 3.37Å; F245-K282 WeakPolarHBondContact O-CE 3.37Å; F245-K282 PolarHBondContact O-NZ 2.76Å |
| 246 | G | 94.6 | Very high | 93.3 | Very high | 19 Ų | 19 | 32.6 Ų | 32.6 | 20% | 0.196 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | 26.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | C242 A243 H248 | C242-G246 CarbonylContact O-C 3.59Å; C242-G246 WeakPolarHBondContact O-CA 3.46Å; C242-G246 PolarHBondContact O-N 3.44Å; A243-G246 PolarHBondContact O-N 2.98Å; G246-H248 PolarHBondContact O-N 3.33Å |
| 247 | H | 96.5 | Very high | 92.2 | Very high | 53 Ų | 53 | 35.4 Ų | 35.4 | 25% | 0.245 | 18% | 0.184 | C | C | . | . | trans | -79.7 | 73.3 | 179.5 | -56.2 | -52.6 | 0 | 0 | 0 | 110.3 | A208 A209 G211 C242 F245 E249 I250 V251 | A208-H247 PolarHBondContact O-CD2 2.87Å; A209-H247 PolarHBondContact O-NE2 2.94Å; G211-H247 PolarHBondContact N-NE2 3.2Å; C242-H247 PolarHBondContact O-N 3.5Å; F245-H247 WeakPolarHBondContact CB-NE2 3.37Å; H247-E249 PolarHBondContact O-N 3.44Å; H247-I250 HydrophobicContact CB-CB 4.38Å; H247-I250 HydrophobicContact CB-CD1 3.96Å; H247-I250 HydrophobicContact CB-CG1 4.48Å; H247-I250 PolarHBondContact O-N 2.7Å; H247-I250 VanDerWaalsContact O-N 3.15Å; H247-V251 PolarHBondContact O-N 2.77Å; H247-V251 VanDerWaalsContact O-N 3.15Å | ||
| 248 | H | 94.5 | Very high | 90.6 | Very high | 70 Ų | 70 | 36.9 Ų | 36.9 | 32% | 0.324 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65.7 | -36.3 | -168.3 | 77.4 | 79 | 0 | 0 | 0 | 112.4 | G246 I250 V251 H252 A285 E288 | G246-H248 PolarHBondContact O-N 3.33Å; H248-I250 PolarHBondContact O-N 3.3Å; H248-I250 VanDerWaalsContact O-N 3.15Å; H248-V251 CarbonylContact O-C 3.53Å; H248-V251 WeakPolarHBondContact O-CA 3.38Å; H248-V251 VanDerWaalsContact O-CB 3.28Å; H248-V251 WeakPolarHBondContact O-CB 3.32Å; H248-V251 PolarHBondContact O-N 2.59Å; H248-H252 PolarHBondContact O-N 3.05Å; H248-A285 HydrophobicContact CB-CB 4.15Å; H248-E288 WeakPolarHBondContact CA-OE2 3.48Å; H248-E288 WeakPolarHBondContact CB-OE2 3.49Å; H248-E288 IonicContact CG-OE2 3.19Å; H248-E288 IonicContact ND1-OE2 3.48Å; H248-E288 PolarHBondContact ND1-OE2 2.75Å |
| 249 | E | 94.2 | Very high | 89 | Confident | 123 Ų | 123 | 40.7 Ų | 40.7 | 58% | 0.575 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -57 | -33.9 | 173.6 | -61.6 | -179.7 | 170.5 | 0 | 0 | 113.1 | H247 H252 F253 | H247-E249 PolarHBondContact O-N 3.44Å; E249-H252 WeakPolarHBondContact O-CB 3.41Å; E249-F253 WeakPolarHBondContact O-CB 3.49Å; E249-F253 PolarHBondContact O-N 2.87Å |
| 250 | I | 93.8 | Very high | 88.2 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -77.4 | -36.1 | 175.2 | -64.7 | 166.6 | 0 | 0 | 0 | 110.7 | G211 L213 I216 C242 H247 H248 H252 F253 L254 | G211-I250 VanDerWaalsContact C-CD1 3.46Å; G211-I250 VanDerWaalsContact CA-CD1 3.48Å; L213-I250 HydrophobicContact CB-CG1 4.14Å; L213-I250 HydrophobicContact CD1-CG1 3.94Å; I216-I250 HydrophobicContact CD1-CB 4.2Å; I216-I250 HydrophobicContact CD1-CD1 3.52Å; I216-I250 HydrophobicContact CD1-CG1 3.83Å; I216-I250 HydrophobicContact CD1-CG2 3.29Å; C242-I250 HydrophobicContact CB-CG2 4.28Å; C242-I250 WeakPolarHBondContact SG-CG2 3.28Å; H247-I250 HydrophobicContact CB-CB 4.38Å; H247-I250 HydrophobicContact CB-CD1 3.96Å; H247-I250 HydrophobicContact CB-CG1 4.48Å; H247-I250 PolarHBondContact O-N 2.7Å; H247-I250 VanDerWaalsContact O-N 3.15Å; H248-I250 PolarHBondContact O-N 3.3Å; H248-I250 VanDerWaalsContact O-N 3.15Å; I250-H252 VanDerWaalsContact C-N 3.28Å; I250-H252 PolarHBondContact O-N 3.49Å; I250-F253 PolarHBondContact O-N 3.1Å; I250-L254 HydrophobicContact CG2-CD1 3.86Å; I250-L254 HydrophobicContact CG2-CG 4.09Å; I250-L254 WeakPolarHBondContact O-CB 3.33Å; I250-L254 WeakPolarHBondContact O-CG 3.08Å; I250-L254 PolarHBondContact O-N 2.97Å |
| 251 | V | 94.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.4 | -44.9 | 171.8 | 174.4 | 0 | 0 | 0 | 0 | 109.8 | L239 C242 H247 H248 L255 A285 E288 M289 | L239-V251 HydrophobicContact CD1-CB 4.46Å; L239-V251 HydrophobicContact CD1-CG1 4.21Å; L239-V251 HydrophobicContact CD1-CG2 4.15Å; C242-V251 HydrophobicContact CB-CG2 3.72Å; H247-V251 PolarHBondContact O-N 2.77Å; H247-V251 VanDerWaalsContact O-N 3.15Å; H248-V251 CarbonylContact O-C 3.53Å; H248-V251 WeakPolarHBondContact O-CA 3.38Å; H248-V251 VanDerWaalsContact O-CB 3.28Å; H248-V251 WeakPolarHBondContact O-CB 3.32Å; H248-V251 PolarHBondContact O-N 2.59Å; V251-L255 HydrophobicContact CG1-CD1 3.59Å; V251-L255 HydrophobicContact CG1-CG 4.35Å; V251-L255 VanDerWaalsContact O-CB 3.31Å; V251-L255 WeakPolarHBondContact O-CB 3.38Å; V251-L255 VanDerWaalsContact O-CG 3.27Å; V251-L255 WeakPolarHBondContact O-CG 3.11Å; V251-L255 PolarHBondContact O-N 3.13Å; V251-A285 HydrophobicContact CG2-CB 4.49Å; V251-E288 HydrophobicContact CG1-CG 4.22Å; V251-M289 HydrophobicContact CG1-CB 4.23Å |
| 252 | H | 93.3 | Very high | 87.7 | Confident | 70 Ų | 70 | 53.4 Ų | 53.4 | 32% | 0.324 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -54 | -58.7 | 172.5 | -164.7 | 78 | 0 | 0 | 0 | 111.4 | H248 E249 I250 L254 L255 E256 E288 | H248-H252 PolarHBondContact O-N 3.05Å; E249-H252 WeakPolarHBondContact O-CB 3.41Å; I250-H252 VanDerWaalsContact C-N 3.28Å; I250-H252 PolarHBondContact O-N 3.49Å; H252-L254 VanDerWaalsContact C-N 3.35Å; H252-L254 PolarHBondContact O-N 3.46Å; H252-L255 PolarHBondContact O-N 3.36Å; H252-E256 IonicContact CD2-OE2 3.51Å; H252-E256 PolarHBondContact CD2-OE2 2.76Å; H252-E256 IonicContact CE1-OE2 2.73Å; H252-E256 IonicContact NE2-OE2 3Å; H252-E256 PolarHBondContact NE2-OE2 3.02Å; H252-E256 VanDerWaalsContact O-CB 3.28Å; H252-E256 WeakPolarHBondContact O-CB 3.49Å; H252-E256 PolarHBondContact O-N 2.84Å; H252-E288 HydrophobicContact CB-CG 4.44Å; H252-E288 WeakPolarHBondContact CB-OE1 3.34Å; H252-E288 IonicContact CE1-OE1 3.62Å; H252-E288 IonicContact CG-OE1 3.77Å; H252-E288 VanDerWaalsContact CG-OE1 3.26Å; H252-E288 IonicContact ND1-OE1 3.34Å; H252-E288 PolarHBondContact ND1-OE1 2.98Å |
| 253 | F | 91.9 | Very high | 87.5 | Confident | 58 Ų | 58 | 54.6 Ų | 54.6 | 25% | 0.254 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.2 | -45.9 | -176.1 | 176.2 | -96.7 | 0 | 0 | 0 | 112.4 | L213 I216 N217 V220 E249 I250 G257 | L213-F253 HydrophobicContact CD1-CB 3.94Å; L213-F253 HydrophobicContact CD1-CD1 4.31Å; L213-F253 HydrophobicContact CD1-CD2 4.48Å; L213-F253 HydrophobicContact CD1-CG 3.97Å; I216-F253 HydrophobicContact CG2-CD1 3.76Å; I216-F253 HydrophobicContact CG2-CE1 3.74Å; N217-F253 WeakPolarHBondContact OD1-CD2 3.42Å; N217-F253 WeakPolarHBondContact OD1-CE2 3.3Å; N217-F253 WeakPolarHBondContact OD1-CZ 3.47Å; V220-F253 HydrophobicContact CB-CE1 4.1Å; V220-F253 HydrophobicContact CG1-CE1 4.16Å; E249-F253 WeakPolarHBondContact O-CB 3.49Å; E249-F253 PolarHBondContact O-N 2.87Å; I250-F253 PolarHBondContact O-N 3.1Å; F253-G257 WeakPolarHBondContact O-CA 3.44Å; F253-G257 PolarHBondContact O-N 2.99Å |
| 254 | L | 90.7 | Very high | 87.3 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.4 | -41.2 | -179 | -70 | 177.5 | 0 | 0 | 0 | 112.3 | I216 V220 I250 H252 S258 V261 | I216-L254 HydrophobicContact CG2-CD2 4.17Å; V220-L254 HydrophobicContact CG2-CD2 4.38Å; I250-L254 HydrophobicContact CG2-CD1 3.86Å; I250-L254 HydrophobicContact CG2-CG 4.09Å; I250-L254 WeakPolarHBondContact O-CB 3.33Å; I250-L254 WeakPolarHBondContact O-CG 3.08Å; I250-L254 PolarHBondContact O-N 2.97Å; H252-L254 VanDerWaalsContact C-N 3.35Å; H252-L254 PolarHBondContact O-N 3.46Å; L254-S258 PolarHBondContact O-OG 3.48Å; L254-V261 HydrophobicContact CB-CG2 4.33Å; L254-V261 WeakPolarHBondContact O-CG2 3.31Å |
| 255 | L | 89.9 | Confident | 87.2 | Confident | 30 Ų | 30 | 55 Ų | 55 | 16% | 0.157 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -80.5 | -34.2 | -175.8 | -67.2 | 177.8 | 0 | 0 | 0 | 113.5 | L239 V251 H252 V261 P263 M289 L292 S293 | L239-L255 HydrophobicContact CD1-CG 4.42Å; L239-L255 HydrophobicContact CD2-CD2 3.89Å; V251-L255 HydrophobicContact CG1-CD1 3.59Å; V251-L255 HydrophobicContact CG1-CG 4.35Å; V251-L255 VanDerWaalsContact O-CB 3.31Å; V251-L255 WeakPolarHBondContact O-CB 3.38Å; V251-L255 VanDerWaalsContact O-CG 3.27Å; V251-L255 WeakPolarHBondContact O-CG 3.11Å; V251-L255 PolarHBondContact O-N 3.13Å; H252-L255 PolarHBondContact O-N 3.36Å; L255-V261 HydrophobicContact CD2-CG1 3.78Å; L255-P263 HydrophobicContact CD2-CB 3.87Å; L255-M289 HydrophobicContact CD1-CB 4.48Å; L255-M289 HydrophobicContact CD1-CG 4.22Å; L255-L292 HydrophobicContact CB-CB 4.07Å; L255-L292 HydrophobicContact CB-CD1 3.87Å; L255-L292 HydrophobicContact CD1-CB 4.01Å; L255-L292 HydrophobicContact CD1-CD1 4.22Å; L255-S293 WeakPolarHBondContact CD1-OG 3.43Å |
| 256 | E | 85.4 | Confident | 87.2 | Confident | 132 Ų | 132 | 53.4 Ų | 53.4 | 62% | 0.617 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -84.7 | -39.7 | 178.1 | -167.4 | -176 | -141.7 | 0 | 0 | 111.8 | H252 | H252-E256 IonicContact CD2-OE2 3.51Å; H252-E256 PolarHBondContact CD2-OE2 2.76Å; H252-E256 IonicContact CE1-OE2 2.73Å; H252-E256 IonicContact NE2-OE2 3Å; H252-E256 PolarHBondContact NE2-OE2 3.02Å; H252-E256 VanDerWaalsContact O-CB 3.28Å; H252-E256 WeakPolarHBondContact O-CB 3.49Å; H252-E256 PolarHBondContact O-N 2.84Å |
| 257 | G | 68.3 | Low | 86.9 | Confident | 61 Ų | 61 | 52.8 Ų | 52.8 | 63% | 0.629 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -87.7 | -16.2 | -164.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | F253 | F253-G257 WeakPolarHBondContact O-CA 3.44Å; F253-G257 PolarHBondContact O-N 2.99Å |
| 258 | S | 61.1 | Low | 86.4 | Confident | 32 Ų | 32 | 53.2 Ų | 53.2 | 22% | 0.224 | 30% | 0.299 | C | S | . | . | trans | -120.3 | -16.8 | -166.1 | 69.9 | 0 | 0 | 0 | 0 | 116.8 | L254 E260 V261 | L254-S258 PolarHBondContact O-OG 3.48Å; S258-E260 PolarHBondContact O-N 3.27Å; S258-V261 WeakPolarHBondContact OG-CG2 3.25Å | ||
| 259 | G | 61.4 | Low | 86 | Confident | 81 Ų | 81 | 51.3 Ų | 51.3 | 84% | 0.835 | 29% | 0.289 | S | S | * | . | S | Bend | trans | 59.4 | -16.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 260 | E | 79.8 | Confident | 85.8 | Confident | 150 Ų | 150 | 46.1 Ų | 46.1 | 70% | 0.701 | 27% | 0.269 | S | S | * | . | trans | -101.7 | -17.8 | -174.3 | -66.7 | -176.4 | -179.6 | 0 | 0 | 112.6 | V228 N229 S258 Q262 | V228-E260 HydrophobicContact CG2-CB 4.41Å; N229-E260 PolarHBondContact ND2-O 3.12Å; S258-E260 PolarHBondContact O-N 3.27Å; E260-Q262 PolarHBondContact O-N 2.84Å | ||
| 261 | V | 86.8 | Confident | 85.7 | Confident | 20 Ų | 20 | 46 Ų | 46 | 12% | 0.121 | 27% | 0.268 | C | S | . | . | trans | -61.6 | 136.8 | -178.6 | 169.3 | 0 | 0 | 0 | 0 | 111.1 | V228 N229 L239 L254 L255 S258 P263 | V228-V261 HydrophobicContact CB-CG2 3.91Å; V228-V261 HydrophobicContact CG2-CG2 3.61Å; N229-V261 WeakPolarHBondContact OD1-CA 3.39Å; L239-V261 HydrophobicContact CD2-CG1 3.91Å; L254-V261 HydrophobicContact CB-CG2 4.33Å; L254-V261 WeakPolarHBondContact O-CG2 3.31Å; L255-V261 HydrophobicContact CD2-CG1 3.78Å; S258-V261 WeakPolarHBondContact OG-CG2 3.25Å; V261-P263 WeakPolarHBondContact O-CD 3.12Å | ||
| 262 | Q | 89.8 | Confident | 85.7 | Confident | 102 Ų | 102 | 46 Ų | 46 | 48% | 0.477 | 27% | 0.268 | S | S | . | . | trans | -98.5 | 90.4 | 177.1 | -64.9 | -176 | 0.9 | 0 | 0 | 110.6 | N229 E260 H264 S265 | N229-Q262 PolarHBondContact OD1-N 2.91Å; E260-Q262 PolarHBondContact O-N 2.84Å; Q262-H264 PolarHBondContact O-N 3.31Å; Q262-S265 WeakPolarHBondContact O-CB 3.49Å; Q262-S265 PolarHBondContact O-N 3Å; Q262-S265 PolarHBondContact O-OG 3.26Å | ||
| 263 | P | 89.3 | Confident | 85.8 | Confident | 24 Ų | 24 | 42.6 Ų | 42.6 | 16% | 0.156 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -23.3 | -174.6 | 25.2 | -35.5 | 0 | 0 | 0 | 114.2 | L239 L255 V261 P273 S293 | L239-P263 HydrophobicContact CD2-CB 4.29Å; L255-P263 HydrophobicContact CD2-CB 3.87Å; V261-P263 WeakPolarHBondContact O-CD 3.12Å; P263-P273 WeakPolarHBondContact O-CD 3.35Å; P263-S293 WeakPolarHBondContact CB-OG 3.2Å |
| 264 | H | 91.2 | Very high | 86 | Confident | 32 Ų | 32 | 40 Ų | 40 | 15% | 0.148 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 15.5 | -177.1 | -48.7 | -58.4 | 0 | 0 | 0 | 113 | Q262 S293 E296 S297 K300 | Q262-H264 PolarHBondContact O-N 3.31Å; H264-S293 PolarHBondContact CE1-O 3.44Å; H264-S293 PolarHBondContact NE2-O 2.66Å; H264-E296 IonicContact CD2-OE2 3.73Å; H264-E296 PolarHBondContact CD2-OE2 3.14Å; H264-E296 IonicContact NE2-OE2 3.62Å; H264-S297 PolarHBondContact ND1-OG 3.16Å; H264-K300 PolarHBondContact O-NZ 3.45Å |
| 265 | S | 92.1 | Very high | 86.2 | Confident | 7 Ų | 7 | 39.9 Ų | 39.9 | 5% | 0.049 | 24% | 0.241 | C | C | . | . | trans | -59.3 | 150.9 | 171.7 | 53.4 | 0 | 0 | 0 | 0 | 110.5 | V237 Q262 T272 P273 | V237-S265 WeakPolarHBondContact CG2-OG 3.39Å; Q262-S265 WeakPolarHBondContact O-CB 3.49Å; Q262-S265 PolarHBondContact O-N 3Å; Q262-S265 PolarHBondContact O-OG 3.26Å; S265-T272 WeakPolarHBondContact O-CA 3.47Å; S265-P273 WeakPolarHBondContact O-CD 3.33Å | ||
| 266 | V | 92.6 | Very high | 86.4 | Confident | 52 Ų | 52 | 38.5 Ų | 38.5 | 32% | 0.315 | 23% | 0.234 | S | C | . | . | trans | -122.9 | 144.6 | -180 | -66.8 | 0 | 0 | 0 | 0 | 110 | D271 T272 | V266-D271 WeakPolarHBondContact CA-O 3.46Å; V266-T272 HydrophobicContact CG1-CG2 3.73Å | ||
| 267 | N | 88.3 | Confident | 86.8 | Confident | 5 Ų | 5 | 32.2 Ų | 32.2 | 3% | 0.027 | 20% | 0.204 | C | C | . | . | trans | -85 | -174.4 | 172.3 | 72.7 | 5.4 | 0 | 0 | 0 | 111.6 | E234 H236 Y269 G270 D271 | E234-N267 WeakPolarHBondContact O-CB 3.42Å; H236-N267 PolarHBondContact NE2-ND2 3.37Å; N267-Y269 PolarHBondContact O-N 3.39Å; N267-Y269 WeakPolarHBondContact OD1-CA 3.36Å; N267-Y269 WeakPolarHBondContact OD1-CB 3.28Å; N267-Y269 PolarHBondContact OD1-N 3.21Å; N267-G270 PolarHBondContact O-N 3.35Å; N267-G270 PolarHBondContact OD1-N 2.83Å; N267-D271 PolarHBondContact N-O 3.33Å; N267-D271 WeakPolarHBondContact OD1-CB 3.49Å; N267-D271 PolarHBondContact OD1-N 3.25Å | ||
| 268 | I | 85.9 | Confident | 88.1 | Confident | 62 Ų | 62 | 29.5 Ų | 29.5 | 32% | 0.318 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -18.8 | 178.6 | 62.3 | 169.7 | 0 | 0 | 0 | 114.4 | E234 E235 G270 | E234-I268 HydrophobicContact CB-CD1 4.04Å; E234-I268 HydrophobicContact CB-CG1 4.22Å; E234-I268 HydrophobicContact CG-CD1 3.94Å; E234-I268 WeakPolarHBondContact O-CG2 3.35Å; E234-I268 PolarHBondContact O-N 3.09Å; E235-I268 HydrophobicContact CB-CG2 4.01Å; E235-I268 HydrophobicContact CG-CG2 3.76Å; I268-G270 VanDerWaalsContact C-N 3.35Å |
| 269 | Y | 85.6 | Confident | 89.6 | Confident | 30 Ų | 30 | 28 Ų | 28 | 12% | 0.118 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -1.9 | 176.7 | -53.7 | -73 | 0 | 0 | 0 | 111.9 | T11 N267 D271 N302 I303 F304 | T11-Y269 HydrophobicContact CG2-CE2 4.25Å; N267-Y269 PolarHBondContact O-N 3.39Å; N267-Y269 WeakPolarHBondContact OD1-CA 3.36Å; N267-Y269 WeakPolarHBondContact OD1-CB 3.28Å; N267-Y269 PolarHBondContact OD1-N 3.21Å; Y269-D271 PolarHBondContact O-N 3.31Å; Y269-N302 VanDerWaalsContact O-CB 3.31Å; Y269-N302 WeakPolarHBondContact O-CB 3.25Å; Y269-I303 HydrophobicContact CD1-CD1 3.95Å; Y269-I303 WeakPolarHBondContact O-CG1 3.44Å; Y269-I303 WeakPolarHBondContact O-CG2 3.37Å; Y269-I303 PolarHBondContact O-N 3.48Å; Y269-F304 HydrophobicContact CD1-CE2 4.49Å; Y269-F304 HydrophobicContact CD1-CZ 4.42Å |
| 270 | G | 89.4 | Confident | 91 | Very high | 15 Ų | 15 | 25.8 Ų | 25.8 | 16% | 0.155 | 13% | 0.134 | C | C | . | . | trans | 74.7 | 7.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | N267 I268 | N267-G270 PolarHBondContact O-N 3.35Å; N267-G270 PolarHBondContact OD1-N 2.83Å; I268-G270 VanDerWaalsContact C-N 3.35Å | ||
| 271 | D | 92 | Very high | 91.7 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -74.7 | 131.3 | 177.5 | -64.4 | -42.6 | 0 | 0 | 0 | 109.5 | R7 H240 V266 N267 Y269 H275 L276 N302 | R7-D271 IonicContact CZ-OD2 2.98Å; R7-D271 IonicContact NE-OD2 3.48Å; R7-D271 IonicContact NH2-OD2 2.96Å; R7-D271 PolarHBondContact NH2-OD2 2.84Å; H240-D271 PolarHBondContact NE2-O 3.45Å; H240-D271 VanDerWaalsContact NE2-O 3.14Å; V266-D271 WeakPolarHBondContact CA-O 3.46Å; N267-D271 PolarHBondContact N-O 3.33Å; N267-D271 WeakPolarHBondContact OD1-CB 3.49Å; N267-D271 PolarHBondContact OD1-N 3.25Å; Y269-D271 PolarHBondContact O-N 3.31Å; D271-H275 HydrophobicContact CB-CB 3.98Å; D271-L276 HydrophobicContact CB-CD2 3.95Å; D271-L276 HydrophobicContact CB-CG 4.39Å; D271-N302 PolarHBondContact OD1-ND2 3.36Å | ||
| 272 | T | 95.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -83.7 | 166.5 | 163.9 | 69.3 | 0 | 0 | 0 | 0 | 110.8 | S265 V266 L274 H275 L276 K300 | S265-T272 WeakPolarHBondContact O-CA 3.47Å; V266-T272 HydrophobicContact CG1-CG2 3.73Å; T272-L274 PolarHBondContact O-N 2.88Å; T272-L274 VanDerWaalsContact O-N 3.13Å; T272-L274 PolarHBondContact OG1-N 3.43Å; T272-H275 PolarHBondContact N-ND1 3.49Å; T272-H275 VanDerWaalsContact N-ND1 3.16Å; T272-H275 WeakPolarHBondContact O-CB 3.44Å; T272-H275 PolarHBondContact O-N 3.26Å; T272-H275 PolarHBondContact OG1-N 3.38Å; T272-H275 PolarHBondContact OG1-ND1 3.25Å; T272-L276 PolarHBondContact O-N 2.63Å; T272-K300 HydrophobicContact CG2-CB 4.31Å; T272-K300 HydrophobicContact CG2-CD 3.8Å | ||
| 273 | P | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -51.8 | -35.9 | 170.6 | -28.5 | 36.7 | 0 | 0 | 0 | 112.9 | L239 H240 A243 P263 S265 L276 A277 M289 | L239-P273 HydrophobicContact CB-CG 4.28Å; L239-P273 HydrophobicContact CD2-CB 4.24Å; L239-P273 HydrophobicContact CD2-CG 3.94Å; L239-P273 HydrophobicContact CG-CB 3.96Å; L239-P273 HydrophobicContact CG-CG 3.93Å; H240-P273 WeakPolarHBondContact NE2-CD 3.12Å; A243-P273 HydrophobicContact CB-CB 3.86Å; A243-P273 VanDerWaalsContact CB-O 3.24Å; A243-P273 WeakPolarHBondContact CB-O 3.44Å; P263-P273 WeakPolarHBondContact O-CD 3.35Å; S265-P273 WeakPolarHBondContact O-CD 3.33Å; P273-L276 PolarHBondContact O-N 3.35Å; P273-A277 PolarHBondContact O-N 3.01Å; P273-M289 HydrophobicContact CB-CE 3.58Å; P273-M289 HydrophobicContact CB-SD 3.95Å |
| 274 | L | 96 | Very high | 92.8 | Very high | 3 Ų | 3 | 22.2 Ų | 22.2 | 2% | 0.016 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.1 | -40.8 | 177.3 | -171.3 | 60.1 | 0 | 0 | 0 | 112.5 | T272 L276 A277 C278 V286 M289 I290 F298 P308 | T272-L274 PolarHBondContact O-N 2.88Å; T272-L274 VanDerWaalsContact O-N 3.13Å; T272-L274 PolarHBondContact OG1-N 3.43Å; L274-L276 VanDerWaalsContact C-N 3.32Å; L274-L276 PolarHBondContact O-N 3Å; L274-A277 PolarHBondContact O-N 3.43Å; L274-C278 WeakPolarHBondContact O-CB 3.44Å; L274-C278 PolarHBondContact O-N 3.03Å; L274-C278 PolarHBondContact O-SG 3.01Å; L274-V286 HydrophobicContact CD1-CB 4.4Å; L274-V286 HydrophobicContact CD1-CG1 4.06Å; L274-V286 HydrophobicContact CD1-CG2 4.23Å; L274-M289 HydrophobicContact CB-SD 3.73Å; L274-M289 HydrophobicContact CD1-SD 4.16Å; L274-M289 PolarHBondContact N-SD 3.18Å; L274-I290 HydrophobicContact CD1-CD1 4.14Å; L274-I290 HydrophobicContact CD1-CG1 4.1Å; L274-I290 HydrophobicContact CD2-CG1 4.38Å; L274-F298 HydrophobicContact CD2-CD2 4.05Å; L274-F298 HydrophobicContact CD2-CE2 4.04Å; L274-P308 HydrophobicContact CB-CG 4.44Å; L274-P308 HydrophobicContact CD2-CB 4.05Å; L274-P308 HydrophobicContact CD2-CG 3.88Å; L274-P308 HydrophobicContact CG-CB 3.96Å; L274-P308 HydrophobicContact CG-CG 4.04Å |
| 275 | H | 94.4 | Very high | 93 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57.4 | -48.2 | 174.1 | -70.7 | 78.8 | 0 | 0 | 0 | 110.4 | D271 T272 A277 C278 Y279 K300 E306 S311 | D271-H275 HydrophobicContact CB-CB 3.98Å; T272-H275 PolarHBondContact N-ND1 3.49Å; T272-H275 VanDerWaalsContact N-ND1 3.16Å; T272-H275 WeakPolarHBondContact O-CB 3.44Å; T272-H275 PolarHBondContact O-N 3.26Å; T272-H275 PolarHBondContact OG1-N 3.38Å; T272-H275 PolarHBondContact OG1-ND1 3.25Å; H275-A277 PolarHBondContact O-N 3.43Å; H275-C278 WeakPolarHBondContact O-CB 3.22Å; H275-C278 PolarHBondContact O-N 3.11Å; H275-C278 VanDerWaalsContact O-N 3.15Å; H275-Y279 HydrophobicContact CB-CD2 4.38Å; H275-Y279 HydrophobicContact CB-CE2 4.2Å; H275-Y279 WeakPolarHBondContact O-CD2 3.35Å; H275-Y279 PolarHBondContact O-N 3.37Å; H275-K300 PolarHBondContact CE1-O 3.39Å; H275-K300 PolarHBondContact NE2-O 3.05Å; H275-K300 VanDerWaalsContact NE2-O 3.07Å; H275-E306 PolarHBondContact NE2-O 3.44Å; H275-E306 VanDerWaalsContact NE2-O 3.16Å; H275-S311 PolarHBondContact CD2-OG 3.48Å |
| 276 | L | 93.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.9 | -40.1 | -178.4 | -59.5 | -170 | 0 | 0 | 0 | 113.1 | H240 R244 D271 T272 P273 L274 C278 N280 | H240-L276 HydrophobicContact CB-CD1 3.63Å; R244-L276 HydrophobicContact CB-CB 4.05Å; R244-L276 HydrophobicContact CB-CD1 4.32Å; D271-L276 HydrophobicContact CB-CD2 3.95Å; D271-L276 HydrophobicContact CB-CG 4.39Å; T272-L276 PolarHBondContact O-N 2.63Å; P273-L276 PolarHBondContact O-N 3.35Å; L274-L276 VanDerWaalsContact C-N 3.32Å; L274-L276 PolarHBondContact O-N 3Å; L276-C278 VanDerWaalsContact C-N 3.35Å; L276-N280 WeakPolarHBondContact O-CB 3.31Å; L276-N280 PolarHBondContact O-N 3.39Å; L276-N280 PolarHBondContact O-ND2 3.43Å |
| 277 | A | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64 | -41.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A243 P273 L274 H275 N280 G281 K282 V286 | A243-A277 HydrophobicContact CB-CB 4.14Å; A243-A277 WeakPolarHBondContact O-CA 3.41Å; A243-A277 WeakPolarHBondContact O-CB 3.45Å; P273-A277 PolarHBondContact O-N 3.01Å; L274-A277 PolarHBondContact O-N 3.43Å; H275-A277 PolarHBondContact O-N 3.43Å; A277-N280 CarbonylContact O-C 3.49Å; A277-N280 PolarHBondContact O-N 3.49Å; A277-G281 PolarHBondContact O-N 3.31Å; A277-K282 HydrophobicContact CB-CB 4.31Å; A277-K282 PolarHBondContact O-N 3.29Å; A277-V286 HydrophobicContact CB-CG2 3.56Å |
| 278 | C | 94.8 | Very high | 93.6 | Very high | 3 Ų | 3 | 23.4 Ų | 23.4 | 2% | 0.02 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.4 | -49.9 | 178.3 | -68.8 | 0 | 0 | 0 | 0 | 112.3 | L274 H275 L276 N280 G281 P308 A312 M321 | L274-C278 WeakPolarHBondContact O-CB 3.44Å; L274-C278 PolarHBondContact O-N 3.03Å; L274-C278 PolarHBondContact O-SG 3.01Å; H275-C278 WeakPolarHBondContact O-CB 3.22Å; H275-C278 PolarHBondContact O-N 3.11Å; H275-C278 VanDerWaalsContact O-N 3.15Å; L276-C278 VanDerWaalsContact C-N 3.35Å; C278-N280 PolarHBondContact O-N 3Å; C278-N280 VanDerWaalsContact O-N 3.1Å; C278-G281 PolarHBondContact O-N 2.98Å; C278-G281 VanDerWaalsContact O-N 3.16Å; C278-P308 WeakPolarHBondContact CB-O 3.29Å; C278-A312 HydrophobicContact CB-CB 4.02Å; C278-M321 HydrophobicContact CB-SD 4.29Å |
| 279 | Y | 91.6 | Very high | 94 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -55.7 | -30.7 | 174.5 | -75.9 | -61 | 0 | 0 | 0 | 113.2 | R7 H275 N302 E306 S311 T314 Y315 K317 | R7-Y279 VanDerWaalsContact CD-CZ 3.44Å; R7-Y279 VanDerWaalsContact CZ-CD2 3.47Å; R7-Y279 VanDerWaalsContact CZ-CE2 3.47Å; R7-Y279 VanDerWaalsContact NH1-CE2 3.33Å; H275-Y279 HydrophobicContact CB-CD2 4.38Å; H275-Y279 HydrophobicContact CB-CE2 4.2Å; H275-Y279 WeakPolarHBondContact O-CD2 3.35Å; H275-Y279 PolarHBondContact O-N 3.37Å; Y279-N302 PolarHBondContact OH-ND2 3.46Å; Y279-E306 WeakPolarHBondContact CE1-OE2 3.22Å; Y279-E306 PolarHBondContact OH-OE2 2.9Å; Y279-S311 WeakPolarHBondContact CD1-O 3.49Å; Y279-S311 WeakPolarHBondContact CE2-OG 3.44Å; Y279-T314 HydrophobicContact CD1-CG2 4.36Å; Y279-T314 HydrophobicContact CE1-CG2 4.02Å; Y279-Y315 AromaticContact CD1-CD2 3.68Å; Y279-Y315 HydrophobicContact CD1-CD2 3.68Å; Y279-Y315 AromaticContact CD1-CE2 3.66Å; Y279-Y315 HydrophobicContact CD1-CE2 3.66Å; Y279-Y315 HydrophobicContact CE1-CE2 4.39Å; Y279-Y315 HydrophobicContact CG-CD2 4.27Å; Y279-Y315 HydrophobicContact CG-CE2 4.22Å; Y279-Y315 VanDerWaalsContact O-CD2 3.3Å; Y279-Y315 WeakPolarHBondContact O-CD2 3.3Å; Y279-K317 WeakPolarHBondContact O-CD 3.33Å |
| 280 | N | 91.6 | Very high | 94.3 | Very high | 36 Ų | 36 | 19.7 Ų | 19.7 | 19% | 0.193 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 3.7 | -175.3 | -72.1 | -73.4 | 0 | 0 | 0 | 114.4 | R244 L276 A277 C278 K282 K317 | R244-N280 WeakPolarHBondContact O-CB 3.44Å; L276-N280 WeakPolarHBondContact O-CB 3.31Å; L276-N280 PolarHBondContact O-N 3.39Å; L276-N280 PolarHBondContact O-ND2 3.43Å; A277-N280 CarbonylContact O-C 3.49Å; A277-N280 PolarHBondContact O-N 3.49Å; C278-N280 PolarHBondContact O-N 3Å; C278-N280 VanDerWaalsContact O-N 3.1Å; N280-K282 HydrophobicContact CB-CD 4.43Å; N280-K282 HydrophobicContact CB-CG 3.86Å; N280-K282 PolarHBondContact O-N 2.8Å; N280-K317 PolarHBondContact OD1-NZ 3.26Å |
| 281 | G | 94.2 | Very high | 94.4 | Very high | 17 Ų | 17 | 25.4 Ų | 25.4 | 18% | 0.175 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 28.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | A277 C278 F283 | A277-G281 PolarHBondContact O-N 3.31Å; C278-G281 PolarHBondContact O-N 2.98Å; C278-G281 VanDerWaalsContact O-N 3.16Å; G281-F283 PolarHBondContact O-N 3.15Å; G281-F283 VanDerWaalsContact O-N 3.1Å |
| 282 | K | 96.6 | Very high | 94.4 | Very high | 71 Ų | 71 | 28.7 Ų | 28.7 | 31% | 0.309 | 15% | 0.147 | S | C | . | . | trans | -84.8 | 71.2 | -178.3 | -55.2 | -53.2 | -176.4 | 157.2 | 0 | 112.3 | R244 F245 A277 N280 S284 A285 V286 | R244-K282 WeakPolarHBondContact O-CE 3.26Å; R244-K282 WeakPolarHBondContact O-CG 3.44Å; F245-K282 WeakPolarHBondContact O-CE 3.37Å; F245-K282 PolarHBondContact O-NZ 2.76Å; A277-K282 HydrophobicContact CB-CB 4.31Å; A277-K282 PolarHBondContact O-N 3.29Å; N280-K282 HydrophobicContact CB-CD 4.43Å; N280-K282 HydrophobicContact CB-CG 3.86Å; N280-K282 PolarHBondContact O-N 2.8Å; K282-S284 PolarHBondContact O-N 3.12Å; K282-A285 HydrophobicContact CB-CB 4.25Å; K282-A285 PolarHBondContact O-N 2.79Å; K282-V286 WeakPolarHBondContact O-CG2 3.21Å; K282-V286 PolarHBondContact O-N 2.94Å | ||
| 283 | F | 96.2 | Very high | 94 | Very high | 63 Ų | 63 | 29.7 Ų | 29.7 | 28% | 0.276 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -58.5 | -44.6 | -170.8 | -178 | -136.9 | 0 | 0 | 0 | 115.3 | G281 A285 V286 K287 D318 M321 F324 | G281-F283 PolarHBondContact O-N 3.15Å; G281-F283 VanDerWaalsContact O-N 3.1Å; F283-A285 VanDerWaalsContact C-N 3.32Å; F283-A285 PolarHBondContact O-N 3.24Å; F283-V286 WeakPolarHBondContact O-CB 3.46Å; F283-V286 PolarHBondContact O-N 3.24Å; F283-K287 PolarHBondContact O-N 3.35Å; F283-D318 WeakPolarHBondContact CB-OD2 2.86Å; F283-M321 HydrophobicContact CB-CB 4.36Å; F283-M321 HydrophobicContact CB-CE 4.04Å; F283-M321 HydrophobicContact CD2-CB 3.87Å; F283-M321 HydrophobicContact CD2-CG 4.2Å; F283-M321 HydrophobicContact CG-CB 4.34Å; F283-M321 VanDerWaalsContact N-CE 3.35Å; F283-F324 HydrophobicContact CE2-CB 3.48Å; F283-F324 VanDerWaalsContact CE2-CB 3.48Å; F283-F324 AromaticContact CE2-CD1 3.85Å; F283-F324 HydrophobicContact CE2-CD1 3.85Å; F283-F324 HydrophobicContact CE2-CD2 4.24Å; F283-F324 AromaticContact CE2-CG 3.59Å; F283-F324 HydrophobicContact CE2-CG 3.59Å; F283-F324 HydrophobicContact CZ-CB 3.9Å; F283-F324 HydrophobicContact CZ-CD2 4.36Å; F283-F324 HydrophobicContact CZ-CG 4.09Å |
| 284 | S | 96.9 | Very high | 93.6 | Very high | 69 Ų | 69 | 31.3 Ų | 31.3 | 48% | 0.483 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -58.6 | -43.8 | 177.3 | -51.2 | 0 | 0 | 0 | 0 | 112.2 | K282 K287 E288 | K282-S284 PolarHBondContact O-N 3.12Å; S284-K287 PolarHBondContact O-N 3.35Å; S284-E288 WeakPolarHBondContact O-CB 3.49Å; S284-E288 PolarHBondContact O-N 3.27Å |
| 285 | A | 95.8 | Very high | 93 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.008 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.5 | -36.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | H248 V251 K282 F283 M289 | H248-A285 HydrophobicContact CB-CB 4.15Å; V251-A285 HydrophobicContact CG2-CB 4.49Å; K282-A285 HydrophobicContact CB-CB 4.25Å; K282-A285 PolarHBondContact O-N 2.79Å; F283-A285 VanDerWaalsContact C-N 3.32Å; F283-A285 PolarHBondContact O-N 3.24Å; A285-M289 VanDerWaalsContact O-CB 3.25Å; A285-M289 WeakPolarHBondContact O-CB 3.29Å; A285-M289 PolarHBondContact O-N 3.32Å |
| 286 | V | 95.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.3 | -50.5 | 172.7 | 167.4 | 0 | 0 | 0 | 0 | 110.4 | L274 A277 K282 F283 E288 M289 I290 M321 F324 L325 | L274-V286 HydrophobicContact CD1-CB 4.4Å; L274-V286 HydrophobicContact CD1-CG1 4.06Å; L274-V286 HydrophobicContact CD1-CG2 4.23Å; A277-V286 HydrophobicContact CB-CG2 3.56Å; K282-V286 WeakPolarHBondContact O-CG2 3.21Å; K282-V286 PolarHBondContact O-N 2.94Å; F283-V286 WeakPolarHBondContact O-CB 3.46Å; F283-V286 PolarHBondContact O-N 3.24Å; V286-E288 PolarHBondContact O-N 2.92Å; V286-M289 PolarHBondContact O-N 3.27Å; V286-I290 HydrophobicContact CG1-CD1 3.65Å; V286-I290 WeakPolarHBondContact O-CB 3Å; V286-I290 WeakPolarHBondContact O-CD1 3.43Å; V286-I290 WeakPolarHBondContact O-CG1 3.35Å; V286-I290 PolarHBondContact O-N 3.39Å; V286-I290 VanDerWaalsContact O-N 3.08Å; V286-M321 HydrophobicContact CG1-CG 4.29Å; V286-M321 HydrophobicContact CG2-CE 3.82Å; V286-M321 HydrophobicContact CG2-CG 4.39Å; V286-M321 HydrophobicContact CG2-SD 3.97Å; V286-F324 HydrophobicContact CG1-CD1 4.38Å; V286-F324 HydrophobicContact CG1-CE1 4.46Å; V286-L325 HydrophobicContact CG1-CD2 3.93Å; V286-L325 HydrophobicContact CG1-CG 4.49Å |
| 287 | K | 94.8 | Very high | 92.1 | Very high | 93 Ų | 93 | 41.1 Ų | 41.1 | 40% | 0.404 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.6 | -49 | -179.7 | -175.6 | -178.4 | 179.7 | -174.5 | 0 | 111.3 | F283 S284 I290 Q291 F324 | F283-K287 PolarHBondContact O-N 3.35Å; S284-K287 PolarHBondContact O-N 3.35Å; K287-I290 PolarHBondContact O-N 3.48Å; K287-Q291 WeakPolarHBondContact O-CB 3.35Å; K287-Q291 VanDerWaalsContact O-CG 3.26Å; K287-Q291 WeakPolarHBondContact O-CG 3.43Å; K287-Q291 PolarHBondContact O-N 3.33Å; K287-F324 HydrophobicContact CB-CE1 4.31Å; K287-F324 HydrophobicContact CB-CZ 4.23Å; K287-F324 HydrophobicContact CG-CE1 4.44Å; K287-F324 HydrophobicContact CG-CE2 4.17Å; K287-F324 HydrophobicContact CG-CZ 3.86Å |
| 288 | E | 94.5 | Very high | 91.6 | Very high | 27 Ų | 27 | 41.1 Ų | 41.1 | 13% | 0.126 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.3 | -47.4 | -178.6 | -175.7 | 141.1 | -130.1 | 0 | 0 | 112.5 | H248 V251 H252 S284 V286 I290 Q291 L292 | H248-E288 WeakPolarHBondContact CA-OE2 3.48Å; H248-E288 WeakPolarHBondContact CB-OE2 3.49Å; H248-E288 IonicContact CG-OE2 3.19Å; H248-E288 IonicContact ND1-OE2 3.48Å; H248-E288 PolarHBondContact ND1-OE2 2.75Å; V251-E288 HydrophobicContact CG1-CG 4.22Å; H252-E288 HydrophobicContact CB-CG 4.44Å; H252-E288 WeakPolarHBondContact CB-OE1 3.34Å; H252-E288 IonicContact CE1-OE1 3.62Å; H252-E288 IonicContact CG-OE1 3.77Å; H252-E288 VanDerWaalsContact CG-OE1 3.26Å; H252-E288 IonicContact ND1-OE1 3.34Å; H252-E288 PolarHBondContact ND1-OE1 2.98Å; S284-E288 WeakPolarHBondContact O-CB 3.49Å; S284-E288 PolarHBondContact O-N 3.27Å; V286-E288 PolarHBondContact O-N 2.92Å; E288-I290 VanDerWaalsContact C-N 3.3Å; E288-I290 PolarHBondContact O-N 2.87Å; E288-Q291 PolarHBondContact O-N 3.3Å; E288-L292 HydrophobicContact CG-CD1 3.87Å; E288-L292 WeakPolarHBondContact O-CG 3.47Å; E288-L292 PolarHBondContact O-N 3.5Å |
| 289 | M | 93.5 | Very high | 91.3 | Very high | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.8 | -38.1 | 178.3 | -171 | -175 | -56.8 | 0 | 0 | 112.3 | A243 V251 L255 P273 L274 A285 V286 S293 | A243-M289 HydrophobicContact CB-CE 3.51Å; V251-M289 HydrophobicContact CG1-CB 4.23Å; L255-M289 HydrophobicContact CD1-CB 4.48Å; L255-M289 HydrophobicContact CD1-CG 4.22Å; P273-M289 HydrophobicContact CB-CE 3.58Å; P273-M289 HydrophobicContact CB-SD 3.95Å; L274-M289 HydrophobicContact CB-SD 3.73Å; L274-M289 HydrophobicContact CD1-SD 4.16Å; L274-M289 PolarHBondContact N-SD 3.18Å; A285-M289 VanDerWaalsContact O-CB 3.25Å; A285-M289 WeakPolarHBondContact O-CB 3.29Å; A285-M289 PolarHBondContact O-N 3.32Å; V286-M289 PolarHBondContact O-N 3.27Å; M289-S293 WeakPolarHBondContact O-CA 3.42Å; M289-S293 VanDerWaalsContact O-CB 3.24Å; M289-S293 WeakPolarHBondContact O-CB 3.28Å; M289-S293 PolarHBondContact O-N 3.32Å; M289-S293 PolarHBondContact O-OG 3.03Å |
| 290 | I | 92.5 | Very high | 91.2 | Very high | 9 Ų | 9 | 49.5 Ų | 49.5 | 5% | 0.046 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.6 | -40.3 | 178 | -67.9 | 170.2 | 0 | 0 | 0 | 111 | L274 V286 K287 E288 L292 G294 F298 F324 L325 Q328 | L274-I290 HydrophobicContact CD1-CD1 4.14Å; L274-I290 HydrophobicContact CD1-CG1 4.1Å; L274-I290 HydrophobicContact CD2-CG1 4.38Å; V286-I290 HydrophobicContact CG1-CD1 3.65Å; V286-I290 WeakPolarHBondContact O-CB 3Å; V286-I290 WeakPolarHBondContact O-CD1 3.43Å; V286-I290 WeakPolarHBondContact O-CG1 3.35Å; V286-I290 PolarHBondContact O-N 3.39Å; V286-I290 VanDerWaalsContact O-N 3.08Å; K287-I290 PolarHBondContact O-N 3.48Å; E288-I290 VanDerWaalsContact C-N 3.3Å; E288-I290 PolarHBondContact O-N 2.87Å; I290-L292 VanDerWaalsContact C-N 3.32Å; I290-L292 PolarHBondContact O-N 3.39Å; I290-G294 WeakPolarHBondContact O-CA 3.23Å; I290-G294 PolarHBondContact O-N 2.94Å; I290-F298 HydrophobicContact CD1-CE2 3.56Å; I290-F298 HydrophobicContact CD1-CZ 3.52Å; I290-F298 HydrophobicContact CG1-CE2 3.78Å; I290-F298 HydrophobicContact CG1-CZ 4.23Å; I290-F298 HydrophobicContact CG2-CE2 4.29Å; I290-F324 HydrophobicContact CD1-CD1 4.43Å; I290-F324 HydrophobicContact CD1-CE1 3.76Å; I290-L325 HydrophobicContact CD1-CD2 3.7Å; I290-Q328 HydrophobicContact CG2-CG 4.36Å |
| 291 | Q | 91.9 | Very high | 91.1 | Very high | 135 Ų | 135 | 49.9 Ų | 49.9 | 63% | 0.631 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -64.3 | -37.2 | 177.3 | -74.4 | 176.1 | -32.3 | 0 | 0 | 112.4 | K287 E288 | K287-Q291 WeakPolarHBondContact O-CB 3.35Å; K287-Q291 VanDerWaalsContact O-CG 3.26Å; K287-Q291 WeakPolarHBondContact O-CG 3.43Å; K287-Q291 PolarHBondContact O-N 3.33Å; E288-Q291 PolarHBondContact O-N 3.3Å |
| 292 | L | 90.9 | Very high | 90.9 | Very high | 70 Ų | 70 | 49.1 Ų | 49.1 | 37% | 0.366 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -91.4 | -31.7 | -175.6 | -64 | 174.4 | 0 | 0 | 0 | 113.9 | L255 E288 I290 | L255-L292 HydrophobicContact CB-CB 4.07Å; L255-L292 HydrophobicContact CB-CD1 3.87Å; L255-L292 HydrophobicContact CD1-CB 4.01Å; L255-L292 HydrophobicContact CD1-CD1 4.22Å; E288-L292 HydrophobicContact CG-CD1 3.87Å; E288-L292 WeakPolarHBondContact O-CG 3.47Å; E288-L292 PolarHBondContact O-N 3.5Å; I290-L292 VanDerWaalsContact C-N 3.32Å; I290-L292 PolarHBondContact O-N 3.39Å |
| 293 | S | 88 | Confident | 90.4 | Very high | 21 Ų | 21 | 49.8 Ų | 49.8 | 15% | 0.147 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -113.3 | -0.7 | -174.6 | -50.9 | 0 | 0 | 0 | 0 | 114.5 | L255 P263 H264 M289 | L255-S293 WeakPolarHBondContact CD1-OG 3.43Å; P263-S293 WeakPolarHBondContact CB-OG 3.2Å; H264-S293 PolarHBondContact CE1-O 3.44Å; H264-S293 PolarHBondContact NE2-O 2.66Å; M289-S293 WeakPolarHBondContact O-CA 3.42Å; M289-S293 VanDerWaalsContact O-CB 3.24Å; M289-S293 WeakPolarHBondContact O-CB 3.28Å; M289-S293 PolarHBondContact O-N 3.32Å; M289-S293 PolarHBondContact O-OG 3.03Å |
| 294 | G | 86.5 | Confident | 89.8 | Confident | 34 Ų | 34 | 48.5 Ų | 48.5 | 35% | 0.351 | 25% | 0.254 | S | S | . | . | trans | 71.4 | -161.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | I290 | I290-G294 WeakPolarHBondContact O-CA 3.23Å; I290-G294 PolarHBondContact O-N 2.94Å | ||
| 295 | T | 83.5 | Confident | 89.5 | Confident | 65 Ų | 65 | 45.3 Ų | 45.3 | 40% | 0.399 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -104.9 | 5.8 | -167.7 | 54.2 | 0 | 0 | 0 | 0 | 114.7 | S297 F298 A330 | T295-S297 PolarHBondContact O-N 2.87Å; T295-S297 VanDerWaalsContact O-N 3.16Å; T295-F298 HydrophobicContact CG2-CD2 4.22Å; T295-F298 HydrophobicContact CG2-CE2 4.07Å; T295-F298 VanDerWaalsContact O-CB 3.27Å; T295-F298 WeakPolarHBondContact O-CB 3.28Å; T295-F298 WeakPolarHBondContact O-CD2 3.47Å; T295-F298 PolarHBondContact O-N 3.29Å; T295-A330 HydrophobicContact CG2-CB 4.02Å |
| 296 | E | 84.1 | Confident | 89.3 | Confident | 141 Ų | 141 | 45.8 Ų | 45.8 | 66% | 0.659 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -57.5 | -35.4 | -176.5 | -61.7 | -169.8 | 168.6 | 0 | 0 | 113.4 | H264 F298 | H264-E296 IonicContact CD2-OE2 3.73Å; H264-E296 PolarHBondContact CD2-OE2 3.14Å; H264-E296 IonicContact NE2-OE2 3.62Å; E296-F298 PolarHBondContact O-N 3.25Å |
| 297 | S | 85.1 | Confident | 89.2 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -67.4 | -15.3 | 177.6 | -82.4 | 0 | 0 | 0 | 0 | 114.1 | H264 T295 L299 K300 P308 | H264-S297 PolarHBondContact ND1-OG 3.16Å; T295-S297 PolarHBondContact O-N 2.87Å; T295-S297 VanDerWaalsContact O-N 3.16Å; S297-L299 VanDerWaalsContact C-N 3.34Å; S297-L299 PolarHBondContact O-N 2.94Å; S297-K300 PolarHBondContact O-N 3.08Å; S297-P308 WeakPolarHBondContact O-CD 3.4Å; S297-P308 WeakPolarHBondContact O-CG 3.28Å |
| 298 | F | 85.7 | Confident | 89.1 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -63.3 | -40.1 | -174.4 | -87.1 | -120 | 0 | 0 | 0 | 112.3 | L274 I290 T295 E296 T307 P308 L325 Q328 A330 M331 | L274-F298 HydrophobicContact CD2-CD2 4.05Å; L274-F298 HydrophobicContact CD2-CE2 4.04Å; I290-F298 HydrophobicContact CD1-CE2 3.56Å; I290-F298 HydrophobicContact CD1-CZ 3.52Å; I290-F298 HydrophobicContact CG1-CE2 3.78Å; I290-F298 HydrophobicContact CG1-CZ 4.23Å; I290-F298 HydrophobicContact CG2-CE2 4.29Å; T295-F298 HydrophobicContact CG2-CD2 4.22Å; T295-F298 HydrophobicContact CG2-CE2 4.07Å; T295-F298 VanDerWaalsContact O-CB 3.27Å; T295-F298 WeakPolarHBondContact O-CB 3.28Å; T295-F298 WeakPolarHBondContact O-CD2 3.47Å; T295-F298 PolarHBondContact O-N 3.29Å; E296-F298 PolarHBondContact O-N 3.25Å; F298-T307 WeakPolarHBondContact O-CB 3.43Å; F298-P308 VanDerWaalsContact O-CD 3.27Å; F298-P308 WeakPolarHBondContact O-CD 3.38Å; F298-L325 HydrophobicContact CE1-CB 4.41Å; F298-L325 HydrophobicContact CE1-CD2 3.87Å; F298-L325 HydrophobicContact CE2-CD2 4.44Å; F298-L325 HydrophobicContact CZ-CD2 3.6Å; F298-Q328 HydrophobicContact CE1-CB 3.99Å; F298-Q328 HydrophobicContact CE1-CG 4.07Å; F298-Q328 HydrophobicContact CZ-CB 4Å; F298-Q328 HydrophobicContact CZ-CG 3.68Å; F298-A330 HydrophobicContact CB-CB 4.41Å; F298-A330 HydrophobicContact CD1-CB 3.78Å; F298-A330 HydrophobicContact CE1-CB 4.26Å; F298-A330 HydrophobicContact CG-CB 4.08Å; F298-M331 HydrophobicContact CB-CE 3.91Å; F298-M331 HydrophobicContact CB-CG 4.01Å; F298-M331 HydrophobicContact CB-SD 4.13Å; F298-M331 HydrophobicContact CD1-CE 3.58Å; F298-M331 HydrophobicContact CD1-CG 4.14Å; F298-M331 HydrophobicContact CE1-CE 4.48Å; F298-M331 HydrophobicContact CG-CE 4.12Å; F298-M331 VanDerWaalsContact O-CE 3.31Å; F298-M331 WeakPolarHBondContact O-CE 3.47Å |
| 299 | L | 87.1 | Confident | 89.1 | Confident | 101 Ų | 101 | 40.2 Ų | 40.2 | 53% | 0.529 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -92.4 | -0.9 | -176.6 | -62.8 | 173 | 0 | 0 | 0 | 113.1 | S297 E301 M331 | S297-L299 VanDerWaalsContact C-N 3.34Å; S297-L299 PolarHBondContact O-N 2.94Å; L299-E301 PolarHBondContact O-N 3.5Å; L299-M331 HydrophobicContact CD2-CG 3.69Å; L299-M331 HydrophobicContact CD2-SD 3.96Å; L299-M331 HydrophobicContact CG-CG 4.47Å |
| 300 | K | 90.1 | Very high | 89.1 | Confident | 79 Ų | 79 | 40 Ų | 40 | 34% | 0.343 | 21% | 0.209 | S | C | . | . | trans | -73.6 | 127.6 | 176.7 | -72.2 | -165.1 | 177.3 | -163.6 | 0 | 109.4 | H264 T272 H275 S297 | H264-K300 PolarHBondContact O-NZ 3.45Å; T272-K300 HydrophobicContact CG2-CB 4.31Å; T272-K300 HydrophobicContact CG2-CD 3.8Å; H275-K300 PolarHBondContact CE1-O 3.39Å; H275-K300 PolarHBondContact NE2-O 3.05Å; H275-K300 VanDerWaalsContact NE2-O 3.07Å; S297-K300 PolarHBondContact O-N 3.08Å | ||
| 301 | E | 90.2 | Very high | 89.1 | Confident | 43 Ų | 43 | 39.6 Ų | 39.6 | 20% | 0.201 | 21% | 0.206 | C | C | . | . | trans | -105 | 135.6 | 176.6 | -64.8 | 174 | -99 | 0 | 0 | 111.2 | L299 S305 E306 T307 G337 R338 | L299-E301 PolarHBondContact O-N 3.5Å; E301-S305 PolarHBondContact OE2-OG 2.67Å; E301-E306 WeakPolarHBondContact CA-O 3.31Å; E301-T307 HydrophobicContact CG-CG2 3.79Å; E301-G337 WeakPolarHBondContact OE2-CA 3.33Å; E301-R338 PolarHBondContact O-NH2 2.93Å; E301-R338 IonicContact OE1-NE 2.69Å; E301-R338 VanDerWaalsContact OE2-CG 3.3Å; E301-R338 WeakPolarHBondContact OE2-CG 3.16Å; E301-R338 PolarHBondContact OE2-N 3.11Å; E301-R338 IonicContact OE2-NE 2.89Å | ||
| 302 | N | 88.3 | Confident | 89.2 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.011 | 18% | 0.177 | C | C | . | . | trans | -81.7 | -177.1 | 173.9 | 73.1 | 12.1 | 0 | 0 | 0 | 111.8 | Y269 D271 Y279 F304 S305 E306 | Y269-N302 VanDerWaalsContact O-CB 3.31Å; Y269-N302 WeakPolarHBondContact O-CB 3.25Å; D271-N302 PolarHBondContact OD1-ND2 3.36Å; Y279-N302 PolarHBondContact OH-ND2 3.46Å; N302-F304 PolarHBondContact O-N 3.48Å; N302-F304 VanDerWaalsContact O-N 3.12Å; N302-F304 WeakPolarHBondContact OD1-CA 3.24Å; N302-F304 VanDerWaalsContact OD1-CB 3.31Å; N302-F304 WeakPolarHBondContact OD1-CB 3.28Å; N302-F304 PolarHBondContact OD1-N 2.98Å; N302-S305 PolarHBondContact O-N 3.4Å; N302-S305 PolarHBondContact OD1-N 3.17Å; N302-E306 PolarHBondContact N-O 2.82Å; N302-E306 PolarHBondContact OD1-N 2.69Å; N302-E306 PolarHBondContact OD1-O 3.22Å | ||
| 303 | I | 86.9 | Confident | 89.3 | Confident | 84 Ų | 84 | 30 Ų | 30 | 43% | 0.431 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -13.6 | -179.7 | 67.3 | 172.2 | 0 | 0 | 0 | 113.8 | Y269 S305 | Y269-I303 HydrophobicContact CD1-CD1 3.95Å; Y269-I303 WeakPolarHBondContact O-CG1 3.44Å; Y269-I303 WeakPolarHBondContact O-CG2 3.37Å; Y269-I303 PolarHBondContact O-N 3.48Å; I303-S305 VanDerWaalsContact C-N 3.3Å |
| 304 | F | 84.7 | Confident | 89.4 | Confident | 36 Ų | 36 | 29 Ų | 29 | 16% | 0.158 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | 9.1 | 176.9 | -51.1 | -72.6 | 0 | 0 | 0 | 112.2 | R7 Y269 N302 E306 | R7-F304 HydrophobicContact CG-CE2 4.34Å; Y269-F304 HydrophobicContact CD1-CE2 4.49Å; Y269-F304 HydrophobicContact CD1-CZ 4.42Å; N302-F304 PolarHBondContact O-N 3.48Å; N302-F304 VanDerWaalsContact O-N 3.12Å; N302-F304 WeakPolarHBondContact OD1-CA 3.24Å; N302-F304 VanDerWaalsContact OD1-CB 3.31Å; N302-F304 WeakPolarHBondContact OD1-CB 3.28Å; N302-F304 PolarHBondContact OD1-N 2.98Å; F304-E306 HydrophobicContact CB-CG 4.14Å; F304-E306 PolarHBondContact O-N 2.77Å |
| 305 | S | 89.3 | Confident | 89.2 | Confident | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 62.9 | 21.1 | -175.1 | -166.4 | 0 | 0 | 0 | 0 | 113.1 | E301 N302 I303 G337 R338 D339 H341 | E301-S305 PolarHBondContact OE2-OG 2.67Å; N302-S305 PolarHBondContact O-N 3.4Å; N302-S305 PolarHBondContact OD1-N 3.17Å; I303-S305 VanDerWaalsContact C-N 3.3Å; S305-G337 VanDerWaalsContact OG-C 3.3Å; S305-G337 WeakPolarHBondContact OG-CA 3.2Å; S305-R338 WeakPolarHBondContact OG-CA 3.43Å; S305-R338 PolarHBondContact OG-N 3.06Å; S305-D339 PolarHBondContact OG-N 3.4Å; S305-D339 VanDerWaalsContact OG-N 3.09Å; S305-D339 PolarHBondContact OG-OD1 2.92Å; S305-H341 PolarHBondContact O-CE1 3.37Å; S305-H341 VanDerWaalsContact O-CE1 3.25Å |
| 306 | E | 91.1 | Very high | 89.3 | Confident | 11 Ų | 11 | 28.7 Ų | 28.7 | 5% | 0.051 | 14% | 0.142 | C | C | . | . | trans | -99.1 | 133.8 | -179.1 | -66.8 | -172.5 | 167.3 | 0 | 0 | 110.3 | H275 Y279 E301 N302 F304 H310 T314 | H275-E306 PolarHBondContact NE2-O 3.44Å; H275-E306 VanDerWaalsContact NE2-O 3.16Å; Y279-E306 WeakPolarHBondContact CE1-OE2 3.22Å; Y279-E306 PolarHBondContact OH-OE2 2.9Å; E301-E306 WeakPolarHBondContact CA-O 3.31Å; N302-E306 PolarHBondContact N-O 2.82Å; N302-E306 PolarHBondContact OD1-N 2.69Å; N302-E306 PolarHBondContact OD1-O 3.22Å; F304-E306 HydrophobicContact CB-CG 4.14Å; F304-E306 PolarHBondContact O-N 2.77Å; E306-H310 HydrophobicContact CB-CB 3.7Å; E306-H310 HydrophobicContact CG-CB 3.91Å; E306-T314 PolarHBondContact OE1-OG1 3.24Å; E306-T314 PolarHBondContact OE2-OG1 2.68Å | ||
| 307 | T | 93.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -88.9 | 175.6 | 163.9 | 71.9 | 0 | 0 | 0 | 0 | 110.5 | F298 E301 L309 H310 S311 M331 | F298-T307 WeakPolarHBondContact O-CB 3.43Å; E301-T307 HydrophobicContact CG-CG2 3.79Å; T307-L309 PolarHBondContact O-N 3.01Å; T307-L309 PolarHBondContact OG1-N 3.35Å; T307-H310 PolarHBondContact N-ND1 3.16Å; T307-H310 VanDerWaalsContact N-ND1 3.18Å; T307-H310 WeakPolarHBondContact O-CB 3.21Å; T307-H310 PolarHBondContact O-N 3.01Å; T307-H310 VanDerWaalsContact O-N 3.14Å; T307-H310 PolarHBondContact OG1-ND1 3.08Å; T307-S311 WeakPolarHBondContact O-CB 3.5Å; T307-S311 PolarHBondContact O-N 3.41Å; T307-S311 PolarHBondContact O-OG 3.43Å; T307-M331 HydrophobicContact CG2-SD 4.42Å | ||
| 308 | P | 93.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.7 | -32.8 | 174.2 | -27.5 | 37.5 | 0 | 0 | 0 | 114.2 | L274 C278 S297 F298 S311 A312 | L274-P308 HydrophobicContact CB-CG 4.44Å; L274-P308 HydrophobicContact CD2-CB 4.05Å; L274-P308 HydrophobicContact CD2-CG 3.88Å; L274-P308 HydrophobicContact CG-CB 3.96Å; L274-P308 HydrophobicContact CG-CG 4.04Å; C278-P308 WeakPolarHBondContact CB-O 3.29Å; S297-P308 WeakPolarHBondContact O-CD 3.4Å; S297-P308 WeakPolarHBondContact O-CG 3.28Å; F298-P308 VanDerWaalsContact O-CD 3.27Å; F298-P308 WeakPolarHBondContact O-CD 3.38Å; P308-S311 WeakPolarHBondContact O-CB 3.25Å; P308-S311 PolarHBondContact O-N 3.38Å; P308-A312 PolarHBondContact O-N 3.4Å |
| 309 | L | 94.6 | Very high | 90.1 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.7 | -44.2 | 175.3 | 179 | 66.1 | 0 | 0 | 0 | 111.6 | T307 S311 A312 C313 V322 L325 L326 M331 A343 | T307-L309 PolarHBondContact O-N 3.01Å; T307-L309 PolarHBondContact OG1-N 3.35Å; L309-S311 VanDerWaalsContact C-N 3.33Å; L309-A312 PolarHBondContact O-N 3.05Å; L309-C313 PolarHBondContact O-N 3.16Å; L309-C313 PolarHBondContact O-SG 3.04Å; L309-C313 VanDerWaalsContact O-SG 3.33Å; L309-V322 HydrophobicContact CD1-CG1 4.08Å; L309-L325 HydrophobicContact CD1-CB 4.37Å; L309-L326 HydrophobicContact CD1-CD2 4.01Å; L309-L326 HydrophobicContact CD1-CG 4.09Å; L309-L326 HydrophobicContact CD2-CD2 3.72Å; L309-M331 HydrophobicContact CB-CE 3.5Å; L309-M331 VanDerWaalsContact CB-CE 3.5Å; L309-M331 HydrophobicContact CD2-CE 4.47Å; L309-A343 HydrophobicContact CD2-CB 4.16Å; L309-A343 HydrophobicContact CG-CB 3.98Å |
| 310 | H | 93.4 | Very high | 90.5 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.4 | -48.1 | 172.3 | -64.3 | 100.4 | 0 | 0 | 0 | 110.5 | E306 T307 A312 C313 T314 H335 H341 T342 A343 | E306-H310 HydrophobicContact CB-CB 3.7Å; E306-H310 HydrophobicContact CG-CB 3.91Å; T307-H310 PolarHBondContact N-ND1 3.16Å; T307-H310 VanDerWaalsContact N-ND1 3.18Å; T307-H310 WeakPolarHBondContact O-CB 3.21Å; T307-H310 PolarHBondContact O-N 3.01Å; T307-H310 VanDerWaalsContact O-N 3.14Å; T307-H310 PolarHBondContact OG1-ND1 3.08Å; H310-A312 VanDerWaalsContact C-N 3.31Å; H310-A312 PolarHBondContact O-N 3.07Å; H310-C313 CarbonylContact O-C 3.6Å; H310-C313 WeakPolarHBondContact O-CA 3.23Å; H310-C313 WeakPolarHBondContact O-CB 3.5Å; H310-C313 PolarHBondContact O-N 2.75Å; H310-T314 PolarHBondContact O-N 2.79Å; H310-T314 PolarHBondContact O-OG1 3.44Å; H310-T314 VanDerWaalsContact O-OG1 3.08Å; H310-H335 PolarHBondContact NE2-O 2.95Å; H310-H341 AromaticContact CD2-CD2 3.5Å; H310-H341 AromaticContact CD2-NE2 3.4Å; H310-H341 PolarHBondContact CD2-NE2 2.88Å; H310-H341 AromaticContact CG-NE2 3.88Å; H310-H341 PolarHBondContact NE2-O 3.3Å; H310-T342 VanDerWaalsContact NE2-C 3.32Å; H310-T342 WeakPolarHBondContact NE2-CA 3.45Å; H310-A343 PolarHBondContact CD2-N 3.05Å; H310-A343 VanDerWaalsContact CD2-N 3.32Å; H310-A343 PolarHBondContact NE2-N 2.61Å |
| 311 | S | 92.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.5 | -39.7 | 179.5 | -58.4 | 0 | 0 | 0 | 0 | 113 | H275 Y279 T307 P308 L309 C313 T314 | H275-S311 PolarHBondContact CD2-OG 3.48Å; Y279-S311 WeakPolarHBondContact CD1-O 3.49Å; Y279-S311 WeakPolarHBondContact CE2-OG 3.44Å; T307-S311 WeakPolarHBondContact O-CB 3.5Å; T307-S311 PolarHBondContact O-N 3.41Å; T307-S311 PolarHBondContact O-OG 3.43Å; P308-S311 WeakPolarHBondContact O-CB 3.25Å; P308-S311 PolarHBondContact O-N 3.38Å; L309-S311 VanDerWaalsContact C-N 3.33Å; S311-C313 VanDerWaalsContact C-N 3.3Å; S311-C313 PolarHBondContact O-N 2.85Å; S311-T314 PolarHBondContact O-N 2.78Å |
| 312 | A | 93.4 | Very high | 91 | Very high | 3 Ų | 3 | 26.1 Ų | 26.1 | 3% | 0.025 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.2 | -34.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | C278 P308 L309 H310 G316 M321 V322 L325 | C278-A312 HydrophobicContact CB-CB 4.02Å; P308-A312 PolarHBondContact O-N 3.4Å; L309-A312 PolarHBondContact O-N 3.05Å; H310-A312 VanDerWaalsContact C-N 3.31Å; H310-A312 PolarHBondContact O-N 3.07Å; A312-G316 PolarHBondContact O-N 3.38Å; A312-M321 HydrophobicContact CB-SD 4.24Å; A312-V322 HydrophobicContact CB-CG2 3.81Å; A312-L325 HydrophobicContact CB-CD1 3.98Å |
| 313 | C | 93.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -82 | -23.9 | 178.9 | -63.2 | 0 | 0 | 0 | 0 | 113.6 | L309 H310 S311 A343 A347 H352 | L309-C313 PolarHBondContact O-N 3.16Å; L309-C313 PolarHBondContact O-SG 3.04Å; L309-C313 VanDerWaalsContact O-SG 3.33Å; H310-C313 CarbonylContact O-C 3.6Å; H310-C313 WeakPolarHBondContact O-CA 3.23Å; H310-C313 WeakPolarHBondContact O-CB 3.5Å; H310-C313 PolarHBondContact O-N 2.75Å; S311-C313 VanDerWaalsContact C-N 3.3Å; S311-C313 PolarHBondContact O-N 2.85Å; C313-A343 HydrophobicContact CB-CB 4.43Å; C313-A347 HydrophobicContact CB-CB 4.43Å; C313-H352 PolarHBondContact O-CD2 2.94Å |
| 314 | T | 89.8 | Confident | 91.6 | Very high | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.012 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.1 | -49.2 | -179.8 | -67.1 | 0 | 0 | 0 | 0 | 112.4 | Y279 E306 H310 S311 H350 H352 | Y279-T314 HydrophobicContact CD1-CG2 4.36Å; Y279-T314 HydrophobicContact CE1-CG2 4.02Å; E306-T314 PolarHBondContact OE1-OG1 3.24Å; E306-T314 PolarHBondContact OE2-OG1 2.68Å; H310-T314 PolarHBondContact O-N 2.79Å; H310-T314 PolarHBondContact O-OG1 3.44Å; H310-T314 VanDerWaalsContact O-OG1 3.08Å; S311-T314 PolarHBondContact O-N 2.78Å; T314-H350 WeakPolarHBondContact O-CB 3.18Å; T314-H350 PolarHBondContact O-CD2 3.27Å; T314-H352 PolarHBondContact O-NE2 3.44Å |
| 315 | Y | 83.7 | Confident | 92 | Very high | 70 Ų | 70 | 26.2 Ų | 26.2 | 28% | 0.275 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -100.4 | -12.4 | 176.1 | -65.2 | -60 | 0 | 0 | 0 | 114.4 | R7 Y279 K317 H352 | R7-Y315 PolarHBondContact O-OH 3.4Å; Y279-Y315 AromaticContact CD1-CD2 3.68Å; Y279-Y315 HydrophobicContact CD1-CD2 3.68Å; Y279-Y315 AromaticContact CD1-CE2 3.66Å; Y279-Y315 HydrophobicContact CD1-CE2 3.66Å; Y279-Y315 HydrophobicContact CE1-CE2 4.39Å; Y279-Y315 HydrophobicContact CG-CD2 4.27Å; Y279-Y315 HydrophobicContact CG-CE2 4.22Å; Y279-Y315 VanDerWaalsContact O-CD2 3.3Å; Y279-Y315 WeakPolarHBondContact O-CD2 3.3Å; Y315-K317 PolarHBondContact O-N 3.41Å; Y315-K317 VanDerWaalsContact O-N 3.14Å; Y315-H352 VanDerWaalsContact C-CE1 3.42Å; Y315-H352 PolarHBondContact O-CE1 3.41Å; Y315-H352 PolarHBondContact O-NE2 3.23Å |
| 316 | G | 84.3 | Confident | 92.1 | Very high | 22 Ų | 22 | 27.5 Ų | 27.5 | 23% | 0.227 | 13% | 0.133 | C | C | . | . | trans | 56.9 | 31.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | A312 H352 | A312-G316 PolarHBondContact O-N 3.38Å; G316-H352 PolarHBondContact N-NE2 2.88Å | ||
| 317 | K | 87.2 | Confident | 92.1 | Very high | 120 Ų | 120 | 29.4 Ų | 29.4 | 52% | 0.522 | 16% | 0.155 | S | C | . | . | trans | -72.6 | -30.1 | -171 | -69.4 | -177.1 | 179 | 174.6 | 0 | 114.1 | Y279 N280 Y315 | Y279-K317 WeakPolarHBondContact O-CD 3.33Å; N280-K317 PolarHBondContact OD1-NZ 3.26Å; Y315-K317 PolarHBondContact O-N 3.41Å; Y315-K317 VanDerWaalsContact O-N 3.14Å | ||
| 318 | D | 92.1 | Very high | 91.9 | Very high | 41 Ų | 41 | 32.6 Ų | 32.6 | 22% | 0.219 | 17% | 0.17 | C | C | . | . | trans | -144.1 | 112.5 | -174.6 | -168.6 | -30.3 | 0 | 0 | 0 | 111.2 | F283 E320 M321 | F283-D318 WeakPolarHBondContact CB-OD2 2.86Å; D318-E320 WeakPolarHBondContact OD1-CA 3.38Å; D318-E320 PolarHBondContact OD1-N 2.91Å; D318-M321 HydrophobicContact CB-CB 3.91Å; D318-M321 HydrophobicContact CB-CE 4.3Å; D318-M321 PolarHBondContact OD1-N 2.89Å | ||
| 319 | L | 93.4 | Very high | 91.2 | Very high | 54 Ų | 54 | 39.7 Ų | 39.7 | 28% | 0.283 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -73.5 | -34.6 | 178.4 | 176.4 | 65 | 0 | 0 | 0 | 112.6 | M321 V322 K323 L355 F358 | L319-M321 VanDerWaalsContact C-N 3.29Å; L319-M321 PolarHBondContact O-N 2.97Å; L319-V322 PolarHBondContact O-N 3.3Å; L319-K323 PolarHBondContact O-N 2.81Å; L319-L355 HydrophobicContact CD1-CD2 3.42Å; L319-L355 VanDerWaalsContact CD1-CD2 3.42Å; L319-L355 HydrophobicContact CD1-CG 4.26Å; L319-F358 HydrophobicContact CD1-CB 3.83Å; L319-F358 HydrophobicContact CD1-CD1 3.73Å; L319-F358 HydrophobicContact CD1-CD2 4.21Å; L319-F358 HydrophobicContact CD1-CE1 4.4Å; L319-F358 HydrophobicContact CD1-CG 3.63Å |
| 320 | E | 95 | Very high | 90.6 | Very high | 97 Ų | 97 | 41.2 Ų | 41.2 | 45% | 0.453 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -69.1 | -33.3 | -179.6 | -63.7 | -53.8 | 130.6 | 0 | 0 | 110.9 | D318 K323 F324 | D318-E320 WeakPolarHBondContact OD1-CA 3.38Å; D318-E320 PolarHBondContact OD1-N 2.91Å; E320-K323 WeakPolarHBondContact O-CB 3.1Å; E320-K323 PolarHBondContact O-N 2.87Å; E320-K323 IonicContact OE1-NZ 3.26Å; E320-K323 PolarHBondContact OE1-NZ 2.57Å; E320-K323 WeakPolarHBondContact OE2-CD 3.07Å; E320-K323 IonicContact OE2-NZ 2.72Å; E320-F324 WeakPolarHBondContact O-CB 3.08Å; E320-F324 PolarHBondContact O-N 3.22Å |
| 321 | M | 95.1 | Very high | 90.1 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.3 | -46.5 | 168.6 | -180 | -169.7 | -63 | 0 | 0 | 112.3 | C278 F283 V286 A312 D318 L319 K323 F324 L325 | C278-M321 HydrophobicContact CB-SD 4.29Å; F283-M321 HydrophobicContact CB-CB 4.36Å; F283-M321 HydrophobicContact CB-CE 4.04Å; F283-M321 HydrophobicContact CD2-CB 3.87Å; F283-M321 HydrophobicContact CD2-CG 4.2Å; F283-M321 HydrophobicContact CG-CB 4.34Å; F283-M321 VanDerWaalsContact N-CE 3.35Å; V286-M321 HydrophobicContact CG1-CG 4.29Å; V286-M321 HydrophobicContact CG2-CE 3.82Å; V286-M321 HydrophobicContact CG2-CG 4.39Å; V286-M321 HydrophobicContact CG2-SD 3.97Å; A312-M321 HydrophobicContact CB-SD 4.24Å; D318-M321 HydrophobicContact CB-CB 3.91Å; D318-M321 HydrophobicContact CB-CE 4.3Å; D318-M321 PolarHBondContact OD1-N 2.89Å; L319-M321 VanDerWaalsContact C-N 3.29Å; L319-M321 PolarHBondContact O-N 2.97Å; M321-K323 VanDerWaalsContact C-N 3.33Å; M321-K323 PolarHBondContact O-N 3.19Å; M321-F324 PolarHBondContact O-N 3.49Å; M321-L325 HydrophobicContact CG-CD1 4.11Å; M321-L325 HydrophobicContact CG-CG 4.4Å; M321-L325 WeakPolarHBondContact O-CG 3.26Å; M321-L325 PolarHBondContact O-N 3.24Å |
| 322 | V | 95.2 | Very high | 90 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63 | -42.1 | 179.2 | 177.6 | 0 | 0 | 0 | 0 | 110.6 | L309 A312 L319 F324 L325 L326 L355 F358 L359 | L309-V322 HydrophobicContact CD1-CG1 4.08Å; A312-V322 HydrophobicContact CB-CG2 3.81Å; L319-V322 PolarHBondContact O-N 3.3Å; V322-F324 PolarHBondContact O-N 2.77Å; V322-L325 PolarHBondContact O-N 3.23Å; V322-L326 HydrophobicContact CG1-CD1 4.22Å; V322-L326 WeakPolarHBondContact O-CG 3.34Å; V322-L326 PolarHBondContact O-N 3.48Å; V322-L355 HydrophobicContact CB-CD2 4.09Å; V322-L355 HydrophobicContact CG1-CD2 4.22Å; V322-L355 HydrophobicContact CG2-CD2 3.82Å; V322-F358 HydrophobicContact CG1-CD1 4.44Å; V322-F358 HydrophobicContact CG1-CE1 4.01Å; V322-L359 HydrophobicContact CG1-CD2 4.39Å |
| 323 | K | 94.6 | Very high | 89.9 | Confident | 78 Ų | 78 | 46.2 Ų | 46.2 | 34% | 0.339 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -57.1 | -47.8 | 172.2 | -73.3 | 170.8 | -179.9 | 176.7 | 0 | 111.9 | L319 E320 M321 L326 G327 F358 | L319-K323 PolarHBondContact O-N 2.81Å; E320-K323 WeakPolarHBondContact O-CB 3.1Å; E320-K323 PolarHBondContact O-N 2.87Å; E320-K323 IonicContact OE1-NZ 3.26Å; E320-K323 PolarHBondContact OE1-NZ 2.57Å; E320-K323 WeakPolarHBondContact OE2-CD 3.07Å; E320-K323 IonicContact OE2-NZ 2.72Å; M321-K323 VanDerWaalsContact C-N 3.33Å; M321-K323 PolarHBondContact O-N 3.19Å; K323-L326 PolarHBondContact O-N 3.27Å; K323-G327 PolarHBondContact O-N 2.95Å; K323-F358 HydrophobicContact CB-CZ 4.26Å; K323-F358 HydrophobicContact CD-CE2 4.15Å; K323-F358 HydrophobicContact CD-CZ 4.47Å; K323-F358 HydrophobicContact CG-CD2 4.35Å; K323-F358 HydrophobicContact CG-CE1 4.13Å; K323-F358 HydrophobicContact CG-CE2 3.44Å; K323-F358 VanDerWaalsContact CG-CE2 3.44Å; K323-F358 HydrophobicContact CG-CZ 3.33Å |
| 324 | F | 94.4 | Very high | 89.9 | Confident | 41 Ų | 41 | 48.2 Ų | 48.2 | 18% | 0.18 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63 | -43.2 | 179.9 | 174.8 | -98.8 | 0 | 0 | 0 | 112.5 | F283 V286 K287 I290 E320 M321 V322 G327 Q328 | F283-F324 HydrophobicContact CE2-CB 3.48Å; F283-F324 VanDerWaalsContact CE2-CB 3.48Å; F283-F324 AromaticContact CE2-CD1 3.85Å; F283-F324 HydrophobicContact CE2-CD1 3.85Å; F283-F324 HydrophobicContact CE2-CD2 4.24Å; F283-F324 AromaticContact CE2-CG 3.59Å; F283-F324 HydrophobicContact CE2-CG 3.59Å; F283-F324 HydrophobicContact CZ-CB 3.9Å; F283-F324 HydrophobicContact CZ-CD2 4.36Å; F283-F324 HydrophobicContact CZ-CG 4.09Å; V286-F324 HydrophobicContact CG1-CD1 4.38Å; V286-F324 HydrophobicContact CG1-CE1 4.46Å; K287-F324 HydrophobicContact CB-CE1 4.31Å; K287-F324 HydrophobicContact CB-CZ 4.23Å; K287-F324 HydrophobicContact CG-CE1 4.44Å; K287-F324 HydrophobicContact CG-CE2 4.17Å; K287-F324 HydrophobicContact CG-CZ 3.86Å; I290-F324 HydrophobicContact CD1-CD1 4.43Å; I290-F324 HydrophobicContact CD1-CE1 3.76Å; E320-F324 WeakPolarHBondContact O-CB 3.08Å; E320-F324 PolarHBondContact O-N 3.22Å; M321-F324 PolarHBondContact O-N 3.49Å; V322-F324 PolarHBondContact O-N 2.77Å; F324-G327 PolarHBondContact O-N 3.28Å; F324-Q328 HydrophobicContact CE1-CG 4.47Å; F324-Q328 VanDerWaalsContact CE2-NE2 3.26Å; F324-Q328 VanDerWaalsContact CZ-NE2 3.35Å; F324-Q328 WeakPolarHBondContact O-CG 3.36Å; F324-Q328 PolarHBondContact O-N 3.43Å; F324-Q328 PolarHBondContact O-NE2 2.81Å |
| 325 | L | 92.8 | Very high | 90.1 | Very high | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 177.4 | -72.1 | 172.5 | 0 | 0 | 0 | 111.4 | V286 I290 F298 L309 A312 M321 V322 G327 Q328 | V286-L325 HydrophobicContact CG1-CD2 3.93Å; V286-L325 HydrophobicContact CG1-CG 4.49Å; I290-L325 HydrophobicContact CD1-CD2 3.7Å; F298-L325 HydrophobicContact CE1-CB 4.41Å; F298-L325 HydrophobicContact CE1-CD2 3.87Å; F298-L325 HydrophobicContact CE2-CD2 4.44Å; F298-L325 HydrophobicContact CZ-CD2 3.6Å; L309-L325 HydrophobicContact CD1-CB 4.37Å; A312-L325 HydrophobicContact CB-CD1 3.98Å; M321-L325 HydrophobicContact CG-CD1 4.11Å; M321-L325 HydrophobicContact CG-CG 4.4Å; M321-L325 WeakPolarHBondContact O-CG 3.26Å; M321-L325 PolarHBondContact O-N 3.24Å; V322-L325 PolarHBondContact O-N 3.23Å; L325-G327 VanDerWaalsContact C-N 3.31Å; L325-G327 PolarHBondContact O-N 3.06Å; L325-Q328 PolarHBondContact O-N 2.97Å |
| 326 | L | 91.8 | Very high | 90.5 | Very high | 31 Ų | 31 | 50.9 Ų | 50.9 | 16% | 0.162 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65 | -35.8 | 175.8 | -69.8 | 172.9 | 0 | 0 | 0 | 112.1 | L309 V322 K323 Q328 N329 I333 F358 L359 | L309-L326 HydrophobicContact CD1-CD2 4.01Å; L309-L326 HydrophobicContact CD1-CG 4.09Å; L309-L326 HydrophobicContact CD2-CD2 3.72Å; V322-L326 HydrophobicContact CG1-CD1 4.22Å; V322-L326 WeakPolarHBondContact O-CG 3.34Å; V322-L326 PolarHBondContact O-N 3.48Å; K323-L326 PolarHBondContact O-N 3.27Å; L326-Q328 PolarHBondContact O-N 3.3Å; L326-N329 PolarHBondContact O-N 3.5Å; L326-I333 HydrophobicContact CD1-CD1 4.06Å; L326-I333 HydrophobicContact CD1-CG1 4.22Å; L326-I333 HydrophobicContact CD2-CB 4.01Å; L326-I333 HydrophobicContact CD2-CG1 4.1Å; L326-F358 HydrophobicContact CD1-CE1 3.79Å; L326-F358 HydrophobicContact CD1-CZ 4.19Å; L326-L359 HydrophobicContact CD1-CD2 4.27Å |
| 327 | G | 90.6 | Very high | 90.6 | Very high | 51 Ų | 51 | 50.2 Ų | 50.2 | 53% | 0.526 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -8.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | K323 F324 L325 N329 | K323-G327 PolarHBondContact O-N 2.95Å; F324-G327 PolarHBondContact O-N 3.28Å; L325-G327 VanDerWaalsContact C-N 3.31Å; L325-G327 PolarHBondContact O-N 3.06Å; G327-N329 PolarHBondContact O-N 3.31Å |
| 328 | Q | 89 | Confident | 90.6 | Very high | 66 Ų | 66 | 53.1 Ų | 53.1 | 31% | 0.308 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -7.9 | 172.8 | -59.7 | -46.3 | -70.2 | 0 | 0 | 112.9 | I290 F298 F324 L325 L326 A330 | I290-Q328 HydrophobicContact CG2-CG 4.36Å; F298-Q328 HydrophobicContact CE1-CB 3.99Å; F298-Q328 HydrophobicContact CE1-CG 4.07Å; F298-Q328 HydrophobicContact CZ-CB 4Å; F298-Q328 HydrophobicContact CZ-CG 3.68Å; F324-Q328 HydrophobicContact CE1-CG 4.47Å; F324-Q328 VanDerWaalsContact CE2-NE2 3.26Å; F324-Q328 VanDerWaalsContact CZ-NE2 3.35Å; F324-Q328 WeakPolarHBondContact O-CG 3.36Å; F324-Q328 PolarHBondContact O-N 3.43Å; F324-Q328 PolarHBondContact O-NE2 2.81Å; L325-Q328 PolarHBondContact O-N 2.97Å; L326-Q328 PolarHBondContact O-N 3.3Å; Q328-A330 HydrophobicContact CB-CB 4.4Å; Q328-A330 PolarHBondContact O-N 3.45Å |
| 329 | N | 79.9 | Confident | 90.2 | Very high | 149 Ų | 149 | 51.8 Ų | 51.8 | 80% | 0.797 | 27% | 0.271 | S | S | * | . | S | Bend | trans | 52.4 | 18.7 | -176.4 | -69 | 20.2 | 0 | 0 | 0 | 114.6 | L326 G327 | L326-N329 PolarHBondContact O-N 3.5Å; G327-N329 PolarHBondContact O-N 3.31Å |
| 330 | A | 81.4 | Confident | 89.9 | Confident | 34 Ų | 34 | 49.9 Ų | 49.9 | 28% | 0.281 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -87.4 | -19.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T295 F298 Q328 | T295-A330 HydrophobicContact CG2-CB 4.02Å; F298-A330 HydrophobicContact CB-CB 4.41Å; F298-A330 HydrophobicContact CD1-CB 3.78Å; F298-A330 HydrophobicContact CE1-CB 4.26Å; F298-A330 HydrophobicContact CG-CB 4.08Å; Q328-A330 HydrophobicContact CB-CB 4.4Å; Q328-A330 PolarHBondContact O-N 3.45Å |
| 331 | M | 82.9 | Confident | 89.7 | Confident | 20 Ų | 20 | 45.5 Ų | 45.5 | 10% | 0.099 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -140.8 | 144 | 179.7 | -72.5 | -161.2 | -72.7 | 0 | 0 | 111.8 | F298 L299 T307 L309 | F298-M331 HydrophobicContact CB-CE 3.91Å; F298-M331 HydrophobicContact CB-CG 4.01Å; F298-M331 HydrophobicContact CB-SD 4.13Å; F298-M331 HydrophobicContact CD1-CE 3.58Å; F298-M331 HydrophobicContact CD1-CG 4.14Å; F298-M331 HydrophobicContact CE1-CE 4.48Å; F298-M331 HydrophobicContact CG-CE 4.12Å; F298-M331 VanDerWaalsContact O-CE 3.31Å; F298-M331 WeakPolarHBondContact O-CE 3.47Å; L299-M331 HydrophobicContact CD2-CG 3.69Å; L299-M331 HydrophobicContact CD2-SD 3.96Å; L299-M331 HydrophobicContact CG-CG 4.47Å; T307-M331 HydrophobicContact CG2-SD 4.42Å; L309-M331 HydrophobicContact CB-CE 3.5Å; L309-M331 VanDerWaalsContact CB-CE 3.5Å; L309-M331 HydrophobicContact CD2-CE 4.47Å |
| 332 | S | 89.4 | Confident | 89.6 | Confident | 69 Ų | 69 | 45.4 Ų | 45.4 | 48% | 0.483 | 24% | 0.244 | S | C | . | . | trans | -69 | 142.2 | 168.2 | 178.2 | 0 | 0 | 0 | 0 | 110.4 | N334 H335 | S332-N334 PolarHBondContact O-N 2.93Å; S332-N334 VanDerWaalsContact O-N 3.12Å; S332-N334 PolarHBondContact OG-N 3.23Å; S332-N334 VanDerWaalsContact OG-N 3.16Å; S332-H335 VanDerWaalsContact O-CB 3.25Å; S332-H335 WeakPolarHBondContact O-CB 3.24Å; S332-H335 PolarHBondContact O-N 3.37Å | ||
| 333 | I | 91.9 | Very high | 89.6 | Confident | 21 Ų | 21 | 45.5 Ų | 45.5 | 11% | 0.108 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -23.6 | 170 | -164.5 | 169.6 | 0 | 0 | 0 | 112.4 | L326 L359 N362 A364 | L326-I333 HydrophobicContact CD1-CD1 4.06Å; L326-I333 HydrophobicContact CD1-CG1 4.22Å; L326-I333 HydrophobicContact CD2-CB 4.01Å; L326-I333 HydrophobicContact CD2-CG1 4.1Å; I333-L359 HydrophobicContact CD1-CB 4.47Å; I333-L359 HydrophobicContact CD1-CD2 3.91Å; I333-L359 VanDerWaalsContact CD1-O 3.3Å; I333-L359 WeakPolarHBondContact CD1-O 3.32Å; I333-L359 HydrophobicContact CG1-CD2 3.91Å; I333-N362 HydrophobicContact CD1-CB 3.74Å; I333-N362 WeakPolarHBondContact CD1-O 3.25Å; I333-A364 HydrophobicContact CD1-CB 4.11Å; I333-A364 HydrophobicContact CG1-CB 4.17Å |
| 334 | N | 93.9 | Very high | 89.6 | Confident | 42 Ų | 42 | 41.8 Ų | 41.8 | 23% | 0.225 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 15.9 | 179.2 | -68.5 | -37.1 | 0 | 0 | 0 | 113.2 | S332 Q336 G363 A364 D365 L368 | S332-N334 PolarHBondContact O-N 2.93Å; S332-N334 VanDerWaalsContact O-N 3.12Å; S332-N334 PolarHBondContact OG-N 3.23Å; S332-N334 VanDerWaalsContact OG-N 3.16Å; N334-Q336 PolarHBondContact O-N 3.48Å; N334-G363 PolarHBondContact ND2-O 3.38Å; N334-G363 VanDerWaalsContact ND2-O 3.13Å; N334-A364 VanDerWaalsContact OD1-CA 3.27Å; N334-A364 WeakPolarHBondContact OD1-CA 3.49Å; N334-D365 PolarHBondContact OD1-N 3.23Å; N334-L368 HydrophobicContact CB-CD1 3.8Å |
| 335 | H | 93.3 | Very high | 89.5 | Confident | 49 Ų | 49 | 39.9 Ų | 39.9 | 23% | 0.227 | 22% | 0.22 | C | C | . | . | trans | -59.1 | 128.4 | 175.7 | -175 | 76.5 | 0 | 0 | 0 | 110.1 | H310 S332 | H310-H335 PolarHBondContact NE2-O 2.95Å; S332-H335 VanDerWaalsContact O-CB 3.25Å; S332-H335 WeakPolarHBondContact O-CB 3.24Å; S332-H335 PolarHBondContact O-N 3.37Å | ||
| 336 | Q | 91.3 | Very high | 89.4 | Confident | 78 Ų | 78 | 39.9 Ų | 39.9 | 36% | 0.364 | 22% | 0.22 | S | C | . | . | trans | -103.6 | 131.3 | 178.2 | -69.1 | -178.4 | -75.1 | 0 | 0 | 109.3 | N334 G340 H341 T342 L368 V369 | N334-Q336 PolarHBondContact O-N 3.48Å; Q336-G340 WeakPolarHBondContact CG-O 3.46Å; Q336-G340 PolarHBondContact NE2-O 2.92Å; Q336-H341 WeakPolarHBondContact CA-O 3.47Å; Q336-T342 HydrophobicContact CG-CG2 3.66Å; Q336-L368 HydrophobicContact CG-CD1 4.46Å; Q336-V369 PolarHBondContact NE2-O 3.38Å; Q336-V369 VanDerWaalsContact NE2-O 3.07Å | ||
| 337 | G | 87.5 | Confident | 89.5 | Confident | 8 Ų | 8 | 38.4 Ų | 38.4 | 8% | 0.082 | 21% | 0.212 | C | C | . | . | trans | -68.3 | -179.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E301 S305 D339 G340 H341 | E301-G337 WeakPolarHBondContact OE2-CA 3.33Å; S305-G337 VanDerWaalsContact OG-C 3.3Å; S305-G337 WeakPolarHBondContact OG-CA 3.2Å; G337-D339 PolarHBondContact O-N 3.13Å; G337-G340 WeakPolarHBondContact O-CA 3.11Å; G337-G340 PolarHBondContact O-N 3.13Å; G337-H341 PolarHBondContact N-O 3.27Å | ||
| 338 | R | 86.6 | Confident | 89.5 | Confident | 181 Ų | 181 | 36 Ų | 36 | 68% | 0.683 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | -34.2 | 173.7 | -72.4 | 169 | -151.9 | 169.4 | 9.5 | 114.9 | E301 S305 G340 | E301-R338 PolarHBondContact O-NH2 2.93Å; E301-R338 IonicContact OE1-NE 2.69Å; E301-R338 VanDerWaalsContact OE2-CG 3.3Å; E301-R338 WeakPolarHBondContact OE2-CG 3.16Å; E301-R338 PolarHBondContact OE2-N 3.11Å; E301-R338 IonicContact OE2-NE 2.89Å; S305-R338 WeakPolarHBondContact OG-CA 3.43Å; S305-R338 PolarHBondContact OG-N 3.06Å; R338-G340 VanDerWaalsContact C-N 3.35Å |
| 339 | D | 83.8 | Confident | 89.4 | Confident | 14 Ų | 14 | 34.1 Ų | 34.1 | 8% | 0.075 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 3.9 | 177.5 | 72.9 | -10.9 | 0 | 0 | 0 | 113.2 | S305 G337 H341 A370 C371 | S305-D339 PolarHBondContact OG-N 3.4Å; S305-D339 VanDerWaalsContact OG-N 3.09Å; S305-D339 PolarHBondContact OG-OD1 2.92Å; G337-D339 PolarHBondContact O-N 3.13Å; D339-H341 IonicContact OD1-CE1 3.51Å; D339-H341 IonicContact OD1-CG 3.06Å; D339-H341 PolarHBondContact OD1-N 3.33Å; D339-H341 VanDerWaalsContact OD1-N 3.11Å; D339-H341 IonicContact OD1-ND1 3.76Å; D339-H341 PolarHBondContact OD1-ND1 2.66Å; D339-H341 IonicContact OD2-CE1 2.67Å; D339-H341 IonicContact OD2-ND1 3.79Å; D339-H341 PolarHBondContact OD2-ND1 3.32Å; D339-A370 CarbonylContact O-C 3.51Å; D339-A370 WeakPolarHBondContact O-CA 3.03Å; D339-C371 PolarHBondContact O-N 3.21Å |
| 340 | G | 87.1 | Confident | 89.6 | Confident | 13 Ų | 13 | 29.8 Ų | 29.8 | 13% | 0.134 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 85.3 | -4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q336 G337 R338 V369 | Q336-G340 WeakPolarHBondContact CG-O 3.46Å; Q336-G340 PolarHBondContact NE2-O 2.92Å; G337-G340 WeakPolarHBondContact O-CA 3.11Å; G337-G340 PolarHBondContact O-N 3.13Å; R338-G340 VanDerWaalsContact C-N 3.35Å; G340-V369 VanDerWaalsContact O-O 3.1Å |
| 341 | H | 90.7 | Very high | 89.9 | Confident | 5 Ų | 5 | 29.3 Ų | 29.3 | 2% | 0.023 | 15% | 0.151 | C | C | . | . | trans | -76.3 | 150.6 | 179.9 | 86.3 | -93.5 | 0 | 0 | 0 | 112.3 | S305 H310 Q336 G337 D339 H345 S346 A370 W388 | S305-H341 PolarHBondContact O-CE1 3.37Å; S305-H341 VanDerWaalsContact O-CE1 3.25Å; H310-H341 AromaticContact CD2-CD2 3.5Å; H310-H341 AromaticContact CD2-NE2 3.4Å; H310-H341 PolarHBondContact CD2-NE2 2.88Å; H310-H341 AromaticContact CG-NE2 3.88Å; H310-H341 PolarHBondContact NE2-O 3.3Å; Q336-H341 WeakPolarHBondContact CA-O 3.47Å; G337-H341 PolarHBondContact N-O 3.27Å; D339-H341 IonicContact OD1-CE1 3.51Å; D339-H341 IonicContact OD1-CG 3.06Å; D339-H341 PolarHBondContact OD1-N 3.33Å; D339-H341 VanDerWaalsContact OD1-N 3.11Å; D339-H341 IonicContact OD1-ND1 3.76Å; D339-H341 PolarHBondContact OD1-ND1 2.66Å; D339-H341 IonicContact OD2-CE1 2.67Å; D339-H341 IonicContact OD2-ND1 3.79Å; D339-H341 PolarHBondContact OD2-ND1 3.32Å; H341-H345 HydrophobicContact CB-CB 3.94Å; H341-S346 PolarHBondContact CD2-OG 3.23Å; H341-A370 HydrophobicContact CB-CB 3.74Å; H341-W388 HydrophobicContact CB-CH2 3.38Å; H341-W388 HydrophobicContact CB-CZ2 4.19Å; H341-W388 HydrophobicContact CB-CZ3 3.98Å; H341-W388 AromaticContact CG-CH2 3.99Å | ||
| 342 | T | 94.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -111.9 | 170 | 178.1 | 67.1 | 0 | 0 | 0 | 0 | 111.3 | H310 Q336 L344 H345 S346 L368 | H310-T342 VanDerWaalsContact NE2-C 3.32Å; H310-T342 WeakPolarHBondContact NE2-CA 3.45Å; Q336-T342 HydrophobicContact CG-CG2 3.66Å; T342-L344 PolarHBondContact O-N 2.87Å; T342-L344 VanDerWaalsContact O-N 3.16Å; T342-L344 PolarHBondContact OG1-N 3.29Å; T342-H345 PolarHBondContact N-ND1 3.35Å; T342-H345 VanDerWaalsContact N-ND1 3.19Å; T342-H345 WeakPolarHBondContact O-CA 3.5Å; T342-H345 VanDerWaalsContact O-CB 3.26Å; T342-H345 WeakPolarHBondContact O-CB 3.48Å; T342-H345 PolarHBondContact O-N 2.82Å; T342-H345 PolarHBondContact OG1-N 3.08Å; T342-H345 PolarHBondContact OG1-ND1 2.89Å; T342-S346 PolarHBondContact O-N 2.73Å; T342-L368 HydrophobicContact CG2-CB 4.27Å; T342-L368 HydrophobicContact CG2-CD1 3.76Å | ||
| 343 | A | 94.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.008 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -53.9 | -34.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L309 H310 C313 S346 A347 L359 | L309-A343 HydrophobicContact CD2-CB 4.16Å; L309-A343 HydrophobicContact CG-CB 3.98Å; H310-A343 PolarHBondContact CD2-N 3.05Å; H310-A343 VanDerWaalsContact CD2-N 3.32Å; H310-A343 PolarHBondContact NE2-N 2.61Å; C313-A343 HydrophobicContact CB-CB 4.43Å; A343-S346 PolarHBondContact O-N 3.36Å; A343-A347 PolarHBondContact O-N 2.86Å; A343-L359 HydrophobicContact CB-CD1 4.37Å |
| 344 | L | 95.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.4 | -38.6 | 174.8 | -177.9 | 63.8 | 0 | 0 | 0 | 111.7 | T342 A347 C348 V356 L359 L360 A364 M366 C385 | T342-L344 PolarHBondContact O-N 2.87Å; T342-L344 VanDerWaalsContact O-N 3.16Å; T342-L344 PolarHBondContact OG1-N 3.29Å; L344-A347 PolarHBondContact O-N 2.84Å; L344-C348 VanDerWaalsContact O-CB 3.28Å; L344-C348 WeakPolarHBondContact O-CB 3.38Å; L344-C348 PolarHBondContact O-N 3.16Å; L344-C348 PolarHBondContact O-SG 2.87Å; L344-V356 HydrophobicContact CD1-CB 4.41Å; L344-V356 HydrophobicContact CD1-CG1 3.94Å; L344-V356 HydrophobicContact CD1-CG2 4.47Å; L344-L359 HydrophobicContact CB-CD1 4.4Å; L344-L359 HydrophobicContact CD1-CB 4.17Å; L344-L359 HydrophobicContact CD1-CD1 4.39Å; L344-L360 HydrophobicContact CD1-CD2 4.25Å; L344-L360 HydrophobicContact CD1-CG 4.22Å; L344-L360 HydrophobicContact CD2-CD2 3.81Å; L344-A364 HydrophobicContact CB-CB 4.25Å; L344-A364 HydrophobicContact CD2-CB 3.98Å; L344-M366 HydrophobicContact CD2-CB 4.09Å; L344-C385 HydrophobicContact CG-CB 4.22Å |
| 345 | H | 92.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.8 | -47.6 | 174.1 | -72.2 | 82.6 | 0 | 0 | 0 | 111.3 | H341 T342 C348 F349 L368 Q383 C385 W388 | H341-H345 HydrophobicContact CB-CB 3.94Å; T342-H345 PolarHBondContact N-ND1 3.35Å; T342-H345 VanDerWaalsContact N-ND1 3.19Å; T342-H345 WeakPolarHBondContact O-CA 3.5Å; T342-H345 VanDerWaalsContact O-CB 3.26Å; T342-H345 WeakPolarHBondContact O-CB 3.48Å; T342-H345 PolarHBondContact O-N 2.82Å; T342-H345 PolarHBondContact OG1-N 3.08Å; T342-H345 PolarHBondContact OG1-ND1 2.89Å; H345-C348 PolarHBondContact O-N 3.44Å; H345-F349 WeakPolarHBondContact O-CB 3.33Å; H345-F349 PolarHBondContact O-N 3.43Å; H345-L368 PolarHBondContact CE1-O 2.82Å; H345-L368 PolarHBondContact NE2-O 2.69Å; H345-Q383 PolarHBondContact NE2-O 3.1Å; H345-C385 HydrophobicContact CB-CB 4.38Å; H345-C385 PolarHBondContact CD2-N 3.16Å; H345-C385 VanDerWaalsContact CD2-N 3.34Å; H345-C385 PolarHBondContact NE2-N 2.72Å; H345-C385 VanDerWaalsContact NE2-N 3.13Å; H345-W388 HydrophobicContact CB-CD2 4.41Å; H345-W388 HydrophobicContact CB-CE3 3.63Å; H345-W388 HydrophobicContact CB-CH2 4.12Å; H345-W388 HydrophobicContact CB-CZ3 3.53Å |
| 346 | S | 91.3 | Very high | 90.5 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 3% | 0.028 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.4 | -47.1 | 177.4 | -50 | 0 | 0 | 0 | 0 | 111.5 | H341 T342 A343 C348 F349 H350 | H341-S346 PolarHBondContact CD2-OG 3.23Å; T342-S346 PolarHBondContact O-N 2.73Å; A343-S346 PolarHBondContact O-N 3.36Å; S346-C348 VanDerWaalsContact C-N 3.32Å; S346-C348 PolarHBondContact O-N 3.14Å; S346-F349 PolarHBondContact O-N 3.45Å; S346-H350 PolarHBondContact O-CD2 3.13Å; S346-H350 VanDerWaalsContact O-CD2 3.25Å; S346-H350 PolarHBondContact O-N 2.82Å; S346-H350 VanDerWaalsContact O-N 3.11Å |
| 347 | A | 93.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.6 | -39.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | C313 A343 L344 G351 H352 L355 V356 L359 | C313-A347 HydrophobicContact CB-CB 4.43Å; A343-A347 PolarHBondContact O-N 2.86Å; L344-A347 PolarHBondContact O-N 2.84Å; A347-G351 PolarHBondContact O-N 2.81Å; A347-G351 VanDerWaalsContact O-N 3.14Å; A347-H352 PolarHBondContact O-N 3.47Å; A347-L355 HydrophobicContact CB-CB 4.21Å; A347-V356 HydrophobicContact CB-CG2 3.8Å; A347-L359 HydrophobicContact CB-CD1 4.01Å |
| 348 | C | 90.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.5 | -44.1 | 177.6 | -72.7 | 0 | 0 | 0 | 0 | 112.6 | L344 H345 S346 H350 G351 C385 A389 H394 I397 | L344-C348 VanDerWaalsContact O-CB 3.28Å; L344-C348 WeakPolarHBondContact O-CB 3.38Å; L344-C348 PolarHBondContact O-N 3.16Å; L344-C348 PolarHBondContact O-SG 2.87Å; H345-C348 PolarHBondContact O-N 3.44Å; S346-C348 VanDerWaalsContact C-N 3.32Å; S346-C348 PolarHBondContact O-N 3.14Å; C348-H350 VanDerWaalsContact C-N 3.33Å; C348-H350 PolarHBondContact O-N 2.97Å; C348-G351 PolarHBondContact O-N 3.05Å; C348-C385 HydrophobicContact CB-CB 4.08Å; C348-C385 WeakPolarHBondContact CB-O 3.48Å; C348-A389 HydrophobicContact CB-CB 4.11Å; C348-H394 PolarHBondContact O-CD2 3.23Å; C348-I397 HydrophobicContact CB-CG2 4.41Å |
| 349 | F | 86.6 | Confident | 91.3 | Very high | 28 Ų | 28 | 27.5 Ų | 27.5 | 12% | 0.123 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.2 | -39.2 | 179.2 | -175.2 | -87.6 | 0 | 0 | 0 | 112.2 | K5 H345 S346 W388 K392 H394 | K5-F349 HydrophobicContact CB-CE1 4.36Å; K5-F349 HydrophobicContact CB-CE2 4.26Å; K5-F349 HydrophobicContact CB-CZ 3.87Å; K5-F349 HydrophobicContact CD-CE2 4.25Å; H345-F349 WeakPolarHBondContact O-CB 3.33Å; H345-F349 PolarHBondContact O-N 3.43Å; S346-F349 PolarHBondContact O-N 3.45Å; F349-W388 HydrophobicContact CB-CB 4.39Å; F349-W388 HydrophobicContact CB-CE3 3.87Å; F349-W388 HydrophobicContact CD2-CB 4.26Å; F349-W388 HydrophobicContact CD2-CD2 4.2Å; F349-W388 AromaticContact CD2-CE3 3.94Å; F349-W388 HydrophobicContact CD2-CE3 3.94Å; F349-W388 HydrophobicContact CD2-CG 4.35Å; F349-W388 HydrophobicContact CG-CE3 4.3Å; F349-K392 HydrophobicContact CD2-CD 4.5Å; F349-K392 HydrophobicContact CD2-CG 4.08Å; F349-K392 HydrophobicContact CE2-CD 4.33Å; F349-K392 HydrophobicContact CE2-CG 4.39Å; F349-K392 HydrophobicContact CG-CG 4.29Å; F349-K392 HydrophobicContact CZ-CD 4.47Å; F349-H394 PolarHBondContact O-NE2 3.25Å |
| 350 | H | 83.6 | Confident | 91.7 | Very high | 57 Ų | 57 | 27 Ų | 27 | 26% | 0.264 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -91.3 | -2 | -177.2 | -69 | -73.6 | 0 | 0 | 0 | 114.8 | T314 S346 C348 H352 | T314-H350 WeakPolarHBondContact O-CB 3.18Å; T314-H350 PolarHBondContact O-CD2 3.27Å; S346-H350 PolarHBondContact O-CD2 3.13Å; S346-H350 VanDerWaalsContact O-CD2 3.25Å; S346-H350 PolarHBondContact O-N 2.82Å; S346-H350 VanDerWaalsContact O-N 3.11Å; C348-H350 VanDerWaalsContact C-N 3.33Å; C348-H350 PolarHBondContact O-N 2.97Å; H350-H352 VanDerWaalsContact CB-NE2 3.32Å; H350-H352 WeakPolarHBondContact CB-NE2 3.49Å |
| 351 | G | 87.1 | Confident | 91.9 | Very high | 24 Ų | 24 | 29.8 Ų | 29.8 | 25% | 0.247 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | 20.3 | 171 | 0 | 0 | 0 | 0 | 0 | 115.1 | A347 C348 I353 H394 I397 | A347-G351 PolarHBondContact O-N 2.81Å; A347-G351 VanDerWaalsContact O-N 3.14Å; C348-G351 PolarHBondContact O-N 3.05Å; G351-I353 PolarHBondContact O-N 2.94Å; G351-H394 VanDerWaalsContact CA-CE1 3.47Å; G351-H394 WeakPolarHBondContact CA-CE1 3.2Å; G351-H394 WeakPolarHBondContact CA-NE2 3.42Å; G351-H394 PolarHBondContact N-NE2 3.04Å; G351-I397 VanDerWaalsContact C-CD1 3.44Å |
| 352 | H | 91 | Very high | 91.9 | Very high | 45 Ų | 45 | 33.8 Ų | 33.8 | 21% | 0.208 | 16% | 0.162 | C | C | . | . | trans | -86.1 | 71.4 | -174 | -58.6 | -54.5 | 0 | 0 | 0 | 112.4 | C313 T314 Y315 G316 A347 H350 R354 L355 V356 | C313-H352 PolarHBondContact O-CD2 2.94Å; T314-H352 PolarHBondContact O-NE2 3.44Å; Y315-H352 VanDerWaalsContact C-CE1 3.42Å; Y315-H352 PolarHBondContact O-CE1 3.41Å; Y315-H352 PolarHBondContact O-NE2 3.23Å; G316-H352 PolarHBondContact N-NE2 2.88Å; A347-H352 PolarHBondContact O-N 3.47Å; H350-H352 VanDerWaalsContact CB-NE2 3.32Å; H350-H352 WeakPolarHBondContact CB-NE2 3.49Å; H352-R354 VanDerWaalsContact C-N 3.28Å; H352-R354 PolarHBondContact O-N 3.12Å; H352-R354 VanDerWaalsContact O-N 3.13Å; H352-L355 HydrophobicContact CB-CB 3.98Å; H352-L355 HydrophobicContact CB-CD1 3.97Å; H352-L355 HydrophobicContact CB-CG 4.46Å; H352-L355 WeakPolarHBondContact O-CA 3.28Å; H352-L355 WeakPolarHBondContact O-CB 3.35Å; H352-L355 PolarHBondContact O-N 3.26Å; H352-V356 PolarHBondContact O-N 2.98Å | ||
| 353 | I | 90.1 | Very high | 91.7 | Very high | 76 Ų | 76 | 35.2 Ų | 35.2 | 39% | 0.39 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -53.9 | -37.6 | -172 | -168.6 | 168 | 0 | 0 | 0 | 114.6 | G351 V356 Q357 A396 I397 L400 | G351-I353 PolarHBondContact O-N 2.94Å; I353-V356 PolarHBondContact O-N 3.47Å; I353-Q357 WeakPolarHBondContact O-CB 3.49Å; I353-Q357 PolarHBondContact O-N 3.07Å; I353-A396 HydrophobicContact CD1-CB 3.8Å; I353-I397 HydrophobicContact CB-CD1 4.27Å; I353-I397 HydrophobicContact CB-CG1 3.87Å; I353-I397 HydrophobicContact CD1-CG1 4.42Å; I353-I397 HydrophobicContact CG1-CG1 4.01Å; I353-L400 HydrophobicContact CG1-CD2 4.17Å |
| 354 | R | 93.6 | Very high | 91.7 | Very high | 211 Ų | 211 | 35.2 Ų | 35.2 | 80% | 0.796 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -66.5 | -37.9 | 177.5 | -68.6 | -174.1 | 179.5 | -172.2 | -0.1 | 112.2 | H352 F358 | H352-R354 VanDerWaalsContact C-N 3.28Å; H352-R354 PolarHBondContact O-N 3.12Å; H352-R354 VanDerWaalsContact O-N 3.13Å; R354-F358 WeakPolarHBondContact O-CB 3.48Å; R354-F358 PolarHBondContact O-N 3.06Å |
| 355 | L | 94.6 | Very high | 91.4 | Very high | 7 Ų | 7 | 37.4 Ų | 37.4 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -71.5 | -40.1 | 174.8 | -82.2 | 166.8 | 0 | 0 | 0 | 111.2 | L319 V322 A347 H352 Q357 F358 L359 | L319-L355 HydrophobicContact CD1-CD2 3.42Å; L319-L355 VanDerWaalsContact CD1-CD2 3.42Å; L319-L355 HydrophobicContact CD1-CG 4.26Å; V322-L355 HydrophobicContact CB-CD2 4.09Å; V322-L355 HydrophobicContact CG1-CD2 4.22Å; V322-L355 HydrophobicContact CG2-CD2 3.82Å; A347-L355 HydrophobicContact CB-CB 4.21Å; H352-L355 HydrophobicContact CB-CB 3.98Å; H352-L355 HydrophobicContact CB-CD1 3.97Å; H352-L355 HydrophobicContact CB-CG 4.46Å; H352-L355 WeakPolarHBondContact O-CA 3.28Å; H352-L355 WeakPolarHBondContact O-CB 3.35Å; H352-L355 PolarHBondContact O-N 3.26Å; L355-Q357 PolarHBondContact O-N 3.15Å; L355-F358 PolarHBondContact O-N 3.18Å; L355-L359 WeakPolarHBondContact O-CB 3.49Å; L355-L359 WeakPolarHBondContact O-CG 3.14Å; L355-L359 PolarHBondContact O-N 3.42Å |
| 356 | V | 95.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.5 | -52 | 173.4 | 173.5 | 0 | 0 | 0 | 0 | 110.3 | L344 A347 H352 I353 F358 L359 L360 I397 L400 L401 | L344-V356 HydrophobicContact CD1-CB 4.41Å; L344-V356 HydrophobicContact CD1-CG1 3.94Å; L344-V356 HydrophobicContact CD1-CG2 4.47Å; A347-V356 HydrophobicContact CB-CG2 3.8Å; H352-V356 PolarHBondContact O-N 2.98Å; I353-V356 PolarHBondContact O-N 3.47Å; V356-F358 PolarHBondContact O-N 2.96Å; V356-L359 PolarHBondContact O-N 2.93Å; V356-L360 HydrophobicContact CG1-CD1 3.85Å; V356-L360 HydrophobicContact CG1-CG 4.4Å; V356-L360 VanDerWaalsContact O-CG 3.23Å; V356-L360 WeakPolarHBondContact O-CG 3.42Å; V356-L360 PolarHBondContact O-N 2.82Å; V356-I397 HydrophobicContact CG1-CG2 4.18Å; V356-I397 HydrophobicContact CG2-CD1 4.11Å; V356-I397 HydrophobicContact CG2-CG2 4.18Å; V356-L400 HydrophobicContact CB-CD2 4.45Å; V356-L400 HydrophobicContact CG1-CD2 3.87Å; V356-L401 HydrophobicContact CG1-CD2 4.29Å |
| 357 | Q | 92.3 | Very high | 91 | Very high | 63 Ų | 63 | 43.7 Ų | 43.7 | 29% | 0.294 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -55.7 | -51.3 | 177.3 | -177.4 | 65.5 | 50.5 | 0 | 0 | 111.5 | I353 L355 L359 L360 D361 L400 | I353-Q357 WeakPolarHBondContact O-CB 3.49Å; I353-Q357 PolarHBondContact O-N 3.07Å; L355-Q357 PolarHBondContact O-N 3.15Å; Q357-L359 PolarHBondContact O-N 3.27Å; Q357-L360 PolarHBondContact O-N 2.95Å; Q357-D361 WeakPolarHBondContact CG-OD2 3.35Å; Q357-D361 VanDerWaalsContact NE2-CG 3.27Å; Q357-D361 PolarHBondContact NE2-OD1 3.43Å; Q357-D361 PolarHBondContact NE2-OD2 2.99Å; Q357-D361 WeakPolarHBondContact O-CB 3.42Å; Q357-D361 PolarHBondContact O-N 3.05Å; Q357-L400 HydrophobicContact CB-CD2 4.23Å |
| 358 | F | 94.9 | Very high | 90.6 | Very high | 29 Ų | 29 | 45.5 Ų | 45.5 | 13% | 0.127 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.7 | -46.1 | 179.3 | 168 | -98.1 | 0 | 0 | 0 | 112.6 | L319 V322 K323 L326 R354 L355 V356 L360 D361 N362 | L319-F358 HydrophobicContact CD1-CB 3.83Å; L319-F358 HydrophobicContact CD1-CD1 3.73Å; L319-F358 HydrophobicContact CD1-CD2 4.21Å; L319-F358 HydrophobicContact CD1-CE1 4.4Å; L319-F358 HydrophobicContact CD1-CG 3.63Å; V322-F358 HydrophobicContact CG1-CD1 4.44Å; V322-F358 HydrophobicContact CG1-CE1 4.01Å; K323-F358 HydrophobicContact CB-CZ 4.26Å; K323-F358 HydrophobicContact CD-CE2 4.15Å; K323-F358 HydrophobicContact CD-CZ 4.47Å; K323-F358 HydrophobicContact CG-CD2 4.35Å; K323-F358 HydrophobicContact CG-CE1 4.13Å; K323-F358 HydrophobicContact CG-CE2 3.44Å; K323-F358 VanDerWaalsContact CG-CE2 3.44Å; K323-F358 HydrophobicContact CG-CZ 3.33Å; L326-F358 HydrophobicContact CD1-CE1 3.79Å; L326-F358 HydrophobicContact CD1-CZ 4.19Å; R354-F358 WeakPolarHBondContact O-CB 3.48Å; R354-F358 PolarHBondContact O-N 3.06Å; L355-F358 PolarHBondContact O-N 3.18Å; V356-F358 PolarHBondContact O-N 2.96Å; F358-L360 VanDerWaalsContact C-N 3.33Å; F358-L360 PolarHBondContact O-N 3.29Å; F358-D361 PolarHBondContact O-N 3.04Å; F358-N362 VanDerWaalsContact CD2-ND2 3.34Å; F358-N362 WeakPolarHBondContact CD2-ND2 3.27Å; F358-N362 WeakPolarHBondContact CE2-ND2 3.36Å; F358-N362 PolarHBondContact O-N 3.18Å; F358-N362 VanDerWaalsContact O-N 3.08Å; F358-N362 PolarHBondContact O-ND2 3.21Å |
| 359 | L | 95.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.6 | -42.5 | 180 | -72.3 | 170.6 | 0 | 0 | 0 | 110.9 | V322 L326 I333 A343 L344 A347 L355 V356 Q357 N362 G363 A364 | V322-L359 HydrophobicContact CG1-CD2 4.39Å; L326-L359 HydrophobicContact CD1-CD2 4.27Å; I333-L359 HydrophobicContact CD1-CB 4.47Å; I333-L359 HydrophobicContact CD1-CD2 3.91Å; I333-L359 VanDerWaalsContact CD1-O 3.3Å; I333-L359 WeakPolarHBondContact CD1-O 3.32Å; I333-L359 HydrophobicContact CG1-CD2 3.91Å; A343-L359 HydrophobicContact CB-CD1 4.37Å; L344-L359 HydrophobicContact CB-CD1 4.4Å; L344-L359 HydrophobicContact CD1-CB 4.17Å; L344-L359 HydrophobicContact CD1-CD1 4.39Å; A347-L359 HydrophobicContact CB-CD1 4.01Å; L355-L359 WeakPolarHBondContact O-CB 3.49Å; L355-L359 WeakPolarHBondContact O-CG 3.14Å; L355-L359 PolarHBondContact O-N 3.42Å; V356-L359 PolarHBondContact O-N 2.93Å; Q357-L359 PolarHBondContact O-N 3.27Å; L359-N362 CarbonylContact O-C 3.56Å; L359-N362 PolarHBondContact O-N 3.23Å; L359-G363 PolarHBondContact O-N 2.92Å; L359-A364 VanDerWaalsContact C-CB 3.49Å; L359-A364 HydrophobicContact CB-CB 3.94Å; L359-A364 WeakPolarHBondContact O-CB 3.38Å; L359-A364 PolarHBondContact O-N 3.41Å |
| 360 | L | 93.3 | Very high | 90.3 | Very high | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.7 | -46.9 | 176 | -67.9 | 171.9 | 0 | 0 | 0 | 111.9 | L344 V356 Q357 F358 N362 G363 M366 L400 L401 Y404 | L344-L360 HydrophobicContact CD1-CD2 4.25Å; L344-L360 HydrophobicContact CD1-CG 4.22Å; L344-L360 HydrophobicContact CD2-CD2 3.81Å; V356-L360 HydrophobicContact CG1-CD1 3.85Å; V356-L360 HydrophobicContact CG1-CG 4.4Å; V356-L360 VanDerWaalsContact O-CG 3.23Å; V356-L360 WeakPolarHBondContact O-CG 3.42Å; V356-L360 PolarHBondContact O-N 2.82Å; Q357-L360 PolarHBondContact O-N 2.95Å; F358-L360 VanDerWaalsContact C-N 3.33Å; F358-L360 PolarHBondContact O-N 3.29Å; L360-N362 PolarHBondContact O-N 2.81Å; L360-N362 VanDerWaalsContact O-N 3.13Å; L360-G363 PolarHBondContact O-N 3.42Å; L360-M366 HydrophobicContact CD1-CE 4.48Å; L360-M366 HydrophobicContact CD2-CB 4.39Å; L360-M366 HydrophobicContact CD2-CE 3.56Å; L360-L400 HydrophobicContact CD1-CD2 4.38Å; L360-L400 HydrophobicContact CD1-CG 4.34Å; L360-L401 HydrophobicContact CD1-CD2 3.88Å; L360-L401 HydrophobicContact CD2-CD2 4.2Å; L360-Y404 HydrophobicContact CB-CD1 4.25Å; L360-Y404 HydrophobicContact CB-CD2 4.1Å; L360-Y404 HydrophobicContact CB-CE1 3.8Å; L360-Y404 HydrophobicContact CB-CE2 3.64Å; L360-Y404 HydrophobicContact CB-CG 4.4Å; L360-Y404 VanDerWaalsContact CB-CZ 3.49Å; L360-Y404 HydrophobicContact CD1-CD1 4.35Å; L360-Y404 HydrophobicContact CD1-CD2 3.82Å; L360-Y404 HydrophobicContact CD1-CE2 4.2Å; L360-Y404 HydrophobicContact CD1-CG 3.91Å; L360-Y404 HydrophobicContact CD2-CD1 4.45Å; L360-Y404 PolarHBondContact O-OH 3.33Å |
| 361 | D | 90.9 | Very high | 90 | Very high | 72 Ų | 72 | 45.6 Ų | 45.6 | 39% | 0.385 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.4 | -20.6 | 178.4 | -66.9 | -20.2 | 0 | 0 | 0 | 112.9 | Q357 F358 Y404 | Q357-D361 WeakPolarHBondContact CG-OD2 3.35Å; Q357-D361 VanDerWaalsContact NE2-CG 3.27Å; Q357-D361 PolarHBondContact NE2-OD1 3.43Å; Q357-D361 PolarHBondContact NE2-OD2 2.99Å; Q357-D361 WeakPolarHBondContact O-CB 3.42Å; Q357-D361 PolarHBondContact O-N 3.05Å; F358-D361 PolarHBondContact O-N 3.04Å; D361-Y404 VanDerWaalsContact CA-OH 3.23Å; D361-Y404 WeakPolarHBondContact CA-OH 3.26Å; D361-Y404 PolarHBondContact N-OH 3.28Å; D361-Y404 VanDerWaalsContact N-OH 3.17Å; D361-Y404 VanDerWaalsContact OD1-CE2 3.26Å; D361-Y404 WeakPolarHBondContact OD1-CE2 3.46Å; D361-Y404 PolarHBondContact OD1-OH 3.2Å |
| 362 | N | 90.5 | Very high | 88.6 | Confident | 90 Ų | 90 | 46 Ų | 46 | 48% | 0.481 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 18 | 176.7 | -71 | -96.1 | 0 | 0 | 0 | 113 | I333 F358 L359 L360 | I333-N362 HydrophobicContact CD1-CB 3.74Å; I333-N362 WeakPolarHBondContact CD1-O 3.25Å; F358-N362 VanDerWaalsContact CD2-ND2 3.34Å; F358-N362 WeakPolarHBondContact CD2-ND2 3.27Å; F358-N362 WeakPolarHBondContact CE2-ND2 3.36Å; F358-N362 PolarHBondContact O-N 3.18Å; F358-N362 VanDerWaalsContact O-N 3.08Å; F358-N362 PolarHBondContact O-ND2 3.21Å; L359-N362 CarbonylContact O-C 3.56Å; L359-N362 PolarHBondContact O-N 3.23Å; L360-N362 PolarHBondContact O-N 2.81Å; L360-N362 VanDerWaalsContact O-N 3.13Å |
| 363 | G | 89.3 | Confident | 86.6 | Confident | 29 Ų | 29 | 47.8 Ų | 47.8 | 30% | 0.299 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.1 | 18.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | N334 L359 L360 D365 | N334-G363 PolarHBondContact ND2-O 3.38Å; N334-G363 VanDerWaalsContact ND2-O 3.13Å; L359-G363 PolarHBondContact O-N 2.92Å; L360-G363 PolarHBondContact O-N 3.42Å; G363-D365 PolarHBondContact O-N 3.15Å |
| 364 | A | 93.8 | Very high | 84.4 | Confident | 2 Ų | 2 | 48 Ų | 48 | 2% | 0.017 | 26% | 0.258 | C | S | . | . | trans | -61.6 | 135.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | I333 N334 L344 L359 | I333-A364 HydrophobicContact CD1-CB 4.11Å; I333-A364 HydrophobicContact CG1-CB 4.17Å; N334-A364 VanDerWaalsContact OD1-CA 3.27Å; N334-A364 WeakPolarHBondContact OD1-CA 3.49Å; L344-A364 HydrophobicContact CB-CB 4.25Å; L344-A364 HydrophobicContact CD2-CB 3.98Å; L359-A364 VanDerWaalsContact C-CB 3.49Å; L359-A364 HydrophobicContact CB-CB 3.94Å; L359-A364 WeakPolarHBondContact O-CB 3.38Å; L359-A364 PolarHBondContact O-N 3.41Å | ||
| 365 | D | 90 | Very high | 82.3 | Confident | 46 Ų | 46 | 44.1 Ų | 44.1 | 25% | 0.246 | 24% | 0.244 | C | C | . | . | trans | -92.5 | 115.4 | 178.3 | -170 | -7.3 | 0 | 0 | 0 | 110.1 | N334 G363 N367 L368 | N334-D365 PolarHBondContact OD1-N 3.23Å; G363-D365 PolarHBondContact O-N 3.15Å; D365-N367 VanDerWaalsContact C-N 3.27Å; D365-N367 WeakPolarHBondContact OD1-CB 3.3Å; D365-N367 PolarHBondContact OD1-N 2.92Å; D365-N367 PolarHBondContact OD1-ND2 3.23Å; D365-L368 HydrophobicContact CB-CD1 3.98Å; D365-L368 HydrophobicContact CB-CG 3.96Å | ||
| 366 | M | 88.3 | Confident | 79.7 | Confident | 43 Ų | 43 | 50 Ų | 50 | 21% | 0.212 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -10.4 | 179 | 66.2 | -179.6 | 65.7 | 0 | 0 | 113.8 | L344 L360 L401 Y404 | L344-M366 HydrophobicContact CD2-CB 4.09Å; L360-M366 HydrophobicContact CD1-CE 4.48Å; L360-M366 HydrophobicContact CD2-CB 4.39Å; L360-M366 HydrophobicContact CD2-CE 3.56Å; M366-L401 HydrophobicContact CB-CD2 4.2Å; M366-L401 HydrophobicContact CE-CD2 4.26Å; M366-Y404 HydrophobicContact CE-CD1 3.71Å; M366-Y404 HydrophobicContact CE-CG 4.15Å |
| 367 | N | 86.6 | Confident | 77.2 | Confident | 93 Ų | 93 | 53.1 Ų | 53.1 | 50% | 0.497 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -8.3 | -178.6 | -57.6 | -57.5 | 0 | 0 | 0 | 113 | D365 | D365-N367 VanDerWaalsContact C-N 3.27Å; D365-N367 WeakPolarHBondContact OD1-CB 3.3Å; D365-N367 PolarHBondContact OD1-N 2.92Å; D365-N367 PolarHBondContact OD1-ND2 3.23Å |
| 368 | L | 86.4 | Confident | 74.9 | Confident | 38 Ų | 38 | 54.6 Ų | 54.6 | 20% | 0.199 | 34% | 0.339 | C | S | . | . | trans | -62.5 | 145.5 | 172.8 | -68.5 | 173.9 | 0 | 0 | 0 | 110.2 | N334 Q336 T342 H345 D365 | N334-L368 HydrophobicContact CB-CD1 3.8Å; Q336-L368 HydrophobicContact CG-CD1 4.46Å; T342-L368 HydrophobicContact CG2-CB 4.27Å; T342-L368 HydrophobicContact CG2-CD1 3.76Å; H345-L368 PolarHBondContact CE1-O 2.82Å; H345-L368 PolarHBondContact NE2-O 2.69Å; D365-L368 HydrophobicContact CB-CD1 3.98Å; D365-L368 HydrophobicContact CB-CG 3.96Å | ||
| 369 | V | 85.7 | Confident | 72.6 | Confident | 44 Ų | 44 | 60.3 Ų | 60.3 | 27% | 0.267 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 141.4 | -174.1 | -67.2 | 0 | 0 | 0 | 0 | 111.5 | Q336 G340 E382 Q383 T384 | Q336-V369 PolarHBondContact NE2-O 3.38Å; Q336-V369 VanDerWaalsContact NE2-O 3.07Å; G340-V369 VanDerWaalsContact O-O 3.1Å; V369-E382 HydrophobicContact CB-CB 3.86Å; V369-E382 HydrophobicContact CB-CG 4.31Å; V369-E382 HydrophobicContact CG1-CB 4.07Å; V369-E382 HydrophobicContact CG2-CB 4.04Å; V369-E382 HydrophobicContact CG2-CG 3.97Å; V369-Q383 WeakPolarHBondContact CA-O 2.83Å; V369-T384 HydrophobicContact CG1-CG2 3.87Å |
| 370 | A | 84.8 | Confident | 70.5 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 144.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | D339 H341 Q383 W388 | D339-A370 CarbonylContact O-C 3.51Å; D339-A370 WeakPolarHBondContact O-CA 3.03Å; H341-A370 HydrophobicContact CB-CB 3.74Å; A370-Q383 PolarHBondContact N-O 3.19Å; A370-Q383 PolarHBondContact O-N 3.07Å; A370-W388 HydrophobicContact CB-CH2 4.07Å; A370-W388 HydrophobicContact CB-CZ2 3.5Å; A370-W388 VanDerWaalsContact CB-CZ2 3.5Å |
| 371 | C | 76.4 | Confident | 69.1 | Low | 44 Ų | 44 | 71.1 Ų | 71.1 | 30% | 0.297 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 135 | 172.7 | -67.3 | 0 | 0 | 0 | 0 | 109.9 | D339 P373 | D339-C371 PolarHBondContact O-N 3.21Å; C371-P373 WeakPolarHBondContact O-CD 3.44Å |
| 372 | D | 58.1 | Low | 68.5 | Low | 32 Ų | 32 | 73.3 Ų | 73.3 | 17% | 0.171 | 42% | 0.424 | C | S | . | . | trans | -91.4 | 106.2 | 169 | -173.2 | -3.3 | 0 | 0 | 0 | 110.7 | S374 | D372-S374 PolarHBondContact O-N 3.35Å; D372-S374 VanDerWaalsContact OD1-CB 3.29Å; D372-S374 WeakPolarHBondContact OD1-CB 3.12Å; D372-S374 PolarHBondContact OD1-N 3.06Å; D372-S374 PolarHBondContact OD1-OG 3.33Å; D372-S374 PolarHBondContact OD2-OG 2.94Å; D372-S374 VanDerWaalsContact OD2-OG 3.11Å | ||
| 373 | P | 48.6 | Very low | 68.1 | Low | 83 Ų | 83 | 69.5 Ų | 69.5 | 54% | 0.539 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -6.5 | 179.4 | 28.1 | -33.4 | 0 | 0 | 0 | 113.8 | Y4 C371 | Y4-P373 HydrophobicContact CD1-CG 4.04Å; Y4-P373 HydrophobicContact CE1-CG 3.67Å; C371-P373 WeakPolarHBondContact O-CD 3.44Å |
| 374 | S | 45.1 | Very low | 67.9 | Low | 79 Ų | 79 | 68.8 Ų | 68.8 | 55% | 0.552 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -6 | -175.3 | 72.9 | 0 | 0 | 0 | 0 | 115.1 | D372 | D372-S374 PolarHBondContact O-N 3.35Å; D372-S374 VanDerWaalsContact OD1-CB 3.29Å; D372-S374 WeakPolarHBondContact OD1-CB 3.12Å; D372-S374 PolarHBondContact OD1-N 3.06Å; D372-S374 PolarHBondContact OD1-OG 3.33Å; D372-S374 PolarHBondContact OD2-OG 2.94Å; D372-S374 VanDerWaalsContact OD2-OG 3.11Å |
| 375 | R | 48.3 | Very low | 67.5 | Low | 131 Ų | 131 | 68.7 Ų | 68.7 | 49% | 0.494 | 39% | 0.392 | S | S | . | . | trans | -99.6 | 105.9 | 176.9 | -70.7 | -173.2 | 169.2 | -155.4 | 5.3 | 110.7 | S377 D381 | R375-S377 PolarHBondContact O-N 3.4Å; R375-S377 VanDerWaalsContact O-N 3.12Å; R375-D381 VanDerWaalsContact CD-OD2 3.26Å; R375-D381 WeakPolarHBondContact CD-OD2 3.38Å; R375-D381 IonicContact CZ-OD2 3.53Å; R375-D381 IonicContact NE-OD2 2.75Å; R375-D381 IonicContact NH1-OD2 3.47Å; R375-D381 PolarHBondContact NH1-OD2 3.04Å | ||
| 376 | S | 39.3 | Very low | 67.2 | Low | 130 Ų | 130 | 67.2 Ų | 67.2 | 91% | 0.909 | 38% | 0.384 | S | S | * | . | trans | -75.3 | 13.8 | 179.8 | -42 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 377 | S | 43.6 | Very low | 66.7 | Low | 65 Ų | 65 | 67.1 Ų | 67.1 | 46% | 0.455 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -82.5 | 124.4 | 166.5 | 48.2 | 0 | 0 | 0 | 0 | 107.3 | R375 E379 | R375-S377 PolarHBondContact O-N 3.4Å; R375-S377 VanDerWaalsContact O-N 3.12Å; S377-E379 PolarHBondContact O-N 3.46Å |
| 378 | G | 43.5 | Very low | 66.5 | Low | 94 Ų | 94 | 62.9 Ų | 62.9 | 97% | 0.969 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -60.2 | 16.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 379 | E | 46.4 | Very low | 66.1 | Low | 150 Ų | 150 | 61.1 Ų | 61.1 | 70% | 0.701 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -99.9 | 121.5 | 168.6 | -68 | 179.9 | 166.6 | 0 | 0 | 108.6 | S377 D381 | S377-E379 PolarHBondContact O-N 3.46Å; E379-D381 PolarHBondContact O-N 3.21Å |
| 380 | K | 52.3 | Low | 65.5 | Low | 177 Ų | 177 | 61 Ų | 61 | 77% | 0.77 | 35% | 0.347 | S | S | * | . | trans | -68.5 | 95.7 | 172.3 | -70.2 | -179.1 | 179.2 | -179 | 0 | 108.1 | E382 | K380-E382 VanDerWaalsContact C-N 3.33Å; K380-E382 PolarHBondContact O-N 3.01Å | ||
| 381 | D | 63.7 | Low | 64.8 | Low | 51 Ų | 51 | 66.2 Ų | 66.2 | 27% | 0.273 | 37% | 0.371 | S | S | . | . | trans | -66.9 | 92 | 172.1 | -89 | -11.9 | 0 | 0 | 0 | 109 | R375 E379 | R375-D381 VanDerWaalsContact CD-OD2 3.26Å; R375-D381 WeakPolarHBondContact CD-OD2 3.38Å; R375-D381 IonicContact CZ-OD2 3.53Å; R375-D381 IonicContact NE-OD2 2.75Å; R375-D381 IonicContact NH1-OD2 3.47Å; R375-D381 PolarHBondContact NH1-OD2 3.04Å; E379-D381 PolarHBondContact O-N 3.21Å | ||
| 382 | E | 77.6 | Confident | 64.6 | Low | 118 Ų | 118 | 69.2 Ų | 69.2 | 55% | 0.551 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 127.7 | 172.7 | -73.8 | 178.1 | 179.4 | 0 | 0 | 110.2 | V369 K380 | V369-E382 HydrophobicContact CB-CB 3.86Å; V369-E382 HydrophobicContact CB-CG 4.31Å; V369-E382 HydrophobicContact CG1-CB 4.07Å; V369-E382 HydrophobicContact CG2-CB 4.04Å; V369-E382 HydrophobicContact CG2-CG 3.97Å; K380-E382 VanDerWaalsContact C-N 3.33Å; K380-E382 PolarHBondContact O-N 3.01Å |
| 383 | Q | 81.4 | Confident | 65.3 | Low | 10 Ų | 10 | 69.3 Ų | 69.3 | 5% | 0.047 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 130.7 | -176.1 | -61.9 | -169 | -36.2 | 0 | 0 | 112.1 | H345 V369 A370 M387 E391 | H345-Q383 PolarHBondContact NE2-O 3.1Å; V369-Q383 WeakPolarHBondContact CA-O 2.83Å; A370-Q383 PolarHBondContact N-O 3.19Å; A370-Q383 PolarHBondContact O-N 3.07Å; Q383-M387 HydrophobicContact CB-SD 4.26Å; Q383-M387 HydrophobicContact CG-CE 4.22Å; Q383-E391 PolarHBondContact NE2-OE1 3.18Å |
| 384 | T | 86.7 | Confident | 66.7 | Low | 14 Ų | 14 | 67.8 Ų | 67.8 | 9% | 0.086 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 164.9 | 173.8 | 62 | 0 | 0 | 0 | 0 | 112.3 | V369 L386 M387 W388 | V369-T384 HydrophobicContact CG1-CG2 3.87Å; T384-L386 PolarHBondContact O-N 3Å; T384-M387 PolarHBondContact N-SD 3.33Å; T384-M387 VanDerWaalsContact N-SD 3.43Å; T384-M387 WeakPolarHBondContact O-CB 3.45Å; T384-M387 PolarHBondContact O-N 3.34Å; T384-W388 PolarHBondContact O-N 3.28Å |
| 385 | C | 84.7 | Confident | 68.1 | Low | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.7 | -29.3 | 176.2 | 67.8 | 0 | 0 | 0 | 0 | 112.8 | L344 H345 C348 W388 A389 | L344-C385 HydrophobicContact CG-CB 4.22Å; H345-C385 HydrophobicContact CB-CB 4.38Å; H345-C385 PolarHBondContact CD2-N 3.16Å; H345-C385 VanDerWaalsContact CD2-N 3.34Å; H345-C385 PolarHBondContact NE2-N 2.72Å; H345-C385 VanDerWaalsContact NE2-N 3.13Å; C348-C385 HydrophobicContact CB-CB 4.08Å; C348-C385 WeakPolarHBondContact CB-O 3.48Å; C385-W388 PolarHBondContact O-N 2.97Å; C385-A389 PolarHBondContact O-N 3.42Å |
| 386 | L | 83.2 | Confident | 69.4 | Low | 15 Ų | 15 | 64.9 Ų | 64.9 | 8% | 0.079 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 172.8 | 177.9 | 65.2 | 0 | 0 | 0 | 111.6 | T384 W388 A389 Y390 V398 L401 K402 V425 V427 | T384-L386 PolarHBondContact O-N 3Å; L386-W388 VanDerWaalsContact C-N 3.35Å; L386-A389 PolarHBondContact O-N 2.99Å; L386-Y390 VanDerWaalsContact O-CB 3.25Å; L386-Y390 WeakPolarHBondContact O-CB 3.48Å; L386-Y390 PolarHBondContact O-N 3.41Å; L386-V398 HydrophobicContact CD1-CB 4.32Å; L386-V398 HydrophobicContact CD1-CG1 3.95Å; L386-V398 HydrophobicContact CD1-CG2 4.44Å; L386-L401 HydrophobicContact CB-CD1 4.12Å; L386-L401 HydrophobicContact CD1-CB 3.83Å; L386-L401 HydrophobicContact CD1-CD1 4.02Å; L386-K402 HydrophobicContact CD1-CG 4.33Å; L386-V425 HydrophobicContact CD2-CG1 4.43Å; L386-V427 HydrophobicContact CD2-CG1 4.11Å; L386-V427 HydrophobicContact CG-CG1 4.31Å |
| 387 | M | 79.2 | Confident | 71.6 | Confident | 41 Ų | 41 | 58.9 Ų | 58.9 | 20% | 0.202 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65 | -41 | 178 | -64 | 165.5 | 80.1 | 0 | 0 | 110.6 | Q383 T384 Y390 E391 P428 | Q383-M387 HydrophobicContact CB-SD 4.26Å; Q383-M387 HydrophobicContact CG-CE 4.22Å; T384-M387 PolarHBondContact N-SD 3.33Å; T384-M387 VanDerWaalsContact N-SD 3.43Å; T384-M387 WeakPolarHBondContact O-CB 3.45Å; T384-M387 PolarHBondContact O-N 3.34Å; M387-Y390 PolarHBondContact O-N 3Å; M387-E391 WeakPolarHBondContact O-CB 3.11Å; M387-E391 WeakPolarHBondContact O-CG 3.44Å; M387-E391 PolarHBondContact O-N 2.92Å; M387-P428 HydrophobicContact CE-CG 3.62Å; M387-P428 HydrophobicContact CG-CG 4.12Å |
| 388 | W | 82.1 | Confident | 73.3 | Confident | 5 Ų | 5 | 56.2 Ų | 56.2 | 2% | 0.019 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.6 | -44.3 | 176.4 | -69.7 | 11.3 | 0 | 0 | 0 | 112.6 | K5 H341 H345 F349 A370 T384 C385 L386 Y390 E391 K392 | K5-W388 HydrophobicContact CD-CH2 3.75Å; K5-W388 HydrophobicContact CD-CZ2 4.08Å; K5-W388 HydrophobicContact CD-CZ3 4.11Å; K5-W388 VanDerWaalsContact CE-CH2 3.41Å; K5-W388 VanDerWaalsContact CE-CZ2 3.48Å; H341-W388 HydrophobicContact CB-CH2 3.38Å; H341-W388 HydrophobicContact CB-CZ2 4.19Å; H341-W388 HydrophobicContact CB-CZ3 3.98Å; H341-W388 AromaticContact CG-CH2 3.99Å; H345-W388 HydrophobicContact CB-CD2 4.41Å; H345-W388 HydrophobicContact CB-CE3 3.63Å; H345-W388 HydrophobicContact CB-CH2 4.12Å; H345-W388 HydrophobicContact CB-CZ3 3.53Å; F349-W388 HydrophobicContact CB-CB 4.39Å; F349-W388 HydrophobicContact CB-CE3 3.87Å; F349-W388 HydrophobicContact CD2-CB 4.26Å; F349-W388 HydrophobicContact CD2-CD2 4.2Å; F349-W388 AromaticContact CD2-CE3 3.94Å; F349-W388 HydrophobicContact CD2-CE3 3.94Å; F349-W388 HydrophobicContact CD2-CG 4.35Å; F349-W388 HydrophobicContact CG-CE3 4.3Å; A370-W388 HydrophobicContact CB-CH2 4.07Å; A370-W388 HydrophobicContact CB-CZ2 3.5Å; A370-W388 VanDerWaalsContact CB-CZ2 3.5Å; T384-W388 PolarHBondContact O-N 3.28Å; C385-W388 PolarHBondContact O-N 2.97Å; L386-W388 VanDerWaalsContact C-N 3.35Å; W388-Y390 VanDerWaalsContact C-N 3.28Å; W388-Y390 PolarHBondContact O-N 3.38Å; W388-E391 PolarHBondContact O-N 3.35Å; W388-K392 WeakPolarHBondContact O-CB 3.03Å; W388-K392 VanDerWaalsContact O-CG 3.3Å; W388-K392 WeakPolarHBondContact O-CG 3.5Å; W388-K392 PolarHBondContact O-N 3.36Å; W388-K392 VanDerWaalsContact O-N 3.07Å |
| 389 | A | 78.3 | Confident | 75 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.9 | -41.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | C348 C385 L386 K392 G393 H394 I397 V398 L401 | C348-A389 HydrophobicContact CB-CB 4.11Å; C385-A389 PolarHBondContact O-N 3.42Å; L386-A389 PolarHBondContact O-N 2.99Å; A389-K392 PolarHBondContact O-N 3.03Å; A389-G393 PolarHBondContact O-N 3.44Å; A389-G393 VanDerWaalsContact O-N 3.14Å; A389-H394 HydrophobicContact CB-CB 4.43Å; A389-H394 PolarHBondContact O-N 3.08Å; A389-I397 HydrophobicContact CB-CB 4.26Å; A389-I397 HydrophobicContact CB-CG2 3.69Å; A389-V398 HydrophobicContact CB-CG2 3.92Å; A389-L401 HydrophobicContact CB-CD1 4.39Å |
| 390 | Y | 72 | Confident | 76.8 | Confident | 43 Ų | 43 | 49.8 Ų | 49.8 | 17% | 0.169 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.7 | -47.8 | 178.6 | -179.5 | -96.3 | 0 | 0 | 0 | 112.6 | L386 M387 W388 K392 G393 V398 | L386-Y390 VanDerWaalsContact O-CB 3.25Å; L386-Y390 WeakPolarHBondContact O-CB 3.48Å; L386-Y390 PolarHBondContact O-N 3.41Å; M387-Y390 PolarHBondContact O-N 3Å; W388-Y390 VanDerWaalsContact C-N 3.28Å; W388-Y390 PolarHBondContact O-N 3.38Å; Y390-K392 PolarHBondContact O-N 3.45Å; Y390-G393 PolarHBondContact O-N 3.27Å; Y390-G393 VanDerWaalsContact O-N 3.09Å; Y390-V398 HydrophobicContact CD2-CG1 4.47Å; Y390-V398 HydrophobicContact CD2-CG2 4.47Å |
| 391 | E | 70.9 | Confident | 78.3 | Confident | 108 Ų | 108 | 41.7 Ų | 41.7 | 51% | 0.505 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.1 | -32.5 | 177.2 | -76.7 | -178.2 | 177.2 | 0 | 0 | 112.5 | Q383 M387 W388 | Q383-E391 PolarHBondContact NE2-OE1 3.18Å; M387-E391 WeakPolarHBondContact O-CB 3.11Å; M387-E391 WeakPolarHBondContact O-CG 3.44Å; M387-E391 PolarHBondContact O-N 2.92Å; W388-E391 PolarHBondContact O-N 3.35Å |
| 392 | K | 72.6 | Confident | 79.2 | Confident | 107 Ų | 107 | 44.3 Ų | 44.3 | 47% | 0.465 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -3.4 | 177.2 | -63.9 | -60.8 | -176.7 | -174.7 | 0 | 114.5 | F349 W388 A389 Y390 H394 | F349-K392 HydrophobicContact CD2-CD 4.5Å; F349-K392 HydrophobicContact CD2-CG 4.08Å; F349-K392 HydrophobicContact CE2-CD 4.33Å; F349-K392 HydrophobicContact CE2-CG 4.39Å; F349-K392 HydrophobicContact CG-CG 4.29Å; F349-K392 HydrophobicContact CZ-CD 4.47Å; W388-K392 WeakPolarHBondContact O-CB 3.03Å; W388-K392 VanDerWaalsContact O-CG 3.3Å; W388-K392 WeakPolarHBondContact O-CG 3.5Å; W388-K392 PolarHBondContact O-N 3.36Å; W388-K392 VanDerWaalsContact O-N 3.07Å; A389-K392 PolarHBondContact O-N 3.03Å; Y390-K392 PolarHBondContact O-N 3.45Å; K392-H394 VanDerWaalsContact CB-CD2 3.48Å; K392-H394 WeakPolarHBondContact CB-CD2 3.32Å; K392-H394 WeakPolarHBondContact CB-NE2 3.32Å |
| 393 | G | 71.6 | Confident | 79.3 | Confident | 34 Ų | 34 | 45.4 Ų | 45.4 | 35% | 0.351 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 24 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | A389 Y390 D395 | A389-G393 PolarHBondContact O-N 3.44Å; A389-G393 VanDerWaalsContact O-N 3.14Å; Y390-G393 PolarHBondContact O-N 3.27Å; Y390-G393 VanDerWaalsContact O-N 3.09Å; G393-D395 PolarHBondContact O-N 3.12Å |
| 394 | H | 78.6 | Confident | 79.3 | Confident | 52 Ų | 52 | 46.6 Ų | 46.6 | 24% | 0.241 | 24% | 0.243 | C | C | . | . | trans | -83.3 | 67.4 | 177.7 | -60.5 | -52.9 | 0 | 0 | 0 | 110.7 | C348 F349 G351 A389 K392 A396 I397 V398 | C348-H394 PolarHBondContact O-CD2 3.23Å; F349-H394 PolarHBondContact O-NE2 3.25Å; G351-H394 VanDerWaalsContact CA-CE1 3.47Å; G351-H394 WeakPolarHBondContact CA-CE1 3.2Å; G351-H394 WeakPolarHBondContact CA-NE2 3.42Å; G351-H394 PolarHBondContact N-NE2 3.04Å; A389-H394 HydrophobicContact CB-CB 4.43Å; A389-H394 PolarHBondContact O-N 3.08Å; K392-H394 VanDerWaalsContact CB-CD2 3.48Å; K392-H394 WeakPolarHBondContact CB-CD2 3.32Å; K392-H394 WeakPolarHBondContact CB-NE2 3.32Å; H394-A396 PolarHBondContact O-N 3.36Å; H394-A396 VanDerWaalsContact O-N 3.15Å; H394-I397 HydrophobicContact CB-CB 4.03Å; H394-I397 HydrophobicContact CB-CD1 3.99Å; H394-I397 HydrophobicContact CB-CG1 4.25Å; H394-I397 WeakPolarHBondContact O-CA 3.28Å; H394-I397 WeakPolarHBondContact O-CB 3.45Å; H394-I397 PolarHBondContact O-N 2.94Å; H394-V398 WeakPolarHBondContact O-CG2 3.49Å; H394-V398 PolarHBondContact O-N 3.1Å | ||
| 395 | D | 75.3 | Confident | 78.9 | Confident | 87 Ų | 87 | 54.4 Ų | 54.4 | 47% | 0.465 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57.7 | -33.4 | -170.5 | -66.5 | -33.5 | 0 | 0 | 0 | 113.2 | G393 V398 T399 K433 | G393-D395 PolarHBondContact O-N 3.12Å; D395-V398 PolarHBondContact O-N 2.78Å; D395-T399 WeakPolarHBondContact O-CB 3.48Å; D395-T399 PolarHBondContact O-N 3Å; D395-T399 PolarHBondContact O-OG1 3.46Å; D395-K433 IonicContact OD1-NZ 2.98Å |
| 396 | A | 75.1 | Confident | 78 | Confident | 62 Ų | 62 | 60.2 Ų | 60.2 | 51% | 0.512 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.1 | -38.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I353 H394 L400 | I353-A396 HydrophobicContact CD1-CB 3.8Å; H394-A396 PolarHBondContact O-N 3.36Å; H394-A396 VanDerWaalsContact O-N 3.15Å; A396-L400 WeakPolarHBondContact O-CB 3.45Å; A396-L400 PolarHBondContact O-N 3.38Å |
| 397 | I | 84.1 | Confident | 76.8 | Confident | 3 Ų | 3 | 64.1 Ų | 64.1 | 2% | 0.015 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -72.1 | -41.4 | 175.5 | -66.5 | 177.2 | 0 | 0 | 0 | 110.4 | C348 G351 I353 V356 A389 H394 T399 L400 L401 | C348-I397 HydrophobicContact CB-CG2 4.41Å; G351-I397 VanDerWaalsContact C-CD1 3.44Å; I353-I397 HydrophobicContact CB-CD1 4.27Å; I353-I397 HydrophobicContact CB-CG1 3.87Å; I353-I397 HydrophobicContact CD1-CG1 4.42Å; I353-I397 HydrophobicContact CG1-CG1 4.01Å; V356-I397 HydrophobicContact CG1-CG2 4.18Å; V356-I397 HydrophobicContact CG2-CD1 4.11Å; V356-I397 HydrophobicContact CG2-CG2 4.18Å; A389-I397 HydrophobicContact CB-CB 4.26Å; A389-I397 HydrophobicContact CB-CG2 3.69Å; H394-I397 HydrophobicContact CB-CB 4.03Å; H394-I397 HydrophobicContact CB-CD1 3.99Å; H394-I397 HydrophobicContact CB-CG1 4.25Å; H394-I397 WeakPolarHBondContact O-CA 3.28Å; H394-I397 WeakPolarHBondContact O-CB 3.45Å; H394-I397 PolarHBondContact O-N 2.94Å; I397-T399 VanDerWaalsContact C-N 3.27Å; I397-T399 PolarHBondContact O-N 3.09Å; I397-L400 WeakPolarHBondContact O-CB 3.34Å; I397-L400 PolarHBondContact O-N 3.02Å; I397-L401 HydrophobicContact CG2-CD1 3.84Å; I397-L401 HydrophobicContact CG2-CG 4.24Å; I397-L401 WeakPolarHBondContact O-CB 3.39Å; I397-L401 WeakPolarHBondContact O-CG 3.44Å; I397-L401 PolarHBondContact O-N 3.37Å |
| 398 | V | 80.7 | Confident | 75.5 | Confident | 10 Ų | 10 | 69.7 Ų | 69.7 | 6% | 0.061 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.4 | -43.8 | 173.9 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | L386 A389 Y390 H394 D395 K402 | L386-V398 HydrophobicContact CD1-CB 4.32Å; L386-V398 HydrophobicContact CD1-CG1 3.95Å; L386-V398 HydrophobicContact CD1-CG2 4.44Å; A389-V398 HydrophobicContact CB-CG2 3.92Å; Y390-V398 HydrophobicContact CD2-CG1 4.47Å; Y390-V398 HydrophobicContact CD2-CG2 4.47Å; H394-V398 WeakPolarHBondContact O-CG2 3.49Å; H394-V398 PolarHBondContact O-N 3.1Å; D395-V398 PolarHBondContact O-N 2.78Å; V398-K402 HydrophobicContact CG1-CD 4.28Å; V398-K402 WeakPolarHBondContact O-CB 3.3Å; V398-K402 WeakPolarHBondContact O-CG 3.44Å; V398-K402 PolarHBondContact O-N 3.26Å |
| 399 | T | 79 | Confident | 73.9 | Confident | 77 Ų | 77 | 75.1 Ų | 75.1 | 47% | 0.472 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.3 | -45 | 177.4 | -57.5 | 0 | 0 | 0 | 0 | 110.9 | D395 I397 K402 H403 | D395-T399 WeakPolarHBondContact O-CB 3.48Å; D395-T399 PolarHBondContact O-N 3Å; D395-T399 PolarHBondContact O-OG1 3.46Å; I397-T399 VanDerWaalsContact C-N 3.27Å; I397-T399 PolarHBondContact O-N 3.09Å; T399-K402 PolarHBondContact O-N 3.5Å; T399-H403 PolarHBondContact O-N 3.3Å; T399-H403 PolarHBondContact O-ND1 3.45Å |
| 400 | L | 83.2 | Confident | 71.9 | Confident | 32 Ų | 32 | 79.4 Ų | 79.4 | 17% | 0.168 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -56.6 | -55.8 | 175.4 | 173.5 | 60.2 | 0 | 0 | 0 | 111 | I353 V356 Q357 L360 A396 I397 K402 H403 Y404 | I353-L400 HydrophobicContact CG1-CD2 4.17Å; V356-L400 HydrophobicContact CB-CD2 4.45Å; V356-L400 HydrophobicContact CG1-CD2 3.87Å; Q357-L400 HydrophobicContact CB-CD2 4.23Å; L360-L400 HydrophobicContact CD1-CD2 4.38Å; L360-L400 HydrophobicContact CD1-CG 4.34Å; A396-L400 WeakPolarHBondContact O-CB 3.45Å; A396-L400 PolarHBondContact O-N 3.38Å; I397-L400 WeakPolarHBondContact O-CB 3.34Å; I397-L400 PolarHBondContact O-N 3.02Å; L400-K402 VanDerWaalsContact C-N 3.29Å; L400-K402 PolarHBondContact O-N 2.79Å; L400-H403 PolarHBondContact O-N 3.32Å; L400-H403 VanDerWaalsContact O-N 3.15Å; L400-Y404 HydrophobicContact CD1-CD2 4.2Å; L400-Y404 VanDerWaalsContact O-CB 3.27Å; L400-Y404 WeakPolarHBondContact O-CB 3.35Å; L400-Y404 PolarHBondContact O-N 3.28Å |
| 401 | L | 85.2 | Confident | 70.4 | Confident | 6 Ų | 6 | 83.7 Ų | 83.7 | 3% | 0.031 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -59.3 | -36.7 | -177.7 | -72.1 | 170.3 | 0 | 0 | 0 | 112.9 | V356 L360 M366 L386 A389 I397 | V356-L401 HydrophobicContact CG1-CD2 4.29Å; L360-L401 HydrophobicContact CD1-CD2 3.88Å; L360-L401 HydrophobicContact CD2-CD2 4.2Å; M366-L401 HydrophobicContact CB-CD2 4.2Å; M366-L401 HydrophobicContact CE-CD2 4.26Å; L386-L401 HydrophobicContact CB-CD1 4.12Å; L386-L401 HydrophobicContact CD1-CB 3.83Å; L386-L401 HydrophobicContact CD1-CD1 4.02Å; A389-L401 HydrophobicContact CB-CD1 4.39Å; I397-L401 HydrophobicContact CG2-CD1 3.84Å; I397-L401 HydrophobicContact CG2-CG 4.24Å; I397-L401 WeakPolarHBondContact O-CB 3.39Å; I397-L401 WeakPolarHBondContact O-CG 3.44Å; I397-L401 PolarHBondContact O-N 3.37Å |
| 402 | K | 81.3 | Confident | 68.8 | Low | 107 Ų | 107 | 83.4 Ų | 83.4 | 47% | 0.465 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -69.5 | -30.9 | 178.2 | -78 | -178 | 177 | -172.7 | 0 | 114.3 | L386 V398 T399 L400 | L386-K402 HydrophobicContact CD1-CG 4.33Å; V398-K402 HydrophobicContact CG1-CD 4.28Å; V398-K402 WeakPolarHBondContact O-CB 3.3Å; V398-K402 WeakPolarHBondContact O-CG 3.44Å; V398-K402 PolarHBondContact O-N 3.26Å; T399-K402 PolarHBondContact O-N 3.5Å; L400-K402 VanDerWaalsContact C-N 3.29Å; L400-K402 PolarHBondContact O-N 2.79Å |
| 403 | H | 80.8 | Confident | 67.1 | Low | 141 Ų | 141 | 85.3 Ų | 85.3 | 65% | 0.653 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -111.4 | 1.7 | -173.2 | -58.2 | 91.6 | 0 | 0 | 0 | 112.8 | T399 L400 K405 | T399-H403 PolarHBondContact O-N 3.3Å; T399-H403 PolarHBondContact O-ND1 3.45Å; L400-H403 PolarHBondContact O-N 3.32Å; L400-H403 VanDerWaalsContact O-N 3.15Å; H403-K405 PolarHBondContact O-N 2.69Å |
| 404 | Y | 81.9 | Confident | 65.3 | Low | 35 Ų | 35 | 92.2 Ų | 92.2 | 14% | 0.137 | 49% | 0.494 | C | S | . | . | trans | -67 | 126.5 | 179.7 | -174.8 | -93.8 | 0 | 0 | 0 | 110.4 | L360 D361 M366 L400 R406 P407 | L360-Y404 HydrophobicContact CB-CD1 4.25Å; L360-Y404 HydrophobicContact CB-CD2 4.1Å; L360-Y404 HydrophobicContact CB-CE1 3.8Å; L360-Y404 HydrophobicContact CB-CE2 3.64Å; L360-Y404 HydrophobicContact CB-CG 4.4Å; L360-Y404 VanDerWaalsContact CB-CZ 3.49Å; L360-Y404 HydrophobicContact CD1-CD1 4.35Å; L360-Y404 HydrophobicContact CD1-CD2 3.82Å; L360-Y404 HydrophobicContact CD1-CE2 4.2Å; L360-Y404 HydrophobicContact CD1-CG 3.91Å; L360-Y404 HydrophobicContact CD2-CD1 4.45Å; L360-Y404 PolarHBondContact O-OH 3.33Å; D361-Y404 VanDerWaalsContact CA-OH 3.23Å; D361-Y404 WeakPolarHBondContact CA-OH 3.26Å; D361-Y404 PolarHBondContact N-OH 3.28Å; D361-Y404 VanDerWaalsContact N-OH 3.17Å; D361-Y404 VanDerWaalsContact OD1-CE2 3.26Å; D361-Y404 WeakPolarHBondContact OD1-CE2 3.46Å; D361-Y404 PolarHBondContact OD1-OH 3.2Å; M366-Y404 HydrophobicContact CE-CD1 3.71Å; M366-Y404 HydrophobicContact CE-CG 4.15Å; L400-Y404 HydrophobicContact CD1-CD2 4.2Å; L400-Y404 VanDerWaalsContact O-CB 3.27Å; L400-Y404 WeakPolarHBondContact O-CB 3.35Å; L400-Y404 PolarHBondContact O-N 3.28Å; Y404-R406 HydrophobicContact CE1-CG 3.96Å; Y404-P407 WeakPolarHBondContact OH-CD 3.27Å | ||
| 405 | K | 76.6 | Confident | 63.4 | Low | 178 Ų | 178 | 99.9 Ų | 99.9 | 77% | 0.774 | 52% | 0.522 | S | S | * | . | trans | -117.7 | 134.7 | 170 | -67.6 | -174.6 | 176.7 | -174.5 | 0 | 107.8 | H403 | H403-K405 PolarHBondContact O-N 2.69Š| ||
| 406 | R | 67.1 | Low | 61.5 | Low | 121 Ų | 121 | 100.7 Ų | 100.7 | 46% | 0.457 | 54% | 0.535 | S | S | . | . | trans | -64.1 | 136.3 | 178.9 | -79.7 | -177 | 177.4 | 169.1 | 1.1 | 109.3 | Y404 D408 D409 | Y404-R406 HydrophobicContact CE1-CG 3.96Å; R406-D408 PolarHBondContact O-N 3.5Å; R406-D408 VanDerWaalsContact O-N 3.11Å; R406-D409 PolarHBondContact O-N 3.24Å; R406-D409 VanDerWaalsContact O-N 3.15Å | ||
| 407 | P | 57 | Low | 59.3 | Low | 97 Ų | 97 | 106.2 Ų | 106.2 | 63% | 0.63 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | -24.5 | -179.7 | -26 | 33.4 | 0 | 0 | 0 | 114.8 | Y404 | Y404-P407 WeakPolarHBondContact OH-CD 3.27Š|
| 408 | D | 52.9 | Low | 57.1 | Low | 158 Ų | 158 | 112.8 Ų | 112.8 | 85% | 0.845 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -0.1 | -178.9 | -70.8 | -26.8 | 0 | 0 | 0 | 114.6 | R406 S410 | R406-D408 PolarHBondContact O-N 3.5Å; R406-D408 VanDerWaalsContact O-N 3.11Å; D408-S410 VanDerWaalsContact C-N 3.33Å; D408-S410 PolarHBondContact O-N 3.08Å |
| 409 | D | 47.1 | Very low | 55 | Low | 120 Ų | 120 | 116 Ų | 116 | 64% | 0.642 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -74 | 90.3 | 168.1 | -78.1 | -28.9 | 0 | 0 | 0 | 108.7 | R406 | R406-D409 PolarHBondContact O-N 3.24Å; R406-D409 VanDerWaalsContact O-N 3.15Å |
| 410 | S | 36.5 | Very low | 52.7 | Low | 89 Ų | 89 | 115.5 Ų | 115.5 | 62% | 0.622 | 64% | 0.638 | S | S | * | * | trans | -49.2 | 141.5 | 176.3 | 73 | 0 | 0 | 0 | 0 | 111.2 | D408 C412 | D408-S410 VanDerWaalsContact C-N 3.33Å; D408-S410 PolarHBondContact O-N 3.08Å; S410-C412 PolarHBondContact O-N 3.24Å | ||
| 411 | P | 40.7 | Very low | 50.2 | Low | 133 Ų | 133 | 122 Ų | 122 | 86% | 0.864 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -79.3 | 69.8 | -179.5 | 33.6 | -33.5 | 0 | 0 | 0 | 109.7 | ||
| 412 | C | 38.4 | Very low | 47.7 | Very low | 103 Ų | 103 | 124.9 Ų | 124.9 | 70% | 0.696 | 70% | 0.704 | S | S | * | * | trans | -148.4 | 78.5 | 174.8 | -84.8 | 0 | 0 | 0 | 0 | 110 | S410 | S410-C412 PolarHBondContact O-N 3.24Š| ||
| 413 | N | 35 | Very low | 45.5 | Very low | 147 Ų | 147 | 125 Ų | 125 | 79% | 0.786 | 72% | 0.719 | S | S | * | * | trans | -176.3 | 59.7 | 139.8 | -98 | -5 | 0 | 0 | 0 | 109.4 | ||||
| 414 | E | 35.1 | Very low | 43.4 | Very low | 179 Ų | 179 | 127.8 Ų | 127.8 | 84% | 0.836 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -75.5 | 127.5 | 145.7 | -74.7 | -175 | 166.6 | 0 | 0 | 105.9 | ||
| 415 | Y | 39.2 | Very low | 41.3 | Very low | 212 Ų | 212 | 129.1 Ų | 129.1 | 83% | 0.831 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 80.2 | 79.1 | -173.6 | -59.1 | -88.6 | 0 | 0 | 0 | 116.5 | ||
| 416 | S | 34.5 | Very low | 39.4 | Very low | 105 Ų | 105 | 125.2 Ų | 125.2 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | -171.1 | 127.8 | 129 | -81.6 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 417 | Q | 29.8 | Very low | 38.2 | Very low | 178 Ų | 178 | 120.9 Ų | 120.9 | 83% | 0.832 | 72% | 0.719 | S | S | * | * | trans | 95.9 | 111.8 | 166.7 | -53.2 | -132.5 | -5.6 | 0 | 0 | 118.4 | G419 | Q417-G419 PolarHBondContact O-N 2.89Š| ||
| 418 | P | 37.3 | Very low | 37.4 | Very low | 141 Ų | 141 | 118.9 Ų | 118.9 | 92% | 0.916 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -83.9 | 103.5 | 161.2 | 32 | -23.6 | 0 | 0 | 0 | 108.5 | ||
| 419 | G | 36 | Very low | 36.8 | Very low | 77 Ų | 77 | 114.1 Ų | 114.1 | 79% | 0.794 | 68% | 0.684 | S | S | * | * | trans | 134.2 | 55.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q417 | Q417-G419 PolarHBondContact O-N 2.89Š| ||
| 420 | G | 30.5 | Very low | 36.5 | Very low | 67 Ų | 67 | 112.2 Ų | 112.2 | 69% | 0.691 | 68% | 0.679 | S | S | * | * | trans | -139.8 | 114 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | G422 | G420-G422 PolarHBondContact O-N 2.97Š| ||
| 421 | D | 31.6 | Very low | 36.6 | Very low | 169 Ų | 169 | 112.1 Ų | 112.1 | 90% | 0.904 | 67% | 0.671 | S | S | * | * | trans | -48.4 | 105.3 | 174 | -89.1 | -36.5 | 0 | 0 | 0 | 109.9 | S423 | D421-S423 PolarHBondContact O-N 3.38Å; D421-S423 VanDerWaalsContact O-N 3.13Å | ||
| 422 | G | 32 | Very low | 36.5 | Very low | 66 Ų | 66 | 107.9 Ų | 107.9 | 68% | 0.68 | 65% | 0.651 | S | S | * | * | trans | -60.1 | 114.7 | 155.5 | 0 | 0 | 0 | 0 | 0 | 105.7 | G420 Y424 | G420-G422 PolarHBondContact O-N 2.97Å; G422-Y424 PolarHBondContact O-N 2.98Å | ||
| 423 | S | 34.4 | Very low | 36.5 | Very low | 110 Ų | 110 | 107.5 Ų | 107.5 | 77% | 0.769 | 64% | 0.638 | S | S | * | * | trans | -62.2 | 82.9 | 178.9 | 49.4 | 0 | 0 | 0 | 0 | 109.4 | D421 V425 | D421-S423 PolarHBondContact O-N 3.38Å; D421-S423 VanDerWaalsContact O-N 3.13Å; S423-V425 VanDerWaalsContact C-N 3.29Å; S423-V425 PolarHBondContact O-N 3.45Å | ||
| 424 | Y | 37.6 | Very low | 36.6 | Very low | 198 Ų | 198 | 104.6 Ų | 104.6 | 78% | 0.776 | 62% | 0.621 | S | S | * | * | trans | -61.5 | 97.3 | 165.7 | -162 | -92 | 0 | 0 | 0 | 105.1 | G422 S426 | G422-Y424 PolarHBondContact O-N 2.98Å; Y424-S426 VanDerWaalsContact C-N 3.26Å; Y424-S426 PolarHBondContact O-N 3.06Å | ||
| 425 | V | 37.8 | Very low | 36.9 | Very low | 64 Ų | 64 | 102.5 Ų | 102.5 | 39% | 0.388 | 61% | 0.609 | S | S | . | * | trans | -59.6 | 101.6 | 168.8 | 178 | 0 | 0 | 0 | 0 | 105 | L386 S423 V427 | L386-V425 HydrophobicContact CD2-CG1 4.43Å; S423-V425 VanDerWaalsContact C-N 3.29Å; S423-V425 PolarHBondContact O-N 3.45Å; V425-V427 VanDerWaalsContact C-N 3.3Å; V425-V427 PolarHBondContact O-N 2.87Å | ||
| 426 | S | 37.8 | Very low | 37.2 | Very low | 96 Ų | 96 | 93.4 Ų | 93.4 | 67% | 0.671 | 58% | 0.577 | S | S | * | * | trans | -61.8 | 96.7 | 178.9 | 43 | 0 | 0 | 0 | 0 | 107.4 | Y424 | Y424-S426 VanDerWaalsContact C-N 3.26Å; Y424-S426 PolarHBondContact O-N 3.06Å | ||
| 427 | V | 40.4 | Very low | 37.9 | Very low | 30 Ų | 30 | 94.5 Ų | 94.5 | 18% | 0.182 | 57% | 0.572 | C | S | . | * | trans | -51.6 | 136.6 | 164.3 | -123.4 | 0 | 0 | 0 | 0 | 106.6 | L386 V425 S429 | L386-V427 HydrophobicContact CD2-CG1 4.11Å; L386-V427 HydrophobicContact CG-CG1 4.31Å; V425-V427 VanDerWaalsContact C-N 3.3Å; V425-V427 PolarHBondContact O-N 2.87Å; V427-S429 PolarHBondContact O-N 3Å; V427-S429 VanDerWaalsContact O-N 3.11Å | ||
| 428 | P | 41.6 | Very low | 39.2 | Very low | 54 Ų | 54 | 89.6 Ų | 89.6 | 35% | 0.351 | 55% | 0.554 | S | S | . | * | trans | -44.9 | 128.4 | 169 | -28.1 | 34.7 | 0 | 0 | 0 | 108.4 | M387 | M387-P428 HydrophobicContact CE-CG 3.62Å; M387-P428 HydrophobicContact CG-CG 4.12Å | ||
| 429 | S | 39.9 | Very low | 40.4 | Very low | 58 Ų | 58 | 89.1 Ų | 89.1 | 41% | 0.406 | 54% | 0.538 | S | S | . | . | trans | -43.1 | 144.9 | -173.9 | 58.7 | 0 | 0 | 0 | 0 | 111.3 | V427 L431 G432 | V427-S429 PolarHBondContact O-N 3Å; V427-S429 VanDerWaalsContact O-N 3.11Å; S429-L431 PolarHBondContact O-N 3.22Å; S429-L431 VanDerWaalsContact OG-CB 3.31Å; S429-L431 WeakPolarHBondContact OG-CB 3.39Å; S429-G432 PolarHBondContact O-N 2.91Å | ||
| 430 | P | 41.1 | Very low | 41.9 | Very low | 81 Ų | 81 | 87.8 Ų | 87.8 | 53% | 0.526 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -12.5 | 176.1 | 22.7 | -32.1 | 0 | 0 | 0 | 112.2 | G432 K433 I434 | P430-G432 PolarHBondContact O-N 2.93Å; P430-G432 VanDerWaalsContact O-N 3.16Å; P430-K433 PolarHBondContact O-N 3.27Å; P430-I434 HydrophobicContact CB-CD1 3.86Å; P430-I434 HydrophobicContact CG-CD1 4.47Å; P430-I434 WeakPolarHBondContact O-CB 3.43Å; P430-I434 WeakPolarHBondContact O-CG1 3.47Å; P430-I434 PolarHBondContact O-N 3.2Å |
| 431 | L | 38.8 | Very low | 43.8 | Very low | 86 Ų | 86 | 91.5 Ų | 91.5 | 45% | 0.45 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -53 | -18.6 | 165 | -58.6 | 163.8 | 0 | 0 | 0 | 114.5 | S429 K435 | S429-L431 PolarHBondContact O-N 3.22Å; S429-L431 VanDerWaalsContact OG-CB 3.31Å; S429-L431 WeakPolarHBondContact OG-CB 3.39Å; L431-K435 HydrophobicContact CB-CD 4.22Å; L431-K435 HydrophobicContact CB-CG 4.23Å; L431-K435 VanDerWaalsContact O-CA 3.29Å; L431-K435 WeakPolarHBondContact O-CA 3.39Å; L431-K435 WeakPolarHBondContact O-CB 3.41Å; L431-K435 WeakPolarHBondContact O-CD 3.37Å; L431-K435 WeakPolarHBondContact O-CG 3.34Å; L431-K435 PolarHBondContact O-N 2.96Å |
| 432 | G | 38.3 | Very low | 45.6 | Very low | 44 Ų | 44 | 85.7 Ų | 85.7 | 45% | 0.454 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.7 | -54 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S429 P430 S436 | S429-G432 PolarHBondContact O-N 2.91Å; P430-G432 PolarHBondContact O-N 2.93Å; P430-G432 VanDerWaalsContact O-N 3.16Å; G432-S436 PolarHBondContact O-N 3.26Å |
| 433 | K | 37.7 | Very low | 47.6 | Very low | 96 Ų | 96 | 85 Ų | 85 | 42% | 0.417 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -70.8 | -40.8 | 176.3 | -156.4 | 171.1 | -176.2 | 176.3 | 0 | 110.6 | D395 P430 S436 M437 | D395-K433 IonicContact OD1-NZ 2.98Å; P430-K433 PolarHBondContact O-N 3.27Å; K433-S436 PolarHBondContact O-N 3.06Å; K433-M437 WeakPolarHBondContact O-CB 3.28Å; K433-M437 WeakPolarHBondContact O-CG 3.28Å; K433-M437 PolarHBondContact O-N 3.43Å |
| 434 | I | 38.1 | Very low | 49.8 | Very low | 85 Ų | 85 | 80.4 Ų | 80.4 | 44% | 0.436 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.9 | -45.3 | 174.5 | -65.9 | 171.5 | 0 | 0 | 0 | 111.1 | P430 S436 M437 T438 | P430-I434 HydrophobicContact CB-CD1 3.86Å; P430-I434 HydrophobicContact CG-CD1 4.47Å; P430-I434 WeakPolarHBondContact O-CB 3.43Å; P430-I434 WeakPolarHBondContact O-CG1 3.47Å; P430-I434 PolarHBondContact O-N 3.2Å; I434-S436 VanDerWaalsContact C-N 3.29Å; I434-S436 PolarHBondContact O-N 2.9Å; I434-M437 PolarHBondContact O-N 3Å; I434-T438 HydrophobicContact CG2-CG2 3.68Å; I434-T438 WeakPolarHBondContact O-CA 3.29Å; I434-T438 VanDerWaalsContact O-CB 3.28Å; I434-T438 WeakPolarHBondContact O-CB 3.12Å; I434-T438 VanDerWaalsContact O-CG2 3.28Å; I434-T438 WeakPolarHBondContact O-CG2 2.86Å; I434-T438 PolarHBondContact O-N 2.55Å; I434-T438 PolarHBondContact O-OG1 3.41Å |
| 435 | K | 40.9 | Very low | 51.9 | Low | 135 Ų | 135 | 75.2 Ų | 75.2 | 59% | 0.587 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -61.4 | -36.9 | 176.5 | -77 | 168.5 | 176.2 | 179.9 | 0 | 111.7 | L431 T438 K439 | L431-K435 HydrophobicContact CB-CD 4.22Å; L431-K435 HydrophobicContact CB-CG 4.23Å; L431-K435 VanDerWaalsContact O-CA 3.29Å; L431-K435 WeakPolarHBondContact O-CA 3.39Å; L431-K435 WeakPolarHBondContact O-CB 3.41Å; L431-K435 WeakPolarHBondContact O-CD 3.37Å; L431-K435 WeakPolarHBondContact O-CG 3.34Å; L431-K435 PolarHBondContact O-N 2.96Å; K435-T438 WeakPolarHBondContact CA-OG1 3.32Å; K435-T438 PolarHBondContact O-OG1 3.49Å; K435-K439 WeakPolarHBondContact O-CB 3.01Å; K435-K439 PolarHBondContact O-N 2.95Å |
| 436 | S | 44.3 | Very low | 54 | Low | 22 Ų | 22 | 76.9 Ų | 76.9 | 15% | 0.154 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -64.6 | -54.2 | 174 | -163.5 | 0 | 0 | 0 | 0 | 111.3 | G432 K433 I434 T438 K439 E440 K499 | G432-S436 PolarHBondContact O-N 3.26Å; K433-S436 PolarHBondContact O-N 3.06Å; I434-S436 VanDerWaalsContact C-N 3.29Å; I434-S436 PolarHBondContact O-N 2.9Å; S436-T438 PolarHBondContact O-N 2.98Å; S436-K439 PolarHBondContact O-N 3.29Å; S436-E440 WeakPolarHBondContact O-CG 3.39Å; S436-E440 PolarHBondContact O-N 2.8Å; S436-E440 PolarHBondContact OG-OE1 3.5Å; S436-K499 WeakPolarHBondContact OG-CE 3.33Å; S436-K499 VanDerWaalsContact OG-CG 3.32Å; S436-K499 WeakPolarHBondContact OG-CG 3.01Å |
| 437 | M | 49.5 | Very low | 56.3 | Low | 128 Ų | 128 | 72.6 Ų | 72.6 | 63% | 0.631 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -66.4 | -33.9 | -180 | -76.6 | -172 | 66 | 0 | 0 | 113.3 | K433 I434 K441 | K433-M437 WeakPolarHBondContact O-CB 3.28Å; K433-M437 WeakPolarHBondContact O-CG 3.28Å; K433-M437 PolarHBondContact O-N 3.43Å; I434-M437 PolarHBondContact O-N 3Å; M437-K441 WeakPolarHBondContact O-CB 3.38Å; M437-K441 PolarHBondContact O-N 2.98Å |
| 438 | T | 57.3 | Low | 58.5 | Low | 74 Ų | 74 | 75.2 Ų | 75.2 | 45% | 0.454 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -74.9 | -32.4 | 175.3 | 55.7 | 0 | 0 | 0 | 0 | 111.6 | I434 K435 S436 A442 | I434-T438 HydrophobicContact CG2-CG2 3.68Å; I434-T438 WeakPolarHBondContact O-CA 3.29Å; I434-T438 VanDerWaalsContact O-CB 3.28Å; I434-T438 WeakPolarHBondContact O-CB 3.12Å; I434-T438 VanDerWaalsContact O-CG2 3.28Å; I434-T438 WeakPolarHBondContact O-CG2 2.86Å; I434-T438 PolarHBondContact O-N 2.55Å; I434-T438 PolarHBondContact O-OG1 3.41Å; K435-T438 WeakPolarHBondContact CA-OG1 3.32Å; K435-T438 PolarHBondContact O-OG1 3.49Å; S436-T438 PolarHBondContact O-N 2.98Å; T438-A442 WeakPolarHBondContact O-CA 3.22Å; T438-A442 WeakPolarHBondContact O-CB 3.49Å; T438-A442 PolarHBondContact O-N 3.38Å |
| 439 | K | 63.8 | Low | 60.4 | Low | 132 Ų | 132 | 76.8 Ų | 76.8 | 57% | 0.574 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -65.4 | -52.2 | 173.9 | 179.4 | 179.2 | 170.7 | -179.9 | 0 | 110.4 | K435 S436 K441 A442 E443 | K435-K439 WeakPolarHBondContact O-CB 3.01Å; K435-K439 PolarHBondContact O-N 2.95Å; S436-K439 PolarHBondContact O-N 3.29Å; K439-K441 PolarHBondContact O-N 3.44Å; K439-A442 PolarHBondContact O-N 3.3Å; K439-A442 VanDerWaalsContact O-N 3.15Å; K439-E443 WeakPolarHBondContact CE-OE1 2.85Å; K439-E443 WeakPolarHBondContact CG-OE1 3.36Å; K439-E443 IonicContact NZ-OE1 3.51Å; K439-E443 WeakPolarHBondContact O-CG 3.44Å; K439-E443 PolarHBondContact O-N 2.71Å |
| 440 | E | 66.5 | Low | 62.7 | Low | 48 Ų | 48 | 77.9 Ų | 77.9 | 22% | 0.224 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 178.4 | -70.4 | 162.6 | -154.2 | 0 | 0 | 111.4 | S436 A442 E443 V444 V502 | S436-E440 WeakPolarHBondContact O-CG 3.39Å; S436-E440 PolarHBondContact O-N 2.8Å; S436-E440 PolarHBondContact OG-OE1 3.5Å; E440-A442 PolarHBondContact O-N 3.24Å; E440-E443 PolarHBondContact O-N 3.28Å; E440-V444 VanDerWaalsContact O-CG2 3.29Å; E440-V444 WeakPolarHBondContact O-CG2 2.82Å; E440-V444 PolarHBondContact O-N 3.39Å; E440-V444 VanDerWaalsContact O-N 3.08Å; E440-V502 HydrophobicContact CB-CB 4.42Å; E440-V502 HydrophobicContact CB-CG1 4.17Å; E440-V502 HydrophobicContact CG-CB 4.4Å |
| 441 | K | 69.7 | Low | 65 | Low | 146 Ų | 146 | 74.4 Ų | 74.4 | 64% | 0.635 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -66.2 | -36.1 | 175.7 | -168.7 | 172.2 | -176.2 | 175.6 | 0 | 112.5 | M437 K439 L445 | M437-K441 WeakPolarHBondContact O-CB 3.38Å; M437-K441 PolarHBondContact O-N 2.98Å; K439-K441 PolarHBondContact O-N 3.44Å; K441-L445 HydrophobicContact CG-CD1 4.34Å; K441-L445 WeakPolarHBondContact O-CB 3.44Å; K441-L445 WeakPolarHBondContact O-CG 3.49Å; K441-L445 PolarHBondContact O-N 3.08Å |
| 442 | A | 70.3 | Confident | 67.6 | Low | 47 Ų | 47 | 72.9 Ų | 72.9 | 39% | 0.388 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67.7 | -42 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | T438 K439 E440 V444 L445 V446 | T438-A442 WeakPolarHBondContact O-CA 3.22Å; T438-A442 WeakPolarHBondContact O-CB 3.49Å; T438-A442 PolarHBondContact O-N 3.38Å; K439-A442 PolarHBondContact O-N 3.3Å; K439-A442 VanDerWaalsContact O-N 3.15Å; E440-A442 PolarHBondContact O-N 3.24Å; A442-V444 PolarHBondContact O-N 2.97Å; A442-L445 PolarHBondContact O-N 3.12Å; A442-V446 WeakPolarHBondContact O-CB 3.37Å; A442-V446 VanDerWaalsContact O-CG2 3.25Å; A442-V446 WeakPolarHBondContact O-CG2 3.35Å; A442-V446 PolarHBondContact O-N 3.28Å |
| 443 | E | 74.2 | Confident | 70 | Confident | 52 Ų | 52 | 75.8 Ų | 75.8 | 24% | 0.243 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 176.3 | -75.1 | 168.8 | -178.8 | 0 | 0 | 111.6 | K439 E440 L445 V446 L447 | K439-E443 WeakPolarHBondContact CE-OE1 2.85Å; K439-E443 WeakPolarHBondContact CG-OE1 3.36Å; K439-E443 IonicContact NZ-OE1 3.51Å; K439-E443 WeakPolarHBondContact O-CG 3.44Å; K439-E443 PolarHBondContact O-N 2.71Å; E440-E443 PolarHBondContact O-N 3.28Å; E443-L445 PolarHBondContact O-N 3.44Å; E443-V446 PolarHBondContact O-N 3Å; E443-L447 WeakPolarHBondContact O-CB 3.06Å; E443-L447 PolarHBondContact O-N 3.44Å |
| 444 | V | 81.4 | Confident | 72.5 | Confident | 12 Ų | 12 | 76.5 Ų | 76.5 | 7% | 0.073 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -63.9 | -40.7 | 175.6 | 176.1 | 0 | 0 | 0 | 0 | 111.5 | E440 A442 L447 R448 V502 F534 | E440-V444 VanDerWaalsContact O-CG2 3.29Å; E440-V444 WeakPolarHBondContact O-CG2 2.82Å; E440-V444 PolarHBondContact O-N 3.39Å; E440-V444 VanDerWaalsContact O-N 3.08Å; A442-V444 PolarHBondContact O-N 2.97Å; V444-L447 PolarHBondContact O-N 3.47Å; V444-R448 VanDerWaalsContact O-CB 3.32Å; V444-R448 WeakPolarHBondContact O-CB 3.44Å; V444-R448 PolarHBondContact O-N 3.04Å; V444-V502 HydrophobicContact CG2-CG1 3.43Å; V444-V502 VanDerWaalsContact CG2-CG1 3.43Å; V444-F534 HydrophobicContact CG1-CE1 4.3Å; V444-F534 HydrophobicContact CG1-CZ 4.07Å; V444-F534 HydrophobicContact CG2-CE2 4.33Å; V444-F534 HydrophobicContact CG2-CZ 3.66Å |
| 445 | L | 80.1 | Confident | 75.2 | Confident | 90 Ų | 90 | 74 Ų | 74 | 47% | 0.471 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.6 | -39.7 | 177.2 | -74.2 | 171.7 | 0 | 0 | 0 | 112.2 | K441 A442 E443 R448 A449 | K441-L445 HydrophobicContact CG-CD1 4.34Å; K441-L445 WeakPolarHBondContact O-CB 3.44Å; K441-L445 WeakPolarHBondContact O-CG 3.49Å; K441-L445 PolarHBondContact O-N 3.08Å; A442-L445 PolarHBondContact O-N 3.12Å; E443-L445 PolarHBondContact O-N 3.44Å; L445-R448 PolarHBondContact O-N 3.42Å; L445-A449 WeakPolarHBondContact O-CB 3.45Å; L445-A449 PolarHBondContact O-N 3.47Å |
| 446 | V | 82.1 | Confident | 77.7 | Confident | 99 Ų | 99 | 70.1 Ų | 70.1 | 60% | 0.6 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -64.5 | -43.5 | 174.7 | 169.2 | 0 | 0 | 0 | 0 | 110.4 | A442 E443 A449 S450 | A442-V446 WeakPolarHBondContact O-CB 3.37Å; A442-V446 VanDerWaalsContact O-CG2 3.25Å; A442-V446 WeakPolarHBondContact O-CG2 3.35Å; A442-V446 PolarHBondContact O-N 3.28Å; E443-V446 PolarHBondContact O-N 3Å; V446-A449 PolarHBondContact O-N 3.49Å; V446-S450 WeakPolarHBondContact O-CB 3.35Å; V446-S450 PolarHBondContact O-N 3.14Å; V446-S450 PolarHBondContact O-OG 3.34Å |
| 447 | L | 86.6 | Confident | 80 | Confident | 6 Ų | 6 | 69.3 Ų | 69.3 | 3% | 0.031 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.7 | -46.5 | 174.9 | 178.7 | 59.2 | 0 | 0 | 0 | 111.3 | E443 V444 A449 S450 L451 C506 V509 S510 L528 | E443-L447 WeakPolarHBondContact O-CB 3.06Å; E443-L447 PolarHBondContact O-N 3.44Å; V444-L447 PolarHBondContact O-N 3.47Å; L447-A449 VanDerWaalsContact C-N 3.27Å; L447-A449 PolarHBondContact O-N 3.07Å; L447-S450 WeakPolarHBondContact CA-OG 3.23Å; L447-S450 PolarHBondContact O-N 3.35Å; L447-S450 PolarHBondContact O-OG 2.92Å; L447-L451 HydrophobicContact CD1-CB 4.5Å; L447-L451 VanDerWaalsContact O-CB 3.24Å; L447-L451 WeakPolarHBondContact O-CB 3.43Å; L447-L451 PolarHBondContact O-N 3.01Å; L447-C506 HydrophobicContact CD2-CB 3.89Å; L447-V509 HydrophobicContact CD1-CB 4.49Å; L447-V509 HydrophobicContact CD1-CG1 4.04Å; L447-V509 HydrophobicContact CD2-CB 3.94Å; L447-V509 HydrophobicContact CD2-CG1 3.99Å; L447-V509 HydrophobicContact CG-CG1 4.39Å; L447-S510 WeakPolarHBondContact CD1-OG 3.5Å; L447-L528 HydrophobicContact CD2-CD2 4Å; L447-L528 HydrophobicContact CG-CD1 4.32Å |
| 448 | R | 85.4 | Confident | 81.9 | Confident | 84 Ų | 84 | 68.3 Ų | 68.3 | 32% | 0.317 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.5 | -38.3 | 177.2 | -168.5 | -176.3 | -61.3 | 176.9 | -0.5 | 112.1 | V444 L445 H456 L528 D529 | V444-R448 VanDerWaalsContact O-CB 3.32Å; V444-R448 WeakPolarHBondContact O-CB 3.44Å; V444-R448 PolarHBondContact O-N 3.04Å; L445-R448 PolarHBondContact O-N 3.42Å; R448-H456 PolarHBondContact O-CE1 3.36Å; R448-H456 PolarHBondContact O-NE2 3.23Å; R448-L528 HydrophobicContact CB-CD1 4.29Å; R448-L528 HydrophobicContact CG-CD1 4.5Å; R448-L528 PolarHBondContact NH2-O 3.15Å; R448-D529 PolarHBondContact NH2-O 3.3Å |
| 449 | A | 82.9 | Confident | 83.3 | Confident | 88 Ų | 88 | 66.7 Ų | 66.7 | 73% | 0.727 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -73.7 | -31.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L445 V446 L447 | L445-A449 WeakPolarHBondContact O-CB 3.45Å; L445-A449 PolarHBondContact O-N 3.47Å; V446-A449 PolarHBondContact O-N 3.49Å; L447-A449 VanDerWaalsContact C-N 3.27Å; L447-A449 PolarHBondContact O-N 3.07Å |
| 450 | S | 86.9 | Confident | 84.5 | Confident | 81 Ų | 81 | 65.3 Ų | 65.3 | 57% | 0.566 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -93.5 | -24 | -175.8 | 56.1 | 0 | 0 | 0 | 0 | 114 | V446 L447 | V446-S450 WeakPolarHBondContact O-CB 3.35Å; V446-S450 PolarHBondContact O-N 3.14Å; V446-S450 PolarHBondContact O-OG 3.34Å; L447-S450 WeakPolarHBondContact CA-OG 3.23Å; L447-S450 PolarHBondContact O-N 3.35Å; L447-S450 PolarHBondContact O-OG 2.92Å |
| 451 | L | 90.9 | Very high | 85.5 | Confident | 8 Ų | 8 | 65.9 Ų | 65.9 | 4% | 0.042 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -69.5 | 131.9 | 178 | -173 | 70.9 | 0 | 0 | 0 | 110 | L447 F455 H456 V509 C513 F523 L528 | L447-L451 HydrophobicContact CD1-CB 4.5Å; L447-L451 VanDerWaalsContact O-CB 3.24Å; L447-L451 WeakPolarHBondContact O-CB 3.43Å; L447-L451 PolarHBondContact O-N 3.01Å; L451-F455 HydrophobicContact CD1-CB 3.98Å; L451-F455 HydrophobicContact CD1-CD2 4.08Å; L451-F455 HydrophobicContact CD1-CG 4.4Å; L451-F455 HydrophobicContact CD2-CB 3.89Å; L451-F455 HydrophobicContact CG-CB 3.87Å; L451-H456 PolarHBondContact O-CE1 2.71Å; L451-V509 HydrophobicContact CD1-CG1 4.08Å; L451-V509 HydrophobicContact CD2-CG1 4.2Å; L451-C513 HydrophobicContact CD1-CB 3.58Å; L451-F523 HydrophobicContact CD1-CE1 4.28Å; L451-L528 HydrophobicContact CD2-CD1 3.7Å |
| 452 | P | 92.1 | Very high | 86.6 | Confident | 53 Ų | 53 | 59.5 Ų | 59.5 | 34% | 0.344 | 35% | 0.345 | S | S | . | . | trans | -55.6 | 142.5 | 173.8 | -28.8 | 34.7 | 0 | 0 | 0 | 113.2 | H454 F455 H456 | P452-H454 WeakPolarHBondContact CB-CE1 3.28Å; P452-H454 PolarHBondContact O-N 2.9Å; P452-H454 VanDerWaalsContact O-N 3.14Å; P452-F455 HydrophobicContact CB-CD2 3.92Å; P452-F455 HydrophobicContact CB-CE2 4.43Å; P452-F455 HydrophobicContact CG-CD2 3.98Å; P452-F455 HydrophobicContact CG-CE2 4.24Å; P452-F455 PolarHBondContact O-N 3.16Å; P452-H456 PolarHBondContact O-ND1 2.79Å | ||
| 453 | S | 89.5 | Confident | 87.7 | Confident | 105 Ų | 105 | 62.4 Ų | 62.4 | 73% | 0.734 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -58.9 | -29.6 | -175.6 | 57 | 0 | 0 | 0 | 0 | 113.9 | F455 H456 | S453-F455 VanDerWaalsContact C-N 3.25Å; S453-F455 PolarHBondContact O-N 2.79Å; S453-H456 WeakPolarHBondContact O-CB 3.12Å; S453-H456 PolarHBondContact O-N 3.34Å |
| 454 | H | 90.4 | Very high | 88.5 | Confident | 112 Ų | 112 | 63.6 Ų | 63.6 | 52% | 0.519 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -70.7 | -18.9 | 178.9 | 63.4 | -94.3 | 0 | 0 | 0 | 114 | P452 | P452-H454 WeakPolarHBondContact CB-CE1 3.28Å; P452-H454 PolarHBondContact O-N 2.9Å; P452-H454 VanDerWaalsContact O-N 3.14Å |
| 455 | F | 94.5 | Very high | 88.9 | Confident | 32 Ų | 32 | 67.5 Ų | 67.5 | 14% | 0.14 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -89.4 | -4.4 | 173.7 | -68.5 | -53 | 0 | 0 | 0 | 113.3 | L451 P452 S453 L457 C513 F523 V524 G525 A526 | L451-F455 HydrophobicContact CD1-CB 3.98Å; L451-F455 HydrophobicContact CD1-CD2 4.08Å; L451-F455 HydrophobicContact CD1-CG 4.4Å; L451-F455 HydrophobicContact CD2-CB 3.89Å; L451-F455 HydrophobicContact CG-CB 3.87Å; P452-F455 HydrophobicContact CB-CD2 3.92Å; P452-F455 HydrophobicContact CB-CE2 4.43Å; P452-F455 HydrophobicContact CG-CD2 3.98Å; P452-F455 HydrophobicContact CG-CE2 4.24Å; P452-F455 PolarHBondContact O-N 3.16Å; S453-F455 VanDerWaalsContact C-N 3.25Å; S453-F455 PolarHBondContact O-N 2.79Å; F455-L457 PolarHBondContact O-N 3.37Å; F455-C513 HydrophobicContact CD2-CB 4.32Å; F455-C513 HydrophobicContact CE2-CB 4.26Å; F455-F523 HydrophobicContact CB-CE1 3.93Å; F455-F523 AromaticContact CD1-CD1 3.64Å; F455-F523 HydrophobicContact CD1-CD1 3.64Å; F455-F523 AromaticContact CD1-CE1 3.72Å; F455-F523 HydrophobicContact CD1-CE1 3.72Å; F455-F523 HydrophobicContact CD2-CD1 4.43Å; F455-F523 HydrophobicContact CD2-CE1 4.26Å; F455-F523 AromaticContact CE1-CD1 3.71Å; F455-F523 HydrophobicContact CE1-CD1 3.71Å; F455-F523 HydrophobicContact CE1-CE1 4.26Å; F455-F523 HydrophobicContact CE2-CD1 4.48Å; F455-F523 HydrophobicContact CG-CD1 4.03Å; F455-F523 AromaticContact CG-CE1 3.73Å; F455-F523 HydrophobicContact CG-CE1 3.73Å; F455-F523 HydrophobicContact CZ-CD1 4.14Å; F455-V524 WeakPolarHBondContact CD1-O 3.32Å; F455-G525 CarbonylContact O-C 3.57Å; F455-G525 WeakPolarHBondContact O-CA 3.47Å; F455-A526 PolarHBondContact O-N 3.24Å |
| 456 | H | 92.8 | Very high | 89.4 | Confident | 54 Ų | 54 | 68.2 Ų | 68.2 | 25% | 0.25 | 38% | 0.376 | C | S | . | . | B | Isolated β-bridge | trans | -77.7 | 122.1 | 175.1 | -73.7 | 72.7 | 0 | 0 | 0 | 110.1 | R448 L451 P452 S453 | R448-H456 PolarHBondContact O-CE1 3.36Å; R448-H456 PolarHBondContact O-NE2 3.23Å; L451-H456 PolarHBondContact O-CE1 2.71Å; P452-H456 PolarHBondContact O-ND1 2.79Å; S453-H456 WeakPolarHBondContact O-CB 3.12Å; S453-H456 PolarHBondContact O-N 3.34Å |
| 457 | L | 92.5 | Very high | 89.7 | Confident | 5 Ų | 5 | 67.7 Ų | 67.7 | 3% | 0.026 | 37% | 0.369 | C | S | . | . | trans | -124.3 | 140.5 | 177.7 | -61.9 | 176.4 | 0 | 0 | 0 | 109.8 | F455 L462 A526 C527 V537 | F455-L457 PolarHBondContact O-N 3.37Å; L457-L462 HydrophobicContact CD1-CD2 4.44Å; L457-A526 PolarHBondContact N-O 3.29Å; L457-A526 VanDerWaalsContact N-O 3.12Å; L457-C527 VanDerWaalsContact O-CA 3.3Å; L457-C527 WeakPolarHBondContact O-CA 3.09Å; L457-C527 PolarHBondContact O-SG 3.08Å; L457-V537 HydrophobicContact CD1-CB 3.82Å; L457-V537 HydrophobicContact CD1-CG1 4.33Å; L457-V537 HydrophobicContact CD1-CG2 3.63Å | ||
| 458 | Q | 89.9 | Confident | 89.6 | Confident | 107 Ų | 107 | 70.8 Ų | 70.8 | 50% | 0.5 | 39% | 0.385 | S | S | . | . | trans | -91.3 | 148.9 | 168 | -64.9 | -177.4 | -12.9 | 0 | 0 | 110.6 | S460 E461 | Q458-S460 PolarHBondContact O-N 3.09Å; Q458-S460 VanDerWaalsContact O-N 3.16Å; Q458-E461 HydrophobicContact CB-CG 4.29Å; Q458-E461 PolarHBondContact N-OE1 3.28Å; Q458-E461 WeakPolarHBondContact O-CB 3.44Å; Q458-E461 PolarHBondContact O-N 3.14Å | ||
| 459 | L | 86.4 | Confident | 89.3 | Confident | 39 Ų | 39 | 68 Ų | 68 | 20% | 0.204 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -60.4 | -28.2 | 179 | -169.9 | 65.1 | 0 | 0 | 0 | 112.1 | E461 L462 F464 Q533 | L459-E461 PolarHBondContact O-N 3.16Å; L459-L462 HydrophobicContact CD1-CD1 4.27Å; L459-L462 WeakPolarHBondContact O-CB 3.31Å; L459-L462 PolarHBondContact O-N 3.13Å; L459-F464 HydrophobicContact CD1-CE2 4.08Å; L459-F464 HydrophobicContact CD1-CZ 3.77Å; L459-Q533 HydrophobicContact CD2-CB 4.18Å; L459-Q533 HydrophobicContact CD2-CG 4.11Å |
| 460 | S | 88.5 | Confident | 88.7 | Confident | 104 Ų | 104 | 68.7 Ų | 68.7 | 73% | 0.727 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -68.7 | -16.8 | 174.1 | 50.5 | 0 | 0 | 0 | 0 | 114.4 | Q458 | Q458-S460 PolarHBondContact O-N 3.09Å; Q458-S460 VanDerWaalsContact O-N 3.16Å |
| 461 | E | 89.1 | Confident | 87.6 | Confident | 59 Ų | 59 | 67.3 Ų | 67.3 | 28% | 0.276 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -82.9 | -2.7 | 173.9 | -63.4 | 176.6 | -112.4 | 0 | 0 | 112.6 | Q458 L459 R482 | Q458-E461 HydrophobicContact CB-CG 4.29Å; Q458-E461 PolarHBondContact N-OE1 3.28Å; Q458-E461 WeakPolarHBondContact O-CB 3.44Å; Q458-E461 PolarHBondContact O-N 3.14Å; L459-E461 PolarHBondContact O-N 3.16Å; E461-R482 IonicContact OE1-NH2 2.81Å; E461-R482 IonicContact OE2-CZ 3.96Å; E461-R482 VanDerWaalsContact OE2-CZ 3.26Å; E461-R482 IonicContact OE2-NE 3.84Å; E461-R482 PolarHBondContact OE2-NE 3.23Å; E461-R482 IonicContact OE2-NH2 3.26Å; E461-R482 PolarHBondContact OE2-NH2 3.33Å |
| 462 | L | 92.1 | Very high | 86 | Confident | 13 Ų | 13 | 72.3 Ų | 72.3 | 7% | 0.068 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 123.7 | -173.9 | -57 | -175.1 | 0 | 0 | 0 | 111.4 | L457 L459 F464 C481 I488 A535 V537 | L457-L462 HydrophobicContact CD1-CD2 4.44Å; L459-L462 HydrophobicContact CD1-CD1 4.27Å; L459-L462 WeakPolarHBondContact O-CB 3.31Å; L459-L462 PolarHBondContact O-N 3.13Å; L462-F464 HydrophobicContact CB-CE2 4.2Å; L462-F464 HydrophobicContact CB-CZ 4.29Å; L462-C481 HydrophobicContact CD2-CB 3.64Å; L462-I488 HydrophobicContact CB-CD1 4.12Å; L462-I488 HydrophobicContact CD1-CG2 4Å; L462-I488 HydrophobicContact CD2-CD1 4.44Å; L462-A535 HydrophobicContact CD1-CB 4.32Å; L462-V537 HydrophobicContact CD1-CG2 3.82Å; L462-V537 HydrophobicContact CD2-CG2 3.9Å |
| 463 | E | 93.1 | Very high | 84.7 | Confident | 108 Ų | 108 | 71.3 Ų | 71.3 | 51% | 0.505 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 129.1 | 169 | -63.9 | 177.6 | -176.2 | 0 | 0 | 109.4 | G479 K480 | E463-G479 CarbonylContact O-C 3.48Å; E463-G479 WeakPolarHBondContact O-CA 3.37Å; E463-K480 HydrophobicContact CB-CB 4.2Å; E463-K480 PolarHBondContact N-O 3.46Å; E463-K480 PolarHBondContact O-N 3.18Å |
| 464 | F | 91 | Very high | 83.9 | Confident | 77 Ų | 77 | 66.7 Ų | 66.7 | 34% | 0.338 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 126 | 177.9 | -60.7 | -90.8 | 0 | 0 | 0 | 109.5 | L459 L462 Y477 I488 R490 | L459-F464 HydrophobicContact CD1-CE2 4.08Å; L459-F464 HydrophobicContact CD1-CZ 3.77Å; L462-F464 HydrophobicContact CB-CE2 4.2Å; L462-F464 HydrophobicContact CB-CZ 4.29Å; F464-Y477 HydrophobicContact CD1-CD1 4.2Å; F464-Y477 AromaticContact CD1-CD2 3.84Å; F464-Y477 HydrophobicContact CD1-CD2 3.84Å; F464-Y477 HydrophobicContact CD1-CE2 4.45Å; F464-Y477 AromaticContact CD1-CG 3.71Å; F464-Y477 HydrophobicContact CD1-CG 3.71Å; F464-Y477 HydrophobicContact CE1-CD2 4.12Å; F464-Y477 HydrophobicContact CE1-CG 4.43Å; F464-I488 HydrophobicContact CD1-CD1 4.22Å; F464-I488 HydrophobicContact CD1-CG2 4.47Å; F464-I488 HydrophobicContact CE1-CB 4.2Å; F464-I488 HydrophobicContact CE1-CD1 4.15Å; F464-I488 HydrophobicContact CE1-CG2 3.59Å; F464-I488 HydrophobicContact CZ-CG2 4.16Å; F464-R490 HydrophobicContact CE1-CG 3.76Å; F464-R490 HydrophobicContact CZ-CG 4.19Å |
| 465 | N | 89.9 | Confident | 83.6 | Confident | 94 Ų | 94 | 66.5 Ų | 66.5 | 50% | 0.503 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | -78.5 | 178.8 | -65.3 | 83.5 | 0 | 0 | 0 | 111.5 | R478 G479 | N465-R478 WeakPolarHBondContact CA-O 3.46Å; N465-R478 WeakPolarHBondContact CB-O 3.43Å; N465-R478 PolarHBondContact N-O 3.29Å; N465-G479 WeakPolarHBondContact OD1-CA 3.4Å |
| 466 | E | 90 | Very high | 83.3 | Confident | 104 Ų | 104 | 66.8 Ų | 66.8 | 49% | 0.486 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 153.8 | -174.2 | 64.6 | -172.7 | 163.9 | 0 | 0 | 111.1 | I468 Y477 R478 | E466-I468 HydrophobicContact CG-CG2 4.05Å; E466-Y477 CarbonylContact O-C 3.54Å; E466-Y477 WeakPolarHBondContact O-CA 3.35Å; E466-R478 HydrophobicContact CG-CB 3.91Å; E466-R478 PolarHBondContact N-O 3.2Å; E466-R478 PolarHBondContact O-N 3.41Å; E466-R478 VanDerWaalsContact OE1-CD 3.27Å; E466-R478 WeakPolarHBondContact OE1-CD 3.43Å |
| 467 | I | 88.6 | Confident | 83.3 | Confident | 88 Ų | 88 | 66.4 Ų | 66.4 | 45% | 0.451 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 121 | 175.6 | -62.3 | 163 | 0 | 0 | 0 | 107.6 | Y477 | I467-Y477 HydrophobicContact CD1-CE1 4.15Å; I467-Y477 HydrophobicContact CG1-CD1 3.71Å; I467-Y477 HydrophobicContact CG1-CE1 3.42Å; I467-Y477 VanDerWaalsContact CG1-CE1 3.42Å |
| 468 | I | 85.7 | Confident | 83.4 | Confident | 72 Ų | 72 | 69.4 Ų | 69.4 | 37% | 0.369 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | -9.5 | 179.2 | 60 | 174 | 0 | 0 | 0 | 112.9 | E466 V476 R478 A487 Y540 | E466-I468 HydrophobicContact CG-CG2 4.05Å; I468-V476 HydrophobicContact CD1-CG1 3.96Å; I468-V476 HydrophobicContact CG1-CB 4.19Å; I468-V476 HydrophobicContact CG1-CG1 3.81Å; I468-V476 WeakPolarHBondContact CG1-O 3.32Å; I468-V476 PolarHBondContact N-O 3.24Å; I468-R478 HydrophobicContact CD1-CB 4.21Å; I468-R478 HydrophobicContact CG2-CB 3.61Å; I468-A487 HydrophobicContact CD1-CB 4.18Å; I468-Y540 HydrophobicContact CD1-CD2 3.97Å; I468-Y540 HydrophobicContact CD1-CE2 3.86Å |
| 469 | G | 79.1 | Confident | 83.6 | Confident | 26 Ų | 26 | 64.3 Ų | 64.3 | 27% | 0.268 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.4 | 158.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V476 | G469-V476 PolarHBondContact N-O 2.93Å; G469-V476 PolarHBondContact O-N 3.49Å |
| 470 | S | 69.9 | Low | 83.9 | Confident | 101 Ų | 101 | 66.7 Ų | 66.7 | 71% | 0.706 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 120.2 | 172.5 | 58.4 | 0 | 0 | 0 | 0 | 109.4 | ||
| 471 | G | 63.2 | Low | 84.2 | Confident | 52 Ų | 52 | 62 Ų | 62 | 54% | 0.536 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | -175.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F473 G474 | G471-F473 PolarHBondContact O-N 3.39Å; G471-F473 VanDerWaalsContact O-N 3.1Å; G471-G474 PolarHBondContact N-O 3.11Å; G471-G474 PolarHBondContact O-N 3.42Å |
| 472 | S | 58.3 | Low | 84.1 | Confident | 113 Ų | 113 | 66.3 Ų | 66.3 | 79% | 0.79 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -27.7 | -179.5 | -47.5 | 0 | 0 | 0 | 0 | 113.6 | ||
| 473 | F | 63.8 | Low | 83.7 | Confident | 33 Ų | 33 | 73 Ų | 73 | 15% | 0.145 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | 0.7 | -170.1 | -49.7 | -65.6 | 0 | 0 | 0 | 113.8 | G471 Y491 R492 M504 E608 | G471-F473 PolarHBondContact O-N 3.39Å; G471-F473 VanDerWaalsContact O-N 3.1Å; F473-Y491 HydrophobicContact CB-CD1 4.41Å; F473-Y491 HydrophobicContact CB-CE1 3.92Å; F473-R492 PolarHBondContact O-N 2.88Å; F473-M504 HydrophobicContact CD1-CE 3.73Å; F473-M504 HydrophobicContact CD1-SD 4.36Å; F473-M504 HydrophobicContact CE1-CE 3.44Å; F473-M504 VanDerWaalsContact CE1-CE 3.44Å; F473-M504 HydrophobicContact CE1-SD 3.7Å; F473-M504 HydrophobicContact CZ-CE 4.39Å; F473-M504 HydrophobicContact CZ-SD 4.07Å; F473-E608 VanDerWaalsContact CZ-OE1 3.23Å; F473-E608 WeakPolarHBondContact CZ-OE1 3.48Å |
| 474 | G | 73.2 | Confident | 83.6 | Confident | 8 Ų | 8 | 75.3 Ų | 75.3 | 8% | 0.082 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 144.7 | -169 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | G471 R490 | G471-G474 PolarHBondContact N-O 3.11Å; G471-G474 PolarHBondContact O-N 3.42Å; G474-R490 WeakPolarHBondContact CA-O 3.2Å |
| 475 | R | 84.3 | Confident | 83.8 | Confident | 108 Ų | 108 | 75.5 Ų | 75.5 | 41% | 0.408 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 138.5 | -179.7 | -70 | 179.3 | 177.3 | 175.3 | -1.9 | 109.9 | Y477 R490 | R475-Y477 HydrophobicContact CB-CD2 4.4Å; R475-Y477 HydrophobicContact CB-CE2 3.6Å; R475-Y477 WeakPolarHBondContact CD-OH 3.49Å; R475-Y477 WeakPolarHBondContact O-CE2 3.19Å; R475-R490 PolarHBondContact O-N 3.42Å |
| 476 | V | 88.8 | Confident | 84.1 | Confident | 37 Ų | 37 | 71.2 Ų | 71.2 | 22% | 0.224 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 125.9 | 172.3 | -171.7 | 0 | 0 | 0 | 0 | 108.1 | I468 G469 A487 I488 K489 | I468-V476 HydrophobicContact CD1-CG1 3.96Å; I468-V476 HydrophobicContact CG1-CB 4.19Å; I468-V476 HydrophobicContact CG1-CG1 3.81Å; I468-V476 WeakPolarHBondContact CG1-O 3.32Å; I468-V476 PolarHBondContact N-O 3.24Å; G469-V476 PolarHBondContact N-O 2.93Å; G469-V476 PolarHBondContact O-N 3.49Å; V476-A487 HydrophobicContact CG1-CB 4.25Å; V476-I488 CarbonylContact C-O 3.32Å; V476-I488 WeakPolarHBondContact CA-O 3.31Å; V476-K489 HydrophobicContact CG2-CB 4.19Å; V476-K489 HydrophobicContact CG2-CG 4.13Å |
| 477 | Y | 91.9 | Very high | 84.3 | Confident | 46 Ų | 46 | 66.7 Ų | 66.7 | 18% | 0.18 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 139.8 | 179.8 | -58.7 | -96.1 | 0 | 0 | 0 | 109.6 | F464 E466 I467 R475 A487 I488 R490 | F464-Y477 HydrophobicContact CD1-CD1 4.2Å; F464-Y477 AromaticContact CD1-CD2 3.84Å; F464-Y477 HydrophobicContact CD1-CD2 3.84Å; F464-Y477 HydrophobicContact CD1-CE2 4.45Å; F464-Y477 AromaticContact CD1-CG 3.71Å; F464-Y477 HydrophobicContact CD1-CG 3.71Å; F464-Y477 HydrophobicContact CE1-CD2 4.12Å; F464-Y477 HydrophobicContact CE1-CG 4.43Å; E466-Y477 CarbonylContact O-C 3.54Å; E466-Y477 WeakPolarHBondContact O-CA 3.35Å; I467-Y477 HydrophobicContact CD1-CE1 4.15Å; I467-Y477 HydrophobicContact CG1-CD1 3.71Å; I467-Y477 HydrophobicContact CG1-CE1 3.42Å; I467-Y477 VanDerWaalsContact CG1-CE1 3.42Å; R475-Y477 HydrophobicContact CB-CD2 4.4Å; R475-Y477 HydrophobicContact CB-CE2 3.6Å; R475-Y477 WeakPolarHBondContact CD-OH 3.49Å; R475-Y477 WeakPolarHBondContact O-CE2 3.19Å; Y477-A487 CarbonylContact O-C 3.57Å; Y477-A487 WeakPolarHBondContact O-CA 2.87Å; Y477-I488 PolarHBondContact N-O 3.45Å; Y477-I488 PolarHBondContact O-N 3.11Å; Y477-R490 HydrophobicContact CD2-CG 4.3Å; Y477-R490 HydrophobicContact CE2-CB 4.13Å; Y477-R490 HydrophobicContact CE2-CG 4.06Å |
| 478 | R | 94.1 | Very high | 84.6 | Confident | 68 Ų | 68 | 62.5 Ų | 62.5 | 26% | 0.257 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 134.1 | 156 | -177.1 | 178.2 | -176.6 | -95 | 3.2 | 107.4 | N465 E466 I468 I485 Y540 | N465-R478 WeakPolarHBondContact CA-O 3.46Å; N465-R478 WeakPolarHBondContact CB-O 3.43Å; N465-R478 PolarHBondContact N-O 3.29Å; E466-R478 HydrophobicContact CG-CB 3.91Å; E466-R478 PolarHBondContact N-O 3.2Å; E466-R478 PolarHBondContact O-N 3.41Å; E466-R478 VanDerWaalsContact OE1-CD 3.27Å; E466-R478 WeakPolarHBondContact OE1-CD 3.43Å; I468-R478 HydrophobicContact CD1-CB 4.21Å; I468-R478 HydrophobicContact CG2-CB 3.61Å; R478-I485 HydrophobicContact CG-CG2 4.17Å; R478-Y540 HydrophobicContact CB-CD2 4.41Å; R478-Y540 HydrophobicContact CB-CE2 4.18Å; R478-Y540 HydrophobicContact CG-CD2 3.99Å; R478-Y540 HydrophobicContact CG-CE2 3.86Å; R478-Y540 HydrophobicContact CG-CG 4.46Å |
| 479 | G | 93.9 | Very high | 84.9 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | -172 | -175 | 0 | 0 | 0 | 0 | 0 | 113 | E463 N465 I485 V486 | E463-G479 CarbonylContact O-C 3.48Å; E463-G479 WeakPolarHBondContact O-CA 3.37Å; N465-G479 WeakPolarHBondContact OD1-CA 3.4Å; G479-I485 WeakPolarHBondContact O-CA 2.95Å; G479-V486 PolarHBondContact N-O 2.86Å; G479-V486 PolarHBondContact O-N 3.25Å |
| 480 | K | 94.3 | Very high | 85.3 | Confident | 90 Ų | 90 | 62.8 Ų | 62.8 | 39% | 0.391 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 139.9 | 169.9 | -64.9 | -179.8 | -177.3 | 172.3 | 0 | 110.8 | E463 K484 | E463-K480 HydrophobicContact CB-CB 4.2Å; E463-K480 PolarHBondContact N-O 3.46Å; E463-K480 PolarHBondContact O-N 3.18Å; K480-K484 CarbonylContact C-O 3.56Å; K480-K484 VanDerWaalsContact CA-O 3.25Å; K480-K484 WeakPolarHBondContact CA-O 3.33Å |
| 481 | C | 93.7 | Very high | 85.8 | Confident | 5 Ų | 5 | 58.5 Ų | 58.5 | 3% | 0.034 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 121.5 | 169.2 | -179.5 | 0 | 0 | 0 | 0 | 107.7 | L462 N483 K484 V486 V537 | L462-C481 HydrophobicContact CD2-CB 3.64Å; C481-N483 VanDerWaalsContact C-N 3.29Å; C481-N483 PolarHBondContact O-N 3.2Å; C481-K484 PolarHBondContact N-O 3.15Å; C481-K484 PolarHBondContact O-N 3Å; C481-V486 HydrophobicContact CB-CG1 4.06Å; C481-V486 HydrophobicContact CB-CG2 3.72Å; C481-V537 HydrophobicContact CB-CG1 4.45Å |
| 482 | R | 87 | Confident | 85.9 | Confident | 150 Ų | 150 | 63.1 Ų | 63.1 | 57% | 0.566 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | 47.1 | -179.8 | -57.9 | 176.8 | -179.9 | 166.8 | 3 | 113 | E461 K484 | E461-R482 IonicContact OE1-NH2 2.81Å; E461-R482 IonicContact OE2-CZ 3.96Å; E461-R482 VanDerWaalsContact OE2-CZ 3.26Å; E461-R482 IonicContact OE2-NE 3.84Å; E461-R482 PolarHBondContact OE2-NE 3.23Å; E461-R482 IonicContact OE2-NH2 3.26Å; E461-R482 PolarHBondContact OE2-NH2 3.33Å; R482-K484 PolarHBondContact O-N 3.22Å |
| 483 | N | 83.8 | Confident | 85.7 | Confident | 152 Ų | 152 | 60.1 Ų | 60.1 | 81% | 0.813 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 10.4 | -175.8 | -71.6 | -16.4 | 0 | 0 | 0 | 116.8 | C481 | C481-N483 VanDerWaalsContact C-N 3.29Å; C481-N483 PolarHBondContact O-N 3.2Å |
| 484 | K | 91.4 | Very high | 85 | Confident | 157 Ų | 157 | 63.9 Ų | 63.9 | 68% | 0.683 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 141.2 | 170.7 | -63.9 | -173.5 | 179 | -175.9 | 0 | 110.6 | K480 C481 R482 | K480-K484 CarbonylContact C-O 3.56Å; K480-K484 VanDerWaalsContact CA-O 3.25Å; K480-K484 WeakPolarHBondContact CA-O 3.33Å; C481-K484 PolarHBondContact N-O 3.15Å; C481-K484 PolarHBondContact O-N 3Å; R482-K484 PolarHBondContact O-N 3.22Å |
| 485 | I | 94.2 | Very high | 83.5 | Confident | 82 Ų | 82 | 70 Ų | 70 | 42% | 0.421 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 128.1 | 175 | -56 | 173.3 | 0 | 0 | 0 | 108.1 | R478 G479 Y540 | R478-I485 HydrophobicContact CG-CG2 4.17Å; G479-I485 WeakPolarHBondContact O-CA 2.95Å; I485-Y540 HydrophobicContact CG2-CD1 3.69Å; I485-Y540 HydrophobicContact CG2-CE1 4.44Å; I485-Y540 HydrophobicContact CG2-CG 3.87Å |
| 486 | V | 96.1 | Very high | 81.4 | Confident | 3 Ų | 3 | 74.4 Ų | 74.4 | 2% | 0.018 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 159.7 | -173.2 | -67.8 | 0 | 0 | 0 | 0 | 111.3 | G479 C481 I488 V524 V537 T538 | G479-V486 PolarHBondContact N-O 2.86Å; G479-V486 PolarHBondContact O-N 3.25Å; C481-V486 HydrophobicContact CB-CG1 4.06Å; C481-V486 HydrophobicContact CB-CG2 3.72Å; V486-I488 HydrophobicContact CG2-CD1 4.15Å; V486-I488 HydrophobicContact CG2-CG1 3.85Å; V486-V524 HydrophobicContact CG1-CG1 4.41Å; V486-V524 HydrophobicContact CG1-CG2 4.25Å; V486-V537 HydrophobicContact CB-CG1 3.63Å; V486-V537 HydrophobicContact CG1-CG1 3.94Å; V486-V537 HydrophobicContact CG2-CG1 3.72Å; V486-T538 WeakPolarHBondContact CB-O 3.3Å |
| 487 | A | 95.5 | Very high | 78.8 | Confident | 10 Ų | 10 | 78.1 Ų | 78.1 | 8% | 0.083 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 130.5 | 166 | 0 | 0 | 0 | 0 | 0 | 109 | I468 V476 Y477 V537 T538 | I468-A487 HydrophobicContact CD1-CB 4.18Å; V476-A487 HydrophobicContact CG1-CB 4.25Å; Y477-A487 CarbonylContact O-C 3.57Å; Y477-A487 WeakPolarHBondContact O-CA 2.87Å; A487-V537 WeakPolarHBondContact O-CA 3.25Å; A487-T538 PolarHBondContact N-O 3.15Å; A487-T538 PolarHBondContact O-N 2.95Å |
| 488 | I | 94.5 | Very high | 76.5 | Confident | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 105.7 | -174.8 | -51.8 | 166.8 | 0 | 0 | 0 | 108.5 | L462 F464 V476 Y477 V486 A535 V537 | L462-I488 HydrophobicContact CB-CD1 4.12Å; L462-I488 HydrophobicContact CD1-CG2 4Å; L462-I488 HydrophobicContact CD2-CD1 4.44Å; F464-I488 HydrophobicContact CD1-CD1 4.22Å; F464-I488 HydrophobicContact CD1-CG2 4.47Å; F464-I488 HydrophobicContact CE1-CB 4.2Å; F464-I488 HydrophobicContact CE1-CD1 4.15Å; F464-I488 HydrophobicContact CE1-CG2 3.59Å; F464-I488 HydrophobicContact CZ-CG2 4.16Å; V476-I488 CarbonylContact C-O 3.32Å; V476-I488 WeakPolarHBondContact CA-O 3.31Å; Y477-I488 PolarHBondContact N-O 3.45Å; Y477-I488 PolarHBondContact O-N 3.11Å; V486-I488 HydrophobicContact CG2-CD1 4.15Å; V486-I488 HydrophobicContact CG2-CG1 3.85Å; I488-A535 HydrophobicContact CG2-CB 4.15Å; I488-V537 HydrophobicContact CG1-CG1 4.42Å; I488-V537 HydrophobicContact CG2-CG2 4.43Å |
| 489 | K | 92 | Very high | 74.1 | Confident | 22 Ų | 22 | 83.9 Ų | 83.9 | 10% | 0.096 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 104.5 | 175.2 | -176.6 | 175.4 | 177.2 | -173.1 | 0 | 108.8 | V476 Y491 E508 A535 I536 D605 | V476-K489 HydrophobicContact CG2-CB 4.19Å; V476-K489 HydrophobicContact CG2-CG 4.13Å; K489-Y491 HydrophobicContact CD-CE2 4.21Å; K489-Y491 HydrophobicContact CG-CE2 4.22Å; K489-E508 IonicContact NZ-OE1 3.01Å; K489-E508 PolarHBondContact NZ-OE1 2.73Å; K489-E508 IonicContact NZ-OE2 2.73Å; K489-E508 PolarHBondContact NZ-OE2 3.11Å; K489-A535 WeakPolarHBondContact O-CA 3.34Å; K489-I536 HydrophobicContact CB-CB 4.43Å; K489-I536 PolarHBondContact N-O 2.93Å; K489-I536 PolarHBondContact O-N 2.75Å; K489-D605 IonicContact NZ-OD1 3.88Å; K489-D605 PolarHBondContact NZ-OD1 2.95Å |
| 490 | R | 87.1 | Confident | 72.5 | Confident | 82 Ų | 82 | 85.4 Ų | 85.4 | 31% | 0.309 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 125.6 | 175.3 | -77.7 | -155.7 | 67.8 | -175.4 | -0.1 | 110.7 | F464 G474 R475 Y477 S532 | F464-R490 HydrophobicContact CE1-CG 3.76Å; F464-R490 HydrophobicContact CZ-CG 4.19Å; G474-R490 WeakPolarHBondContact CA-O 3.2Å; R475-R490 PolarHBondContact O-N 3.42Å; Y477-R490 HydrophobicContact CD2-CG 4.3Å; Y477-R490 HydrophobicContact CE2-CB 4.13Å; Y477-R490 HydrophobicContact CE2-CG 4.06Å; R490-S532 PolarHBondContact NH2-O 3.21Å |
| 491 | Y | 80.4 | Confident | 71.4 | Confident | 11 Ų | 11 | 83.3 Ų | 83.3 | 4% | 0.043 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 138.3 | 172.8 | -88.3 | -103.7 | 0 | 0 | 0 | 110.6 | F473 K489 F505 E508 F534 I536 | F473-Y491 HydrophobicContact CB-CD1 4.41Å; F473-Y491 HydrophobicContact CB-CE1 3.92Å; K489-Y491 HydrophobicContact CD-CE2 4.21Å; K489-Y491 HydrophobicContact CG-CE2 4.22Å; Y491-F505 HydrophobicContact CD1-CB 4.09Å; Y491-F505 HydrophobicContact CD1-CD2 4.42Å; Y491-F505 AromaticContact CD2-CD2 3.63Å; Y491-F505 HydrophobicContact CD2-CD2 3.63Å; Y491-F505 HydrophobicContact CD2-CE2 4.28Å; Y491-F505 HydrophobicContact CE1-CB 4.02Å; Y491-F505 AromaticContact CE2-CD2 3.82Å; Y491-F505 HydrophobicContact CE2-CD2 3.82Å; Y491-F505 HydrophobicContact CG-CB 4.43Å; Y491-F505 AromaticContact CG-CD2 3.94Å; Y491-F505 HydrophobicContact CG-CD2 3.94Å; Y491-E508 PolarHBondContact OH-OE2 2.63Å; Y491-F534 PolarHBondContact N-O 3.47Å; Y491-I536 HydrophobicContact CD2-CG1 4.43Å; Y491-I536 HydrophobicContact CE2-CD1 3.68Å; Y491-I536 HydrophobicContact CE2-CG1 4.03Å |
| 492 | R | 66.3 | Low | 70.6 | Confident | 148 Ų | 148 | 84 Ų | 84 | 56% | 0.558 | 42% | 0.421 | S | S | * | . | trans | -91.2 | 108.5 | 172 | -71.5 | -175.9 | 175.8 | -178.8 | -1.5 | 108.7 | F473 N494 | F473-R492 PolarHBondContact O-N 2.88Å; R492-N494 VanDerWaalsContact C-N 3.3Å; R492-N494 PolarHBondContact O-N 3.11Å | ||
| 493 | A | 53.9 | Low | 70.1 | Confident | 50 Ų | 50 | 79.4 Ų | 79.4 | 41% | 0.413 | 41% | 0.408 | S | S | . | . | trans | -71.7 | 90.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | T495 P531 | A493-T495 PolarHBondContact O-N 2.93Å; A493-P531 HydrophobicContact CB-CB 4.19Å; A493-P531 WeakPolarHBondContact CB-O 3.38Å | ||
| 494 | N | 48.3 | Very low | 69.8 | Low | 113 Ų | 113 | 72.5 Ų | 72.5 | 60% | 0.604 | 37% | 0.371 | S | S | * | . | trans | -69.2 | 111.3 | 169.1 | -109.7 | 8.2 | 0 | 0 | 0 | 107.8 | R492 Y496 | R492-N494 VanDerWaalsContact C-N 3.3Å; R492-N494 PolarHBondContact O-N 3.11Å; N494-Y496 PolarHBondContact O-N 3.01Å | ||
| 495 | T | 42.8 | Very low | 69.6 | Low | 136 Ų | 136 | 65 Ų | 65 | 83% | 0.834 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -68.2 | -0.9 | 175.8 | -14.7 | 0 | 0 | 0 | 0 | 113.2 | A493 | A493-T495 PolarHBondContact O-N 2.93Š|
| 496 | Y | 39.1 | Very low | 69.2 | Low | 201 Ų | 201 | 61.6 Ų | 61.6 | 79% | 0.788 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -125.9 | 105.1 | 175.4 | -72.3 | -89.6 | 0 | 0 | 0 | 108.7 | N494 | N494-Y496 PolarHBondContact O-N 3.01Š|
| 497 | C | 35.4 | Very low | 68.8 | Low | 114 Ų | 114 | 63.9 Ų | 63.9 | 77% | 0.77 | 33% | 0.33 | S | S | * | . | S | Bend | trans | 98.1 | 122.5 | 166.3 | -128.5 | 0 | 0 | 0 | 0 | 118.9 | ||
| 498 | S | 41.9 | Very low | 68.5 | Low | 87 Ų | 87 | 63.7 Ų | 63.7 | 61% | 0.608 | 33% | 0.327 | S | S | * | . | trans | 81.7 | 134.6 | 153.6 | 74.3 | 0 | 0 | 0 | 0 | 121.2 | S500 | S498-S500 PolarHBondContact O-N 3.44Å; S498-S500 PolarHBondContact OG-OG 3.37Å | ||
| 499 | K | 45.4 | Very low | 68.5 | Low | 148 Ų | 148 | 63.7 Ų | 63.7 | 64% | 0.643 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 13.4 | 175.6 | -81.3 | 175.9 | 168.5 | 173.5 | 0 | 115.7 | S436 | S436-K499 WeakPolarHBondContact OG-CE 3.33Å; S436-K499 VanDerWaalsContact OG-CG 3.32Å; S436-K499 WeakPolarHBondContact OG-CG 3.01Å |
| 500 | S | 60 | Low | 68.4 | Low | 32 Ų | 32 | 64 Ų | 64 | 22% | 0.224 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -37.7 | -166 | 54.4 | 0 | 0 | 0 | 0 | 115.3 | S498 M504 | S498-S500 PolarHBondContact O-N 3.44Å; S498-S500 PolarHBondContact OG-OG 3.37Å; S500-M504 WeakPolarHBondContact O-CB 3.48Å; S500-M504 WeakPolarHBondContact O-CE 3.47Å; S500-M504 VanDerWaalsContact O-CG 3.25Å; S500-M504 WeakPolarHBondContact O-CG 3.34Å; S500-M504 PolarHBondContact O-N 3.1Å |
| 501 | D | 70.8 | Confident | 68.7 | Low | 46 Ų | 46 | 60.1 Ų | 60.1 | 25% | 0.246 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -77.5 | -33.6 | -160.2 | -61.2 | -8.6 | 0 | 0 | 0 | 113.7 | M504 F505 | D501-M504 HydrophobicContact CB-CE 4.48Å; D501-M504 WeakPolarHBondContact OD1-CE 3.33Å; D501-F505 WeakPolarHBondContact O-CB 3.49Å; D501-F505 PolarHBondContact O-N 2.9Å |
| 502 | V | 76.6 | Confident | 69.4 | Low | 21 Ų | 21 | 59.7 Ų | 59.7 | 13% | 0.127 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -70.8 | -43.3 | 176.3 | 177.5 | 0 | 0 | 0 | 0 | 111.7 | E440 V444 F505 C506 F534 | E440-V502 HydrophobicContact CB-CB 4.42Å; E440-V502 HydrophobicContact CB-CG1 4.17Å; E440-V502 HydrophobicContact CG-CB 4.4Å; V444-V502 HydrophobicContact CG2-CG1 3.43Å; V444-V502 VanDerWaalsContact CG2-CG1 3.43Å; V502-F505 PolarHBondContact O-N 3.31Å; V502-C506 WeakPolarHBondContact O-CB 3.5Å; V502-C506 PolarHBondContact O-N 3.29Å; V502-C506 PolarHBondContact O-SG 3.01Å; V502-F534 HydrophobicContact CB-CE2 4.49Å; V502-F534 HydrophobicContact CG1-CE2 4.13Å; V502-F534 HydrophobicContact CG2-CE2 4.15Å |
| 503 | D | 76.6 | Confident | 70.7 | Confident | 52 Ų | 52 | 54.2 Ų | 54.2 | 28% | 0.278 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.9 | -41.8 | 177.8 | 170.2 | 49 | 0 | 0 | 0 | 111.1 | C506 R507 | D503-C506 PolarHBondContact O-N 3.14Å; D503-R507 VanDerWaalsContact O-CB 3.24Å; D503-R507 WeakPolarHBondContact O-CB 3.17Å; D503-R507 PolarHBondContact O-N 2.91Å; D503-R507 IonicContact OD1-CZ 3.78Å; D503-R507 IonicContact OD1-NH2 3.25Å; D503-R507 PolarHBondContact OD1-NH2 3.01Å; D503-R507 IonicContact OD2-CZ 2.92Å; D503-R507 IonicContact OD2-NH1 2.81Å; D503-R507 IonicContact OD2-NH2 3.62Å; D503-R507 PolarHBondContact OD2-NH2 3.24Å |
| 504 | M | 77.3 | Confident | 72.4 | Confident | 8 Ų | 8 | 58.4 Ų | 58.4 | 4% | 0.039 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 173.8 | -71.4 | -175.8 | -59.6 | 0 | 0 | 112.2 | F473 S500 D501 C506 R507 E508 | F473-M504 HydrophobicContact CD1-CE 3.73Å; F473-M504 HydrophobicContact CD1-SD 4.36Å; F473-M504 HydrophobicContact CE1-CE 3.44Å; F473-M504 VanDerWaalsContact CE1-CE 3.44Å; F473-M504 HydrophobicContact CE1-SD 3.7Å; F473-M504 HydrophobicContact CZ-CE 4.39Å; F473-M504 HydrophobicContact CZ-SD 4.07Å; S500-M504 WeakPolarHBondContact O-CB 3.48Å; S500-M504 WeakPolarHBondContact O-CE 3.47Å; S500-M504 VanDerWaalsContact O-CG 3.25Å; S500-M504 WeakPolarHBondContact O-CG 3.34Å; S500-M504 PolarHBondContact O-N 3.1Å; D501-M504 HydrophobicContact CB-CE 4.48Å; D501-M504 WeakPolarHBondContact OD1-CE 3.33Å; M504-C506 PolarHBondContact O-N 3.31Å; M504-R507 PolarHBondContact O-N 3.36Å; M504-E508 WeakPolarHBondContact O-CB 3.5Å; M504-E508 PolarHBondContact O-N 2.86Å |
| 505 | F | 86.6 | Confident | 74.6 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.2 | -49.6 | 174.9 | 172.3 | -99.4 | 0 | 0 | 0 | 111.7 | Y491 D501 V502 R507 E508 V509 A526 C527 L528 F534 I536 | Y491-F505 HydrophobicContact CD1-CB 4.09Å; Y491-F505 HydrophobicContact CD1-CD2 4.42Å; Y491-F505 AromaticContact CD2-CD2 3.63Å; Y491-F505 HydrophobicContact CD2-CD2 3.63Å; Y491-F505 HydrophobicContact CD2-CE2 4.28Å; Y491-F505 HydrophobicContact CE1-CB 4.02Å; Y491-F505 AromaticContact CE2-CD2 3.82Å; Y491-F505 HydrophobicContact CE2-CD2 3.82Å; Y491-F505 HydrophobicContact CG-CB 4.43Å; Y491-F505 AromaticContact CG-CD2 3.94Å; Y491-F505 HydrophobicContact CG-CD2 3.94Å; D501-F505 WeakPolarHBondContact O-CB 3.49Å; D501-F505 PolarHBondContact O-N 2.9Å; V502-F505 PolarHBondContact O-N 3.31Å; F505-R507 VanDerWaalsContact C-N 3.25Å; F505-R507 PolarHBondContact O-N 2.92Å; F505-E508 PolarHBondContact O-N 2.89Å; F505-V509 HydrophobicContact CD2-CG2 4.39Å; F505-V509 HydrophobicContact CE1-CG2 4.29Å; F505-V509 HydrophobicContact CE2-CG2 4.03Å; F505-V509 HydrophobicContact CZ-CG2 3.98Å; F505-V509 WeakPolarHBondContact O-CG2 3.23Å; F505-V509 PolarHBondContact O-N 3.49Å; F505-A526 HydrophobicContact CZ-CB 4.38Å; F505-C527 WeakPolarHBondContact CZ-O 3.5Å; F505-L528 HydrophobicContact CE1-CD2 3.39Å; F505-L528 HydrophobicContact CZ-CD2 3.58Å; F505-F534 HydrophobicContact CB-CD2 4.19Å; F505-F534 HydrophobicContact CD1-CB 4.45Å; F505-F534 HydrophobicContact CD1-CD1 4.26Å; F505-F534 AromaticContact CD1-CD2 3.46Å; F505-F534 HydrophobicContact CD1-CD2 3.46Å; F505-F534 VanDerWaalsContact CD1-CD2 3.46Å; F505-F534 HydrophobicContact CD1-CE1 4.38Å; F505-F534 AromaticContact CD1-CE2 3.61Å; F505-F534 HydrophobicContact CD1-CE2 3.61Å; F505-F534 AromaticContact CD1-CG 3.82Å; F505-F534 HydrophobicContact CD1-CG 3.82Å; F505-F534 HydrophobicContact CD1-CZ 4.09Å; F505-F534 HydrophobicContact CD2-CB 3.99Å; F505-F534 HydrophobicContact CD2-CD2 4.21Å; F505-F534 HydrophobicContact CD2-CG 4.24Å; F505-F534 HydrophobicContact CE1-CB 4.23Å; F505-F534 AromaticContact CE1-CD1 3.7Å; F505-F534 HydrophobicContact CE1-CD1 3.7Å; F505-F534 AromaticContact CE1-CD2 3.78Å; F505-F534 HydrophobicContact CE1-CD2 3.78Å; F505-F534 AromaticContact CE1-CE1 3.93Å; F505-F534 HydrophobicContact CE1-CE1 3.93Å; F505-F534 AromaticContact CE1-CE2 4Å; F505-F534 HydrophobicContact CE1-CE2 4Å; F505-F534 AromaticContact CE1-CG 3.63Å; F505-F534 HydrophobicContact CE1-CG 3.63Å; F505-F534 HydrophobicContact CE1-CZ 4.08Å; F505-F534 HydrophobicContact CE2-CB 3.74Å; F505-F534 HydrophobicContact CE2-CD2 4.48Å; F505-F534 HydrophobicContact CE2-CG 4.08Å; F505-F534 HydrophobicContact CG-CB 4.33Å; F505-F534 AromaticContact CG-CD2 3.69Å; F505-F534 HydrophobicContact CG-CD2 3.69Å; F505-F534 HydrophobicContact CG-CE2 4.21Å; F505-F534 HydrophobicContact CG-CG 4.11Å; F505-F534 HydrophobicContact CZ-CB 3.87Å; F505-F534 AromaticContact CZ-CD1 3.92Å; F505-F534 HydrophobicContact CZ-CD1 3.92Å; F505-F534 HydrophobicContact CZ-CD2 4.28Å; F505-F534 AromaticContact CZ-CG 3.77Å; F505-F534 HydrophobicContact CZ-CG 3.77Å; F505-I536 HydrophobicContact CD2-CD1 3.96Å; F505-I536 HydrophobicContact CD2-CG1 3.83Å; F505-I536 HydrophobicContact CE2-CD1 4.13Å; F505-I536 HydrophobicContact CE2-CG1 3.51Å |
| 506 | C | 87.2 | Confident | 77.1 | Confident | 9 Ų | 9 | 53.8 Ų | 53.8 | 6% | 0.061 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.1 | -38.1 | -178 | -69.1 | 0 | 0 | 0 | 0 | 111.7 | L447 V502 D503 M504 S510 | L447-C506 HydrophobicContact CD2-CB 3.89Å; V502-C506 WeakPolarHBondContact O-CB 3.5Å; V502-C506 PolarHBondContact O-N 3.29Å; V502-C506 PolarHBondContact O-SG 3.01Å; D503-C506 PolarHBondContact O-N 3.14Å; M504-C506 PolarHBondContact O-N 3.31Å; C506-S510 WeakPolarHBondContact O-CB 3.42Å; C506-S510 PolarHBondContact O-N 3.25Å; C506-S510 PolarHBondContact O-OG 2.89Å |
| 507 | R | 86.7 | Confident | 79.8 | Confident | 52 Ų | 52 | 46.5 Ų | 46.5 | 20% | 0.196 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.2 | -46.5 | 177.6 | -168.5 | -175.1 | -61.1 | 108.5 | 0.4 | 112.7 | D503 M504 F505 V509 S510 I511 | D503-R507 VanDerWaalsContact O-CB 3.24Å; D503-R507 WeakPolarHBondContact O-CB 3.17Å; D503-R507 PolarHBondContact O-N 2.91Å; D503-R507 IonicContact OD1-CZ 3.78Å; D503-R507 IonicContact OD1-NH2 3.25Å; D503-R507 PolarHBondContact OD1-NH2 3.01Å; D503-R507 IonicContact OD2-CZ 2.92Å; D503-R507 IonicContact OD2-NH1 2.81Å; D503-R507 IonicContact OD2-NH2 3.62Å; D503-R507 PolarHBondContact OD2-NH2 3.24Å; M504-R507 PolarHBondContact O-N 3.36Å; F505-R507 VanDerWaalsContact C-N 3.25Å; F505-R507 PolarHBondContact O-N 2.92Å; R507-V509 VanDerWaalsContact C-N 3.31Å; R507-V509 PolarHBondContact O-N 3.11Å; R507-S510 WeakPolarHBondContact O-CB 3.36Å; R507-S510 PolarHBondContact O-N 3.08Å; R507-S510 VanDerWaalsContact O-N 3.14Å; R507-I511 HydrophobicContact CG-CD1 4.07Å; R507-I511 WeakPolarHBondContact O-CG1 3.49Å; R507-I511 PolarHBondContact O-N 3.2Å |
| 508 | E | 90.5 | Very high | 82.7 | Confident | 6 Ų | 6 | 46.1 Ų | 46.1 | 3% | 0.028 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.9 | -44.9 | 178.6 | -174.6 | 174 | -170.3 | 0 | 0 | 110.4 | K489 Y491 M504 F505 S510 I511 L512 I536 F606 G607 | K489-E508 IonicContact NZ-OE1 3.01Å; K489-E508 PolarHBondContact NZ-OE1 2.73Å; K489-E508 IonicContact NZ-OE2 2.73Å; K489-E508 PolarHBondContact NZ-OE2 3.11Å; Y491-E508 PolarHBondContact OH-OE2 2.63Å; M504-E508 WeakPolarHBondContact O-CB 3.5Å; M504-E508 PolarHBondContact O-N 2.86Å; F505-E508 PolarHBondContact O-N 2.89Å; E508-S510 PolarHBondContact O-N 3.43Å; E508-I511 PolarHBondContact O-N 2.88Å; E508-L512 HydrophobicContact CG-CD1 3.78Å; E508-L512 HydrophobicContact CG-CG 4.3Å; E508-L512 WeakPolarHBondContact O-CB 3.31Å; E508-L512 WeakPolarHBondContact O-CG 3.25Å; E508-L512 PolarHBondContact O-N 3.34Å; E508-I536 HydrophobicContact CB-CD1 3.87Å; E508-I536 VanDerWaalsContact CD-CD1 3.49Å; E508-I536 HydrophobicContact CG-CD1 3.65Å; E508-I536 VanDerWaalsContact OE2-CD1 3.32Å; E508-I536 WeakPolarHBondContact OE2-CD1 3.27Å; E508-F606 HydrophobicContact CG-CB 4.07Å; E508-F606 PolarHBondContact OE1-N 3.43Å; E508-G607 PolarHBondContact OE1-N 3.26Å |
| 509 | V | 92.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.6 | -42.6 | 175.1 | 176.8 | 0 | 0 | 0 | 0 | 111.7 | L447 L451 F505 R507 I511 L512 C513 F523 A526 I536 | L447-V509 HydrophobicContact CD1-CB 4.49Å; L447-V509 HydrophobicContact CD1-CG1 4.04Å; L447-V509 HydrophobicContact CD2-CB 3.94Å; L447-V509 HydrophobicContact CD2-CG1 3.99Å; L447-V509 HydrophobicContact CG-CG1 4.39Å; L451-V509 HydrophobicContact CD1-CG1 4.08Å; L451-V509 HydrophobicContact CD2-CG1 4.2Å; F505-V509 HydrophobicContact CD2-CG2 4.39Å; F505-V509 HydrophobicContact CE1-CG2 4.29Å; F505-V509 HydrophobicContact CE2-CG2 4.03Å; F505-V509 HydrophobicContact CZ-CG2 3.98Å; F505-V509 WeakPolarHBondContact O-CG2 3.23Å; F505-V509 PolarHBondContact O-N 3.49Å; R507-V509 VanDerWaalsContact C-N 3.31Å; R507-V509 PolarHBondContact O-N 3.11Å; V509-I511 VanDerWaalsContact C-N 3.28Å; V509-I511 PolarHBondContact O-N 3.27Å; V509-L512 PolarHBondContact O-N 3.04Å; V509-C513 WeakPolarHBondContact O-CB 3.27Å; V509-C513 PolarHBondContact O-N 3.32Å; V509-C513 PolarHBondContact O-SG 3.48Å; V509-C513 VanDerWaalsContact O-SG 3.34Å; V509-F523 HydrophobicContact CG1-CZ 4.02Å; V509-A526 HydrophobicContact CG1-CB 4.1Å; V509-A526 HydrophobicContact CG2-CB 3.83Å; V509-I536 HydrophobicContact CG2-CD1 3.83Å; V509-I536 HydrophobicContact CG2-CG1 3.9Å |
| 510 | S | 91.8 | Very high | 87.8 | Confident | 28 Ų | 28 | 35.5 Ų | 35.5 | 20% | 0.196 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65 | -30.4 | 179 | -61.5 | 0 | 0 | 0 | 0 | 113.4 | L447 C506 R507 E508 C513 R514 | L447-S510 WeakPolarHBondContact CD1-OG 3.5Å; C506-S510 WeakPolarHBondContact O-CB 3.42Å; C506-S510 PolarHBondContact O-N 3.25Å; C506-S510 PolarHBondContact O-OG 2.89Å; R507-S510 WeakPolarHBondContact O-CB 3.36Å; R507-S510 PolarHBondContact O-N 3.08Å; R507-S510 VanDerWaalsContact O-N 3.14Å; E508-S510 PolarHBondContact O-N 3.43Å; S510-C513 PolarHBondContact O-SG 3.44Å; S510-C513 VanDerWaalsContact O-SG 3.39Å; S510-R514 WeakPolarHBondContact O-CD 3.38Å; S510-R514 PolarHBondContact O-NE 3.42Å |
| 511 | I | 92.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -75 | -59.1 | 173.8 | -74.8 | 170.2 | 0 | 0 | 0 | 108.9 | R507 E508 V509 C513 R514 L515 I583 F606 S609 F611 | R507-I511 HydrophobicContact CG-CD1 4.07Å; R507-I511 WeakPolarHBondContact O-CG1 3.49Å; R507-I511 PolarHBondContact O-N 3.2Å; E508-I511 PolarHBondContact O-N 2.88Å; V509-I511 VanDerWaalsContact C-N 3.28Å; V509-I511 PolarHBondContact O-N 3.27Å; I511-C513 VanDerWaalsContact C-N 3.27Å; I511-C513 PolarHBondContact O-N 2.98Å; I511-R514 PolarHBondContact O-N 3.07Å; I511-L515 HydrophobicContact CG2-CD1 3.94Å; I511-L515 HydrophobicContact CG2-CG 4.39Å; I511-L515 WeakPolarHBondContact O-CG 3.33Å; I511-I583 HydrophobicContact CD1-CG2 4.47Å; I511-I583 HydrophobicContact CG2-CD1 4.07Å; I511-I583 HydrophobicContact CG2-CG2 4.28Å; I511-F606 HydrophobicContact CG2-CB 4.3Å; I511-F606 HydrophobicContact CG2-CD1 3.85Å; I511-F606 HydrophobicContact CG2-CG 4.34Å; I511-S609 WeakPolarHBondContact CD1-O 3.46Å; I511-F611 HydrophobicContact CB-CZ 4.43Å; I511-F611 HydrophobicContact CD1-CE2 4.47Å; I511-F611 HydrophobicContact CG1-CD2 4.34Å; I511-F611 HydrophobicContact CG1-CE1 4.11Å; I511-F611 HydrophobicContact CG1-CE2 3.67Å; I511-F611 HydrophobicContact CG1-CZ 3.53Å |
| 512 | L | 94.6 | Very high | 90.7 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.2 | -37.6 | -173.6 | -77.9 | 174.8 | 0 | 0 | 0 | 113.1 | E508 V509 R514 L515 I521 F523 I536 T538 F606 | E508-L512 HydrophobicContact CG-CD1 3.78Å; E508-L512 HydrophobicContact CG-CG 4.3Å; E508-L512 WeakPolarHBondContact O-CB 3.31Å; E508-L512 WeakPolarHBondContact O-CG 3.25Å; E508-L512 PolarHBondContact O-N 3.34Å; V509-L512 PolarHBondContact O-N 3.04Å; L512-R514 PolarHBondContact O-N 3.47Å; L512-R514 VanDerWaalsContact O-N 3.15Å; L512-L515 HydrophobicContact CD2-CD1 4.4Å; L512-L515 PolarHBondContact O-N 2.93Å; L512-I521 HydrophobicContact CD2-CG2 4.14Å; L512-F523 HydrophobicContact CB-CB 3.99Å; L512-F523 HydrophobicContact CB-CD1 4.44Å; L512-F523 HydrophobicContact CB-CD2 3.8Å; L512-F523 HydrophobicContact CB-CE2 4.41Å; L512-F523 HydrophobicContact CB-CG 3.82Å; L512-F523 HydrophobicContact CD1-CD2 4.01Å; L512-F523 HydrophobicContact CD1-CE2 4.45Å; L512-I536 HydrophobicContact CD1-CG2 3.62Å; L512-T538 HydrophobicContact CD1-CG2 4.43Å; L512-F606 HydrophobicContact CD2-CB 4.22Å; L512-F606 HydrophobicContact CD2-CD2 3.52Å; L512-F606 HydrophobicContact CD2-CE2 4.13Å; L512-F606 HydrophobicContact CD2-CG 3.95Å; L512-F606 HydrophobicContact CG-CB 4.29Å; L512-F606 HydrophobicContact CG-CD2 4.47Å |
| 513 | C | 93.4 | Very high | 91.7 | Very high | 33 Ų | 33 | 37 Ų | 37 | 22% | 0.223 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -11.7 | -179.5 | 74.8 | 0 | 0 | 0 | 0 | 114.6 | L451 F455 V509 S510 I511 F523 | L451-C513 HydrophobicContact CD1-CB 3.58Å; F455-C513 HydrophobicContact CD2-CB 4.32Å; F455-C513 HydrophobicContact CE2-CB 4.26Å; V509-C513 WeakPolarHBondContact O-CB 3.27Å; V509-C513 PolarHBondContact O-N 3.32Å; V509-C513 PolarHBondContact O-SG 3.48Å; V509-C513 VanDerWaalsContact O-SG 3.34Å; S510-C513 PolarHBondContact O-SG 3.44Å; S510-C513 VanDerWaalsContact O-SG 3.39Å; I511-C513 VanDerWaalsContact C-N 3.27Å; I511-C513 PolarHBondContact O-N 2.98Å; C513-F523 HydrophobicContact CB-CD1 3.97Å; C513-F523 HydrophobicContact CB-CE1 3.88Å |
| 514 | R | 90.8 | Very high | 92.6 | Very high | 138 Ų | 138 | 36.8 Ų | 36.8 | 52% | 0.521 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -7.6 | 177.8 | -60.4 | 177 | -176.7 | 177.6 | 0.3 | 113 | S510 I511 L512 F611 | S510-R514 WeakPolarHBondContact O-CD 3.38Å; S510-R514 PolarHBondContact O-NE 3.42Å; I511-R514 PolarHBondContact O-N 3.07Å; L512-R514 PolarHBondContact O-N 3.47Å; L512-R514 VanDerWaalsContact O-N 3.15Å; R514-F611 VanDerWaalsContact NH1-CE1 3.34Å |
| 515 | L | 94.6 | Very high | 93.5 | Very high | 18 Ų | 18 | 36.4 Ų | 36.4 | 9% | 0.094 | 19% | 0.187 | C | C | . | . | trans | -91.8 | 130.4 | -175.4 | -52.4 | -176.2 | 0 | 0 | 0 | 110.5 | I511 L512 I520 Y575 L576 L579 I583 F606 | I511-L515 HydrophobicContact CG2-CD1 3.94Å; I511-L515 HydrophobicContact CG2-CG 4.39Å; I511-L515 WeakPolarHBondContact O-CG 3.33Å; L512-L515 HydrophobicContact CD2-CD1 4.4Å; L512-L515 PolarHBondContact O-N 2.93Å; L515-I520 HydrophobicContact CB-CG2 4Å; L515-I520 HydrophobicContact CD1-CG2 3.8Å; L515-Y575 HydrophobicContact CB-CE1 4.45Å; L515-Y575 HydrophobicContact CD2-CE1 4.09Å; L515-L576 HydrophobicContact CD1-CD2 3.94Å; L515-L576 HydrophobicContact CD2-CD2 3.66Å; L515-L576 HydrophobicContact CG-CD2 4.44Å; L515-L579 HydrophobicContact CD2-CD1 3.93Å; L515-I583 HydrophobicContact CD2-CD1 3.82Å; L515-F606 HydrophobicContact CD1-CD1 3.94Å; L515-F606 HydrophobicContact CD1-CE1 3.52Å; L515-F606 HydrophobicContact CD1-CE2 4.29Å; L515-F606 HydrophobicContact CD1-CG 4.48Å; L515-F606 HydrophobicContact CD1-CZ 3.73Å | ||
| 516 | N | 93.8 | Very high | 93.9 | Very high | 135 Ų | 135 | 36.4 Ų | 36.4 | 72% | 0.722 | 19% | 0.187 | S | C | * | . | trans | -148.3 | 91.1 | 173.3 | -176.3 | 23.8 | 0 | 0 | 0 | 109.4 | Y575 | N516-Y575 PolarHBondContact N-OH 2.93Å; N516-Y575 VanDerWaalsContact N-OH 3.12Å | ||
| 517 | H | 96.7 | Very high | 94.1 | Very high | 48 Ų | 48 | 36 Ų | 36 | 22% | 0.222 | 18% | 0.184 | C | C | . | . | trans | -151.5 | 140.6 | -179.8 | -172.4 | -89.8 | 0 | 0 | 0 | 109.6 | C519 I520 Y575 | H517-C519 PolarHBondContact ND1-N 2.92Å; H517-C519 VanDerWaalsContact ND1-N 3.15Å; H517-C519 PolarHBondContact O-N 2.95Å; H517-I520 HydrophobicContact CB-CB 4.19Å; H517-I520 HydrophobicContact CB-CG1 3.86Å; H517-I520 PolarHBondContact O-N 2.65Å; H517-Y575 HydrophobicContact CB-CD1 3.67Å; H517-Y575 HydrophobicContact CB-CD2 4.02Å; H517-Y575 HydrophobicContact CB-CE1 3.86Å; H517-Y575 HydrophobicContact CB-CE2 4.17Å; H517-Y575 HydrophobicContact CB-CG 3.77Å; H517-Y575 AromaticContact CD2-CD2 3.68Å; H517-Y575 AromaticContact CD2-CG 3.73Å; H517-Y575 AromaticContact CG-CG 3.75Å | ||
| 518 | P | 95.1 | Very high | 94.2 | Very high | 105 Ų | 105 | 33.6 Ų | 33.6 | 68% | 0.682 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -31.1 | -176.5 | 21.9 | -34.6 | 0 | 0 | 0 | 114 | I520 V602 | P518-I520 VanDerWaalsContact C-N 3.33Å; P518-V602 WeakPolarHBondContact O-CG1 3.49Å |
| 519 | C | 97.7 | Very high | 93.5 | Very high | 8 Ų | 8 | 37 Ų | 37 | 5% | 0.054 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 12.2 | 178.8 | -47.6 | 0 | 0 | 0 | 0 | 113.8 | H517 D568 V602 V603 | H517-C519 PolarHBondContact ND1-N 2.92Å; H517-C519 VanDerWaalsContact ND1-N 3.15Å; H517-C519 PolarHBondContact O-N 2.95Å; C519-D568 HydrophobicContact CB-CB 4.49Å; C519-D568 WeakPolarHBondContact CB-O 3.5Å; C519-V602 WeakPolarHBondContact O-CA 3.46Å; C519-V603 PolarHBondContact O-N 3.29Å |
| 520 | I | 97.7 | Very high | 92.6 | Very high | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | B | Isolated β-bridge | trans | -121.6 | 140 | 177.7 | -61.7 | -69.5 | 0 | 0 | 0 | 108.5 | L515 H517 P518 Q522 Y575 L576 V603 F606 | L515-I520 HydrophobicContact CB-CG2 4Å; L515-I520 HydrophobicContact CD1-CG2 3.8Å; H517-I520 HydrophobicContact CB-CB 4.19Å; H517-I520 HydrophobicContact CB-CG1 3.86Å; H517-I520 PolarHBondContact O-N 2.65Å; P518-I520 VanDerWaalsContact C-N 3.33Å; I520-Q522 PolarHBondContact O-N 2.94Å; I520-Y575 HydrophobicContact CG1-CD1 4.06Å; I520-L576 HydrophobicContact CD1-CD1 4.05Å; I520-L576 HydrophobicContact CD1-CD2 4.2Å; I520-L576 HydrophobicContact CD1-CG 3.99Å; I520-V603 HydrophobicContact CD1-CB 4.06Å; I520-F606 HydrophobicContact CD1-CZ 4.15Å; I520-F606 HydrophobicContact CG2-CE2 4.15Å; I520-F606 HydrophobicContact CG2-CZ 3.79Å |
| 521 | I | 96.3 | Very high | 91.7 | Very high | 7 Ų | 7 | 41.6 Ų | 41.6 | 4% | 0.036 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -57.2 | 126.2 | 178.8 | -163.7 | 71.9 | 0 | 0 | 0 | 111.3 | L512 F523 T538 Q539 V541 L594 V602 V603 A604 F606 | L512-I521 HydrophobicContact CD2-CG2 4.14Å; I521-F523 PolarHBondContact O-N 3.26Å; I521-T538 HydrophobicContact CG1-CG2 4.3Å; I521-T538 HydrophobicContact CG2-CG2 4.47Å; I521-Q539 HydrophobicContact CD1-CG 3.5Å; I521-Q539 HydrophobicContact CG1-CG 4.08Å; I521-V541 HydrophobicContact CD1-CG2 3.57Å; I521-L594 HydrophobicContact CD1-CD1 4.13Å; I521-V602 HydrophobicContact CD1-CG2 4.02Å; I521-V603 PolarHBondContact N-O 2.9Å; I521-A604 HydrophobicContact CB-CB 4.05Å; I521-A604 HydrophobicContact CG1-CB 4.4Å; I521-A604 HydrophobicContact CG2-CB 4.23Å; I521-F606 HydrophobicContact CG2-CD2 4.15Å; I521-F606 HydrophobicContact CG2-CE2 3.78Å |
| 522 | Q | 95.4 | Very high | 90.7 | Very high | 114 Ų | 114 | 44.7 Ų | 44.7 | 53% | 0.533 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -73.1 | 128.9 | -179.6 | -168.5 | 177.8 | 15 | 0 | 0 | 111.6 | I520 T538 Q539 | I520-Q522 PolarHBondContact O-N 2.94Å; Q522-T538 CarbonylContact O-C 3.54Å; Q522-T538 VanDerWaalsContact O-CA 3.27Å; Q522-T538 WeakPolarHBondContact O-CA 3.45Å; Q522-T538 WeakPolarHBondContact O-CB 3.19Å; Q522-Q539 HydrophobicContact CB-CB 4.15Å; Q522-Q539 VanDerWaalsContact CB-CD 3.46Å; Q522-Q539 HydrophobicContact CB-CG 3.93Å; Q522-Q539 PolarHBondContact O-N 3.33Å |
| 523 | F | 96.8 | Very high | 90 | Very high | 9 Ų | 9 | 47.8 Ų | 47.8 | 4% | 0.039 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 129.1 | 172.1 | -175.5 | -122.6 | 0 | 0 | 0 | 111.3 | L451 F455 V509 L512 C513 I521 G525 A526 I536 | L451-F523 HydrophobicContact CD1-CE1 4.28Å; F455-F523 HydrophobicContact CB-CE1 3.93Å; F455-F523 AromaticContact CD1-CD1 3.64Å; F455-F523 HydrophobicContact CD1-CD1 3.64Å; F455-F523 AromaticContact CD1-CE1 3.72Å; F455-F523 HydrophobicContact CD1-CE1 3.72Å; F455-F523 HydrophobicContact CD2-CD1 4.43Å; F455-F523 HydrophobicContact CD2-CE1 4.26Å; F455-F523 AromaticContact CE1-CD1 3.71Å; F455-F523 HydrophobicContact CE1-CD1 3.71Å; F455-F523 HydrophobicContact CE1-CE1 4.26Å; F455-F523 HydrophobicContact CE2-CD1 4.48Å; F455-F523 HydrophobicContact CG-CD1 4.03Å; F455-F523 AromaticContact CG-CE1 3.73Å; F455-F523 HydrophobicContact CG-CE1 3.73Å; F455-F523 HydrophobicContact CZ-CD1 4.14Å; V509-F523 HydrophobicContact CG1-CZ 4.02Å; L512-F523 HydrophobicContact CB-CB 3.99Å; L512-F523 HydrophobicContact CB-CD1 4.44Å; L512-F523 HydrophobicContact CB-CD2 3.8Å; L512-F523 HydrophobicContact CB-CE2 4.41Å; L512-F523 HydrophobicContact CB-CG 3.82Å; L512-F523 HydrophobicContact CD1-CD2 4.01Å; L512-F523 HydrophobicContact CD1-CE2 4.45Å; C513-F523 HydrophobicContact CB-CD1 3.97Å; C513-F523 HydrophobicContact CB-CE1 3.88Å; I521-F523 PolarHBondContact O-N 3.26Å; F523-G525 VanDerWaalsContact CE2-C 3.46Å; F523-G525 WeakPolarHBondContact CE2-O 3.5Å; F523-G525 VanDerWaalsContact CZ-CA 3.5Å; F523-A526 HydrophobicContact CE2-CB 4.36Å; F523-A526 HydrophobicContact CZ-CB 3.95Å; F523-I536 HydrophobicContact CD2-CG2 4.25Å; F523-I536 HydrophobicContact CE2-CG2 3.88Å |
| 524 | V | 96.2 | Very high | 89.8 | Confident | 47 Ų | 47 | 46.5 Ų | 46.5 | 29% | 0.285 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | -37.7 | 179.7 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | F455 V486 V537 | F455-V524 WeakPolarHBondContact CD1-O 3.32Å; V486-V524 HydrophobicContact CG1-CG1 4.41Å; V486-V524 HydrophobicContact CG1-CG2 4.25Å; V524-V537 WeakPolarHBondContact CA-O 3.5Å; V524-V537 HydrophobicContact CB-CB 4.26Å; V524-V537 HydrophobicContact CB-CG1 3.96Å; V524-V537 WeakPolarHBondContact CB-O 3.29Å; V524-V537 HydrophobicContact CG1-CG1 4.09Å; V524-V537 PolarHBondContact N-O 3.1Å |
| 525 | G | 95.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.4 | -179.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | F455 F523 V537 | F455-G525 CarbonylContact O-C 3.57Å; F455-G525 WeakPolarHBondContact O-CA 3.47Å; F523-G525 VanDerWaalsContact CE2-C 3.46Å; F523-G525 WeakPolarHBondContact CE2-O 3.5Å; F523-G525 VanDerWaalsContact CZ-CA 3.5Å; G525-V537 PolarHBondContact N-O 2.79Å; G525-V537 WeakPolarHBondContact O-CA 3.27Å; G525-V537 WeakPolarHBondContact O-CB 3.47Å; G525-V537 PolarHBondContact O-N 3.27Å |
| 526 | A | 95.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 148.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F455 L457 F505 V509 F523 L528 A535 | F455-A526 PolarHBondContact O-N 3.24Å; L457-A526 PolarHBondContact N-O 3.29Å; L457-A526 VanDerWaalsContact N-O 3.12Å; F505-A526 HydrophobicContact CZ-CB 4.38Å; V509-A526 HydrophobicContact CG1-CB 4.1Å; V509-A526 HydrophobicContact CG2-CB 3.83Å; F523-A526 HydrophobicContact CE2-CB 4.36Å; F523-A526 HydrophobicContact CZ-CB 3.95Å; A526-L528 HydrophobicContact CB-CD2 3.96Å; A526-L528 HydrophobicContact CB-CG 4.37Å; A526-A535 CarbonylContact C-O 3.58Å; A526-A535 VanDerWaalsContact CA-O 3.25Å; A526-A535 WeakPolarHBondContact CA-O 3.38Å |
| 527 | C | 92.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 114.1 | 170.2 | -60.8 | 0 | 0 | 0 | 0 | 109.3 | L457 F505 Q533 F534 A535 | L457-C527 VanDerWaalsContact O-CA 3.3Å; L457-C527 WeakPolarHBondContact O-CA 3.09Å; L457-C527 PolarHBondContact O-SG 3.08Å; F505-C527 WeakPolarHBondContact CZ-O 3.5Å; C527-Q533 WeakPolarHBondContact CB-O 3.42Å; C527-F534 WeakPolarHBondContact O-CA 3.29Å; C527-A535 HydrophobicContact CB-CB 4.1Å; C527-A535 PolarHBondContact N-O 3.44Å |
| 528 | L | 87.8 | Confident | 89.8 | Confident | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | trans | -114.4 | 1.2 | -170.3 | -57.5 | -179.3 | 0 | 0 | 0 | 113.9 | L447 R448 L451 F505 A526 | L447-L528 HydrophobicContact CD2-CD2 4Å; L447-L528 HydrophobicContact CG-CD1 4.32Å; R448-L528 HydrophobicContact CB-CD1 4.29Å; R448-L528 HydrophobicContact CG-CD1 4.5Å; R448-L528 PolarHBondContact NH2-O 3.15Å; L451-L528 HydrophobicContact CD2-CD1 3.7Å; F505-L528 HydrophobicContact CE1-CD2 3.39Å; F505-L528 HydrophobicContact CZ-CD2 3.58Å; A526-L528 HydrophobicContact CB-CD2 3.96Å; A526-L528 HydrophobicContact CB-CG 4.37Å | ||
| 529 | D | 77.3 | Confident | 89.8 | Confident | 78 Ų | 78 | 28 Ų | 28 | 42% | 0.417 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -64.9 | -47.6 | -164.7 | -68.6 | -38 | 0 | 0 | 0 | 113.5 | R448 | R448-D529 PolarHBondContact NH2-O 3.3Š|
| 530 | D | 73.3 | Confident | 89.7 | Confident | 73 Ų | 73 | 30.7 Ų | 30.7 | 39% | 0.39 | 16% | 0.162 | S | C | . | . | trans | -147.7 | 147.3 | -179.9 | -179.4 | 80.7 | 0 | 0 | 0 | 110.4 | S532 Q533 F534 | D530-S532 PolarHBondContact O-N 3.41Å; D530-S532 VanDerWaalsContact O-N 3.13Å; D530-S532 VanDerWaalsContact OD2-CB 3.24Å; D530-S532 WeakPolarHBondContact OD2-CB 3.42Å; D530-S532 PolarHBondContact OD2-N 2.85Å; D530-S532 PolarHBondContact OD2-OG 3.33Å; D530-Q533 HydrophobicContact CB-CG 4.46Å; D530-Q533 CarbonylContact O-C 3.46Å; D530-Q533 WeakPolarHBondContact O-CA 3.34Å; D530-Q533 PolarHBondContact O-N 3.16Å; D530-F534 VanDerWaalsContact O-CD1 3.25Å; D530-F534 WeakPolarHBondContact O-CD1 3.43Å; D530-F534 PolarHBondContact O-N 3.14Å | ||
| 531 | P | 71.8 | Confident | 89.5 | Confident | 50 Ų | 50 | 30.8 Ų | 30.8 | 33% | 0.325 | 16% | 0.163 | S | C | . | . | G | 310 helix | trans | -54 | -31.2 | 179 | -28.7 | 36.7 | 0 | 0 | 0 | 115 | A493 Q533 F534 | A493-P531 HydrophobicContact CB-CB 4.19Å; A493-P531 WeakPolarHBondContact CB-O 3.38Å; P531-Q533 PolarHBondContact O-N 3.43Å; P531-F534 HydrophobicContact CB-CD2 4.46Å; P531-F534 HydrophobicContact CB-CE2 4.13Å; P531-F534 HydrophobicContact CB-CZ 4.25Å; P531-F534 HydrophobicContact CG-CE2 4.32Å; P531-F534 HydrophobicContact CG-CZ 4.05Å; P531-F534 PolarHBondContact O-N 2.82Å |
| 532 | S | 72.6 | Confident | 89.1 | Confident | 65 Ų | 65 | 32.9 Ų | 32.9 | 46% | 0.455 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -68.4 | -16 | 175.3 | 67.2 | 0 | 0 | 0 | 0 | 113.7 | R490 D530 | R490-S532 PolarHBondContact NH2-O 3.21Å; D530-S532 PolarHBondContact O-N 3.41Å; D530-S532 VanDerWaalsContact O-N 3.13Å; D530-S532 VanDerWaalsContact OD2-CB 3.24Å; D530-S532 WeakPolarHBondContact OD2-CB 3.42Å; D530-S532 PolarHBondContact OD2-N 2.85Å; D530-S532 PolarHBondContact OD2-OG 3.33Å |
| 533 | Q | 78.9 | Confident | 88.7 | Confident | 68 Ų | 68 | 28.6 Ų | 28.6 | 32% | 0.318 | 17% | 0.165 | S | C | . | . | G | 310 helix | trans | -112.2 | 5.9 | -176.3 | -56.4 | -169.1 | 28.4 | 0 | 0 | 113.4 | L459 C527 D530 P531 A535 | L459-Q533 HydrophobicContact CD2-CB 4.18Å; L459-Q533 HydrophobicContact CD2-CG 4.11Å; C527-Q533 WeakPolarHBondContact CB-O 3.42Å; D530-Q533 HydrophobicContact CB-CG 4.46Å; D530-Q533 CarbonylContact O-C 3.46Å; D530-Q533 WeakPolarHBondContact O-CA 3.34Å; D530-Q533 PolarHBondContact O-N 3.16Å; P531-Q533 PolarHBondContact O-N 3.43Å; Q533-A535 PolarHBondContact O-N 2.87Å |
| 534 | F | 89.8 | Confident | 88.4 | Confident | 6 Ų | 6 | 29.5 Ų | 29.5 | 3% | 0.026 | 18% | 0.177 | C | C | . | . | trans | -59.1 | 124 | 179.8 | -75.1 | -5.8 | 0 | 0 | 0 | 112.4 | V444 Y491 V502 F505 C527 D530 P531 | V444-F534 HydrophobicContact CG1-CE1 4.3Å; V444-F534 HydrophobicContact CG1-CZ 4.07Å; V444-F534 HydrophobicContact CG2-CE2 4.33Å; V444-F534 HydrophobicContact CG2-CZ 3.66Å; Y491-F534 PolarHBondContact N-O 3.47Å; V502-F534 HydrophobicContact CB-CE2 4.49Å; V502-F534 HydrophobicContact CG1-CE2 4.13Å; V502-F534 HydrophobicContact CG2-CE2 4.15Å; F505-F534 HydrophobicContact CB-CD2 4.19Å; F505-F534 HydrophobicContact CD1-CB 4.45Å; F505-F534 HydrophobicContact CD1-CD1 4.26Å; F505-F534 AromaticContact CD1-CD2 3.46Å; F505-F534 HydrophobicContact CD1-CD2 3.46Å; F505-F534 VanDerWaalsContact CD1-CD2 3.46Å; F505-F534 HydrophobicContact CD1-CE1 4.38Å; F505-F534 AromaticContact CD1-CE2 3.61Å; F505-F534 HydrophobicContact CD1-CE2 3.61Å; F505-F534 AromaticContact CD1-CG 3.82Å; F505-F534 HydrophobicContact CD1-CG 3.82Å; F505-F534 HydrophobicContact CD1-CZ 4.09Å; F505-F534 HydrophobicContact CD2-CB 3.99Å; F505-F534 HydrophobicContact CD2-CD2 4.21Å; F505-F534 HydrophobicContact CD2-CG 4.24Å; F505-F534 HydrophobicContact CE1-CB 4.23Å; F505-F534 AromaticContact CE1-CD1 3.7Å; F505-F534 HydrophobicContact CE1-CD1 3.7Å; F505-F534 AromaticContact CE1-CD2 3.78Å; F505-F534 HydrophobicContact CE1-CD2 3.78Å; F505-F534 AromaticContact CE1-CE1 3.93Å; F505-F534 HydrophobicContact CE1-CE1 3.93Å; F505-F534 AromaticContact CE1-CE2 4Å; F505-F534 HydrophobicContact CE1-CE2 4Å; F505-F534 AromaticContact CE1-CG 3.63Å; F505-F534 HydrophobicContact CE1-CG 3.63Å; F505-F534 HydrophobicContact CE1-CZ 4.08Å; F505-F534 HydrophobicContact CE2-CB 3.74Å; F505-F534 HydrophobicContact CE2-CD2 4.48Å; F505-F534 HydrophobicContact CE2-CG 4.08Å; F505-F534 HydrophobicContact CG-CB 4.33Å; F505-F534 AromaticContact CG-CD2 3.69Å; F505-F534 HydrophobicContact CG-CD2 3.69Å; F505-F534 HydrophobicContact CG-CE2 4.21Å; F505-F534 HydrophobicContact CG-CG 4.11Å; F505-F534 HydrophobicContact CZ-CB 3.87Å; F505-F534 AromaticContact CZ-CD1 3.92Å; F505-F534 HydrophobicContact CZ-CD1 3.92Å; F505-F534 HydrophobicContact CZ-CD2 4.28Å; F505-F534 AromaticContact CZ-CG 3.77Å; F505-F534 HydrophobicContact CZ-CG 3.77Å; C527-F534 WeakPolarHBondContact O-CA 3.29Å; D530-F534 VanDerWaalsContact O-CD1 3.25Å; D530-F534 WeakPolarHBondContact O-CD1 3.43Å; D530-F534 PolarHBondContact O-N 3.14Å; P531-F534 HydrophobicContact CB-CD2 4.46Å; P531-F534 HydrophobicContact CB-CE2 4.13Å; P531-F534 HydrophobicContact CB-CZ 4.25Å; P531-F534 HydrophobicContact CG-CE2 4.32Å; P531-F534 HydrophobicContact CG-CZ 4.05Å; P531-F534 PolarHBondContact O-N 2.82Å | ||
| 535 | A | 91.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 137.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | L462 I488 K489 A526 C527 Q533 | L462-A535 HydrophobicContact CD1-CB 4.32Å; I488-A535 HydrophobicContact CG2-CB 4.15Å; K489-A535 WeakPolarHBondContact O-CA 3.34Å; A526-A535 CarbonylContact C-O 3.58Å; A526-A535 VanDerWaalsContact CA-O 3.25Å; A526-A535 WeakPolarHBondContact CA-O 3.38Å; C527-A535 HydrophobicContact CB-CB 4.1Å; C527-A535 PolarHBondContact N-O 3.44Å; Q533-A535 PolarHBondContact O-N 2.87Å |
| 536 | I | 93.9 | Very high | 88.3 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 128.2 | 170.8 | -57.8 | -174 | 0 | 0 | 0 | 107.1 | K489 Y491 F505 E508 V509 L512 F523 T538 | K489-I536 HydrophobicContact CB-CB 4.43Å; K489-I536 PolarHBondContact N-O 2.93Å; K489-I536 PolarHBondContact O-N 2.75Å; Y491-I536 HydrophobicContact CD2-CG1 4.43Å; Y491-I536 HydrophobicContact CE2-CD1 3.68Å; Y491-I536 HydrophobicContact CE2-CG1 4.03Å; F505-I536 HydrophobicContact CD2-CD1 3.96Å; F505-I536 HydrophobicContact CD2-CG1 3.83Å; F505-I536 HydrophobicContact CE2-CD1 4.13Å; F505-I536 HydrophobicContact CE2-CG1 3.51Å; E508-I536 HydrophobicContact CB-CD1 3.87Å; E508-I536 VanDerWaalsContact CD-CD1 3.49Å; E508-I536 HydrophobicContact CG-CD1 3.65Å; E508-I536 VanDerWaalsContact OE2-CD1 3.32Å; E508-I536 WeakPolarHBondContact OE2-CD1 3.27Å; V509-I536 HydrophobicContact CG2-CD1 3.83Å; V509-I536 HydrophobicContact CG2-CG1 3.9Å; L512-I536 HydrophobicContact CD1-CG2 3.62Å; F523-I536 HydrophobicContact CD2-CG2 4.25Å; F523-I536 HydrophobicContact CE2-CG2 3.88Å; I536-T538 HydrophobicContact CG2-CG2 4.36Å |
| 537 | V | 95.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 122 | -179 | -169.7 | 0 | 0 | 0 | 0 | 108.8 | L457 L462 C481 V486 A487 I488 V524 G525 | L457-V537 HydrophobicContact CD1-CB 3.82Å; L457-V537 HydrophobicContact CD1-CG1 4.33Å; L457-V537 HydrophobicContact CD1-CG2 3.63Å; L462-V537 HydrophobicContact CD1-CG2 3.82Å; L462-V537 HydrophobicContact CD2-CG2 3.9Å; C481-V537 HydrophobicContact CB-CG1 4.45Å; V486-V537 HydrophobicContact CB-CG1 3.63Å; V486-V537 HydrophobicContact CG1-CG1 3.94Å; V486-V537 HydrophobicContact CG2-CG1 3.72Å; A487-V537 WeakPolarHBondContact O-CA 3.25Å; I488-V537 HydrophobicContact CG1-CG1 4.42Å; I488-V537 HydrophobicContact CG2-CG2 4.43Å; V524-V537 WeakPolarHBondContact CA-O 3.5Å; V524-V537 HydrophobicContact CB-CB 4.26Å; V524-V537 HydrophobicContact CB-CG1 3.96Å; V524-V537 WeakPolarHBondContact CB-O 3.29Å; V524-V537 HydrophobicContact CG1-CG1 4.09Å; V524-V537 PolarHBondContact N-O 3.1Å; G525-V537 PolarHBondContact N-O 2.79Å; G525-V537 WeakPolarHBondContact O-CA 3.27Å; G525-V537 WeakPolarHBondContact O-CB 3.47Å; G525-V537 PolarHBondContact O-N 3.27Å |
| 538 | T | 95.8 | Very high | 88.2 | Confident | 22 Ų | 22 | 30.8 Ų | 30.8 | 14% | 0.135 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 168.1 | 175.9 | 56.6 | 0 | 0 | 0 | 0 | 110.2 | V486 A487 L512 I521 Q522 I536 | V486-T538 WeakPolarHBondContact CB-O 3.3Å; A487-T538 PolarHBondContact N-O 3.15Å; A487-T538 PolarHBondContact O-N 2.95Å; L512-T538 HydrophobicContact CD1-CG2 4.43Å; I521-T538 HydrophobicContact CG1-CG2 4.3Å; I521-T538 HydrophobicContact CG2-CG2 4.47Å; Q522-T538 CarbonylContact O-C 3.54Å; Q522-T538 VanDerWaalsContact O-CA 3.27Å; Q522-T538 WeakPolarHBondContact O-CA 3.45Å; Q522-T538 WeakPolarHBondContact O-CB 3.19Å; I536-T538 HydrophobicContact CG2-CG2 4.36Å |
| 539 | Q | 94.6 | Very high | 88.4 | Confident | 32 Ų | 32 | 31.6 Ų | 31.6 | 15% | 0.15 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 146.2 | 170.7 | 69.8 | -176.5 | 10.8 | 0 | 0 | 110.8 | I521 Q522 V541 Y596 | I521-Q539 HydrophobicContact CD1-CG 3.5Å; I521-Q539 HydrophobicContact CG1-CG 4.08Å; Q522-Q539 HydrophobicContact CB-CB 4.15Å; Q522-Q539 VanDerWaalsContact CB-CD 3.46Å; Q522-Q539 HydrophobicContact CB-CG 3.93Å; Q522-Q539 PolarHBondContact O-N 3.33Å; Q539-V541 HydrophobicContact CG-CG2 4.29Å; Q539-Y596 PolarHBondContact NE2-OH 3.47Å |
| 540 | Y | 94.8 | Very high | 89 | Confident | 63 Ų | 63 | 28.5 Ų | 28.5 | 25% | 0.247 | 17% | 0.171 | C | C | . | . | trans | -86.4 | 131.2 | 171.2 | 177 | -106 | 0 | 0 | 0 | 110.2 | I468 R478 I485 | I468-Y540 HydrophobicContact CD1-CD2 3.97Å; I468-Y540 HydrophobicContact CD1-CE2 3.86Å; R478-Y540 HydrophobicContact CB-CD2 4.41Å; R478-Y540 HydrophobicContact CB-CE2 4.18Å; R478-Y540 HydrophobicContact CG-CD2 3.99Å; R478-Y540 HydrophobicContact CG-CE2 3.86Å; R478-Y540 HydrophobicContact CG-CG 4.46Å; I485-Y540 HydrophobicContact CG2-CD1 3.69Å; I485-Y540 HydrophobicContact CG2-CE1 4.44Å; I485-Y540 HydrophobicContact CG2-CG 3.87Å | ||
| 541 | V | 94.2 | Very high | 89.9 | Confident | 8 Ų | 8 | 26.5 Ų | 26.5 | 5% | 0.048 | 16% | 0.16 | C | C | . | . | trans | -111.4 | 114.3 | 178 | 178.2 | 0 | 0 | 0 | 0 | 108 | I521 Q539 L594 L595 Y596 V602 | I521-V541 HydrophobicContact CD1-CG2 3.57Å; Q539-V541 HydrophobicContact CG-CG2 4.29Å; V541-L594 HydrophobicContact CB-CB 4Å; V541-L594 HydrophobicContact CB-CD1 4.16Å; V541-L594 HydrophobicContact CG1-CB 3.76Å; V541-L594 HydrophobicContact CG2-CB 4.31Å; V541-L594 HydrophobicContact CG2-CD1 4.24Å; V541-L595 WeakPolarHBondContact CG1-O 3.41Å; V541-Y596 HydrophobicContact CG1-CD1 3.99Å; V541-Y596 HydrophobicContact CG1-CE1 4.21Å; V541-Y596 HydrophobicContact CG1-CG 4.29Å; V541-Y596 HydrophobicContact CG2-CE1 4.03Å; V541-V602 HydrophobicContact CG2-CG2 3.94Å | ||
| 542 | S | 88.4 | Confident | 90.8 | Very high | 50 Ų | 50 | 30.4 Ų | 30.4 | 35% | 0.35 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -24 | -164.3 | 55 | 0 | 0 | 0 | 0 | 115.4 | G544 E597 | S542-G544 PolarHBondContact O-N 3.1Å; S542-E597 VanDerWaalsContact CB-OE1 3.31Å; S542-E597 WeakPolarHBondContact CB-OE1 3.46Å; S542-E597 WeakPolarHBondContact OG-CG 3.45Å; S542-E597 PolarHBondContact OG-OE1 3.4Å |
| 543 | G | 86.3 | Confident | 91.5 | Very high | 24 Ų | 24 | 32 Ų | 32 | 25% | 0.247 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -5.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L595 | G543-L595 CarbonylContact C-O 3.57Å; G543-L595 WeakPolarHBondContact CA-O 3.34Å; G543-L595 PolarHBondContact N-O 2.96Å |
| 544 | G | 90.9 | Very high | 91.8 | Very high | 29 Ų | 29 | 36.6 Ų | 36.6 | 30% | 0.299 | 19% | 0.193 | S | C | . | . | trans | 76 | -163.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S542 L594 L595 | S542-G544 PolarHBondContact O-N 3.1Å; G544-L594 CarbonylContact O-C 3.58Å; G544-L594 WeakPolarHBondContact O-CA 3.32Å; G544-L595 PolarHBondContact O-N 3.37Å | ||
| 545 | S | 94.2 | Very high | 91.4 | Very high | 16 Ų | 16 | 44.1 Ų | 44.1 | 11% | 0.112 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -82.5 | 151.8 | -179.6 | 75.8 | 0 | 0 | 0 | 0 | 112.4 | F547 S548 L549 H591 I593 | S545-F547 PolarHBondContact O-N 3.45Å; S545-S548 PolarHBondContact O-N 3.14Å; S545-S548 VanDerWaalsContact O-N 3.16Å; S545-S548 WeakPolarHBondContact OG-CB 3.48Å; S545-S548 PolarHBondContact OG-N 3.45Å; S545-S548 PolarHBondContact OG-OG 3.4Å; S545-S548 VanDerWaalsContact OG-OG 3.05Å; S545-L549 PolarHBondContact O-N 3.11Å; S545-L549 VanDerWaalsContact O-N 3.09Å; S545-H591 WeakPolarHBondContact CB-O 3.5Å; S545-I593 CarbonylContact C-O 3.56Å; S545-I593 WeakPolarHBondContact CA-O 3.49Å |
| 546 | L | 94.9 | Very high | 91 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.5 | -38.3 | 172.5 | 176.3 | 62.1 | 0 | 0 | 0 | 111.2 | S548 L549 L550 S590 I593 L595 L657 | L546-S548 PolarHBondContact O-N 2.8Å; L546-L549 PolarHBondContact O-N 3Å; L546-L550 HydrophobicContact CD1-CD1 3.78Å; L546-L550 HydrophobicContact CD1-CD2 4.49Å; L546-L550 HydrophobicContact CD1-CG 3.86Å; L546-L550 HydrophobicContact CD2-CD1 4.41Å; L546-L550 HydrophobicContact CG-CD1 3.84Å; L546-L550 HydrophobicContact CG-CG 4.3Å; L546-L550 WeakPolarHBondContact O-CG 3.5Å; L546-L550 PolarHBondContact O-N 3.22Å; L546-S590 WeakPolarHBondContact CB-O 3.48Å; L546-S590 PolarHBondContact N-O 3.35Å; L546-I593 HydrophobicContact CB-CB 4.06Å; L546-I593 HydrophobicContact CB-CG2 4.07Å; L546-I593 HydrophobicContact CD2-CB 4.45Å; L546-I593 HydrophobicContact CD2-CD1 4.15Å; L546-I593 HydrophobicContact CD2-CG2 4.28Å; L546-I593 PolarHBondContact N-O 2.93Å; L546-L595 HydrophobicContact CB-CD1 4.43Å; L546-L595 HydrophobicContact CD1-CD1 4Å; L546-L657 HydrophobicContact CD1-CD1 3.76Å; L546-L657 HydrophobicContact CD2-CD1 4.37Å |
| 547 | F | 94.1 | Very high | 90.7 | Very high | 33 Ų | 33 | 54 Ų | 54 | 15% | 0.145 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.1 | -48.5 | 175 | -176.6 | -85.1 | 0 | 0 | 0 | 112 | S545 L549 L550 H551 E552 S590 H591 I662 | S545-F547 PolarHBondContact O-N 3.45Å; F547-L549 VanDerWaalsContact C-N 3.29Å; F547-L549 PolarHBondContact O-N 3.2Å; F547-L550 PolarHBondContact O-N 3.46Å; F547-H551 AromaticContact CD2-CD2 3.46Å; F547-H551 VanDerWaalsContact CD2-CD2 3.46Å; F547-H551 WeakPolarHBondContact CD2-CD2 3.36Å; F547-H551 HydrophobicContact CE1-CB 4.26Å; F547-H551 HydrophobicContact CE2-CB 4.44Å; F547-H551 AromaticContact CE2-CD2 3.59Å; F547-H551 AromaticContact CG-CD2 3.96Å; F547-H551 HydrophobicContact CZ-CB 4.18Å; F547-H551 WeakPolarHBondContact O-CB 3.38Å; F547-H551 PolarHBondContact O-N 3.46Å; F547-E552 HydrophobicContact CD1-CG 4.44Å; F547-E552 HydrophobicContact CE1-CG 4.26Å; F547-S590 PolarHBondContact N-O 3.42Å; F547-H591 AromaticContact CD1-CE1 3.28Å; F547-H591 WeakPolarHBondContact CD1-CE1 3.37Å; F547-H591 AromaticContact CD1-ND1 3.65Å; F547-H591 AromaticContact CD2-CE1 3.39Å; F547-H591 WeakPolarHBondContact CD2-CE1 3.45Å; F547-H591 AromaticContact CD2-NE2 3.42Å; F547-H591 WeakPolarHBondContact CD2-NE2 3.46Å; F547-H591 AromaticContact CE1-CE1 3.55Å; F547-H591 AromaticContact CE2-CE1 3.65Å; F547-H591 AromaticContact CE2-NE2 3.62Å; F547-H591 AromaticContact CG-CE1 3.2Å; F547-H591 WeakPolarHBondContact CG-CE1 3.49Å; F547-H591 AromaticContact CG-ND1 3.47Å; F547-H591 WeakPolarHBondContact CG-ND1 3.47Å; F547-H591 AromaticContact CG-NE2 3.72Å; F547-H591 AromaticContact CZ-CE1 3.73Å; F547-I662 HydrophobicContact CE2-CD1 3.89Å; F547-I662 HydrophobicContact CE2-CG1 4.28Å; F547-I662 HydrophobicContact CZ-CD1 4.16Å |
| 548 | S | 91.7 | Very high | 90.3 | Very high | 23 Ų | 23 | 58 Ų | 58 | 16% | 0.161 | 29% | 0.294 | C | S | . | . | I | π-helix | trans | -60.3 | -40.3 | 177.6 | -66.3 | 0 | 0 | 0 | 0 | 111.6 | S545 L546 E552 Q553 | S545-S548 PolarHBondContact O-N 3.14Å; S545-S548 VanDerWaalsContact O-N 3.16Å; S545-S548 WeakPolarHBondContact OG-CB 3.48Å; S545-S548 PolarHBondContact OG-N 3.45Å; S545-S548 PolarHBondContact OG-OG 3.4Å; S545-S548 VanDerWaalsContact OG-OG 3.05Å; L546-S548 PolarHBondContact O-N 2.8Å; S548-E552 WeakPolarHBondContact CA-OE2 3.47Å; S548-E552 WeakPolarHBondContact CB-OE2 3.32Å; S548-E552 WeakPolarHBondContact O-CB 3.49Å; S548-E552 PolarHBondContact O-N 3.01Å; S548-E552 PolarHBondContact OG-OE2 3.45Å; S548-Q553 WeakPolarHBondContact O-CB 3.21Å; S548-Q553 WeakPolarHBondContact O-CG 3.4Å; S548-Q553 PolarHBondContact O-N 2.9Å |
| 549 | L | 91.1 | Very high | 89.9 | Confident | 20 Ų | 20 | 59.5 Ų | 59.5 | 11% | 0.105 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -65 | -47.2 | 179 | -165.5 | 76.9 | 0 | 0 | 0 | 112.3 | S545 L546 F547 K554 R555 I557 L595 | S545-L549 PolarHBondContact O-N 3.11Å; S545-L549 VanDerWaalsContact O-N 3.09Å; L546-L549 PolarHBondContact O-N 3Å; F547-L549 VanDerWaalsContact C-N 3.29Å; F547-L549 PolarHBondContact O-N 3.2Å; L549-K554 PolarHBondContact O-N 3.08Å; L549-R555 HydrophobicContact CD1-CB 4.22Å; L549-R555 VanDerWaalsContact CD1-CD 3.4Å; L549-R555 HydrophobicContact CD1-CG 4.36Å; L549-R555 HydrophobicContact CG-CB 4.24Å; L549-R555 PolarHBondContact O-N 3.43Å; L549-R555 VanDerWaalsContact O-N 3.1Å; L549-I557 HydrophobicContact CD2-CD1 3.44Å; L549-I557 VanDerWaalsContact CD2-CD1 3.44Å; L549-I557 HydrophobicContact CD2-CG1 4.12Å; L549-I557 HydrophobicContact CG-CD1 4.31Å; L549-L595 HydrophobicContact CB-CD1 4.24Å; L549-L595 HydrophobicContact CD2-CD1 3.36Å; L549-L595 HydrophobicContact CG-CD1 4.35Å |
| 550 | L | 91.6 | Very high | 89.7 | Confident | 13 Ų | 13 | 62.8 Ų | 62.8 | 7% | 0.068 | 32% | 0.316 | C | S | . | . | I | π-helix | trans | -76.3 | -44.1 | -175.9 | -68.2 | 177.2 | 0 | 0 | 0 | 113.1 | L546 F547 K554 I557 E656 | L546-L550 HydrophobicContact CD1-CD1 3.78Å; L546-L550 HydrophobicContact CD1-CD2 4.49Å; L546-L550 HydrophobicContact CD1-CG 3.86Å; L546-L550 HydrophobicContact CD2-CD1 4.41Å; L546-L550 HydrophobicContact CG-CD1 3.84Å; L546-L550 HydrophobicContact CG-CG 4.3Å; L546-L550 WeakPolarHBondContact O-CG 3.5Å; L546-L550 PolarHBondContact O-N 3.22Å; F547-L550 PolarHBondContact O-N 3.46Å; L550-K554 VanDerWaalsContact O-CA 3.29Å; L550-K554 WeakPolarHBondContact O-CA 3.48Å; L550-I557 HydrophobicContact CD2-CD1 3.72Å; L550-E656 HydrophobicContact CD1-CG 4.06Å |
| 551 | H | 91.7 | Very high | 89.5 | Confident | 32 Ų | 32 | 61.6 Ų | 61.6 | 15% | 0.148 | 32% | 0.317 | C | S | . | . | I | π-helix | trans | -108.9 | -37 | -164.9 | -57.9 | -57 | 0 | 0 | 0 | 113.7 | F547 E656 G660 I662 | F547-H551 AromaticContact CD2-CD2 3.46Å; F547-H551 VanDerWaalsContact CD2-CD2 3.46Å; F547-H551 WeakPolarHBondContact CD2-CD2 3.36Å; F547-H551 HydrophobicContact CE1-CB 4.26Å; F547-H551 HydrophobicContact CE2-CB 4.44Å; F547-H551 AromaticContact CE2-CD2 3.59Å; F547-H551 AromaticContact CG-CD2 3.96Å; F547-H551 HydrophobicContact CZ-CB 4.18Å; F547-H551 WeakPolarHBondContact O-CB 3.38Å; F547-H551 PolarHBondContact O-N 3.46Å; H551-E656 IonicContact CD2-OE1 3.83Å; H551-E656 IonicContact CE1-OE1 3.56Å; H551-E656 IonicContact NE2-OE1 3.41Å; H551-E656 PolarHBondContact NE2-OE1 2.92Å; H551-G660 PolarHBondContact CE1-O 2.87Å; H551-I662 WeakPolarHBondContact CE1-CG1 3.09Å; H551-I662 WeakPolarHBondContact NE2-CG1 3.12Å |
| 552 | E | 89.4 | Confident | 89.5 | Confident | 132 Ų | 132 | 63 Ų | 63 | 62% | 0.617 | 32% | 0.322 | S | S | * | . | I | π-helix | trans | -82.6 | -48.6 | 178.7 | -59 | 176 | 160.5 | 0 | 0 | 110.7 | F547 S548 | F547-E552 HydrophobicContact CD1-CG 4.44Å; F547-E552 HydrophobicContact CE1-CG 4.26Å; S548-E552 WeakPolarHBondContact CA-OE2 3.47Å; S548-E552 WeakPolarHBondContact CB-OE2 3.32Å; S548-E552 WeakPolarHBondContact O-CB 3.49Å; S548-E552 PolarHBondContact O-N 3.01Å; S548-E552 PolarHBondContact OG-OE2 3.45Å |
| 553 | Q | 87.2 | Confident | 89.8 | Confident | 98 Ų | 98 | 60.6 Ų | 60.6 | 46% | 0.458 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -88.1 | -19.5 | -179.4 | -60.8 | 177.7 | 23.8 | 0 | 0 | 113.1 | S548 R555 | S548-Q553 WeakPolarHBondContact O-CB 3.21Å; S548-Q553 WeakPolarHBondContact O-CG 3.4Å; S548-Q553 PolarHBondContact O-N 2.9Å; Q553-R555 HydrophobicContact CB-CG 4.2Å; Q553-R555 PolarHBondContact O-N 2.74Å |
| 554 | K | 86.8 | Confident | 90.2 | Very high | 165 Ų | 165 | 61.6 Ų | 61.6 | 72% | 0.717 | 31% | 0.305 | S | S | * | . | trans | 50.3 | 38.5 | -177.9 | -59.3 | -176.5 | 180 | 179.6 | 0 | 113.1 | L549 L550 | L549-K554 PolarHBondContact O-N 3.08Å; L550-K554 VanDerWaalsContact O-CA 3.29Å; L550-K554 WeakPolarHBondContact O-CA 3.48Å | ||
| 555 | R | 81.8 | Confident | 90.5 | Very high | 163 Ų | 163 | 60.4 Ų | 60.4 | 62% | 0.615 | 29% | 0.292 | S | S | * | . | trans | -70.6 | 134.6 | 179.9 | -85.4 | 179.2 | 168.6 | -162.7 | 3.2 | 110.2 | L549 Q553 I557 | L549-R555 HydrophobicContact CD1-CB 4.22Å; L549-R555 VanDerWaalsContact CD1-CD 3.4Å; L549-R555 HydrophobicContact CD1-CG 4.36Å; L549-R555 HydrophobicContact CG-CB 4.24Å; L549-R555 PolarHBondContact O-N 3.43Å; L549-R555 VanDerWaalsContact O-N 3.1Å; Q553-R555 HydrophobicContact CB-CG 4.2Å; Q553-R555 PolarHBondContact O-N 2.74Å; R555-I557 PolarHBondContact O-N 3.03Å | ||
| 556 | L | 81.6 | Confident | 90.6 | Very high | 181 Ų | 181 | 59.8 Ų | 59.8 | 95% | 0.948 | 29% | 0.288 | S | S | * | . | trans | -78.5 | 117.8 | 173.3 | -66.6 | 172 | 0 | 0 | 0 | 108.8 | ||||
| 557 | I | 87.6 | Confident | 90.8 | Very high | 28 Ų | 28 | 60 Ų | 60 | 14% | 0.144 | 29% | 0.289 | C | S | . | . | trans | -106.2 | 129.3 | 176.4 | -48 | 174.6 | 0 | 0 | 0 | 107.5 | L549 L550 R555 K562 L657 | L549-I557 HydrophobicContact CD2-CD1 3.44Å; L549-I557 VanDerWaalsContact CD2-CD1 3.44Å; L549-I557 HydrophobicContact CD2-CG1 4.12Å; L549-I557 HydrophobicContact CG-CD1 4.31Å; L550-I557 HydrophobicContact CD2-CD1 3.72Å; R555-I557 PolarHBondContact O-N 3.03Å; I557-K562 HydrophobicContact CB-CG 4.02Å; I557-K562 HydrophobicContact CG2-CG 3.75Å; I557-K562 WeakPolarHBondContact O-CE 3.36Å; I557-L657 HydrophobicContact CD1-CD1 4.33Å | ||
| 558 | D | 87.4 | Confident | 91 | Very high | 84 Ų | 84 | 59.2 Ų | 59.2 | 45% | 0.449 | 29% | 0.286 | S | S | . | . | trans | -71.9 | 162 | 175.7 | 71.5 | -60 | 0 | 0 | 0 | 111.3 | Q560 S561 K562 | D558-Q560 VanDerWaalsContact C-N 3.26Å; D558-Q560 PolarHBondContact O-N 3.13Å; D558-Q560 VanDerWaalsContact OD2-CB 3.25Å; D558-Q560 WeakPolarHBondContact OD2-CB 3.5Å; D558-Q560 PolarHBondContact OD2-N 2.99Å; D558-S561 PolarHBondContact O-N 3.12Å; D558-S561 WeakPolarHBondContact OD1-CB 3.44Å; D558-S561 PolarHBondContact OD1-OG 3.31Å; D558-S561 PolarHBondContact OD2-N 3.46Å; D558-K562 WeakPolarHBondContact O-CG 3.35Å; D558-K562 PolarHBondContact O-N 3.04Å | ||
| 559 | L | 86.9 | Confident | 91.3 | Very high | 54 Ų | 54 | 58.2 Ų | 58.2 | 28% | 0.283 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63 | -32.7 | -173.8 | -176.9 | 61.5 | 0 | 0 | 0 | 112.5 | K562 L563 L658 P690 I725 | L559-K562 PolarHBondContact O-N 2.94Å; L559-L563 HydrophobicContact CD1-CG 4.47Å; L559-L563 HydrophobicContact CG-CD1 4.4Å; L559-L563 WeakPolarHBondContact O-CG 3.26Å; L559-L563 PolarHBondContact O-N 3.3Å; L559-L658 HydrophobicContact CD1-CD2 4.06Å; L559-P690 HydrophobicContact CD2-CG 4.12Å; L559-I725 HydrophobicContact CB-CD1 4.31Å; L559-I725 HydrophobicContact CD2-CD1 4.48Å; L559-I725 HydrophobicContact CD2-CG1 4.29Å; L559-I725 HydrophobicContact CG-CD1 4.19Å |
| 560 | Q | 90.3 | Very high | 91.6 | Very high | 101 Ų | 101 | 57.3 Ų | 57.3 | 47% | 0.472 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.5 | -50.6 | -179.9 | -166.5 | -180 | -24.5 | 0 | 0 | 110.5 | D558 K562 L563 I564 L722 I725 | D558-Q560 VanDerWaalsContact C-N 3.26Å; D558-Q560 PolarHBondContact O-N 3.13Å; D558-Q560 VanDerWaalsContact OD2-CB 3.25Å; D558-Q560 WeakPolarHBondContact OD2-CB 3.5Å; D558-Q560 PolarHBondContact OD2-N 2.99Å; Q560-K562 VanDerWaalsContact C-N 3.31Å; Q560-K562 PolarHBondContact O-N 3.46Å; Q560-L563 PolarHBondContact O-N 3.03Å; Q560-L563 VanDerWaalsContact O-N 3.13Å; Q560-I564 HydrophobicContact CG-CD1 4.4Å; Q560-I564 WeakPolarHBondContact O-CG1 3.35Å; Q560-I564 PolarHBondContact O-N 2.89Å; Q560-L722 HydrophobicContact CG-CD1 3.7Å; Q560-I725 VanDerWaalsContact CA-CD1 3.43Å; Q560-I725 HydrophobicContact CB-CD1 3.61Å; Q560-I725 HydrophobicContact CG-CD1 4.07Å |
| 561 | S | 91.7 | Very high | 91.9 | Very high | 39 Ų | 39 | 59.8 Ų | 59.8 | 27% | 0.273 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.9 | -37.5 | 177.1 | -55.1 | 0 | 0 | 0 | 0 | 112 | D558 L563 I564 I565 | D558-S561 PolarHBondContact O-N 3.12Å; D558-S561 WeakPolarHBondContact OD1-CB 3.44Å; D558-S561 PolarHBondContact OD1-OG 3.31Å; D558-S561 PolarHBondContact OD2-N 3.46Å; S561-L563 VanDerWaalsContact C-N 3.33Å; S561-L563 PolarHBondContact O-N 3.14Å; S561-I564 PolarHBondContact O-N 3.35Å; S561-I565 WeakPolarHBondContact O-CG1 3.3Å; S561-I565 PolarHBondContact O-N 3.32Å |
| 562 | K | 94.1 | Very high | 92.2 | Very high | 36 Ų | 36 | 58.2 Ų | 58.2 | 16% | 0.157 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.5 | -42.4 | 172.7 | -72.7 | 176.8 | 174.1 | -177.2 | 0 | 112.1 | I557 D558 L559 Q560 A566 L657 L658 | I557-K562 HydrophobicContact CB-CG 4.02Å; I557-K562 HydrophobicContact CG2-CG 3.75Å; I557-K562 WeakPolarHBondContact O-CE 3.36Å; D558-K562 WeakPolarHBondContact O-CG 3.35Å; D558-K562 PolarHBondContact O-N 3.04Å; L559-K562 PolarHBondContact O-N 2.94Å; Q560-K562 VanDerWaalsContact C-N 3.31Å; Q560-K562 PolarHBondContact O-N 3.46Å; K562-A566 WeakPolarHBondContact O-CB 3.36Å; K562-A566 PolarHBondContact O-N 3.25Å; K562-L657 HydrophobicContact CB-CD1 4.42Å; K562-L657 HydrophobicContact CB-CD2 4.37Å; K562-L657 HydrophobicContact CB-CG 4.12Å; K562-L657 WeakPolarHBondContact CD-O 3.22Å; K562-L657 WeakPolarHBondContact CE-O 3.5Å; K562-L657 HydrophobicContact CG-CD1 4Å; K562-L657 HydrophobicContact CG-CG 4.07Å; K562-L657 PolarHBondContact NZ-O 3.2Å; K562-L657 WeakPolarHBondContact O-CD2 3.47Å; K562-L658 HydrophobicContact CD-CD2 4.48Å; K562-L658 PolarHBondContact NZ-O 3.23Å |
| 563 | L | 94.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.8 | -39.6 | 177.7 | -74.4 | 176.6 | 0 | 0 | 0 | 112.1 | L559 Q560 S561 A566 I567 I693 L718 C721 L722 I725 | L559-L563 HydrophobicContact CD1-CG 4.47Å; L559-L563 HydrophobicContact CG-CD1 4.4Å; L559-L563 WeakPolarHBondContact O-CG 3.26Å; L559-L563 PolarHBondContact O-N 3.3Å; Q560-L563 PolarHBondContact O-N 3.03Å; Q560-L563 VanDerWaalsContact O-N 3.13Å; S561-L563 VanDerWaalsContact C-N 3.33Å; S561-L563 PolarHBondContact O-N 3.14Å; L563-A566 PolarHBondContact O-N 2.96Å; L563-I567 WeakPolarHBondContact O-CB 3.26Å; L563-I567 WeakPolarHBondContact O-CD1 3.25Å; L563-I567 WeakPolarHBondContact O-CG1 3.42Å; L563-I567 PolarHBondContact O-N 2.88Å; L563-I693 HydrophobicContact CD2-CD1 3.76Å; L563-L718 HydrophobicContact CD2-CD2 4.01Å; L563-C721 HydrophobicContact CD1-CB 4.35Å; L563-L722 HydrophobicContact CB-CB 4.45Å; L563-L722 HydrophobicContact CB-CD1 3.97Å; L563-L722 HydrophobicContact CD1-CB 4.24Å; L563-L722 HydrophobicContact CD1-CD1 4.23Å; L563-I725 HydrophobicContact CD1-CD1 4.15Å |
| 564 | I | 94.8 | Very high | 93.1 | Very high | 44 Ų | 44 | 49.7 Ų | 49.7 | 23% | 0.226 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.2 | -50 | 175.5 | -67.5 | 166.2 | 0 | 0 | 0 | 110.6 | Q560 S561 A566 I567 D568 L722 | Q560-I564 HydrophobicContact CG-CD1 4.4Å; Q560-I564 WeakPolarHBondContact O-CG1 3.35Å; Q560-I564 PolarHBondContact O-N 2.89Å; S561-I564 PolarHBondContact O-N 3.35Å; I564-A566 VanDerWaalsContact C-N 3.32Å; I564-A566 PolarHBondContact O-N 2.98Å; I564-I567 PolarHBondContact O-N 3.38Å; I564-D568 PolarHBondContact O-N 3.01Å; I564-L722 HydrophobicContact CG1-CD1 4.47Å; I564-L722 HydrophobicContact CG1-CD2 4.2Å |
| 565 | I | 97.1 | Very high | 93.7 | Very high | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.7 | -45.6 | 176.5 | -67.5 | 167.2 | 0 | 0 | 0 | 110.8 | S561 I567 D568 V569 L595 G599 A601 L657 | S561-I565 WeakPolarHBondContact O-CG1 3.3Å; S561-I565 PolarHBondContact O-N 3.32Å; I565-I567 PolarHBondContact O-N 3.12Å; I565-D568 PolarHBondContact O-N 2.91Å; I565-V569 WeakPolarHBondContact O-CG2 3.44Å; I565-V569 PolarHBondContact O-N 2.92Å; I565-V569 VanDerWaalsContact O-N 3.11Å; I565-L595 HydrophobicContact CD1-CD1 4.27Å; I565-L595 HydrophobicContact CD1-CD2 3.93Å; I565-L595 HydrophobicContact CG1-CD2 3.89Å; I565-L595 HydrophobicContact CG2-CD2 4.1Å; I565-G599 VanDerWaalsContact CG1-O 3.32Å; I565-G599 WeakPolarHBondContact CG1-O 3.33Å; I565-A601 HydrophobicContact CB-CB 4.39Å; I565-A601 HydrophobicContact CG1-CB 4.49Å; I565-A601 HydrophobicContact CG2-CB 3.96Å; I565-L657 HydrophobicContact CB-CD2 4Å; I565-L657 HydrophobicContact CD1-CD1 4.35Å; I565-L657 HydrophobicContact CG2-CD1 4.37Å; I565-L657 HydrophobicContact CG2-CD2 3.73Å |
| 566 | A | 97.7 | Very high | 94.4 | Very high | 3 Ų | 3 | 36.7 Ų | 36.7 | 3% | 0.025 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.3 | -40.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | K562 L563 I564 A570 Y650 L654 L657 L718 | K562-A566 WeakPolarHBondContact O-CB 3.36Å; K562-A566 PolarHBondContact O-N 3.25Å; L563-A566 PolarHBondContact O-N 2.96Å; I564-A566 VanDerWaalsContact C-N 3.32Å; I564-A566 PolarHBondContact O-N 2.98Å; A566-A570 WeakPolarHBondContact O-CB 3.46Å; A566-A570 PolarHBondContact O-N 3.45Å; A566-A570 VanDerWaalsContact O-N 3.08Å; A566-Y650 PolarHBondContact O-OH 3.22Å; A566-L654 HydrophobicContact CB-CD1 3.65Å; A566-L657 HydrophobicContact CB-CD2 4.22Å; A566-L718 HydrophobicContact CB-CD1 4Å |
| 567 | I | 97.7 | Very high | 95 | Very high | 6 Ų | 6 | 28.8 Ų | 28.8 | 3% | 0.031 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.2 | -45.9 | 177.9 | -70.2 | 161.1 | 0 | 0 | 0 | 110.5 | L563 I564 I565 V569 A570 K571 L718 E719 L722 | L563-I567 WeakPolarHBondContact O-CB 3.26Å; L563-I567 WeakPolarHBondContact O-CD1 3.25Å; L563-I567 WeakPolarHBondContact O-CG1 3.42Å; L563-I567 PolarHBondContact O-N 2.88Å; I564-I567 PolarHBondContact O-N 3.38Å; I565-I567 PolarHBondContact O-N 3.12Å; I567-V569 PolarHBondContact O-N 3.11Å; I567-A570 PolarHBondContact O-N 3.3Å; I567-K571 HydrophobicContact CG2-CD 3.94Å; I567-K571 HydrophobicContact CG2-CG 4.33Å; I567-K571 WeakPolarHBondContact O-CG 3.44Å; I567-K571 PolarHBondContact O-N 3.36Å; I567-L718 HydrophobicContact CD1-CB 4.17Å; I567-L718 HydrophobicContact CG1-CB 3.55Å; I567-L718 HydrophobicContact CG1-CD1 4.38Å; I567-E719 HydrophobicContact CD1-CG 4.02Å; I567-E719 HydrophobicContact CG1-CG 4.38Å; I567-E719 HydrophobicContact CG2-CG 4.19Å; I567-L722 HydrophobicContact CD1-CB 4.12Å; I567-L722 HydrophobicContact CD1-CD2 3.73Å |
| 568 | D | 98.1 | Very high | 95.3 | Very high | 15 Ų | 15 | 32.9 Ų | 32.9 | 8% | 0.08 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.9 | -46.4 | 179.8 | -76.1 | -14 | 0 | 0 | 0 | 111.4 | C519 I564 I565 A570 K571 G572 H600 A601 | C519-D568 HydrophobicContact CB-CB 4.49Å; C519-D568 WeakPolarHBondContact CB-O 3.5Å; I564-D568 PolarHBondContact O-N 3.01Å; I565-D568 PolarHBondContact O-N 2.91Å; D568-A570 VanDerWaalsContact C-N 3.33Å; D568-A570 PolarHBondContact O-N 3.48Å; D568-K571 PolarHBondContact O-N 3.21Å; D568-G572 PolarHBondContact O-N 3.34Å; D568-H600 IonicContact OD1-ND1 2.8Å; D568-H600 WeakPolarHBondContact OD2-CA 3.35Å; D568-H600 WeakPolarHBondContact OD2-CB 3.46Å; D568-H600 IonicContact OD2-CE1 2.7Å; D568-H600 IonicContact OD2-CG 3.73Å; D568-H600 IonicContact OD2-ND1 3.94Å; D568-H600 PolarHBondContact OD2-ND1 3.47Å; D568-A601 HydrophobicContact CB-CB 3.98Å; D568-A601 PolarHBondContact OD2-N 3.33Å |
| 569 | V | 98.4 | Very high | 95.5 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.018 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.1 | -42.6 | 176.3 | 176.8 | 0 | 0 | 0 | 0 | 110.7 | I565 I567 G572 M573 L588 I593 A601 V603 Y650 | I565-V569 WeakPolarHBondContact O-CG2 3.44Å; I565-V569 PolarHBondContact O-N 2.92Å; I565-V569 VanDerWaalsContact O-N 3.11Å; I567-V569 PolarHBondContact O-N 3.11Å; V569-G572 PolarHBondContact O-N 3.11Å; V569-M573 WeakPolarHBondContact O-CG 3.47Å; V569-M573 PolarHBondContact O-N 3.12Å; V569-L588 HydrophobicContact CG1-CD1 4.34Å; V569-I593 HydrophobicContact CG1-CD1 4.17Å; V569-I593 HydrophobicContact CG1-CG1 4.45Å; V569-I593 HydrophobicContact CG2-CD1 4.01Å; V569-I593 HydrophobicContact CG2-CG1 4.05Å; V569-I593 HydrophobicContact CG2-CG2 3.69Å; V569-A601 HydrophobicContact CG2-CB 4.07Å; V569-V603 HydrophobicContact CB-CG2 4.48Å; V569-V603 HydrophobicContact CG1-CG2 4Å; V569-Y650 HydrophobicContact CB-CD2 4.43Å; V569-Y650 HydrophobicContact CB-CE2 4.02Å; V569-Y650 HydrophobicContact CG1-CD2 3.7Å; V569-Y650 HydrophobicContact CG1-CE2 3.8Å |
| 570 | A | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.2 | -42.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A566 I567 D568 G572 M573 E574 Y650 F711 V714 V715 | A566-A570 WeakPolarHBondContact O-CB 3.46Å; A566-A570 PolarHBondContact O-N 3.45Å; A566-A570 VanDerWaalsContact O-N 3.08Å; I567-A570 PolarHBondContact O-N 3.3Å; D568-A570 VanDerWaalsContact C-N 3.33Å; D568-A570 PolarHBondContact O-N 3.48Å; A570-G572 VanDerWaalsContact C-N 3.35Å; A570-G572 PolarHBondContact O-N 2.7Å; A570-M573 PolarHBondContact O-N 3.19Å; A570-E574 WeakPolarHBondContact O-CB 3.21Å; A570-E574 PolarHBondContact O-N 2.96Å; A570-Y650 HydrophobicContact CB-CE2 3.93Å; A570-F711 HydrophobicContact CB-CD1 4.08Å; A570-V714 HydrophobicContact CB-CG1 4.04Å; A570-V715 HydrophobicContact CB-CG2 3.62Å |
| 571 | K | 98.3 | Very high | 95.5 | Very high | 65 Ų | 65 | 34.7 Ų | 34.7 | 28% | 0.283 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.8 | -40 | 174.7 | -74.6 | 177.3 | 175.4 | 171.1 | 0 | 112.1 | I567 D568 Y575 V715 E719 | I567-K571 HydrophobicContact CG2-CD 3.94Å; I567-K571 HydrophobicContact CG2-CG 4.33Å; I567-K571 WeakPolarHBondContact O-CG 3.44Å; I567-K571 PolarHBondContact O-N 3.36Å; D568-K571 PolarHBondContact O-N 3.21Å; K571-Y575 WeakPolarHBondContact O-CB 3.38Å; K571-Y575 PolarHBondContact O-N 2.84Å; K571-V715 HydrophobicContact CG-CG1 4.06Å; K571-V715 HydrophobicContact CG-CG2 3.86Å; K571-E719 WeakPolarHBondContact CE-OE1 3.3Å; K571-E719 IonicContact NZ-OE1 3.97Å; K571-E719 PolarHBondContact NZ-OE1 3.45Å |
| 572 | G | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.5 | -47.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | D568 V569 A570 Y575 L576 | D568-G572 PolarHBondContact O-N 3.34Å; V569-G572 PolarHBondContact O-N 3.11Å; A570-G572 VanDerWaalsContact C-N 3.35Å; A570-G572 PolarHBondContact O-N 2.7Å; G572-Y575 WeakPolarHBondContact O-CB 3.47Å; G572-Y575 PolarHBondContact O-N 3.3Å; G572-L576 WeakPolarHBondContact O-CG 3.37Å; G572-L576 PolarHBondContact O-N 3.21Å |
| 573 | M | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.1 | -40 | 179.2 | -65.1 | -54.4 | -64.2 | 0 | 0 | 112.9 | V569 A570 Y575 L576 H577 H585 L588 V603 D646 F711 | V569-M573 WeakPolarHBondContact O-CG 3.47Å; V569-M573 PolarHBondContact O-N 3.12Å; A570-M573 PolarHBondContact O-N 3.19Å; M573-Y575 VanDerWaalsContact C-N 3.31Å; M573-Y575 PolarHBondContact O-N 2.89Å; M573-L576 HydrophobicContact CE-CD1 4.5Å; M573-L576 PolarHBondContact O-N 3.07Å; M573-L576 HydrophobicContact SD-CD1 3.98Å; M573-H577 PolarHBondContact O-N 2.84Å; M573-H585 HydrophobicContact CE-CB 3.75Å; M573-H585 HydrophobicContact SD-CB 4.26Å; M573-L588 HydrophobicContact CE-CD2 4.21Å; M573-L588 HydrophobicContact CG-CD2 4Å; M573-L588 HydrophobicContact SD-CD1 4.26Å; M573-L588 HydrophobicContact SD-CD2 4.04Å; M573-V603 HydrophobicContact SD-CG1 4.29Å; M573-V603 HydrophobicContact SD-CG2 4.45Å; M573-D646 HydrophobicContact CE-CB 3.61Å; M573-D646 WeakPolarHBondContact CE-OD2 3.26Å; M573-F711 HydrophobicContact CB-CD1 3.73Å; M573-F711 HydrophobicContact CB-CD2 3.81Å; M573-F711 HydrophobicContact CB-CE1 3.51Å; M573-F711 HydrophobicContact CB-CE2 3.62Å; M573-F711 HydrophobicContact CB-CG 3.87Å; M573-F711 HydrophobicContact CB-CZ 3.45Å; M573-F711 VanDerWaalsContact CB-CZ 3.45Å; M573-F711 HydrophobicContact CE-CE2 4.45Å; M573-F711 HydrophobicContact CE-CZ 4.44Å; M573-F711 HydrophobicContact CG-CE1 3.94Å; M573-F711 HydrophobicContact CG-CE2 4.35Å; M573-F711 HydrophobicContact CG-CZ 3.8Å |
| 574 | E | 97.7 | Very high | 95.2 | Very high | 51 Ų | 51 | 32.9 Ų | 32.9 | 24% | 0.238 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -55.6 | -46.7 | 172 | -175.5 | -179.4 | -165.2 | 0 | 0 | 111.3 | A570 L576 H577 N578 F711 S712 | A570-E574 WeakPolarHBondContact O-CB 3.21Å; A570-E574 PolarHBondContact O-N 2.96Å; E574-L576 PolarHBondContact O-N 3.3Å; E574-H577 PolarHBondContact O-N 2.8Å; E574-N578 WeakPolarHBondContact CG-ND2 3.45Å; E574-N578 WeakPolarHBondContact O-CB 3.36Å; E574-N578 PolarHBondContact O-N 3.43Å; E574-N578 PolarHBondContact O-ND2 2.76Å; E574-F711 HydrophobicContact CB-CB 3.77Å; E574-F711 HydrophobicContact CG-CB 4.42Å; E574-S712 WeakPolarHBondContact OE1-CA 3.4Å; E574-S712 WeakPolarHBondContact OE1-CB 3.49Å |
| 575 | Y | 97.8 | Very high | 95.2 | Very high | 55 Ų | 55 | 30.8 Ų | 30.8 | 22% | 0.216 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56.9 | -48 | 176.6 | 168.5 | -98.4 | 0 | 0 | 0 | 111.6 | L515 N516 H517 I520 K571 G572 M573 H577 N578 L579 | L515-Y575 HydrophobicContact CB-CE1 4.45Å; L515-Y575 HydrophobicContact CD2-CE1 4.09Å; N516-Y575 PolarHBondContact N-OH 2.93Å; N516-Y575 VanDerWaalsContact N-OH 3.12Å; H517-Y575 HydrophobicContact CB-CD1 3.67Å; H517-Y575 HydrophobicContact CB-CD2 4.02Å; H517-Y575 HydrophobicContact CB-CE1 3.86Å; H517-Y575 HydrophobicContact CB-CE2 4.17Å; H517-Y575 HydrophobicContact CB-CG 3.77Å; H517-Y575 AromaticContact CD2-CD2 3.68Å; H517-Y575 AromaticContact CD2-CG 3.73Å; H517-Y575 AromaticContact CG-CG 3.75Å; I520-Y575 HydrophobicContact CG1-CD1 4.06Å; K571-Y575 WeakPolarHBondContact O-CB 3.38Å; K571-Y575 PolarHBondContact O-N 2.84Å; G572-Y575 WeakPolarHBondContact O-CB 3.47Å; G572-Y575 PolarHBondContact O-N 3.3Å; M573-Y575 VanDerWaalsContact C-N 3.31Å; M573-Y575 PolarHBondContact O-N 2.89Å; Y575-H577 PolarHBondContact O-N 3.07Å; Y575-N578 PolarHBondContact O-N 2.96Å; Y575-L579 HydrophobicContact CE1-CD1 4.48Å; Y575-L579 HydrophobicContact CE1-CD2 4.32Å; Y575-L579 HydrophobicContact CE2-CD2 4.06Å; Y575-L579 WeakPolarHBondContact O-CG 3.41Å; Y575-L579 PolarHBondContact O-N 2.72Å |
| 576 | L | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.1 | -40.7 | -179.4 | -66.6 | 176.4 | 0 | 0 | 0 | 112.9 | L515 I520 G572 M573 E574 I583 F606 | L515-L576 HydrophobicContact CD1-CD2 3.94Å; L515-L576 HydrophobicContact CD2-CD2 3.66Å; L515-L576 HydrophobicContact CG-CD2 4.44Å; I520-L576 HydrophobicContact CD1-CD1 4.05Å; I520-L576 HydrophobicContact CD1-CD2 4.2Å; I520-L576 HydrophobicContact CD1-CG 3.99Å; G572-L576 WeakPolarHBondContact O-CG 3.37Å; G572-L576 PolarHBondContact O-N 3.21Å; M573-L576 HydrophobicContact CE-CD1 4.5Å; M573-L576 PolarHBondContact O-N 3.07Å; M573-L576 HydrophobicContact SD-CD1 3.98Å; E574-L576 PolarHBondContact O-N 3.3Å; L576-I583 HydrophobicContact CB-CB 4.45Å; L576-I583 HydrophobicContact CD2-CB 4.47Å; L576-I583 PolarHBondContact O-N 3.28Å; L576-F606 HydrophobicContact CD1-CE1 3.82Å; L576-F606 HydrophobicContact CD1-CZ 4.32Å; L576-F606 HydrophobicContact CD2-CE1 4Å |
| 577 | H | 94.8 | Very high | 94.4 | Very high | 14 Ų | 14 | 32.1 Ų | 32.1 | 7% | 0.065 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -77.1 | -25.7 | -176 | -67.1 | -175.9 | 0 | 0 | 0 | 112.5 | M573 E574 Y575 P582 I583 V643 D646 F711 | M573-H577 PolarHBondContact O-N 2.84Å; E574-H577 PolarHBondContact O-N 2.8Å; Y575-H577 PolarHBondContact O-N 3.07Å; H577-P582 WeakPolarHBondContact O-CB 3.31Å; H577-I583 PolarHBondContact CD2-O 3.1Å; H577-V643 HydrophobicContact CB-CG1 4.16Å; H577-V643 PolarHBondContact CE1-O 2.89Å; H577-V643 WeakPolarHBondContact ND1-CB 3.36Å; H577-D646 IonicContact CE1-OD2 3.2Å; H577-D646 IonicContact NE2-OD2 2.83Å; H577-D646 PolarHBondContact NE2-OD2 3.39Å; H577-F711 AromaticContact CE1-CD2 3.81Å; H577-F711 AromaticContact CE1-CE2 3.53Å; H577-F711 AromaticContact ND1-CD2 3.52Å; H577-F711 AromaticContact ND1-CE2 3.75Å |
| 578 | N | 93.8 | Very high | 94.3 | Very high | 115 Ų | 115 | 31.9 Ų | 31.9 | 62% | 0.615 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93 | 3.3 | 179.3 | -72.9 | -24.5 | 0 | 0 | 0 | 114.6 | E574 Y575 | E574-N578 WeakPolarHBondContact CG-ND2 3.45Å; E574-N578 WeakPolarHBondContact O-CB 3.36Å; E574-N578 PolarHBondContact O-N 3.43Å; E574-N578 PolarHBondContact O-ND2 2.76Å; Y575-N578 PolarHBondContact O-N 2.96Å |
| 579 | L | 92.3 | Very high | 94.2 | Very high | 39 Ų | 39 | 31.2 Ų | 31.2 | 20% | 0.204 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -60.7 | 152 | 171.4 | -70.7 | 173.2 | 0 | 0 | 0 | 111 | L515 Y575 Q581 P582 I583 | L515-L579 HydrophobicContact CD2-CD1 3.93Å; Y575-L579 HydrophobicContact CE1-CD1 4.48Å; Y575-L579 HydrophobicContact CE1-CD2 4.32Å; Y575-L579 HydrophobicContact CE2-CD2 4.06Å; Y575-L579 WeakPolarHBondContact O-CG 3.41Å; Y575-L579 PolarHBondContact O-N 2.72Å; L579-Q581 WeakPolarHBondContact CB-O 3.37Å; L579-Q581 CarbonylContact O-C 3.46Å; L579-Q581 PolarHBondContact O-N 3.46Å; L579-P582 WeakPolarHBondContact O-CD 3.38Å; L579-I583 HydrophobicContact CD1-CD1 3.55Å; L579-I583 HydrophobicContact CD1-CG1 4.03Å |
| 580 | T | 87.5 | Confident | 94 | Very high | 158 Ų | 158 | 31.1 Ų | 31.1 | 97% | 0.969 | 16% | 0.162 | S | C | * | . | S | Bend | trans | -53.3 | -32.2 | 176.1 | 54.1 | 0 | 0 | 0 | 0 | 112.7 | ||
| 581 | Q | 88.6 | Confident | 93.8 | Very high | 79 Ų | 79 | 34.8 Ų | 34.8 | 37% | 0.369 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -117.9 | 100.9 | 164.5 | -173.8 | 174.1 | 31 | 0 | 0 | 107.1 | L579 F611 | L579-Q581 WeakPolarHBondContact CB-O 3.37Å; L579-Q581 CarbonylContact O-C 3.46Å; L579-Q581 PolarHBondContact O-N 3.46Å; Q581-F611 HydrophobicContact CB-CD1 4.47Å; Q581-F611 HydrophobicContact CG-CB 4Å; Q581-F611 HydrophobicContact CG-CD1 3.86Å; Q581-F611 HydrophobicContact CG-CG 4.27Å |
| 582 | P | 91.6 | Very high | 93.6 | Very high | 37 Ų | 37 | 32.4 Ų | 32.4 | 24% | 0.24 | 17% | 0.17 | C | C | . | . | trans | -56.5 | 143.5 | -176.7 | -28.5 | 36 | 0 | 0 | 0 | 112.3 | H577 L579 L612 | H577-P582 WeakPolarHBondContact O-CB 3.31Å; L579-P582 WeakPolarHBondContact O-CD 3.38Å; P582-L612 HydrophobicContact CB-CB 4.13Å; P582-L612 HydrophobicContact CB-CD2 4.25Å; P582-L612 PolarHBondContact O-N 2.92Å | ||
| 583 | I | 92.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 124.6 | 179 | -61.8 | 175 | 0 | 0 | 0 | 108.9 | I511 L515 L576 H577 L579 R610 F611 | I511-I583 HydrophobicContact CD1-CG2 4.47Å; I511-I583 HydrophobicContact CG2-CD1 4.07Å; I511-I583 HydrophobicContact CG2-CG2 4.28Å; L515-I583 HydrophobicContact CD2-CD1 3.82Å; L576-I583 HydrophobicContact CB-CB 4.45Å; L576-I583 HydrophobicContact CD2-CB 4.47Å; L576-I583 PolarHBondContact O-N 3.28Å; H577-I583 PolarHBondContact CD2-O 3.1Å; L579-I583 HydrophobicContact CD1-CD1 3.55Å; L579-I583 HydrophobicContact CD1-CG1 4.03Å; I583-R610 WeakPolarHBondContact CA-O 3.4Å; I583-F611 HydrophobicContact CD1-CD1 4.11Å; I583-F611 HydrophobicContact CD1-CE1 3.74Å; I583-F611 HydrophobicContact CG1-CD1 3.72Å; I583-F611 HydrophobicContact CG1-CE1 3.91Å |
| 584 | I | 91.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 131.6 | 172.3 | 48.5 | 170 | 0 | 0 | 0 | 109.5 | R586 S609 R610 L612 V643 D646 | I584-R586 HydrophobicContact CB-CG 4.22Å; I584-R586 HydrophobicContact CD1-CG 3.91Å; I584-R586 HydrophobicContact CG1-CG 3.99Å; I584-S609 VanDerWaalsContact O-CA 3.23Å; I584-S609 WeakPolarHBondContact O-CA 3.08Å; I584-S609 WeakPolarHBondContact O-CB 3.47Å; I584-R610 HydrophobicContact CD1-CB 4.27Å; I584-R610 HydrophobicContact CG1-CB 4.05Å; I584-R610 WeakPolarHBondContact CG1-O 3.43Å; I584-R610 PolarHBondContact N-O 2.96Å; I584-R610 PolarHBondContact O-N 2.92Å; I584-L612 HydrophobicContact CD1-CD1 4.39Å; I584-L612 HydrophobicContact CG2-CD1 4.31Å; I584-V643 HydrophobicContact CG2-CG1 3.99Å; I584-D646 WeakPolarHBondContact CA-OD2 3.49Å |
| 585 | H | 92.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -75.3 | -43.4 | -175 | -169.8 | -78.5 | 0 | 0 | 0 | 111.7 | M573 D587 L588 V603 A604 D605 F606 S609 D646 | M573-H585 HydrophobicContact CE-CB 3.75Å; M573-H585 HydrophobicContact SD-CB 4.26Å; H585-D587 PolarHBondContact CE1-O 3.45Å; H585-D587 VanDerWaalsContact ND1-C 3.26Å; H585-D587 PolarHBondContact ND1-N 3.25Å; H585-D587 PolarHBondContact O-N 2.89Å; H585-L588 PolarHBondContact ND1-N 3.2Å; H585-V603 WeakPolarHBondContact NE2-CG1 3.05Å; H585-A604 PolarHBondContact NE2-O 3.27Å; H585-A604 VanDerWaalsContact NE2-O 3.16Å; H585-D605 PolarHBondContact CE1-O 3.38Å; H585-D605 VanDerWaalsContact CE1-O 3.26Å; H585-D605 PolarHBondContact NE2-O 2.98Å; H585-F606 AromaticContact CD2-CE1 3.93Å; H585-S609 WeakPolarHBondContact O-CA 3.39Å; H585-S609 PolarHBondContact O-N 3.36Å; H585-S609 PolarHBondContact O-OG 3.27Å; H585-S609 VanDerWaalsContact O-OG 3.12Å; H585-D646 PolarHBondContact N-OD1 3.35Å; H585-D646 PolarHBondContact N-OD2 3.01Å | ||
| 586 | R | 89.7 | Confident | 93 | Very high | 7 Ų | 7 | 32.9 Ų | 32.9 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 68.8 | -15.8 | 175.7 | -55.7 | 179 | 53.5 | -121.4 | -7.9 | 116.8 | I584 E608 T621 Q623 Y641 D646 | I584-R586 HydrophobicContact CB-CG 4.22Å; I584-R586 HydrophobicContact CD1-CG 3.91Å; I584-R586 HydrophobicContact CG1-CG 3.99Å; R586-E608 HydrophobicContact CB-CB 4.34Å; R586-E608 VanDerWaalsContact CD-O 3.28Å; R586-E608 WeakPolarHBondContact CD-O 3.49Å; R586-E608 IonicContact CZ-OE2 2.89Å; R586-E608 PolarHBondContact NH1-O 2.82Å; R586-E608 IonicContact NH1-OE2 3.21Å; R586-E608 PolarHBondContact NH1-OE2 2.94Å; R586-E608 IonicContact NH2-OE2 3.79Å; R586-T621 PolarHBondContact NH2-OG1 2.79Å; R586-Q623 PolarHBondContact NH2-O 3.08Å; R586-Y641 HydrophobicContact CB-CD1 3.86Å; R586-Y641 HydrophobicContact CB-CE1 3.65Å; R586-Y641 HydrophobicContact CB-CG 4.45Å; R586-Y641 HydrophobicContact CG-CD1 3.56Å; R586-Y641 HydrophobicContact CG-CD2 4.31Å; R586-Y641 HydrophobicContact CG-CE1 3.9Å; R586-Y641 HydrophobicContact CG-CG 3.79Å; R586-Y641 VanDerWaalsContact NE-CD2 3.33Å; R586-D646 PolarHBondContact N-OD1 3.26Å |
| 587 | D | 90.3 | Very high | 92.5 | Very high | 28 Ų | 28 | 40.7 Ų | 40.7 | 15% | 0.15 | 21% | 0.209 | C | C | . | . | trans | -134.3 | 42.2 | 175.8 | -166.3 | 32 | 0 | 0 | 0 | 113.1 | H585 N589 N592 E608 N626 | H585-D587 PolarHBondContact CE1-O 3.45Å; H585-D587 VanDerWaalsContact ND1-C 3.26Å; H585-D587 PolarHBondContact ND1-N 3.25Å; H585-D587 PolarHBondContact O-N 2.89Å; D587-N589 PolarHBondContact O-N 2.71Å; D587-N589 PolarHBondContact O-ND2 2.45Å; D587-N589 PolarHBondContact OD1-ND2 3.08Å; D587-N592 PolarHBondContact O-ND2 3.41Å; D587-N592 PolarHBondContact OD2-ND2 3.07Å; D587-E608 HydrophobicContact CB-CB 4.05Å; D587-E608 HydrophobicContact CB-CG 4.34Å; D587-N626 WeakPolarHBondContact OD1-CB 3.32Å; D587-N626 PolarHBondContact OD1-N 2.94Å | ||
| 588 | L | 95 | Very high | 91.9 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | trans | -73.3 | 116.2 | 177.4 | -175.6 | 66.2 | 0 | 0 | 0 | 109.8 | V569 M573 H585 I593 V603 S649 Y650 | V569-L588 HydrophobicContact CG1-CD1 4.34Å; M573-L588 HydrophobicContact CE-CD2 4.21Å; M573-L588 HydrophobicContact CG-CD2 4Å; M573-L588 HydrophobicContact SD-CD1 4.26Å; M573-L588 HydrophobicContact SD-CD2 4.04Å; H585-L588 PolarHBondContact ND1-N 3.2Å; L588-I593 HydrophobicContact CD1-CG1 4.32Å; L588-V603 HydrophobicContact CD1-CG1 3.95Å; L588-V603 HydrophobicContact CD1-CG2 4.43Å; L588-S649 WeakPolarHBondContact O-CB 3.36Å; L588-Y650 HydrophobicContact CD2-CD2 4.46Å | ||
| 589 | N | 95.1 | Very high | 91.4 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.011 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -154.2 | 171.5 | 179.1 | 65.1 | 61.5 | 0 | 0 | 0 | 110.1 | D587 H591 N592 I593 W629 C653 | D587-N589 PolarHBondContact O-N 2.71Å; D587-N589 PolarHBondContact O-ND2 2.45Å; D587-N589 PolarHBondContact OD1-ND2 3.08Å; N589-H591 VanDerWaalsContact C-N 3.25Å; N589-H591 PolarHBondContact O-N 2.96Å; N589-H591 WeakPolarHBondContact OD1-CA 3.42Å; N589-H591 VanDerWaalsContact OD1-CB 3.23Å; N589-H591 WeakPolarHBondContact OD1-CB 3.11Å; N589-H591 PolarHBondContact OD1-N 2.93Å; N589-N592 PolarHBondContact ND2-ND2 2.84Å; N589-N592 PolarHBondContact O-N 3.14Å; N589-N592 PolarHBondContact OD1-N 3.24Å; N589-I593 PolarHBondContact O-N 3.23Å; N589-W629 HydrophobicContact CB-CB 4.35Å; N589-W629 HydrophobicContact CB-CD2 3.56Å; N589-W629 HydrophobicContact CB-CE3 3.55Å; N589-W629 HydrophobicContact CB-CG 3.91Å; N589-W629 HydrophobicContact CB-CH2 4.47Å; N589-W629 HydrophobicContact CB-CZ2 4.48Å; N589-W629 HydrophobicContact CB-CZ3 4.03Å; N589-C653 VanDerWaalsContact CA-SG 3.52Å |
| 590 | S | 95.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -16.5 | -177.2 | 56.2 | 0 | 0 | 0 | 0 | 115.1 | L546 F547 E656 | L546-S590 WeakPolarHBondContact CB-O 3.48Å; L546-S590 PolarHBondContact N-O 3.35Å; F547-S590 PolarHBondContact N-O 3.42Å; S590-E656 WeakPolarHBondContact CB-OE1 3.44Å; S590-E656 VanDerWaalsContact CB-OE2 3.32Å; S590-E656 WeakPolarHBondContact CB-OE2 3.33Å; S590-E656 PolarHBondContact OG-OE1 3.41Å; S590-E656 PolarHBondContact OG-OE2 3.2Å; S590-E656 VanDerWaalsContact OG-OE2 3.11Å |
| 591 | H | 92.9 | Very high | 91.9 | Very high | 78 Ų | 78 | 36 Ų | 36 | 36% | 0.361 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -29.2 | 170.7 | -59.5 | -86 | 0 | 0 | 0 | 112.3 | S545 F547 N589 | S545-H591 WeakPolarHBondContact CB-O 3.5Å; F547-H591 AromaticContact CD1-CE1 3.28Å; F547-H591 WeakPolarHBondContact CD1-CE1 3.37Å; F547-H591 AromaticContact CD1-ND1 3.65Å; F547-H591 AromaticContact CD2-CE1 3.39Å; F547-H591 WeakPolarHBondContact CD2-CE1 3.45Å; F547-H591 AromaticContact CD2-NE2 3.42Å; F547-H591 WeakPolarHBondContact CD2-NE2 3.46Å; F547-H591 AromaticContact CE1-CE1 3.55Å; F547-H591 AromaticContact CE2-CE1 3.65Å; F547-H591 AromaticContact CE2-NE2 3.62Å; F547-H591 AromaticContact CG-CE1 3.2Å; F547-H591 WeakPolarHBondContact CG-CE1 3.49Å; F547-H591 AromaticContact CG-ND1 3.47Å; F547-H591 WeakPolarHBondContact CG-ND1 3.47Å; F547-H591 AromaticContact CG-NE2 3.72Å; F547-H591 AromaticContact CZ-CE1 3.73Å; N589-H591 VanDerWaalsContact C-N 3.25Å; N589-H591 PolarHBondContact O-N 2.96Å; N589-H591 WeakPolarHBondContact OD1-CA 3.42Å; N589-H591 VanDerWaalsContact OD1-CB 3.23Å; N589-H591 WeakPolarHBondContact OD1-CB 3.11Å; N589-H591 PolarHBondContact OD1-N 2.93Å |
| 592 | N | 94.8 | Very high | 92.4 | Very high | 15 Ų | 15 | 32.2 Ų | 32.2 | 8% | 0.08 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -94.8 | 5.1 | -176.3 | -69 | -12.4 | 0 | 0 | 0 | 112.9 | D587 N589 A604 D605 | D587-N592 PolarHBondContact O-ND2 3.41Å; D587-N592 PolarHBondContact OD2-ND2 3.07Å; N589-N592 PolarHBondContact ND2-ND2 2.84Å; N589-N592 PolarHBondContact O-N 3.14Å; N589-N592 PolarHBondContact OD1-N 3.24Å; N592-A604 WeakPolarHBondContact CB-O 3.46Å; N592-A604 PolarHBondContact O-N 2.84Å; N592-D605 HydrophobicContact CB-CB 4.47Å |
| 593 | I | 97.2 | Very high | 92.6 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 116.4 | 170.2 | -63.4 | 163.2 | 0 | 0 | 0 | 107.3 | S545 L546 V569 L588 N589 A601 C653 | S545-I593 CarbonylContact C-O 3.56Å; S545-I593 WeakPolarHBondContact CA-O 3.49Å; L546-I593 HydrophobicContact CB-CB 4.06Å; L546-I593 HydrophobicContact CB-CG2 4.07Å; L546-I593 HydrophobicContact CD2-CB 4.45Å; L546-I593 HydrophobicContact CD2-CD1 4.15Å; L546-I593 HydrophobicContact CD2-CG2 4.28Å; L546-I593 PolarHBondContact N-O 2.93Å; V569-I593 HydrophobicContact CG1-CD1 4.17Å; V569-I593 HydrophobicContact CG1-CG1 4.45Å; V569-I593 HydrophobicContact CG2-CD1 4.01Å; V569-I593 HydrophobicContact CG2-CG1 4.05Å; V569-I593 HydrophobicContact CG2-CG2 3.69Å; L588-I593 HydrophobicContact CD1-CG1 4.32Å; N589-I593 PolarHBondContact O-N 3.23Å; I593-A601 HydrophobicContact CG2-CB 4.12Å; I593-C653 HydrophobicContact CD1-CB 4.14Å |
| 594 | L | 96.2 | Very high | 92.7 | Very high | 40 Ų | 40 | 30.8 Ų | 30.8 | 21% | 0.209 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 146.9 | 179.9 | -54.6 | -177.5 | 0 | 0 | 0 | 110.9 | I521 V541 G544 A601 V602 A604 | I521-L594 HydrophobicContact CD1-CD1 4.13Å; V541-L594 HydrophobicContact CB-CB 4Å; V541-L594 HydrophobicContact CB-CD1 4.16Å; V541-L594 HydrophobicContact CG1-CB 3.76Å; V541-L594 HydrophobicContact CG2-CB 4.31Å; V541-L594 HydrophobicContact CG2-CD1 4.24Å; G544-L594 CarbonylContact O-C 3.58Å; G544-L594 WeakPolarHBondContact O-CA 3.32Å; L594-A601 CarbonylContact O-C 3.54Å; L594-A601 WeakPolarHBondContact O-CA 3.46Å; L594-V602 HydrophobicContact CB-CG2 3.91Å; L594-V602 PolarHBondContact N-O 3.49Å; L594-V602 PolarHBondContact O-N 2.9Å; L594-A604 HydrophobicContact CD1-CB 3.76Å; L594-A604 HydrophobicContact CG-CB 3.87Å |
| 595 | L | 94.9 | Very high | 92.7 | Very high | 5 Ų | 5 | 33.4 Ų | 33.4 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 134.3 | -174.8 | -59.7 | 176.9 | 0 | 0 | 0 | 111.6 | V541 G543 G544 L546 L549 I565 H600 A601 | V541-L595 WeakPolarHBondContact CG1-O 3.41Å; G543-L595 CarbonylContact C-O 3.57Å; G543-L595 WeakPolarHBondContact CA-O 3.34Å; G543-L595 PolarHBondContact N-O 2.96Å; G544-L595 PolarHBondContact O-N 3.37Å; L546-L595 HydrophobicContact CB-CD1 4.43Å; L546-L595 HydrophobicContact CD1-CD1 4Å; L549-L595 HydrophobicContact CB-CD1 4.24Å; L549-L595 HydrophobicContact CD2-CD1 3.36Å; L549-L595 HydrophobicContact CG-CD1 4.35Å; I565-L595 HydrophobicContact CD1-CD1 4.27Å; I565-L595 HydrophobicContact CD1-CD2 3.93Å; I565-L595 HydrophobicContact CG1-CD2 3.89Å; I565-L595 HydrophobicContact CG2-CD2 4.1Å; L595-H600 WeakPolarHBondContact CA-O 3.3Å; L595-A601 HydrophobicContact CD2-CB 3.62Å |
| 596 | Y | 90.2 | Very high | 92.6 | Very high | 69 Ų | 69 | 33.5 Ų | 33.5 | 27% | 0.271 | 17% | 0.171 | S | C | . | . | trans | -78.2 | 164.8 | 166.2 | -68.2 | -71.8 | 0 | 0 | 0 | 111.1 | Q539 V541 D598 G599 H600 V602 | Q539-Y596 PolarHBondContact NE2-OH 3.47Å; V541-Y596 HydrophobicContact CG1-CD1 3.99Å; V541-Y596 HydrophobicContact CG1-CE1 4.21Å; V541-Y596 HydrophobicContact CG1-CG 4.29Å; V541-Y596 HydrophobicContact CG2-CE1 4.03Å; Y596-D598 WeakPolarHBondContact CB-OD1 3.28Å; Y596-D598 PolarHBondContact O-N 2.96Å; Y596-G599 PolarHBondContact O-N 3.12Å; Y596-G599 VanDerWaalsContact O-N 3.12Å; Y596-H600 HydrophobicContact CD2-CB 4.15Å; Y596-H600 PolarHBondContact N-O 3.46Å; Y596-V602 HydrophobicContact CD2-CG1 4.34Å; Y596-V602 HydrophobicContact CE2-CG1 3.49Å; Y596-V602 VanDerWaalsContact CE2-CG1 3.49Å | ||
| 597 | E | 85.6 | Confident | 92.4 | Very high | 163 Ų | 163 | 33.2 Ų | 33.2 | 76% | 0.762 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -22.7 | 177.4 | -76.5 | 170.1 | -148.2 | 0 | 0 | 113.5 | S542 G599 | S542-E597 VanDerWaalsContact CB-OE1 3.31Å; S542-E597 WeakPolarHBondContact CB-OE1 3.46Å; S542-E597 WeakPolarHBondContact OG-CG 3.45Å; S542-E597 PolarHBondContact OG-OE1 3.4Å; E597-G599 VanDerWaalsContact C-N 3.28Å |
| 598 | D | 83.3 | Confident | 92.1 | Very high | 117 Ų | 117 | 32.4 Ų | 32.4 | 63% | 0.626 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -1.5 | 176.3 | 62.4 | 6.4 | 0 | 0 | 0 | 113.6 | Y596 H600 | Y596-D598 WeakPolarHBondContact CB-OD1 3.28Å; Y596-D598 PolarHBondContact O-N 2.96Å; D598-H600 IonicContact OD1-CD2 3.67Å; D598-H600 IonicContact OD1-CG 3.52Å; D598-H600 PolarHBondContact OD1-N 3Å; D598-H600 VanDerWaalsContact OD1-N 3.11Å; D598-H600 IonicContact OD2-CD2 3.67Å |
| 599 | G | 83.4 | Confident | 91.8 | Very high | 27 Ų | 27 | 32.4 Ų | 32.4 | 28% | 0.278 | 17% | 0.165 | S | C | . | . | S | Bend | trans | 91.2 | -1.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | I565 Y596 E597 | I565-G599 VanDerWaalsContact CG1-O 3.32Å; I565-G599 WeakPolarHBondContact CG1-O 3.33Å; Y596-G599 PolarHBondContact O-N 3.12Å; Y596-G599 VanDerWaalsContact O-N 3.12Å; E597-G599 VanDerWaalsContact C-N 3.28Å |
| 600 | H | 93.4 | Very high | 91.4 | Very high | 82 Ų | 82 | 33.8 Ų | 33.8 | 38% | 0.38 | 17% | 0.17 | S | C | . | . | trans | -75.4 | 149.3 | 174.1 | -77.6 | -69 | 0 | 0 | 0 | 112.4 | D568 L595 Y596 D598 | D568-H600 IonicContact OD1-ND1 2.8Å; D568-H600 WeakPolarHBondContact OD2-CA 3.35Å; D568-H600 WeakPolarHBondContact OD2-CB 3.46Å; D568-H600 IonicContact OD2-CE1 2.7Å; D568-H600 IonicContact OD2-CG 3.73Å; D568-H600 IonicContact OD2-ND1 3.94Å; D568-H600 PolarHBondContact OD2-ND1 3.47Å; L595-H600 WeakPolarHBondContact CA-O 3.3Å; Y596-H600 HydrophobicContact CD2-CB 4.15Å; Y596-H600 PolarHBondContact N-O 3.46Å; D598-H600 IonicContact OD1-CD2 3.67Å; D598-H600 IonicContact OD1-CG 3.52Å; D598-H600 PolarHBondContact OD1-N 3Å; D598-H600 VanDerWaalsContact OD1-N 3.11Å; D598-H600 IonicContact OD2-CD2 3.67Å | ||
| 601 | A | 96.8 | Very high | 91 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 2% | 0.017 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 148.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | I565 D568 V569 I593 L594 L595 | I565-A601 HydrophobicContact CB-CB 4.39Å; I565-A601 HydrophobicContact CG1-CB 4.49Å; I565-A601 HydrophobicContact CG2-CB 3.96Å; D568-A601 HydrophobicContact CB-CB 3.98Å; D568-A601 PolarHBondContact OD2-N 3.33Å; V569-A601 HydrophobicContact CG2-CB 4.07Å; I593-A601 HydrophobicContact CG2-CB 4.12Å; L594-A601 CarbonylContact O-C 3.54Å; L594-A601 WeakPolarHBondContact O-CA 3.46Å; L595-A601 HydrophobicContact CD2-CB 3.62Å |
| 602 | V | 97.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 142.8 | 170.3 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | P518 C519 I521 V541 L594 Y596 | P518-V602 WeakPolarHBondContact O-CG1 3.49Å; C519-V602 WeakPolarHBondContact O-CA 3.46Å; I521-V602 HydrophobicContact CD1-CG2 4.02Å; V541-V602 HydrophobicContact CG2-CG2 3.94Å; L594-V602 HydrophobicContact CB-CG2 3.91Å; L594-V602 PolarHBondContact N-O 3.49Å; L594-V602 PolarHBondContact O-N 2.9Å; Y596-V602 HydrophobicContact CD2-CG1 4.34Å; Y596-V602 HydrophobicContact CE2-CG1 3.49Å; Y596-V602 VanDerWaalsContact CE2-CG1 3.49Å |
| 603 | V | 97.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 132.1 | 171.3 | -176.3 | 0 | 0 | 0 | 0 | 109.3 | C519 I520 I521 V569 M573 H585 L588 | C519-V603 PolarHBondContact O-N 3.29Å; I520-V603 HydrophobicContact CD1-CB 4.06Å; I521-V603 PolarHBondContact N-O 2.9Å; V569-V603 HydrophobicContact CB-CG2 4.48Å; V569-V603 HydrophobicContact CG1-CG2 4Å; M573-V603 HydrophobicContact SD-CG1 4.29Å; M573-V603 HydrophobicContact SD-CG2 4.45Å; H585-V603 WeakPolarHBondContact NE2-CG1 3.05Å; L588-V603 HydrophobicContact CD1-CG1 3.95Å; L588-V603 HydrophobicContact CD1-CG2 4.43Å |
| 604 | A | 94.3 | Very high | 87 | Confident | 8 Ų | 8 | 44.6 Ų | 44.6 | 7% | 0.066 | 24% | 0.236 | C | C | . | . | trans | -134.1 | 172.9 | -175 | 0 | 0 | 0 | 0 | 0 | 112.1 | I521 H585 N592 L594 | I521-A604 HydrophobicContact CB-CB 4.05Å; I521-A604 HydrophobicContact CG1-CB 4.4Å; I521-A604 HydrophobicContact CG2-CB 4.23Å; H585-A604 PolarHBondContact NE2-O 3.27Å; H585-A604 VanDerWaalsContact NE2-O 3.16Å; N592-A604 WeakPolarHBondContact CB-O 3.46Å; N592-A604 PolarHBondContact O-N 2.84Å; L594-A604 HydrophobicContact CD1-CB 3.76Å; L594-A604 HydrophobicContact CG-CB 3.87Å | ||
| 605 | D | 89.9 | Confident | 84.8 | Confident | 56 Ų | 56 | 46.3 Ų | 46.3 | 30% | 0.299 | 25% | 0.248 | S | C | . | . | trans | 61.2 | 91.2 | -177.9 | -157 | -4.6 | 0 | 0 | 0 | 115.5 | K489 H585 N592 G607 | K489-D605 IonicContact NZ-OD1 3.88Å; K489-D605 PolarHBondContact NZ-OD1 2.95Å; H585-D605 PolarHBondContact CE1-O 3.38Å; H585-D605 VanDerWaalsContact CE1-O 3.26Å; H585-D605 PolarHBondContact NE2-O 2.98Å; N592-D605 HydrophobicContact CB-CB 4.47Å; D605-G607 PolarHBondContact OD1-N 3.22Å | ||
| 606 | F | 91.3 | Very high | 82.7 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 0% | 0.004 | 27% | 0.271 | C | S | . | . | trans | -101.1 | 15.7 | -176.4 | -70.2 | -98.4 | 0 | 0 | 0 | 112.8 | E508 I511 L512 L515 I520 I521 L576 H585 E608 S609 | E508-F606 HydrophobicContact CG-CB 4.07Å; E508-F606 PolarHBondContact OE1-N 3.43Å; I511-F606 HydrophobicContact CG2-CB 4.3Å; I511-F606 HydrophobicContact CG2-CD1 3.85Å; I511-F606 HydrophobicContact CG2-CG 4.34Å; L512-F606 HydrophobicContact CD2-CB 4.22Å; L512-F606 HydrophobicContact CD2-CD2 3.52Å; L512-F606 HydrophobicContact CD2-CE2 4.13Å; L512-F606 HydrophobicContact CD2-CG 3.95Å; L512-F606 HydrophobicContact CG-CB 4.29Å; L512-F606 HydrophobicContact CG-CD2 4.47Å; L515-F606 HydrophobicContact CD1-CD1 3.94Å; L515-F606 HydrophobicContact CD1-CE1 3.52Å; L515-F606 HydrophobicContact CD1-CE2 4.29Å; L515-F606 HydrophobicContact CD1-CG 4.48Å; L515-F606 HydrophobicContact CD1-CZ 3.73Å; I520-F606 HydrophobicContact CD1-CZ 4.15Å; I520-F606 HydrophobicContact CG2-CE2 4.15Å; I520-F606 HydrophobicContact CG2-CZ 3.79Å; I521-F606 HydrophobicContact CG2-CD2 4.15Å; I521-F606 HydrophobicContact CG2-CE2 3.78Å; L576-F606 HydrophobicContact CD1-CE1 3.82Å; L576-F606 HydrophobicContact CD1-CZ 4.32Å; L576-F606 HydrophobicContact CD2-CE1 4Å; H585-F606 AromaticContact CD2-CE1 3.93Å; F606-E608 VanDerWaalsContact C-N 3.26Å; F606-E608 PolarHBondContact O-N 3Å; F606-S609 WeakPolarHBondContact CA-OG 3.46Å; F606-S609 WeakPolarHBondContact CD1-OG 3.17Å; F606-S609 WeakPolarHBondContact O-CB 3.49Å; F606-S609 PolarHBondContact O-N 3.25Å | ||
| 607 | G | 85.4 | Confident | 80.5 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -36.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E508 D605 R610 | E508-G607 PolarHBondContact OE1-N 3.26Å; D605-G607 PolarHBondContact OD1-N 3.22Å; G607-R610 PolarHBondContact O-NH1 2.94Å |
| 608 | E | 84.3 | Confident | 78.6 | Confident | 12 Ų | 12 | 52.1 Ų | 52.1 | 6% | 0.056 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -8.4 | 175.9 | -72.1 | -55 | 144.9 | 0 | 0 | 113.9 | F473 R586 D587 F606 R610 | F473-E608 VanDerWaalsContact CZ-OE1 3.23Å; F473-E608 WeakPolarHBondContact CZ-OE1 3.48Å; R586-E608 HydrophobicContact CB-CB 4.34Å; R586-E608 VanDerWaalsContact CD-O 3.28Å; R586-E608 WeakPolarHBondContact CD-O 3.49Å; R586-E608 IonicContact CZ-OE2 2.89Å; R586-E608 PolarHBondContact NH1-O 2.82Å; R586-E608 IonicContact NH1-OE2 3.21Å; R586-E608 PolarHBondContact NH1-OE2 2.94Å; R586-E608 IonicContact NH2-OE2 3.79Å; D587-E608 HydrophobicContact CB-CB 4.05Å; D587-E608 HydrophobicContact CB-CG 4.34Å; F606-E608 VanDerWaalsContact C-N 3.26Å; F606-E608 PolarHBondContact O-N 3Å; E608-R610 VanDerWaalsContact C-NH1 3.34Å; E608-R610 PolarHBondContact O-NH1 3.36Å; E608-R610 IonicContact OE2-NH2 3.94Å |
| 609 | S | 88.6 | Confident | 77.1 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -68.1 | 151.5 | -174.6 | -53.9 | 0 | 0 | 0 | 0 | 112.8 | I511 I584 H585 F606 | I511-S609 WeakPolarHBondContact CD1-O 3.46Å; I584-S609 VanDerWaalsContact O-CA 3.23Å; I584-S609 WeakPolarHBondContact O-CA 3.08Å; I584-S609 WeakPolarHBondContact O-CB 3.47Å; H585-S609 WeakPolarHBondContact O-CA 3.39Å; H585-S609 PolarHBondContact O-N 3.36Å; H585-S609 PolarHBondContact O-OG 3.27Å; H585-S609 VanDerWaalsContact O-OG 3.12Å; F606-S609 WeakPolarHBondContact CA-OG 3.46Å; F606-S609 WeakPolarHBondContact CD1-OG 3.17Å; F606-S609 WeakPolarHBondContact O-CB 3.49Å; F606-S609 PolarHBondContact O-N 3.25Å | ||
| 610 | R | 86.6 | Confident | 75.5 | Confident | 32 Ų | 32 | 49.5 Ų | 49.5 | 12% | 0.121 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 149.7 | -179 | -60.2 | -64.4 | 177.8 | -93.7 | -2.1 | 110.9 | I583 I584 G607 E608 | I583-R610 WeakPolarHBondContact CA-O 3.4Å; I584-R610 HydrophobicContact CD1-CB 4.27Å; I584-R610 HydrophobicContact CG1-CB 4.05Å; I584-R610 WeakPolarHBondContact CG1-O 3.43Å; I584-R610 PolarHBondContact N-O 2.96Å; I584-R610 PolarHBondContact O-N 2.92Å; G607-R610 PolarHBondContact O-NH1 2.94Å; E608-R610 VanDerWaalsContact C-NH1 3.34Å; E608-R610 PolarHBondContact O-NH1 3.36Å; E608-R610 IonicContact OE2-NH2 3.94Å |
| 611 | F | 87.3 | Confident | 73.5 | Confident | 32 Ų | 32 | 47.2 Ų | 47.2 | 14% | 0.14 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 130.9 | 163.2 | -61.4 | -73.7 | 0 | 0 | 0 | 108.8 | I511 R514 Q581 I583 Q613 | I511-F611 HydrophobicContact CB-CZ 4.43Å; I511-F611 HydrophobicContact CD1-CE2 4.47Å; I511-F611 HydrophobicContact CG1-CD2 4.34Å; I511-F611 HydrophobicContact CG1-CE1 4.11Å; I511-F611 HydrophobicContact CG1-CE2 3.67Å; I511-F611 HydrophobicContact CG1-CZ 3.53Å; R514-F611 VanDerWaalsContact NH1-CE1 3.34Å; Q581-F611 HydrophobicContact CB-CD1 4.47Å; Q581-F611 HydrophobicContact CG-CB 4Å; Q581-F611 HydrophobicContact CG-CD1 3.86Å; Q581-F611 HydrophobicContact CG-CG 4.27Å; I583-F611 HydrophobicContact CD1-CD1 4.11Å; I583-F611 HydrophobicContact CD1-CE1 3.74Å; I583-F611 HydrophobicContact CG1-CD1 3.72Å; I583-F611 HydrophobicContact CG1-CE1 3.91Å; F611-Q613 PolarHBondContact O-N 2.95Å |
| 612 | L | 80.9 | Confident | 71 | Confident | 55 Ų | 55 | 57.4 Ų | 57.4 | 29% | 0.288 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 119.3 | 175.6 | -166.6 | 68.9 | 0 | 0 | 0 | 109.2 | P582 I584 | P582-L612 HydrophobicContact CB-CB 4.13Å; P582-L612 HydrophobicContact CB-CD2 4.25Å; P582-L612 PolarHBondContact O-N 2.92Å; I584-L612 HydrophobicContact CD1-CD1 4.39Å; I584-L612 HydrophobicContact CG2-CD1 4.31Å |
| 613 | Q | 70.4 | Confident | 68.9 | Low | 105 Ų | 105 | 61.6 Ų | 61.6 | 49% | 0.491 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -100.7 | 157 | 178.8 | -61.8 | -172 | 15.8 | 0 | 0 | 111.6 | F611 V615 | F611-Q613 PolarHBondContact O-N 2.95Å; Q613-V615 PolarHBondContact O-N 3.13Å |
| 614 | S | 49.3 | Very low | 67.1 | Low | 130 Ų | 130 | 64.7 Ų | 64.7 | 91% | 0.909 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -72.4 | -8.9 | -174.7 | 57.4 | 0 | 0 | 0 | 0 | 115.1 | ||
| 615 | V | 50.7 | Low | 65.7 | Low | 76 Ų | 76 | 64.7 Ų | 64.7 | 46% | 0.461 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -117.4 | 120.9 | -178.2 | -166.1 | 0 | 0 | 0 | 0 | 109.2 | Q613 E617 D618 | Q613-V615 PolarHBondContact O-N 3.13Å; V615-E617 VanDerWaalsContact C-N 3.27Å; V615-E617 PolarHBondContact O-N 3.24Å; V615-D618 PolarHBondContact O-N 3.36Å |
| 616 | D | 49.2 | Very low | 65.3 | Low | 96 Ų | 96 | 64.3 Ų | 64.3 | 51% | 0.513 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -61.5 | -26.7 | -172.4 | -82.8 | -54.4 | 0 | 0 | 0 | 115.1 | D618 R640 | D616-D618 VanDerWaalsContact C-N 3.32Å; D616-D618 PolarHBondContact O-N 3Å; D616-R640 IonicContact OD1-CZ 3.76Å; D616-R640 IonicContact OD1-NE 2.76Å; D616-R640 IonicContact OD1-NH2 3.4Å; D616-R640 PolarHBondContact OD1-NH2 3.16Å; D616-R640 IonicContact OD2-CZ 3.39Å; D616-R640 IonicContact OD2-NH2 3.83Å; D616-R640 PolarHBondContact OD2-NH2 3.06Å |
| 617 | E | 44.4 | Very low | 65 | Low | 157 Ų | 157 | 66.2 Ų | 66.2 | 73% | 0.734 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -73.7 | -20.4 | -176.7 | -66 | -166.8 | 160.9 | 0 | 0 | 113.4 | V615 L620 | V615-E617 VanDerWaalsContact C-N 3.27Å; V615-E617 PolarHBondContact O-N 3.24Å; E617-L620 WeakPolarHBondContact O-CD1 3.16Å; E617-L620 WeakPolarHBondContact O-CG 3.45Å |
| 618 | D | 45.3 | Very low | 65.2 | Low | 105 Ų | 105 | 67.4 Ų | 67.4 | 56% | 0.561 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -91.4 | -8.3 | -177 | -69.9 | -39.5 | 0 | 0 | 0 | 113.7 | V615 D616 L620 | V615-D618 PolarHBondContact O-N 3.36Å; D616-D618 VanDerWaalsContact C-N 3.32Å; D616-D618 PolarHBondContact O-N 3Å; D618-L620 VanDerWaalsContact C-N 3.29Å |
| 619 | N | 51.6 | Low | 65.6 | Low | 14 Ų | 14 | 67.1 Ų | 67.1 | 8% | 0.075 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -85.7 | -1.5 | 173.5 | -64.6 | -38.2 | 0 | 0 | 0 | 112.6 | ||
| 620 | L | 50.9 | Low | 65.7 | Low | 76 Ų | 76 | 67.6 Ų | 67.6 | 40% | 0.398 | 35% | 0.352 | S | S | . | . | trans | -76.8 | 133.1 | 177.5 | -57.3 | 171.9 | 0 | 0 | 0 | 110.3 | E617 D618 C638 R640 | E617-L620 WeakPolarHBondContact O-CD1 3.16Å; E617-L620 WeakPolarHBondContact O-CG 3.45Å; D618-L620 VanDerWaalsContact C-N 3.29Å; L620-C638 HydrophobicContact CD2-CB 4.34Å; L620-C638 WeakPolarHBondContact CD2-O 3.46Å; L620-R640 HydrophobicContact CD2-CG 3.56Å | ||
| 621 | T | 50.6 | Low | 65.8 | Low | 34 Ų | 34 | 66.1 Ų | 66.1 | 21% | 0.209 | 35% | 0.347 | C | S | . | . | trans | -137.9 | 152.8 | -177.5 | 61.8 | 0 | 0 | 0 | 0 | 112.9 | R586 Q623 T639 | R586-T621 PolarHBondContact NH2-OG1 2.79Å; T621-Q623 VanDerWaalsContact C-N 3.33Å; T621-Q623 PolarHBondContact O-N 3.24Å; T621-T639 PolarHBondContact N-OG1 3.1Å; T621-T639 PolarHBondContact O-OG1 2.93Å; T621-T639 VanDerWaalsContact O-OG1 3.12Å | ||
| 622 | K | 45.5 | Very low | 65.9 | Low | 215 Ų | 215 | 65 Ų | 65 | 94% | 0.935 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -77.7 | -12.9 | -177.4 | -67.5 | -178.5 | 178.1 | -178.6 | 0 | 114.3 | ||
| 623 | Q | 53.7 | Low | 66.1 | Low | 89 Ų | 89 | 63.1 Ų | 63.1 | 42% | 0.416 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -125 | 115.6 | -177.4 | -73.3 | -176.5 | -2.2 | 0 | 0 | 110.4 | R586 T621 | R586-Q623 PolarHBondContact NH2-O 3.08Å; T621-Q623 VanDerWaalsContact C-N 3.33Å; T621-Q623 PolarHBondContact O-N 3.24Å |
| 624 | P | 59 | Low | 66.7 | Low | 64 Ų | 64 | 58.1 Ų | 58.1 | 42% | 0.416 | 31% | 0.31 | S | S | . | . | trans | -70.2 | 143.9 | 171 | 25.8 | -28.5 | 0 | 0 | 0 | 110.3 | L627 M630 | P624-L627 HydrophobicContact CB-CD2 3.71Å; P624-L627 HydrophobicContact CG-CD2 3.89Å; P624-M630 HydrophobicContact CB-CE 3.36Å; P624-M630 HydrophobicContact CB-SD 4.21Å | ||
| 625 | G | 65.8 | Low | 68.3 | Low | 9 Ų | 9 | 55 Ų | 55 | 9% | 0.093 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -62.6 | -166.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L627 Y641 | G625-L627 PolarHBondContact O-N 3.49Å; G625-Y641 PolarHBondContact N-OH 3.26Å |
| 626 | N | 80.9 | Confident | 69.5 | Low | 47 Ų | 47 | 54.1 Ų | 54.1 | 25% | 0.251 | 27% | 0.274 | S | S | . | . | trans | -62 | 108.1 | -177.3 | -165.7 | -31 | 0 | 0 | 0 | 111.6 | D587 R628 W629 M630 | D587-N626 WeakPolarHBondContact OD1-CB 3.32Å; D587-N626 PolarHBondContact OD1-N 2.94Å; N626-R628 PolarHBondContact O-N 3.49Å; N626-R628 PolarHBondContact OD1-N 2.85Å; N626-W629 HydrophobicContact CB-CE3 4.27Å; N626-W629 WeakPolarHBondContact ND2-CZ3 3.4Å; N626-W629 PolarHBondContact O-N 3.26Å; N626-W629 VanDerWaalsContact O-N 3.13Å; N626-M630 PolarHBondContact O-N 3.36Å | ||
| 627 | L | 84 | Confident | 70.2 | Confident | 42 Ų | 42 | 54.6 Ų | 54.6 | 22% | 0.22 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -54.4 | -29.7 | -172.7 | -67.3 | 173 | 0 | 0 | 0 | 113.2 | P624 G625 W629 M630 F635 P669 A670 A673 | P624-L627 HydrophobicContact CB-CD2 3.71Å; P624-L627 HydrophobicContact CG-CD2 3.89Å; G625-L627 PolarHBondContact O-N 3.49Å; L627-W629 PolarHBondContact O-N 2.94Å; L627-M630 HydrophobicContact CD2-CE 3.87Å; L627-M630 HydrophobicContact CD2-SD 3.78Å; L627-M630 VanDerWaalsContact O-CB 3.28Å; L627-M630 WeakPolarHBondContact O-CB 3.43Å; L627-M630 PolarHBondContact O-N 3.19Å; L627-F635 HydrophobicContact CD2-CD2 4.35Å; L627-F635 HydrophobicContact CD2-CE2 4.46Å; L627-P669 CarbonylContact C-O 3.49Å; L627-P669 HydrophobicContact CB-CB 3.91Å; L627-A670 HydrophobicContact CD1-CB 3.68Å; L627-A673 HydrophobicContact CB-CB 4.3Å; L627-A673 VanDerWaalsContact O-CB 3.28Å; L627-A673 WeakPolarHBondContact O-CB 3.35Å |
| 628 | R | 90.8 | Very high | 70.8 | Confident | 26 Ų | 26 | 51.8 Ų | 51.8 | 10% | 0.098 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -66.9 | -35.5 | -177.3 | 178.7 | -178.4 | -58.1 | -70.9 | 1.3 | 113 | N626 P663 F664 L667 P669 A672 M676 | N626-R628 PolarHBondContact O-N 3.49Å; N626-R628 PolarHBondContact OD1-N 2.85Å; R628-P663 VanDerWaalsContact CD-O 3.28Å; R628-P663 WeakPolarHBondContact CD-O 3.41Å; R628-P663 PolarHBondContact NH1-O 3.16Å; R628-F664 PolarHBondContact NH1-O 3.01Å; R628-L667 PolarHBondContact NH1-O 3.14Å; R628-L667 PolarHBondContact NH2-O 3.5Å; R628-P669 HydrophobicContact CB-CB 3.9Å; R628-P669 HydrophobicContact CB-CG 4.34Å; R628-A672 HydrophobicContact CG-CB 4.45Å; R628-M676 VanDerWaalsContact O-CE 3.28Å; R628-M676 WeakPolarHBondContact O-CE 3.33Å |
| 629 | W | 92.6 | Very high | 71.5 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 2% | 0.023 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -97.8 | 7.1 | 178.3 | -67.6 | -102.2 | 0 | 0 | 0 | 112 | N589 N626 L627 S649 L652 C653 E656 | N589-W629 HydrophobicContact CB-CB 4.35Å; N589-W629 HydrophobicContact CB-CD2 3.56Å; N589-W629 HydrophobicContact CB-CE3 3.55Å; N589-W629 HydrophobicContact CB-CG 3.91Å; N589-W629 HydrophobicContact CB-CH2 4.47Å; N589-W629 HydrophobicContact CB-CZ2 4.48Å; N589-W629 HydrophobicContact CB-CZ3 4.03Å; N626-W629 HydrophobicContact CB-CE3 4.27Å; N626-W629 WeakPolarHBondContact ND2-CZ3 3.4Å; N626-W629 PolarHBondContact O-N 3.26Å; N626-W629 VanDerWaalsContact O-N 3.13Å; L627-W629 PolarHBondContact O-N 2.94Å; W629-S649 WeakPolarHBondContact O-CA 3.38Å; W629-S649 WeakPolarHBondContact O-CB 3.43Å; W629-S649 PolarHBondContact O-OG 3.18Å; W629-L652 HydrophobicContact CB-CD1 4.4Å; W629-L652 HydrophobicContact CG-CB 4.41Å; W629-C653 VanDerWaalsContact CD1-SG 3.58Å; W629-E656 WeakPolarHBondContact CZ2-OE2 3.26Å; W629-E656 PolarHBondContact NE1-OE2 3.38Å; W629-E656 VanDerWaalsContact NE1-OE2 3.17Å |
| 630 | M | 89.6 | Confident | 72.2 | Confident | 9 Ų | 9 | 52.1 Ų | 52.1 | 4% | 0.044 | 27% | 0.265 | C | S | . | . | trans | -73.3 | 137 | -175.6 | -178.6 | 165.5 | -66.5 | 0 | 0 | 112.3 | P624 N626 L627 V634 F635 Y641 | P624-M630 HydrophobicContact CB-CE 3.36Å; P624-M630 HydrophobicContact CB-SD 4.21Å; N626-M630 PolarHBondContact O-N 3.36Å; L627-M630 HydrophobicContact CD2-CE 3.87Å; L627-M630 HydrophobicContact CD2-SD 3.78Å; L627-M630 VanDerWaalsContact O-CB 3.28Å; L627-M630 WeakPolarHBondContact O-CB 3.43Å; L627-M630 PolarHBondContact O-N 3.19Å; M630-V634 HydrophobicContact CE-CG1 4.05Å; M630-V634 HydrophobicContact CG-CB 3.88Å; M630-V634 HydrophobicContact CG-CG1 3.85Å; M630-V634 HydrophobicContact SD-CB 4.21Å; M630-V634 HydrophobicContact SD-CG1 3.67Å; M630-F635 HydrophobicContact CG-CB 4.5Å; M630-F635 HydrophobicContact SD-CB 4.21Å; M630-F635 HydrophobicContact SD-CD2 4.29Å; M630-Y641 WeakPolarHBondContact CE-OH 3.42Å | ||
| 631 | A | 90 | Very high | 73.3 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 2% | 0.017 | 25% | 0.249 | C | C | . | . | trans | -69.2 | 143.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | E633 V634 F635 A645 F648 | A631-E633 VanDerWaalsContact C-N 3.32Å; A631-E633 WeakPolarHBondContact CB-OE1 3.34Å; A631-E633 WeakPolarHBondContact CB-OE2 3.44Å; A631-E633 PolarHBondContact O-N 3.13Å; A631-V634 HydrophobicContact CB-CG2 4.12Å; A631-V634 WeakPolarHBondContact O-CB 3.38Å; A631-V634 PolarHBondContact O-N 3.46Å; A631-V634 VanDerWaalsContact O-N 3.14Å; A631-F635 PolarHBondContact O-N 3.1Å; A631-A645 HydrophobicContact CB-CB 3.9Å; A631-F648 HydrophobicContact CB-CB 3.78Å; A631-F648 HydrophobicContact CB-CD1 3.99Å; A631-F648 HydrophobicContact CB-CG 3.86Å | ||
| 632 | P | 89.1 | Confident | 75 | Confident | 8 Ų | 8 | 49.4 Ų | 49.4 | 5% | 0.052 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -47.5 | -45.4 | 177.8 | -37.2 | 41.1 | 0 | 0 | 0 | 115.7 | V634 F635 T636 F648 M676 A677 | P632-V634 VanDerWaalsContact C-N 3.35Å; P632-F635 PolarHBondContact O-N 3.47Å; P632-T636 WeakPolarHBondContact O-CB 3.43Å; P632-T636 WeakPolarHBondContact O-CG2 3.43Å; P632-T636 PolarHBondContact O-N 3.13Å; P632-T636 PolarHBondContact O-OG1 2.89Å; P632-F648 VanDerWaalsContact CD-CZ 3.42Å; P632-F648 HydrophobicContact CG-CE2 3.86Å; P632-F648 HydrophobicContact CG-CZ 3.94Å; P632-M676 HydrophobicContact CG-CB 4.35Å; P632-A677 HydrophobicContact CB-CB 4.33Å |
| 633 | E | 85.7 | Confident | 77.2 | Confident | 15 Ų | 15 | 40.5 Ų | 40.5 | 7% | 0.07 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.2 | -34.3 | -176.7 | 67 | -79 | -170.9 | 0 | 0 | 112.1 | A631 F635 T636 Q637 P705 R708 | A631-E633 VanDerWaalsContact C-N 3.32Å; A631-E633 WeakPolarHBondContact CB-OE1 3.34Å; A631-E633 WeakPolarHBondContact CB-OE2 3.44Å; A631-E633 PolarHBondContact O-N 3.13Å; E633-F635 VanDerWaalsContact C-N 3.29Å; E633-F635 PolarHBondContact O-N 3.13Å; E633-T636 PolarHBondContact O-N 2.91Å; E633-Q637 VanDerWaalsContact O-CB 3.27Å; E633-Q637 WeakPolarHBondContact O-CB 3.44Å; E633-Q637 PolarHBondContact O-N 3.13Å; E633-P705 HydrophobicContact CB-CG 4.17Å; E633-P705 HydrophobicContact CG-CG 3.81Å; E633-R708 IonicContact OE1-CZ 3.44Å; E633-R708 IonicContact OE1-NH1 3.88Å; E633-R708 PolarHBondContact OE1-NH1 2.84Å; E633-R708 IonicContact OE1-NH2 2.95Å; E633-R708 PolarHBondContact OE1-NH2 2.88Å; E633-R708 IonicContact OE2-CZ 2.64Å; E633-R708 IonicContact OE2-NH1 3.78Å; E633-R708 PolarHBondContact OE2-NH1 2.69Å; E633-R708 IonicContact OE2-NH2 2.99Å; E633-R708 PolarHBondContact OE2-NH2 3.18Å |
| 634 | V | 83 | Confident | 79.1 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.2 | -39.9 | 175.1 | 176.7 | 0 | 0 | 0 | 0 | 110 | M630 A631 P632 T639 Y641 A645 | M630-V634 HydrophobicContact CE-CG1 4.05Å; M630-V634 HydrophobicContact CG-CB 3.88Å; M630-V634 HydrophobicContact CG-CG1 3.85Å; M630-V634 HydrophobicContact SD-CB 4.21Å; M630-V634 HydrophobicContact SD-CG1 3.67Å; A631-V634 HydrophobicContact CB-CG2 4.12Å; A631-V634 WeakPolarHBondContact O-CB 3.38Å; A631-V634 PolarHBondContact O-N 3.46Å; A631-V634 VanDerWaalsContact O-N 3.14Å; P632-V634 VanDerWaalsContact C-N 3.35Å; V634-T639 VanDerWaalsContact O-CA 3.3Å; V634-T639 WeakPolarHBondContact O-CA 3.29Å; V634-T639 PolarHBondContact O-N 3.09Å; V634-Y641 HydrophobicContact CB-CE1 4.47Å; V634-Y641 HydrophobicContact CG1-CD1 4.19Å; V634-Y641 HydrophobicContact CG1-CD2 3.96Å; V634-Y641 HydrophobicContact CG1-CE1 3.69Å; V634-Y641 HydrophobicContact CG1-CE2 3.38Å; V634-Y641 HydrophobicContact CG1-CG 4.32Å; V634-Y641 WeakPolarHBondContact CG1-OH 3.4Å; V634-Y641 HydrophobicContact CG2-CD1 3.82Å; V634-Y641 HydrophobicContact CG2-CD2 4.49Å; V634-Y641 HydrophobicContact CG2-CE1 3.97Å; V634-Y641 HydrophobicContact CG2-CG 4.1Å; V634-A645 HydrophobicContact CG2-CB 3.61Å |
| 635 | F | 81.5 | Confident | 80.6 | Confident | 64 Ų | 64 | 34.2 Ų | 34.2 | 28% | 0.281 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -71.8 | -37.8 | 179.6 | -171.2 | -101.2 | 0 | 0 | 0 | 112.7 | L627 M630 A631 P632 E633 A673 A674 A677 Y678 | L627-F635 HydrophobicContact CD2-CD2 4.35Å; L627-F635 HydrophobicContact CD2-CE2 4.46Å; M630-F635 HydrophobicContact CG-CB 4.5Å; M630-F635 HydrophobicContact SD-CB 4.21Å; M630-F635 HydrophobicContact SD-CD2 4.29Å; A631-F635 PolarHBondContact O-N 3.1Å; P632-F635 PolarHBondContact O-N 3.47Å; E633-F635 VanDerWaalsContact C-N 3.29Å; E633-F635 PolarHBondContact O-N 3.13Å; F635-A673 HydrophobicContact CD2-CB 3.69Å; F635-A673 HydrophobicContact CE2-CB 3.8Å; F635-A673 HydrophobicContact CG-CB 4.2Å; F635-A673 HydrophobicContact CZ-CB 4.38Å; F635-A674 HydrophobicContact CE1-CB 3.92Å; F635-A674 HydrophobicContact CZ-CB 4Å; F635-A677 HydrophobicContact CB-CB 4.36Å; F635-A677 HydrophobicContact CD1-CB 3.63Å; F635-A677 HydrophobicContact CE1-CB 4.37Å; F635-A677 HydrophobicContact CG-CB 4.35Å; F635-Y678 HydrophobicContact CD1-CE2 4.1Å; F635-Y678 HydrophobicContact CE1-CD2 4.25Å; F635-Y678 AromaticContact CE1-CE2 3.56Å; F635-Y678 HydrophobicContact CE1-CE2 3.56Å |
| 636 | T | 76.8 | Confident | 82 | Confident | 57 Ų | 57 | 33.8 Ų | 33.8 | 35% | 0.35 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -93.2 | -32.1 | -172.6 | 52.4 | 0 | 0 | 0 | 0 | 114.6 | P632 E633 A677 Y678 | P632-T636 WeakPolarHBondContact O-CB 3.43Å; P632-T636 WeakPolarHBondContact O-CG2 3.43Å; P632-T636 PolarHBondContact O-N 3.13Å; P632-T636 PolarHBondContact O-OG1 2.89Å; E633-T636 PolarHBondContact O-N 2.91Å; T636-A677 HydrophobicContact CG2-CB 3.77Å; T636-Y678 HydrophobicContact CG2-CD1 4.12Å; T636-Y678 HydrophobicContact CG2-CE1 3.53Å |
| 637 | Q | 63.2 | Low | 82.8 | Confident | 107 Ų | 107 | 31.8 Ų | 31.8 | 50% | 0.5 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | 42.4 | -172.3 | -56.3 | -178.4 | -7.6 | 0 | 0 | 112.3 | E633 T639 | E633-Q637 VanDerWaalsContact O-CB 3.27Å; E633-Q637 WeakPolarHBondContact O-CB 3.44Å; E633-Q637 PolarHBondContact O-N 3.13Å; Q637-T639 PolarHBondContact O-N 2.88Å |
| 638 | C | 56.5 | Low | 83.4 | Confident | 97 Ų | 97 | 29.8 Ų | 29.8 | 66% | 0.655 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 41.3 | 174.5 | -59.9 | 0 | 0 | 0 | 0 | 114.8 | L620 | L620-C638 HydrophobicContact CD2-CB 4.34Å; L620-C638 WeakPolarHBondContact CD2-O 3.46Å |
| 639 | T | 60.3 | Low | 83.6 | Confident | 24 Ų | 24 | 29 Ų | 29 | 15% | 0.147 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 28.6 | 175.1 | 73 | 0 | 0 | 0 | 0 | 116.3 | T621 V634 Q637 Y641 | T621-T639 PolarHBondContact N-OG1 3.1Å; T621-T639 PolarHBondContact O-OG1 2.93Å; T621-T639 VanDerWaalsContact O-OG1 3.12Å; V634-T639 VanDerWaalsContact O-CA 3.3Å; V634-T639 WeakPolarHBondContact O-CA 3.29Å; V634-T639 PolarHBondContact O-N 3.09Å; Q637-T639 PolarHBondContact O-N 2.88Å; T639-Y641 VanDerWaalsContact O-CD2 3.23Å; T639-Y641 WeakPolarHBondContact O-CD2 3.34Å; T639-Y641 PolarHBondContact O-N 3.21Å; T639-Y641 VanDerWaalsContact O-N 3.16Å |
| 640 | R | 66.6 | Low | 83.9 | Confident | 103 Ų | 103 | 28.9 Ų | 28.9 | 39% | 0.389 | 15% | 0.153 | S | C | . | . | trans | -69.6 | 108.5 | 167.3 | -69.4 | -178.7 | 72.6 | -179.6 | -1.5 | 109.9 | D616 L620 | D616-R640 IonicContact OD1-CZ 3.76Å; D616-R640 IonicContact OD1-NE 2.76Å; D616-R640 IonicContact OD1-NH2 3.4Å; D616-R640 PolarHBondContact OD1-NH2 3.16Å; D616-R640 IonicContact OD2-CZ 3.39Å; D616-R640 IonicContact OD2-NH2 3.83Å; D616-R640 PolarHBondContact OD2-NH2 3.06Å; L620-R640 HydrophobicContact CD2-CG 3.56Å | ||
| 641 | Y | 75 | Confident | 84.3 | Confident | 15 Ų | 15 | 28.6 Ų | 28.6 | 6% | 0.059 | 15% | 0.151 | C | C | . | . | trans | -95.2 | 139.9 | 174.3 | -75.9 | -97.4 | 0 | 0 | 0 | 111 | R586 G625 M630 V634 T639 A645 | R586-Y641 HydrophobicContact CB-CD1 3.86Å; R586-Y641 HydrophobicContact CB-CE1 3.65Å; R586-Y641 HydrophobicContact CB-CG 4.45Å; R586-Y641 HydrophobicContact CG-CD1 3.56Å; R586-Y641 HydrophobicContact CG-CD2 4.31Å; R586-Y641 HydrophobicContact CG-CE1 3.9Å; R586-Y641 HydrophobicContact CG-CG 3.79Å; R586-Y641 VanDerWaalsContact NE-CD2 3.33Å; G625-Y641 PolarHBondContact N-OH 3.26Å; M630-Y641 WeakPolarHBondContact CE-OH 3.42Å; V634-Y641 HydrophobicContact CB-CE1 4.47Å; V634-Y641 HydrophobicContact CG1-CD1 4.19Å; V634-Y641 HydrophobicContact CG1-CD2 3.96Å; V634-Y641 HydrophobicContact CG1-CE1 3.69Å; V634-Y641 HydrophobicContact CG1-CE2 3.38Å; V634-Y641 HydrophobicContact CG1-CG 4.32Å; V634-Y641 WeakPolarHBondContact CG1-OH 3.4Å; V634-Y641 HydrophobicContact CG2-CD1 3.82Å; V634-Y641 HydrophobicContact CG2-CD2 4.49Å; V634-Y641 HydrophobicContact CG2-CE1 3.97Å; V634-Y641 HydrophobicContact CG2-CG 4.1Å; T639-Y641 VanDerWaalsContact O-CD2 3.23Å; T639-Y641 WeakPolarHBondContact O-CD2 3.34Å; T639-Y641 PolarHBondContact O-N 3.21Å; T639-Y641 VanDerWaalsContact O-N 3.16Å; Y641-A645 HydrophobicContact CD1-CB 4.21Å | ||
| 642 | S | 86.3 | Confident | 84.6 | Confident | 37 Ų | 37 | 28.5 Ų | 28.5 | 26% | 0.259 | 15% | 0.15 | S | C | . | . | trans | -131.5 | 172.1 | 168.3 | 70.3 | 0 | 0 | 0 | 0 | 109.6 | K644 A645 | S642-K644 PolarHBondContact O-N 3.42Å; S642-K644 VanDerWaalsContact O-N 3.16Å; S642-K644 WeakPolarHBondContact OG-CB 3.35Å; S642-K644 PolarHBondContact OG-N 2.95Å; S642-A645 WeakPolarHBondContact O-CB 3.42Å; S642-A645 PolarHBondContact O-N 2.83Å | ||
| 643 | V | 90.7 | Very high | 85 | Confident | 29 Ų | 29 | 28.3 Ų | 28.3 | 18% | 0.176 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -55.7 | -28.4 | 170.9 | -65 | 0 | 0 | 0 | 0 | 112.3 | H577 I584 A645 D646 M647 | H577-V643 HydrophobicContact CB-CG1 4.16Å; H577-V643 PolarHBondContact CE1-O 2.89Å; H577-V643 WeakPolarHBondContact ND1-CB 3.36Å; I584-V643 HydrophobicContact CG2-CG1 3.99Å; V643-A645 VanDerWaalsContact C-N 3.32Å; V643-A645 PolarHBondContact O-N 3.35Å; V643-D646 PolarHBondContact O-N 3.45Å; V643-M647 PolarHBondContact O-N 3.1Å |
| 644 | K | 93.3 | Very high | 85.6 | Confident | 18 Ų | 18 | 27.9 Ų | 27.9 | 8% | 0.078 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -71.1 | -24.9 | 176.8 | -57 | -58.2 | -160.7 | -179.2 | 0 | 113.3 | S642 M647 F648 P705 R708 E710 | S642-K644 PolarHBondContact O-N 3.42Å; S642-K644 VanDerWaalsContact O-N 3.16Å; S642-K644 WeakPolarHBondContact OG-CB 3.35Å; S642-K644 PolarHBondContact OG-N 2.95Å; K644-M647 WeakPolarHBondContact O-CB 3.45Å; K644-M647 PolarHBondContact O-N 2.84Å; K644-F648 PolarHBondContact O-N 3.13Å; K644-P705 HydrophobicContact CB-CB 3.92Å; K644-P705 WeakPolarHBondContact CD-O 3.32Å; K644-P705 HydrophobicContact CG-CB 4.42Å; K644-P705 VanDerWaalsContact CG-O 3.31Å; K644-P705 WeakPolarHBondContact CG-O 3.31Å; K644-R708 HydrophobicContact CD-CB 4.33Å; K644-R708 PolarHBondContact NZ-O 2.81Å; K644-R708 WeakPolarHBondContact O-CD 3.32Å; K644-R708 PolarHBondContact O-NH1 2.91Å; K644-E710 WeakPolarHBondContact CE-OE1 3.37Å; K644-E710 IonicContact NZ-OE1 3.55Å; K644-E710 PolarHBondContact NZ-OE1 3.35Å |
| 645 | A | 92.1 | Very high | 86.2 | Confident | 2 Ų | 2 | 28 Ų | 28 | 2% | 0.017 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -69.9 | -42.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | A631 V634 Y641 S642 V643 M647 F648 S649 | A631-A645 HydrophobicContact CB-CB 3.9Å; V634-A645 HydrophobicContact CG2-CB 3.61Å; Y641-A645 HydrophobicContact CD1-CB 4.21Å; S642-A645 WeakPolarHBondContact O-CB 3.42Å; S642-A645 PolarHBondContact O-N 2.83Å; V643-A645 VanDerWaalsContact C-N 3.32Å; V643-A645 PolarHBondContact O-N 3.35Å; A645-M647 PolarHBondContact O-N 3.38Å; A645-F648 WeakPolarHBondContact O-CB 3.26Å; A645-F648 PolarHBondContact O-N 3.25Å; A645-F648 VanDerWaalsContact O-N 3.16Å; A645-S649 PolarHBondContact O-N 2.76Å; A645-S649 VanDerWaalsContact O-N 3.14Å; A645-S649 PolarHBondContact O-OG 2.73Å |
| 646 | D | 94.9 | Very high | 86.9 | Confident | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.2 | -36.8 | 173.6 | -79.4 | -15.3 | 0 | 0 | 0 | 111.5 | M573 H577 I584 H585 R586 V643 F648 S649 Y650 F711 | M573-D646 HydrophobicContact CE-CB 3.61Å; M573-D646 WeakPolarHBondContact CE-OD2 3.26Å; H577-D646 IonicContact CE1-OD2 3.2Å; H577-D646 IonicContact NE2-OD2 2.83Å; H577-D646 PolarHBondContact NE2-OD2 3.39Å; I584-D646 WeakPolarHBondContact CA-OD2 3.49Å; H585-D646 PolarHBondContact N-OD1 3.35Å; H585-D646 PolarHBondContact N-OD2 3.01Å; R586-D646 PolarHBondContact N-OD1 3.26Å; V643-D646 PolarHBondContact O-N 3.45Å; D646-F648 VanDerWaalsContact C-N 3.32Å; D646-F648 PolarHBondContact O-N 3.07Å; D646-S649 PolarHBondContact O-N 2.79Å; D646-Y650 PolarHBondContact O-N 3.22Å; D646-F711 HydrophobicContact CB-CE2 4.49Å |
| 647 | M | 96.8 | Very high | 87.8 | Confident | 5 Ų | 5 | 22.5 Ų | 22.5 | 3% | 0.025 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.7 | -36.8 | 176.6 | -163.4 | 62.6 | -106.1 | 0 | 0 | 112.6 | V643 K644 A645 Y650 A651 R708 P709 F711 V714 | V643-M647 PolarHBondContact O-N 3.1Å; K644-M647 WeakPolarHBondContact O-CB 3.45Å; K644-M647 PolarHBondContact O-N 2.84Å; A645-M647 PolarHBondContact O-N 3.38Å; M647-Y650 HydrophobicContact CE-CD1 3.11Å; M647-Y650 HydrophobicContact CE-CE1 3.86Å; M647-Y650 HydrophobicContact CE-CG 3.7Å; M647-Y650 PolarHBondContact O-N 3.21Å; M647-A651 PolarHBondContact O-N 3.27Å; M647-R708 HydrophobicContact CG-CB 4.37Å; M647-P709 WeakPolarHBondContact CG-O 3.38Å; M647-F711 HydrophobicContact CB-CE2 4.2Å; M647-F711 HydrophobicContact CB-CZ 4.41Å; M647-F711 HydrophobicContact CE-CD1 4.11Å; M647-F711 HydrophobicContact CE-CE1 3.61Å; M647-F711 HydrophobicContact CE-CZ 3.85Å; M647-F711 HydrophobicContact SD-CD1 3.71Å; M647-F711 HydrophobicContact SD-CD2 3.75Å; M647-F711 HydrophobicContact SD-CE1 3.54Å; M647-F711 VanDerWaalsContact SD-CE1 3.54Å; M647-F711 HydrophobicContact SD-CE2 3.55Å; M647-F711 VanDerWaalsContact SD-CE2 3.55Å; M647-F711 HydrophobicContact SD-CG 3.82Å; M647-F711 HydrophobicContact SD-CZ 3.46Å; M647-F711 WeakPolarHBondContact SD-CZ 3.44Å; M647-V714 HydrophobicContact CE-CG1 4.45Å; M647-V714 HydrophobicContact CE-CG2 3.73Å; M647-V714 HydrophobicContact SD-CG2 3.81Å |
| 648 | F | 96.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.8 | -45.4 | 173.4 | -174.3 | -80.8 | 0 | 0 | 0 | 111.5 | A631 P632 K644 A645 D646 Y650 A651 L652 M676 W701 | A631-F648 HydrophobicContact CB-CB 3.78Å; A631-F648 HydrophobicContact CB-CD1 3.99Å; A631-F648 HydrophobicContact CB-CG 3.86Å; P632-F648 VanDerWaalsContact CD-CZ 3.42Å; P632-F648 HydrophobicContact CG-CE2 3.86Å; P632-F648 HydrophobicContact CG-CZ 3.94Å; K644-F648 PolarHBondContact O-N 3.13Å; A645-F648 WeakPolarHBondContact O-CB 3.26Å; A645-F648 PolarHBondContact O-N 3.25Å; A645-F648 VanDerWaalsContact O-N 3.16Å; D646-F648 VanDerWaalsContact C-N 3.32Å; D646-F648 PolarHBondContact O-N 3.07Å; F648-Y650 VanDerWaalsContact C-N 3.31Å; F648-Y650 PolarHBondContact O-N 2.62Å; F648-A651 WeakPolarHBondContact O-CB 3.37Å; F648-A651 PolarHBondContact O-N 3.04Å; F648-L652 HydrophobicContact CD1-CD1 3.99Å; F648-L652 HydrophobicContact CD1-CG 4.46Å; F648-L652 HydrophobicContact CE1-CD1 3.56Å; F648-L652 HydrophobicContact CE1-CG 4.17Å; F648-L652 HydrophobicContact CZ-CD1 4.5Å; F648-L652 PolarHBondContact O-N 3.11Å; F648-M676 HydrophobicContact CE1-CE 4.1Å; F648-M676 HydrophobicContact CE1-SD 3.61Å; F648-M676 HydrophobicContact CZ-CB 4.37Å; F648-M676 HydrophobicContact CZ-CG 4.45Å; F648-M676 HydrophobicContact CZ-SD 3.58Å; F648-M676 VanDerWaalsContact CZ-SD 3.58Å; F648-W701 VanDerWaalsContact CD2-CA 3.48Å; F648-W701 HydrophobicContact CD2-CB 3.77Å; F648-W701 HydrophobicContact CE2-CB 3.59Å; F648-W701 WeakPolarHBondContact CE2-O 3.49Å; F648-W701 HydrophobicContact CZ-CB 4.21Å |
| 649 | S | 96.3 | Very high | 90.8 | Very high | 8 Ų | 8 | 15.6 Ų | 15.6 | 6% | 0.056 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.7 | -42.7 | 176.4 | -57.3 | 0 | 0 | 0 | 0 | 111.7 | L588 W629 A645 D646 A651 L652 C653 | L588-S649 WeakPolarHBondContact O-CB 3.36Å; W629-S649 WeakPolarHBondContact O-CA 3.38Å; W629-S649 WeakPolarHBondContact O-CB 3.43Å; W629-S649 PolarHBondContact O-OG 3.18Å; A645-S649 PolarHBondContact O-N 2.76Å; A645-S649 VanDerWaalsContact O-N 3.14Å; A645-S649 PolarHBondContact O-OG 2.73Å; D646-S649 PolarHBondContact O-N 2.79Å; S649-A651 PolarHBondContact O-N 2.8Å; S649-L652 PolarHBondContact O-N 3.3Å; S649-C653 PolarHBondContact O-N 3.06Å; S649-C653 PolarHBondContact O-SG 3.41Å |
| 650 | Y | 98.1 | Very high | 92.3 | Very high | 5 Ų | 5 | 16 Ų | 16 | 2% | 0.02 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.1 | -43.8 | 173.7 | 172.8 | -86.7 | 0 | 0 | 0 | 112.4 | A566 V569 A570 L588 D646 M647 F648 L652 C653 L654 F711 V714 L718 | A566-Y650 PolarHBondContact O-OH 3.22Å; V569-Y650 HydrophobicContact CB-CD2 4.43Å; V569-Y650 HydrophobicContact CB-CE2 4.02Å; V569-Y650 HydrophobicContact CG1-CD2 3.7Å; V569-Y650 HydrophobicContact CG1-CE2 3.8Å; A570-Y650 HydrophobicContact CB-CE2 3.93Å; L588-Y650 HydrophobicContact CD2-CD2 4.46Å; D646-Y650 PolarHBondContact O-N 3.22Å; M647-Y650 HydrophobicContact CE-CD1 3.11Å; M647-Y650 HydrophobicContact CE-CE1 3.86Å; M647-Y650 HydrophobicContact CE-CG 3.7Å; M647-Y650 PolarHBondContact O-N 3.21Å; F648-Y650 VanDerWaalsContact C-N 3.31Å; F648-Y650 PolarHBondContact O-N 2.62Å; Y650-L652 PolarHBondContact O-N 3.41Å; Y650-C653 CarbonylContact O-C 3.5Å; Y650-C653 WeakPolarHBondContact O-CB 3.19Å; Y650-C653 PolarHBondContact O-N 2.91Å; Y650-C653 VanDerWaalsContact O-N 3.09Å; Y650-L654 HydrophobicContact CE1-CB 4.24Å; Y650-L654 HydrophobicContact CE1-CD2 4.07Å; Y650-L654 WeakPolarHBondContact O-CB 3.26Å; Y650-L654 PolarHBondContact O-N 3.01Å; Y650-F711 HydrophobicContact CD1-CE1 4.17Å; Y650-F711 AromaticContact CD2-CE1 3.8Å; Y650-F711 HydrophobicContact CD2-CE1 3.8Å; Y650-F711 HydrophobicContact CE2-CE1 4.38Å; Y650-F711 AromaticContact CG-CE1 3.66Å; Y650-F711 HydrophobicContact CG-CE1 3.66Å; Y650-F711 HydrophobicContact CG-CZ 4.17Å; Y650-V714 HydrophobicContact CE1-CG1 3.68Å; Y650-L718 WeakPolarHBondContact OH-CD1 3.5Å |
| 651 | A | 97.7 | Very high | 93.4 | Very high | 2 Ų | 2 | 16.5 Ų | 16.5 | 2% | 0.017 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -59.7 | -36.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | M647 F648 S649 L654 W655 L697 W701 | M647-A651 PolarHBondContact O-N 3.27Å; F648-A651 WeakPolarHBondContact O-CB 3.37Å; F648-A651 PolarHBondContact O-N 3.04Å; S649-A651 PolarHBondContact O-N 2.8Å; A651-L654 PolarHBondContact O-N 3.44Å; A651-W655 PolarHBondContact O-N 3.06Å; A651-L697 HydrophobicContact CB-CD2 4.49Å; A651-L697 WeakPolarHBondContact O-CD2 3.07Å; A651-W701 HydrophobicContact CB-CB 4.21Å |
| 652 | L | 97.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -69.7 | -40.3 | 173.4 | -68.5 | 175.5 | 0 | 0 | 0 | 112.7 | W629 F648 S649 Y650 L654 W655 E656 P663 M676 P683 W701 | W629-L652 HydrophobicContact CB-CD1 4.4Å; W629-L652 HydrophobicContact CG-CB 4.41Å; F648-L652 HydrophobicContact CD1-CD1 3.99Å; F648-L652 HydrophobicContact CD1-CG 4.46Å; F648-L652 HydrophobicContact CE1-CD1 3.56Å; F648-L652 HydrophobicContact CE1-CG 4.17Å; F648-L652 HydrophobicContact CZ-CD1 4.5Å; F648-L652 PolarHBondContact O-N 3.11Å; S649-L652 PolarHBondContact O-N 3.3Å; Y650-L652 PolarHBondContact O-N 3.41Å; L652-L654 VanDerWaalsContact C-N 3.34Å; L652-W655 PolarHBondContact O-N 3.46Å; L652-E656 WeakPolarHBondContact O-CB 3.44Å; L652-E656 PolarHBondContact O-N 3.19Å; L652-P663 HydrophobicContact CB-CG 4.31Å; L652-P663 HydrophobicContact CD2-CB 4.24Å; L652-M676 HydrophobicContact CD1-CE 4.03Å; L652-M676 HydrophobicContact CD1-SD 3.82Å; L652-M676 HydrophobicContact CD2-SD 4.23Å; L652-P683 HydrophobicContact CD2-CG 3.76Å; L652-W701 HydrophobicContact CD2-CE3 3.82Å; L652-W701 HydrophobicContact CD2-CZ3 4.1Å |
| 653 | C | 97.4 | Very high | 94.3 | Very high | 5 Ų | 5 | 16.1 Ų | 16.1 | 3% | 0.034 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.6 | -39.6 | 172.4 | -69.1 | 0 | 0 | 0 | 0 | 112.3 | N589 I593 W629 S649 Y650 E656 L657 | N589-C653 VanDerWaalsContact CA-SG 3.52Å; I593-C653 HydrophobicContact CD1-CB 4.14Å; W629-C653 VanDerWaalsContact CD1-SG 3.58Å; S649-C653 PolarHBondContact O-N 3.06Å; S649-C653 PolarHBondContact O-SG 3.41Å; Y650-C653 CarbonylContact O-C 3.5Å; Y650-C653 WeakPolarHBondContact O-CB 3.19Å; Y650-C653 PolarHBondContact O-N 2.91Å; Y650-C653 VanDerWaalsContact O-N 3.09Å; C653-E656 PolarHBondContact O-N 3.12Å; C653-L657 VanDerWaalsContact O-CB 3.32Å; C653-L657 WeakPolarHBondContact O-CB 3.46Å; C653-L657 PolarHBondContact O-N 2.89Å |
| 654 | L | 97.2 | Very high | 94.1 | Very high | 5 Ų | 5 | 15.2 Ų | 15.2 | 3% | 0.026 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.4 | -44.7 | 176.2 | 178.2 | 58.4 | 0 | 0 | 0 | 110.8 | A566 Y650 A651 L652 L657 L658 I693 L696 L697 | A566-L654 HydrophobicContact CB-CD1 3.65Å; Y650-L654 HydrophobicContact CE1-CB 4.24Å; Y650-L654 HydrophobicContact CE1-CD2 4.07Å; Y650-L654 WeakPolarHBondContact O-CB 3.26Å; Y650-L654 PolarHBondContact O-N 3.01Å; A651-L654 PolarHBondContact O-N 3.44Å; L652-L654 VanDerWaalsContact C-N 3.34Å; L654-L657 PolarHBondContact O-N 2.88Å; L654-L658 HydrophobicContact CD1-CD1 3.87Å; L654-L658 HydrophobicContact CD1-CG 4.2Å; L654-L658 HydrophobicContact CG-CD1 3.9Å; L654-L658 WeakPolarHBondContact O-CB 3.42Å; L654-L658 WeakPolarHBondContact O-CD1 3.38Å; L654-L658 WeakPolarHBondContact O-CG 3.48Å; L654-L658 PolarHBondContact O-N 3.16Å; L654-I693 HydrophobicContact CD2-CG2 4.34Å; L654-L696 HydrophobicContact CD2-CD2 4.04Å; L654-L697 HydrophobicContact CB-CD2 4.07Å; L654-L697 HydrophobicContact CD2-CD2 3.99Å; L654-L697 HydrophobicContact CD2-CG 4.45Å; L654-L697 HydrophobicContact CG-CD2 3.98Å |
| 655 | W | 96.5 | Very high | 93.6 | Very high | 5 Ų | 5 | 17.4 Ų | 17.4 | 2% | 0.019 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.2 | -48.4 | 174.6 | -177 | 90.9 | 0 | 0 | 0 | 111.4 | A651 L652 L657 L658 T659 E661 P663 P683 P684 L697 W701 | A651-W655 PolarHBondContact O-N 3.06Å; L652-W655 PolarHBondContact O-N 3.46Å; W655-L657 PolarHBondContact O-N 2.89Å; W655-L658 PolarHBondContact O-N 3.4Å; W655-L658 VanDerWaalsContact O-N 3.17Å; W655-T659 HydrophobicContact CD2-CG2 4.01Å; W655-T659 HydrophobicContact CG-CG2 4.43Å; W655-T659 HydrophobicContact CH2-CG2 4.34Å; W655-T659 HydrophobicContact CZ2-CG2 3.79Å; W655-T659 WeakPolarHBondContact O-CG2 3.34Å; W655-T659 PolarHBondContact O-N 3.34Å; W655-T659 PolarHBondContact O-OG1 2.86Å; W655-E661 HydrophobicContact CH2-CB 3.75Å; W655-E661 HydrophobicContact CZ3-CB 3.88Å; W655-E661 VanDerWaalsContact CZ3-O 3.29Å; W655-E661 WeakPolarHBondContact CZ3-O 3.46Å; W655-P663 HydrophobicContact CE3-CB 4.38Å; W655-P663 HydrophobicContact CE3-CG 4.09Å; W655-P663 HydrophobicContact CZ3-CB 4.45Å; W655-P663 HydrophobicContact CZ3-CG 4.38Å; W655-P683 HydrophobicContact CD2-CB 3.55Å; W655-P683 HydrophobicContact CD2-CG 4.27Å; W655-P683 HydrophobicContact CE3-CB 3.97Å; W655-P683 HydrophobicContact CE3-CG 4.4Å; W655-P683 HydrophobicContact CG-CB 4.07Å; W655-P683 HydrophobicContact CH2-CB 4.01Å; W655-P683 HydrophobicContact CZ2-CB 3.58Å; W655-P683 HydrophobicContact CZ3-CB 4.18Å; W655-P684 HydrophobicContact CZ2-CG 4.41Å; W655-P684 PolarHBondContact NE1-O 3.38Å; W655-L697 HydrophobicContact CB-CD1 4.46Å; W655-L697 HydrophobicContact CB-CD2 4.03Å; W655-W701 HydrophobicContact CB-CZ3 4.31Å; W655-W701 AromaticContact CD1-CH2 3.94Å; W655-W701 HydrophobicContact CG-CH2 4.47Å; W655-W701 HydrophobicContact CG-CZ3 4.24Å |
| 656 | E | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.5 | -43.6 | 177.8 | 174.7 | 177.8 | -167.2 | 0 | 0 | 112.7 | L550 H551 S590 W629 L652 C653 L658 G660 E661 P663 | L550-E656 HydrophobicContact CD1-CG 4.06Å; H551-E656 IonicContact CD2-OE1 3.83Å; H551-E656 IonicContact CE1-OE1 3.56Å; H551-E656 IonicContact NE2-OE1 3.41Å; H551-E656 PolarHBondContact NE2-OE1 2.92Å; S590-E656 WeakPolarHBondContact CB-OE1 3.44Å; S590-E656 VanDerWaalsContact CB-OE2 3.32Å; S590-E656 WeakPolarHBondContact CB-OE2 3.33Å; S590-E656 PolarHBondContact OG-OE1 3.41Å; S590-E656 PolarHBondContact OG-OE2 3.2Å; S590-E656 VanDerWaalsContact OG-OE2 3.11Å; W629-E656 WeakPolarHBondContact CZ2-OE2 3.26Å; W629-E656 PolarHBondContact NE1-OE2 3.38Å; W629-E656 VanDerWaalsContact NE1-OE2 3.17Å; L652-E656 WeakPolarHBondContact O-CB 3.44Å; L652-E656 PolarHBondContact O-N 3.19Å; C653-E656 PolarHBondContact O-N 3.12Å; E656-L658 VanDerWaalsContact C-N 3.32Å; E656-L658 PolarHBondContact O-N 3.32Å; E656-G660 VanDerWaalsContact O-CA 3.26Å; E656-G660 WeakPolarHBondContact O-CA 3.44Å; E656-G660 PolarHBondContact O-N 3.47Å; E656-E661 WeakPolarHBondContact CA-O 3.44Å; E656-E661 WeakPolarHBondContact CG-O 3.24Å; E656-P663 HydrophobicContact CB-CG 4.01Å |
| 657 | L | 94.9 | Very high | 92.2 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.4 | -39.8 | 176.5 | 176.9 | 62.2 | 0 | 0 | 0 | 112 | L546 I557 K562 I565 A566 C653 L654 W655 | L546-L657 HydrophobicContact CD1-CD1 3.76Å; L546-L657 HydrophobicContact CD2-CD1 4.37Å; I557-L657 HydrophobicContact CD1-CD1 4.33Å; K562-L657 HydrophobicContact CB-CD1 4.42Å; K562-L657 HydrophobicContact CB-CD2 4.37Å; K562-L657 HydrophobicContact CB-CG 4.12Å; K562-L657 WeakPolarHBondContact CD-O 3.22Å; K562-L657 WeakPolarHBondContact CE-O 3.5Å; K562-L657 HydrophobicContact CG-CD1 4Å; K562-L657 HydrophobicContact CG-CG 4.07Å; K562-L657 PolarHBondContact NZ-O 3.2Å; K562-L657 WeakPolarHBondContact O-CD2 3.47Å; I565-L657 HydrophobicContact CB-CD2 4Å; I565-L657 HydrophobicContact CD1-CD1 4.35Å; I565-L657 HydrophobicContact CG2-CD1 4.37Å; I565-L657 HydrophobicContact CG2-CD2 3.73Å; A566-L657 HydrophobicContact CB-CD2 4.22Å; C653-L657 VanDerWaalsContact O-CB 3.32Å; C653-L657 WeakPolarHBondContact O-CB 3.46Å; C653-L657 PolarHBondContact O-N 2.89Å; L654-L657 PolarHBondContact O-N 2.88Å; W655-L657 PolarHBondContact O-N 2.89Å |
| 658 | L | 92.9 | Very high | 91.6 | Very high | 19 Ų | 19 | 26.6 Ų | 26.6 | 10% | 0.099 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -73.9 | -44 | -177.9 | -68.9 | 164.8 | 0 | 0 | 0 | 112 | L559 K562 L654 W655 E656 I689 I693 L697 | L559-L658 HydrophobicContact CD1-CD2 4.06Å; K562-L658 HydrophobicContact CD-CD2 4.48Å; K562-L658 PolarHBondContact NZ-O 3.23Å; L654-L658 HydrophobicContact CD1-CD1 3.87Å; L654-L658 HydrophobicContact CD1-CG 4.2Å; L654-L658 HydrophobicContact CG-CD1 3.9Å; L654-L658 WeakPolarHBondContact O-CB 3.42Å; L654-L658 WeakPolarHBondContact O-CD1 3.38Å; L654-L658 WeakPolarHBondContact O-CG 3.48Å; L654-L658 PolarHBondContact O-N 3.16Å; W655-L658 PolarHBondContact O-N 3.4Å; W655-L658 VanDerWaalsContact O-N 3.17Å; E656-L658 VanDerWaalsContact C-N 3.32Å; E656-L658 PolarHBondContact O-N 3.32Å; L658-I689 HydrophobicContact CB-CD1 4.29Å; L658-I689 HydrophobicContact CD1-CG2 4.08Å; L658-I693 HydrophobicContact CD1-CG2 3.47Å; L658-I693 VanDerWaalsContact CD1-CG2 3.47Å; L658-L697 HydrophobicContact CD1-CD1 4.33Å |
| 659 | T | 91.1 | Very high | 90.9 | Very high | 41 Ų | 41 | 28.8 Ų | 28.8 | 25% | 0.252 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -84.9 | -25.7 | -176.9 | 61.1 | 0 | 0 | 0 | 0 | 113.2 | W655 E661 I689 | W655-T659 HydrophobicContact CD2-CG2 4.01Å; W655-T659 HydrophobicContact CG-CG2 4.43Å; W655-T659 HydrophobicContact CH2-CG2 4.34Å; W655-T659 HydrophobicContact CZ2-CG2 3.79Å; W655-T659 WeakPolarHBondContact O-CG2 3.34Å; W655-T659 PolarHBondContact O-N 3.34Å; W655-T659 PolarHBondContact O-OG1 2.86Å; T659-E661 PolarHBondContact O-N 3.14Å; T659-E661 PolarHBondContact OG1-N 2.92Å; T659-E661 VanDerWaalsContact OG1-N 3.12Å; T659-I689 HydrophobicContact CG2-CD1 4.07Å |
| 660 | G | 90.4 | Very high | 90.1 | Very high | 32 Ų | 32 | 30.8 Ų | 30.8 | 33% | 0.33 | 18% | 0.18 | S | C | . | . | trans | 68.3 | 16.9 | -167.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | H551 E656 | H551-G660 PolarHBondContact CE1-O 2.87Å; E656-G660 VanDerWaalsContact O-CA 3.26Å; E656-G660 WeakPolarHBondContact O-CA 3.44Å; E656-G660 PolarHBondContact O-N 3.47Å | ||
| 661 | E | 90.4 | Very high | 89.2 | Confident | 114 Ų | 114 | 31.5 Ų | 31.5 | 53% | 0.533 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -111.3 | 143 | -179.9 | -63 | -173.2 | 174.4 | 0 | 0 | 110.7 | W655 E656 T659 | W655-E661 HydrophobicContact CH2-CB 3.75Å; W655-E661 HydrophobicContact CZ3-CB 3.88Å; W655-E661 VanDerWaalsContact CZ3-O 3.29Å; W655-E661 WeakPolarHBondContact CZ3-O 3.46Å; E656-E661 WeakPolarHBondContact CA-O 3.44Å; E656-E661 WeakPolarHBondContact CG-O 3.24Å; T659-E661 PolarHBondContact O-N 3.14Å; T659-E661 PolarHBondContact OG1-N 2.92Å; T659-E661 VanDerWaalsContact OG1-N 3.12Å |
| 662 | I | 91.3 | Very high | 88.6 | Confident | 44 Ų | 44 | 31.4 Ų | 31.4 | 23% | 0.226 | 19% | 0.186 | C | C | . | . | trans | -69.4 | 129.8 | 173.8 | -59.6 | 172.5 | 0 | 0 | 0 | 108.6 | F547 H551 F664 A665 | F547-I662 HydrophobicContact CE2-CD1 3.89Å; F547-I662 HydrophobicContact CE2-CG1 4.28Å; F547-I662 HydrophobicContact CZ-CD1 4.16Å; H551-I662 WeakPolarHBondContact CE1-CG1 3.09Å; H551-I662 WeakPolarHBondContact NE2-CG1 3.12Å; I662-F664 PolarHBondContact O-N 3.28Å; I662-F664 VanDerWaalsContact O-N 3.12Å; I662-A665 HydrophobicContact CB-CB 3.85Å; I662-A665 HydrophobicContact CG2-CB 4.45Å; I662-A665 WeakPolarHBondContact O-CB 3.24Å; I662-A665 PolarHBondContact O-N 3.35Å | ||
| 663 | P | 88 | Confident | 88 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 120.6 | 178.3 | -24.3 | 33.3 | 0 | 0 | 0 | 110.8 | R628 L652 W655 E656 A665 P683 | R628-P663 VanDerWaalsContact CD-O 3.28Å; R628-P663 WeakPolarHBondContact CD-O 3.41Å; R628-P663 PolarHBondContact NH1-O 3.16Å; L652-P663 HydrophobicContact CB-CG 4.31Å; L652-P663 HydrophobicContact CD2-CB 4.24Å; W655-P663 HydrophobicContact CE3-CB 4.38Å; W655-P663 HydrophobicContact CE3-CG 4.09Å; W655-P663 HydrophobicContact CZ3-CB 4.45Å; W655-P663 HydrophobicContact CZ3-CG 4.38Å; E656-P663 HydrophobicContact CB-CG 4.01Å; P663-A665 VanDerWaalsContact C-N 3.28Å; P663-A665 PolarHBondContact O-N 2.8Å; P663-P683 HydrophobicContact CB-CG 4.31Å |
| 664 | F | 87.8 | Confident | 87.2 | Confident | 10 Ų | 10 | 32.4 Ų | 32.4 | 4% | 0.044 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 45.6 | -172.4 | -52.8 | -89.9 | 0 | 0 | 0 | 112.6 | R628 I662 H666 L667 A672 M676 I681 P683 | R628-F664 PolarHBondContact NH1-O 3.01Å; I662-F664 PolarHBondContact O-N 3.28Å; I662-F664 VanDerWaalsContact O-N 3.12Å; F664-H666 PolarHBondContact O-N 3.13Å; F664-L667 HydrophobicContact CB-CB 4.1Å; F664-L667 HydrophobicContact CB-CD1 4.01Å; F664-L667 HydrophobicContact CB-CG 4.17Å; F664-L667 HydrophobicContact CD1-CD1 3.87Å; F664-L667 HydrophobicContact CG-CD1 4.25Å; F664-L667 PolarHBondContact O-N 3.16Å; F664-A672 HydrophobicContact CB-CB 3.73Å; F664-A672 HydrophobicContact CD2-CB 4.02Å; F664-A672 HydrophobicContact CG-CB 4Å; F664-M676 HydrophobicContact CD2-SD 4.34Å; F664-M676 HydrophobicContact CE2-CE 4.36Å; F664-M676 HydrophobicContact CE2-CG 3.52Å; F664-M676 HydrophobicContact CE2-SD 3.47Å; F664-M676 WeakPolarHBondContact CE2-SD 3.4Å; F664-M676 HydrophobicContact CZ-CG 3.57Å; F664-M676 HydrophobicContact CZ-SD 4.12Å; F664-I681 HydrophobicContact CE1-CB 4.38Å; F664-I681 HydrophobicContact CE1-CG2 3.81Å; F664-I681 HydrophobicContact CZ-CG2 4.4Å; F664-P683 HydrophobicContact CD2-CG 4.13Å; F664-P683 VanDerWaalsContact CE2-CD 3.43Å; F664-P683 HydrophobicContact CE2-CG 3.61Å; F664-P683 VanDerWaalsContact CZ-CD 3.46Å; F664-P683 HydrophobicContact CZ-CG 4.03Å |
| 665 | A | 82.9 | Confident | 86.6 | Confident | 63 Ų | 63 | 34 Ų | 34 | 52% | 0.521 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46.9 | -34.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | I662 P663 L667 | I662-A665 HydrophobicContact CB-CB 3.85Å; I662-A665 HydrophobicContact CG2-CB 4.45Å; I662-A665 WeakPolarHBondContact O-CB 3.24Å; I662-A665 PolarHBondContact O-N 3.35Å; P663-A665 VanDerWaalsContact C-N 3.28Å; P663-A665 PolarHBondContact O-N 2.8Å; A665-L667 VanDerWaalsContact C-N 3.31Å; A665-L667 PolarHBondContact O-N 3.02Å |
| 666 | H | 80.7 | Confident | 86.2 | Confident | 97 Ų | 97 | 33.7 Ų | 33.7 | 45% | 0.449 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -24.8 | 178 | 59.8 | -78.8 | 0 | 0 | 0 | 113.7 | F664 S764 | F664-H666 PolarHBondContact O-N 3.13Å; H666-S764 VanDerWaalsContact O-CB 3.3Å; H666-S764 WeakPolarHBondContact O-CB 3.27Å |
| 667 | L | 76.1 | Confident | 85.7 | Confident | 16 Ų | 16 | 34.1 Ų | 34.1 | 8% | 0.084 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -97.6 | 148.7 | -179.9 | -57.1 | 179.8 | 0 | 0 | 0 | 111.4 | R628 F664 A665 A671 A672 D675 | R628-L667 PolarHBondContact NH1-O 3.14Å; R628-L667 PolarHBondContact NH2-O 3.5Å; F664-L667 HydrophobicContact CB-CB 4.1Å; F664-L667 HydrophobicContact CB-CD1 4.01Å; F664-L667 HydrophobicContact CB-CG 4.17Å; F664-L667 HydrophobicContact CD1-CD1 3.87Å; F664-L667 HydrophobicContact CG-CD1 4.25Å; F664-L667 PolarHBondContact O-N 3.16Å; A665-L667 VanDerWaalsContact C-N 3.31Å; A665-L667 PolarHBondContact O-N 3.02Å; L667-A671 HydrophobicContact CB-CB 4.18Å; L667-A672 HydrophobicContact CB-CB 4.18Å; L667-A672 HydrophobicContact CD1-CB 4.44Å; L667-D675 HydrophobicContact CD1-CB 4.29Å; L667-D675 WeakPolarHBondContact CD1-OD2 3.23Å |
| 668 | K | 83.4 | Confident | 85 | Confident | 88 Ų | 88 | 40.7 Ų | 40.7 | 38% | 0.383 | 23% | 0.23 | S | C | . | . | trans | -64.7 | 152.9 | 162.9 | -72.3 | -170.4 | 172 | -161.1 | 0 | 110.2 | A670 A671 A672 | K668-A670 VanDerWaalsContact C-N 3.31Å; K668-A670 PolarHBondContact O-N 3.13Å; K668-A670 VanDerWaalsContact O-N 3.16Å; K668-A671 WeakPolarHBondContact O-CB 3.2Å; K668-A671 PolarHBondContact O-N 3.06Å; K668-A672 PolarHBondContact O-N 2.98Å | ||
| 669 | P | 82 | Confident | 84.5 | Confident | 47 Ų | 47 | 45.8 Ų | 45.8 | 31% | 0.305 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -49.7 | -44.6 | -178.6 | -31.2 | 37.2 | 0 | 0 | 0 | 115 | L627 R628 A671 A672 A673 | L627-P669 CarbonylContact C-O 3.49Å; L627-P669 HydrophobicContact CB-CB 3.91Å; R628-P669 HydrophobicContact CB-CB 3.9Å; R628-P669 HydrophobicContact CB-CG 4.34Å; P669-A671 VanDerWaalsContact C-N 3.34Å; P669-A671 PolarHBondContact O-N 3.09Å; P669-A672 PolarHBondContact O-N 2.91Å; P669-A673 PolarHBondContact O-N 2.98Å |
| 670 | A | 80.4 | Confident | 84.2 | Confident | 50 Ų | 50 | 49.4 Ų | 49.4 | 41% | 0.413 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.8 | -33.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L627 K668 A674 | L627-A670 HydrophobicContact CD1-CB 3.68Å; K668-A670 VanDerWaalsContact C-N 3.31Å; K668-A670 PolarHBondContact O-N 3.13Å; K668-A670 VanDerWaalsContact O-N 3.16Å; A670-A674 WeakPolarHBondContact O-CB 3.34Å; A670-A674 PolarHBondContact O-N 3.18Å; A670-A674 VanDerWaalsContact O-N 3.07Å |
| 671 | A | 79.2 | Confident | 84.1 | Confident | 20 Ų | 20 | 51.6 Ų | 51.6 | 17% | 0.165 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -75.9 | -40.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111 | L667 K668 P669 A673 A674 D675 A760 | L667-A671 HydrophobicContact CB-CB 4.18Å; K668-A671 WeakPolarHBondContact O-CB 3.2Å; K668-A671 PolarHBondContact O-N 3.06Å; P669-A671 VanDerWaalsContact C-N 3.34Å; P669-A671 PolarHBondContact O-N 3.09Å; A671-A673 VanDerWaalsContact C-N 3.3Å; A671-A673 PolarHBondContact O-N 3.26Å; A671-A674 PolarHBondContact O-N 3.1Å; A671-D675 PolarHBondContact O-N 3.33Å; A671-A760 HydrophobicContact CB-CB 4.36Å |
| 672 | A | 84 | Confident | 84.1 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.4 | -44.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | R628 F664 L667 K668 P669 A674 D675 M676 | R628-A672 HydrophobicContact CG-CB 4.45Å; F664-A672 HydrophobicContact CB-CB 3.73Å; F664-A672 HydrophobicContact CD2-CB 4.02Å; F664-A672 HydrophobicContact CG-CB 4Å; L667-A672 HydrophobicContact CB-CB 4.18Å; L667-A672 HydrophobicContact CD1-CB 4.44Å; K668-A672 PolarHBondContact O-N 2.98Å; P669-A672 PolarHBondContact O-N 2.91Å; A672-A674 PolarHBondContact O-N 3.03Å; A672-D675 PolarHBondContact O-N 3.08Å; A672-M676 WeakPolarHBondContact O-CE 3.48Å; A672-M676 VanDerWaalsContact O-CG 3.31Å; A672-M676 WeakPolarHBondContact O-CG 3.35Å; A672-M676 PolarHBondContact O-N 3.39Å |
| 673 | A | 84.7 | Confident | 84.2 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58 | -48.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | L627 F635 P669 A671 M676 A677 | L627-A673 HydrophobicContact CB-CB 4.3Å; L627-A673 VanDerWaalsContact O-CB 3.28Å; L627-A673 WeakPolarHBondContact O-CB 3.35Å; F635-A673 HydrophobicContact CD2-CB 3.69Å; F635-A673 HydrophobicContact CE2-CB 3.8Å; F635-A673 HydrophobicContact CG-CB 4.2Å; F635-A673 HydrophobicContact CZ-CB 4.38Å; P669-A673 PolarHBondContact O-N 2.98Å; A671-A673 VanDerWaalsContact C-N 3.3Å; A671-A673 PolarHBondContact O-N 3.26Å; A673-M676 PolarHBondContact O-N 3.27Å; A673-A677 WeakPolarHBondContact O-CB 3.37Å; A673-A677 PolarHBondContact O-N 3.43Å |
| 674 | A | 81.4 | Confident | 84.2 | Confident | 24 Ų | 24 | 51.1 Ų | 51.1 | 20% | 0.198 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.3 | -41.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F635 A670 A671 A672 A677 Y678 | F635-A674 HydrophobicContact CE1-CB 3.92Å; F635-A674 HydrophobicContact CZ-CB 4Å; A670-A674 WeakPolarHBondContact O-CB 3.34Å; A670-A674 PolarHBondContact O-N 3.18Å; A670-A674 VanDerWaalsContact O-N 3.07Å; A671-A674 PolarHBondContact O-N 3.1Å; A672-A674 PolarHBondContact O-N 3.03Å; A674-A677 PolarHBondContact O-N 2.93Å; A674-Y678 HydrophobicContact CB-CD2 4.3Å; A674-Y678 PolarHBondContact O-N 3.29Å |
| 675 | D | 84.3 | Confident | 84.2 | Confident | 38 Ų | 38 | 53.2 Ų | 53.2 | 20% | 0.203 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.3 | -41.3 | 178 | -82.4 | 10.3 | 0 | 0 | 0 | 112 | L667 A671 A672 A677 H679 H680 I681 | L667-D675 HydrophobicContact CD1-CB 4.29Å; L667-D675 WeakPolarHBondContact CD1-OD2 3.23Å; A671-D675 PolarHBondContact O-N 3.33Å; A672-D675 PolarHBondContact O-N 3.08Å; D675-A677 VanDerWaalsContact C-N 3.27Å; D675-A677 PolarHBondContact O-N 3.24Å; D675-H679 CarbonylContact O-C 3.52Å; D675-H679 WeakPolarHBondContact O-CA 3.47Å; D675-H679 WeakPolarHBondContact O-CB 3.46Å; D675-H679 PolarHBondContact O-N 3.38Å; D675-H679 VanDerWaalsContact O-N 3.13Å; D675-H679 IonicContact OD1-CD2 2.7Å; D675-H679 PolarHBondContact OD1-CD2 2.97Å; D675-H680 PolarHBondContact O-N 3.41Å; D675-I681 HydrophobicContact CB-CB 4.45Å; D675-I681 HydrophobicContact CB-CD1 4.26Å; D675-I681 PolarHBondContact O-N 3.12Å; D675-I681 VanDerWaalsContact O-N 3.16Å |
| 676 | M | 88.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.8 | -35.3 | 173.9 | -70.4 | -171.8 | -67.7 | 0 | 0 | 112.1 | R628 P632 F648 L652 F664 A672 A673 I681 R682 | R628-M676 VanDerWaalsContact O-CE 3.28Å; R628-M676 WeakPolarHBondContact O-CE 3.33Å; P632-M676 HydrophobicContact CG-CB 4.35Å; F648-M676 HydrophobicContact CE1-CE 4.1Å; F648-M676 HydrophobicContact CE1-SD 3.61Å; F648-M676 HydrophobicContact CZ-CB 4.37Å; F648-M676 HydrophobicContact CZ-CG 4.45Å; F648-M676 HydrophobicContact CZ-SD 3.58Å; F648-M676 VanDerWaalsContact CZ-SD 3.58Å; L652-M676 HydrophobicContact CD1-CE 4.03Å; L652-M676 HydrophobicContact CD1-SD 3.82Å; L652-M676 HydrophobicContact CD2-SD 4.23Å; F664-M676 HydrophobicContact CD2-SD 4.34Å; F664-M676 HydrophobicContact CE2-CE 4.36Å; F664-M676 HydrophobicContact CE2-CG 3.52Å; F664-M676 HydrophobicContact CE2-SD 3.47Å; F664-M676 WeakPolarHBondContact CE2-SD 3.4Å; F664-M676 HydrophobicContact CZ-CG 3.57Å; F664-M676 HydrophobicContact CZ-SD 4.12Å; A672-M676 WeakPolarHBondContact O-CE 3.48Å; A672-M676 VanDerWaalsContact O-CG 3.31Å; A672-M676 WeakPolarHBondContact O-CG 3.35Å; A672-M676 PolarHBondContact O-N 3.39Å; A673-M676 PolarHBondContact O-N 3.27Å; M676-I681 WeakPolarHBondContact CG-O 3.38Å; M676-R682 PolarHBondContact O-NH1 3.42Å |
| 677 | A | 83.9 | Confident | 83.7 | Confident | 8 Ų | 8 | 59.1 Ų | 59.1 | 7% | 0.066 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -79.2 | -52.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | P632 F635 T636 A673 A674 D675 | P632-A677 HydrophobicContact CB-CB 4.33Å; F635-A677 HydrophobicContact CB-CB 4.36Å; F635-A677 HydrophobicContact CD1-CB 3.63Å; F635-A677 HydrophobicContact CE1-CB 4.37Å; F635-A677 HydrophobicContact CG-CB 4.35Å; T636-A677 HydrophobicContact CG2-CB 3.77Å; A673-A677 WeakPolarHBondContact O-CB 3.37Å; A673-A677 PolarHBondContact O-N 3.43Å; A674-A677 PolarHBondContact O-N 2.93Å; D675-A677 VanDerWaalsContact C-N 3.27Å; D675-A677 PolarHBondContact O-N 3.24Å |
| 678 | Y | 81.4 | Confident | 83.8 | Confident | 143 Ų | 143 | 63.6 Ų | 63.6 | 56% | 0.561 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -101.4 | -25.7 | -171.1 | -62 | -58.2 | 0 | 0 | 0 | 113.4 | F635 T636 A674 | F635-Y678 HydrophobicContact CD1-CE2 4.1Å; F635-Y678 HydrophobicContact CE1-CD2 4.25Å; F635-Y678 AromaticContact CE1-CE2 3.56Å; F635-Y678 HydrophobicContact CE1-CE2 3.56Å; T636-Y678 HydrophobicContact CG2-CD1 4.12Å; T636-Y678 HydrophobicContact CG2-CE1 3.53Å; A674-Y678 HydrophobicContact CB-CD2 4.3Å; A674-Y678 PolarHBondContact O-N 3.29Å |
| 679 | H | 81.7 | Confident | 83.9 | Confident | 126 Ų | 126 | 60 Ų | 60 | 58% | 0.583 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -107 | -2.6 | 180 | -59.9 | -55 | 0 | 0 | 0 | 112.8 | D675 I681 | D675-H679 CarbonylContact O-C 3.52Å; D675-H679 WeakPolarHBondContact O-CA 3.47Å; D675-H679 WeakPolarHBondContact O-CB 3.46Å; D675-H679 PolarHBondContact O-N 3.38Å; D675-H679 VanDerWaalsContact O-N 3.13Å; D675-H679 IonicContact OD1-CD2 2.7Å; D675-H679 PolarHBondContact OD1-CD2 2.97Å; H679-I681 HydrophobicContact CB-CD1 3.86Å; H679-I681 HydrophobicContact CB-CG1 3.78Å; H679-I681 PolarHBondContact O-N 3.15Å; H679-I681 VanDerWaalsContact O-N 3.08Å |
| 680 | H | 85.6 | Confident | 84.1 | Confident | 117 Ų | 117 | 58.7 Ų | 58.7 | 54% | 0.542 | 31% | 0.312 | S | S | . | . | trans | 53.3 | 25.7 | -178.7 | -56.5 | -67.8 | 0 | 0 | 0 | 114.1 | D675 S703 | D675-H680 PolarHBondContact O-N 3.41Å; H680-S703 PolarHBondContact ND1-OG 2.88Å | ||
| 681 | I | 87.8 | Confident | 84.3 | Confident | 77 Ų | 77 | 65.2 Ų | 65.2 | 40% | 0.395 | 33% | 0.331 | S | S | . | . | trans | -73.8 | 144.8 | 179.5 | -55.2 | 177 | 0 | 0 | 0 | 108.8 | F664 D675 M676 H679 | F664-I681 HydrophobicContact CE1-CB 4.38Å; F664-I681 HydrophobicContact CE1-CG2 3.81Å; F664-I681 HydrophobicContact CZ-CG2 4.4Å; D675-I681 HydrophobicContact CB-CB 4.45Å; D675-I681 HydrophobicContact CB-CD1 4.26Å; D675-I681 PolarHBondContact O-N 3.12Å; D675-I681 VanDerWaalsContact O-N 3.16Å; M676-I681 WeakPolarHBondContact CG-O 3.38Å; H679-I681 HydrophobicContact CB-CD1 3.86Å; H679-I681 HydrophobicContact CB-CG1 3.78Å; H679-I681 PolarHBondContact O-N 3.15Å; H679-I681 VanDerWaalsContact O-N 3.08Å | ||
| 682 | R | 91.6 | Very high | 84.8 | Confident | 42 Ų | 42 | 67.5 Ų | 67.5 | 16% | 0.158 | 34% | 0.344 | C | S | . | . | trans | -130.2 | 153.7 | 173.4 | -62.6 | -63.1 | -178.5 | -89.1 | -3.3 | 110.3 | M676 W701 S703 | M676-R682 PolarHBondContact O-NH1 3.42Å; R682-W701 HydrophobicContact CB-CD2 4.05Å; R682-W701 HydrophobicContact CB-CE3 4.31Å; R682-W701 HydrophobicContact CB-CH2 4.04Å; R682-W701 HydrophobicContact CB-CZ2 3.71Å; R682-W701 HydrophobicContact CB-CZ3 4.33Å; R682-W701 HydrophobicContact CG-CD2 3.96Å; R682-W701 HydrophobicContact CG-CG 4.14Å; R682-W701 HydrophobicContact CG-CZ2 4.35Å; R682-W701 PolarHBondContact NE-O 2.94Å; R682-W701 PolarHBondContact NH2-O 3.04Å; R682-S703 PolarHBondContact NH2-OG 3.01Å | ||
| 683 | P | 91.6 | Very high | 85.1 | Confident | 5 Ų | 5 | 67.5 Ų | 67.5 | 3% | 0.032 | 34% | 0.344 | C | S | . | . | trans | -52.1 | 141.8 | 171.2 | -26.3 | 33.5 | 0 | 0 | 0 | 112.2 | L652 W655 P663 F664 I685 W701 | L652-P683 HydrophobicContact CD2-CG 3.76Å; W655-P683 HydrophobicContact CD2-CB 3.55Å; W655-P683 HydrophobicContact CD2-CG 4.27Å; W655-P683 HydrophobicContact CE3-CB 3.97Å; W655-P683 HydrophobicContact CE3-CG 4.4Å; W655-P683 HydrophobicContact CG-CB 4.07Å; W655-P683 HydrophobicContact CH2-CB 4.01Å; W655-P683 HydrophobicContact CZ2-CB 3.58Å; W655-P683 HydrophobicContact CZ3-CB 4.18Å; P663-P683 HydrophobicContact CB-CG 4.31Å; F664-P683 HydrophobicContact CD2-CG 4.13Å; F664-P683 VanDerWaalsContact CE2-CD 3.43Å; F664-P683 HydrophobicContact CE2-CG 3.61Å; F664-P683 VanDerWaalsContact CZ-CD 3.46Å; F664-P683 HydrophobicContact CZ-CG 4.03Å; P683-I685 PolarHBondContact O-N 3.06Å; P683-W701 HydrophobicContact CB-CH2 3.99Å; P683-W701 HydrophobicContact CB-CZ3 3.87Å; P683-W701 HydrophobicContact CG-CE3 4.46Å; P683-W701 HydrophobicContact CG-CH2 4.24Å; P683-W701 HydrophobicContact CG-CZ3 3.66Å; P683-W701 WeakPolarHBondContact O-CH2 3.46Å | ||
| 684 | P | 88.4 | Confident | 85.5 | Confident | 101 Ų | 101 | 68.5 Ų | 68.5 | 66% | 0.656 | 35% | 0.351 | S | S | * | . | trans | -68.5 | 131.6 | -178.9 | 27.4 | -33.4 | 0 | 0 | 0 | 110.9 | W655 G686 | W655-P684 HydrophobicContact CZ2-CG 4.41Å; W655-P684 PolarHBondContact NE1-O 3.38Å; P684-G686 PolarHBondContact O-N 3.44Å | ||
| 685 | I | 88 | Confident | 86 | Confident | 54 Ų | 54 | 70 Ų | 70 | 28% | 0.277 | 36% | 0.363 | S | S | . | . | trans | -86.8 | 108.1 | 172.8 | -60 | 179.7 | 0 | 0 | 0 | 108 | P683 I689 S694 L697 M698 W701 | P683-I685 PolarHBondContact O-N 3.06Å; I685-I689 HydrophobicContact CG2-CB 4.28Å; I685-I689 HydrophobicContact CG2-CD1 4.16Å; I685-S694 VanDerWaalsContact CG2-OG 3.24Å; I685-S694 WeakPolarHBondContact CG2-OG 3.48Å; I685-L697 HydrophobicContact CD1-CB 4.05Å; I685-L697 HydrophobicContact CD1-CD1 4.43Å; I685-L697 HydrophobicContact CG1-CD1 4.5Å; I685-M698 HydrophobicContact CD1-CG 3.73Å; I685-M698 HydrophobicContact CD1-SD 3.69Å; I685-W701 HydrophobicContact CD1-CH2 4.38Å; I685-W701 HydrophobicContact CD1-CZ2 3.8Å; I685-W701 HydrophobicContact CG1-CH2 4.04Å; I685-W701 HydrophobicContact CG1-CZ2 3.89Å | ||
| 686 | G | 76.8 | Confident | 86.5 | Confident | 33 Ų | 33 | 68.8 Ų | 68.8 | 34% | 0.34 | 36% | 0.357 | S | S | . | . | trans | -72.6 | 156.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | P684 S688 I689 | P684-G686 PolarHBondContact O-N 3.44Å; G686-S688 PolarHBondContact O-N 3.26Å; G686-I689 PolarHBondContact O-N 3Å; G686-I689 VanDerWaalsContact O-N 3.13Å | ||
| 687 | Y | 75.8 | Confident | 86.9 | Confident | 251 Ų | 251 | 68.8 Ų | 68.8 | 98% | 0.984 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -14.3 | 177.4 | -61.4 | -78.5 | 0 | 0 | 0 | 114.4 | I689 | Y687-I689 VanDerWaalsContact C-N 3.31Š|
| 688 | S | 78.8 | Confident | 87.3 | Confident | 110 Ų | 110 | 73.8 Ų | 73.8 | 77% | 0.769 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -13.2 | 177.1 | 51.2 | 0 | 0 | 0 | 0 | 113.9 | G686 | G686-S688 PolarHBondContact O-N 3.26Š|
| 689 | I | 86.5 | Confident | 88 | Confident | 13 Ų | 13 | 71.6 Ų | 71.6 | 7% | 0.067 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -88.4 | 124.9 | -179.4 | -55.8 | -177.7 | 0 | 0 | 0 | 109.8 | L658 T659 I685 G686 Y687 I693 S694 L697 | L658-I689 HydrophobicContact CB-CD1 4.29Å; L658-I689 HydrophobicContact CD1-CG2 4.08Å; T659-I689 HydrophobicContact CG2-CD1 4.07Å; I685-I689 HydrophobicContact CG2-CB 4.28Å; I685-I689 HydrophobicContact CG2-CD1 4.16Å; G686-I689 PolarHBondContact O-N 3Å; G686-I689 VanDerWaalsContact O-N 3.13Å; Y687-I689 VanDerWaalsContact C-N 3.31Å; I689-I693 HydrophobicContact CG2-CB 4.07Å; I689-I693 HydrophobicContact CG2-CG2 3.99Å; I689-S694 WeakPolarHBondContact CG2-OG 3.34Å; I689-S694 PolarHBondContact O-OG 3.5Å; I689-L697 HydrophobicContact CD1-CD1 4.27Å; I689-L697 HydrophobicContact CG2-CD1 4.46Å |
| 690 | P | 84.4 | Confident | 88.6 | Confident | 20 Ų | 20 | 65.7 Ų | 65.7 | 13% | 0.13 | 34% | 0.344 | C | S | . | . | trans | -54.8 | 139.5 | 178.5 | -25.9 | 33.1 | 0 | 0 | 0 | 113.3 | L559 I693 S694 M728 | L559-P690 HydrophobicContact CD2-CG 4.12Å; P690-I693 HydrophobicContact CB-CD1 4.08Å; P690-I693 HydrophobicContact CB-CG1 4.35Å; P690-I693 HydrophobicContact CG-CD1 3.93Å; P690-I693 WeakPolarHBondContact O-CB 3.5Å; P690-I693 PolarHBondContact O-N 3.46Å; P690-S694 PolarHBondContact O-N 3.15Å; P690-S694 PolarHBondContact O-OG 3.47Å; P690-M728 HydrophobicContact CB-CE 3.64Å; P690-M728 HydrophobicContact CB-SD 4.12Å | ||
| 691 | K | 86.4 | Confident | 89.1 | Confident | 186 Ų | 186 | 60.4 Ų | 60.4 | 81% | 0.809 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -52.5 | -44.1 | -173.7 | -71.3 | -178.5 | 179.4 | 177.4 | 0 | 114.7 | I693 S694 A695 | K691-I693 VanDerWaalsContact C-N 3.3Å; K691-I693 PolarHBondContact O-N 2.55Å; K691-S694 WeakPolarHBondContact O-CB 3.14Å; K691-S694 PolarHBondContact O-N 2.87Å; K691-A695 PolarHBondContact O-N 2.99Å |
| 692 | P | 88.3 | Confident | 89.3 | Confident | 68 Ų | 68 | 59.2 Ų | 59.2 | 44% | 0.442 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.9 | -39.2 | 177.3 | -27 | 38.9 | 0 | 0 | 0 | 112.9 | A695 L696 M728 | P692-A695 PolarHBondContact O-N 3.01Å; P692-L696 PolarHBondContact O-N 3.3Å; P692-M728 HydrophobicContact CB-CE 4.19Å; P692-M728 HydrophobicContact CG-CE 3.42Å; P692-M728 VanDerWaalsContact CG-CE 3.42Å |
| 693 | I | 91.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -71.5 | -38.6 | 178.1 | -55.3 | 174.2 | 0 | 0 | 0 | 110.6 | L563 L654 L658 I689 P690 K691 A695 L696 L697 | L563-I693 HydrophobicContact CD2-CD1 3.76Å; L654-I693 HydrophobicContact CD2-CG2 4.34Å; L658-I693 HydrophobicContact CD1-CG2 3.47Å; L658-I693 VanDerWaalsContact CD1-CG2 3.47Å; I689-I693 HydrophobicContact CG2-CB 4.07Å; I689-I693 HydrophobicContact CG2-CG2 3.99Å; P690-I693 HydrophobicContact CB-CD1 4.08Å; P690-I693 HydrophobicContact CB-CG1 4.35Å; P690-I693 HydrophobicContact CG-CD1 3.93Å; P690-I693 WeakPolarHBondContact O-CB 3.5Å; P690-I693 PolarHBondContact O-N 3.46Å; K691-I693 VanDerWaalsContact C-N 3.3Å; K691-I693 PolarHBondContact O-N 2.55Å; I693-A695 VanDerWaalsContact C-N 3.32Å; I693-A695 PolarHBondContact O-N 3.49Å; I693-L696 WeakPolarHBondContact O-CB 3.46Å; I693-L696 PolarHBondContact O-N 3.44Å; I693-L697 WeakPolarHBondContact O-CG 3.35Å; I693-L697 PolarHBondContact O-N 3.39Å |
| 694 | S | 92 | Very high | 89 | Confident | 22 Ų | 22 | 62 Ų | 62 | 15% | 0.154 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.3 | -40.8 | 172.7 | -65.3 | 0 | 0 | 0 | 0 | 112.1 | I685 I689 P690 K691 L697 M698 | I685-S694 VanDerWaalsContact CG2-OG 3.24Å; I685-S694 WeakPolarHBondContact CG2-OG 3.48Å; I689-S694 WeakPolarHBondContact CG2-OG 3.34Å; I689-S694 PolarHBondContact O-OG 3.5Å; P690-S694 PolarHBondContact O-N 3.15Å; P690-S694 PolarHBondContact O-OG 3.47Å; K691-S694 WeakPolarHBondContact O-CB 3.14Å; K691-S694 PolarHBondContact O-N 2.87Å; S694-L697 PolarHBondContact O-N 2.83Å; S694-M698 WeakPolarHBondContact O-CG 2.99Å; S694-M698 PolarHBondContact O-N 3.15Å; S694-M698 VanDerWaalsContact O-N 3.08Å |
| 695 | A | 92.5 | Very high | 89.1 | Confident | 55 Ų | 55 | 58.4 Ų | 58.4 | 46% | 0.455 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66 | -40 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | K691 P692 I693 M698 R699 | K691-A695 PolarHBondContact O-N 2.99Å; P692-A695 PolarHBondContact O-N 3.01Å; I693-A695 VanDerWaalsContact C-N 3.32Å; I693-A695 PolarHBondContact O-N 3.49Å; A695-M698 PolarHBondContact O-N 3.34Å; A695-R699 PolarHBondContact O-N 2.9Å; A695-R699 VanDerWaalsContact O-N 3.08Å |
| 696 | L | 95 | Very high | 89.2 | Confident | 12 Ų | 12 | 62.8 Ų | 62.8 | 6% | 0.063 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.2 | -45.4 | 174.4 | -175.7 | 67.2 | 0 | 0 | 0 | 111.8 | L654 P692 I693 M698 R699 G700 P709 V714 L718 | L654-L696 HydrophobicContact CD2-CD2 4.04Å; P692-L696 PolarHBondContact O-N 3.3Å; I693-L696 WeakPolarHBondContact O-CB 3.46Å; I693-L696 PolarHBondContact O-N 3.44Å; L696-M698 PolarHBondContact O-N 3.48Å; L696-R699 PolarHBondContact O-N 2.87Å; L696-G700 PolarHBondContact O-N 3.16Å; L696-P709 HydrophobicContact CD1-CG 4.42Å; L696-V714 HydrophobicContact CD1-CG2 4.06Å; L696-V714 HydrophobicContact CD2-CG1 4.23Å; L696-L718 HydrophobicContact CD2-CD1 4.35Å; L696-L718 HydrophobicContact CD2-CD2 3.72Å; L696-L718 HydrophobicContact CD2-CG 3.88Å |
| 697 | L | 96.1 | Very high | 90 | Very high | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.7 | -47.8 | 175.3 | -74.2 | 171.6 | 0 | 0 | 0 | 111.3 | A651 L654 W655 L658 I685 I689 I693 S694 R699 G700 W701 | A651-L697 HydrophobicContact CB-CD2 4.49Å; A651-L697 WeakPolarHBondContact O-CD2 3.07Å; L654-L697 HydrophobicContact CB-CD2 4.07Å; L654-L697 HydrophobicContact CD2-CD2 3.99Å; L654-L697 HydrophobicContact CD2-CG 4.45Å; L654-L697 HydrophobicContact CG-CD2 3.98Å; W655-L697 HydrophobicContact CB-CD1 4.46Å; W655-L697 HydrophobicContact CB-CD2 4.03Å; L658-L697 HydrophobicContact CD1-CD1 4.33Å; I685-L697 HydrophobicContact CD1-CB 4.05Å; I685-L697 HydrophobicContact CD1-CD1 4.43Å; I685-L697 HydrophobicContact CG1-CD1 4.5Å; I689-L697 HydrophobicContact CD1-CD1 4.27Å; I689-L697 HydrophobicContact CG2-CD1 4.46Å; I693-L697 WeakPolarHBondContact O-CG 3.35Å; I693-L697 PolarHBondContact O-N 3.39Å; S694-L697 PolarHBondContact O-N 2.83Å; L697-R699 VanDerWaalsContact C-N 3.28Å; L697-R699 PolarHBondContact O-N 2.82Å; L697-G700 PolarHBondContact O-N 3.4Å; L697-G700 VanDerWaalsContact O-N 3.15Å; L697-W701 VanDerWaalsContact O-CG 3.27Å; L697-W701 PolarHBondContact O-N 3.33Å; L697-W701 VanDerWaalsContact O-N 3.1Å; L697-W701 PolarHBondContact O-NE1 2.92Å |
| 698 | M | 93.5 | Very high | 91 | Very high | 112 Ų | 112 | 53.8 Ų | 53.8 | 55% | 0.552 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -58 | -38.9 | 179 | -72.2 | -60.1 | -68.7 | 0 | 0 | 113.2 | I685 S694 A695 L696 W701 | I685-M698 HydrophobicContact CD1-CG 3.73Å; I685-M698 HydrophobicContact CD1-SD 3.69Å; S694-M698 WeakPolarHBondContact O-CG 2.99Å; S694-M698 PolarHBondContact O-N 3.15Å; S694-M698 VanDerWaalsContact O-N 3.08Å; A695-M698 PolarHBondContact O-N 3.34Å; L696-M698 PolarHBondContact O-N 3.48Å; M698-W701 HydrophobicContact SD-CZ2 4.2Å |
| 699 | R | 96.3 | Very high | 91.9 | Very high | 97 Ų | 97 | 48.8 Ų | 48.8 | 37% | 0.366 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -76.9 | -39.4 | 174.7 | -69.4 | 178.2 | 59 | -151.4 | -5.6 | 112.5 | A695 L696 L697 W701 N702 E713 | A695-R699 PolarHBondContact O-N 2.9Å; A695-R699 VanDerWaalsContact O-N 3.08Å; L696-R699 PolarHBondContact O-N 2.87Å; L697-R699 VanDerWaalsContact C-N 3.28Å; L697-R699 PolarHBondContact O-N 2.82Å; R699-W701 VanDerWaalsContact C-N 3.34Å; R699-W701 PolarHBondContact O-N 2.93Å; R699-N702 WeakPolarHBondContact O-CB 3.3Å; R699-N702 PolarHBondContact O-N 3.48Å; R699-E713 IonicContact CZ-OE1 2.86Å; R699-E713 IonicContact CZ-OE2 3.65Å; R699-E713 IonicContact NH1-OE1 3.94Å; R699-E713 PolarHBondContact NH1-OE1 3.44Å; R699-E713 VanDerWaalsContact NH2-CD 3.27Å; R699-E713 IonicContact NH2-OE1 3.79Å; R699-E713 PolarHBondContact NH2-OE1 2.66Å; R699-E713 IonicContact NH2-OE2 2.89Å; R699-E713 PolarHBondContact NH2-OE2 3.13Å |
| 700 | G | 94.3 | Very high | 92.3 | Very high | 2 Ų | 2 | 52 Ų | 52 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.9 | -36.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L696 L697 R708 | L696-G700 PolarHBondContact O-N 3.16Å; L697-G700 PolarHBondContact O-N 3.4Å; L697-G700 VanDerWaalsContact O-N 3.15Å; G700-R708 VanDerWaalsContact O-CD 3.31Å; G700-R708 WeakPolarHBondContact O-CD 3.39Å |
| 701 | W | 94.6 | Very high | 92.9 | Very high | 6 Ų | 6 | 51.2 Ų | 51.2 | 2% | 0.023 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 26.3 | 177.9 | 64.1 | 17 | 0 | 0 | 0 | 114.2 | F648 A651 L652 W655 R682 P683 I685 L697 M698 R699 S703 | F648-W701 VanDerWaalsContact CD2-CA 3.48Å; F648-W701 HydrophobicContact CD2-CB 3.77Å; F648-W701 HydrophobicContact CE2-CB 3.59Å; F648-W701 WeakPolarHBondContact CE2-O 3.49Å; F648-W701 HydrophobicContact CZ-CB 4.21Å; A651-W701 HydrophobicContact CB-CB 4.21Å; L652-W701 HydrophobicContact CD2-CE3 3.82Å; L652-W701 HydrophobicContact CD2-CZ3 4.1Å; W655-W701 HydrophobicContact CB-CZ3 4.31Å; W655-W701 AromaticContact CD1-CH2 3.94Å; W655-W701 HydrophobicContact CG-CH2 4.47Å; W655-W701 HydrophobicContact CG-CZ3 4.24Å; R682-W701 HydrophobicContact CB-CD2 4.05Å; R682-W701 HydrophobicContact CB-CE3 4.31Å; R682-W701 HydrophobicContact CB-CH2 4.04Å; R682-W701 HydrophobicContact CB-CZ2 3.71Å; R682-W701 HydrophobicContact CB-CZ3 4.33Å; R682-W701 HydrophobicContact CG-CD2 3.96Å; R682-W701 HydrophobicContact CG-CG 4.14Å; R682-W701 HydrophobicContact CG-CZ2 4.35Å; R682-W701 PolarHBondContact NE-O 2.94Å; R682-W701 PolarHBondContact NH2-O 3.04Å; P683-W701 HydrophobicContact CB-CH2 3.99Å; P683-W701 HydrophobicContact CB-CZ3 3.87Å; P683-W701 HydrophobicContact CG-CE3 4.46Å; P683-W701 HydrophobicContact CG-CH2 4.24Å; P683-W701 HydrophobicContact CG-CZ3 3.66Å; P683-W701 WeakPolarHBondContact O-CH2 3.46Å; I685-W701 HydrophobicContact CD1-CH2 4.38Å; I685-W701 HydrophobicContact CD1-CZ2 3.8Å; I685-W701 HydrophobicContact CG1-CH2 4.04Å; I685-W701 HydrophobicContact CG1-CZ2 3.89Å; L697-W701 VanDerWaalsContact O-CG 3.27Å; L697-W701 PolarHBondContact O-N 3.33Å; L697-W701 VanDerWaalsContact O-N 3.1Å; L697-W701 PolarHBondContact O-NE1 2.92Å; M698-W701 HydrophobicContact SD-CZ2 4.2Å; R699-W701 VanDerWaalsContact C-N 3.34Å; R699-W701 PolarHBondContact O-N 2.93Å; W701-S703 PolarHBondContact O-N 3.04Å |
| 702 | N | 93.7 | Very high | 93.3 | Very high | 52 Ų | 52 | 44.9 Ų | 44.9 | 28% | 0.278 | 25% | 0.249 | S | C | . | . | trans | -55.7 | 140.7 | 179.6 | -167.4 | -37.3 | 0 | 0 | 0 | 110.8 | R699 C704 D707 R708 | R699-N702 WeakPolarHBondContact O-CB 3.3Å; R699-N702 PolarHBondContact O-N 3.48Å; N702-C704 PolarHBondContact O-N 3.22Å; N702-C704 PolarHBondContact OD1-N 3.37Å; N702-D707 HydrophobicContact CB-CB 4.37Å; N702-D707 VanDerWaalsContact ND2-CB 3.31Å; N702-D707 WeakPolarHBondContact ND2-CB 3.49Å; N702-R708 HydrophobicContact CB-CG 4.04Å; N702-R708 PolarHBondContact O-NE 3.49Å; N702-R708 PolarHBondContact O-NH2 3.09Å | ||
| 703 | S | 86.8 | Confident | 93.6 | Very high | 55 Ų | 55 | 45 Ų | 45 | 39% | 0.385 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -61 | -32.1 | 176.2 | -65.2 | 0 | 0 | 0 | 0 | 112.5 | H680 R682 W701 | H680-S703 PolarHBondContact ND1-OG 2.88Å; R682-S703 PolarHBondContact NH2-OG 3.01Å; W701-S703 PolarHBondContact O-N 3.04Å |
| 704 | C | 89.2 | Confident | 93.9 | Very high | 50 Ų | 50 | 45 Ų | 45 | 34% | 0.338 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -86.5 | 119.4 | 170.8 | -174.5 | 0 | 0 | 0 | 0 | 109.7 | N702 E706 D707 | N702-C704 PolarHBondContact O-N 3.22Å; N702-C704 PolarHBondContact OD1-N 3.37Å; C704-E706 VanDerWaalsContact C-N 3.31Å; C704-E706 PolarHBondContact O-N 3.4Å; C704-D707 HydrophobicContact CB-CB 4.2Å; C704-D707 WeakPolarHBondContact CB-OD2 3.36Å; C704-D707 PolarHBondContact O-N 3.15Å |
| 705 | P | 91.1 | Very high | 94.1 | Very high | 27 Ų | 27 | 44.3 Ų | 44.3 | 18% | 0.175 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -61.3 | -36.6 | -179.4 | -25.1 | 35.5 | 0 | 0 | 0 | 113.8 | E633 K644 D707 R708 | E633-P705 HydrophobicContact CB-CG 4.17Å; E633-P705 HydrophobicContact CG-CG 3.81Å; K644-P705 HydrophobicContact CB-CB 3.92Å; K644-P705 WeakPolarHBondContact CD-O 3.32Å; K644-P705 HydrophobicContact CG-CB 4.42Å; K644-P705 VanDerWaalsContact CG-O 3.31Å; K644-P705 WeakPolarHBondContact CG-O 3.31Å; P705-D707 VanDerWaalsContact C-N 3.26Å; P705-D707 PolarHBondContact O-N 3.04Å; P705-R708 WeakPolarHBondContact O-CB 3.34Å; P705-R708 WeakPolarHBondContact O-CG 3.5Å; P705-R708 PolarHBondContact O-N 3.44Å |
| 706 | E | 90.5 | Very high | 94.3 | Very high | 145 Ų | 145 | 45.1 Ų | 45.1 | 68% | 0.678 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -67.5 | -26.5 | -177.6 | -57.7 | -51.9 | 141.9 | 0 | 0 | 113 | C704 R708 | C704-E706 VanDerWaalsContact C-N 3.31Å; C704-E706 PolarHBondContact O-N 3.4Å; E706-R708 VanDerWaalsContact C-N 3.25Å; E706-R708 PolarHBondContact O-N 3.15Å |
| 707 | D | 93.6 | Very high | 94.2 | Very high | 93 Ų | 93 | 47.1 Ų | 47.1 | 50% | 0.497 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -81.9 | -4 | 179.1 | -65.3 | -31 | 0 | 0 | 0 | 113 | N702 C704 P705 | N702-D707 HydrophobicContact CB-CB 4.37Å; N702-D707 VanDerWaalsContact ND2-CB 3.31Å; N702-D707 WeakPolarHBondContact ND2-CB 3.49Å; C704-D707 HydrophobicContact CB-CB 4.2Å; C704-D707 WeakPolarHBondContact CB-OD2 3.36Å; C704-D707 PolarHBondContact O-N 3.15Å; P705-D707 VanDerWaalsContact C-N 3.26Å; P705-D707 PolarHBondContact O-N 3.04Å |
| 708 | R | 96.2 | Very high | 94.1 | Very high | 3 Ų | 3 | 47.1 Ų | 47.1 | 1% | 0.011 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -77.4 | 139.3 | 176.5 | -59.1 | 177.2 | -168.5 | 152.3 | 10 | 109.8 | E633 K644 M647 G700 N702 P705 E706 | E633-R708 IonicContact OE1-CZ 3.44Å; E633-R708 IonicContact OE1-NH1 3.88Å; E633-R708 PolarHBondContact OE1-NH1 2.84Å; E633-R708 IonicContact OE1-NH2 2.95Å; E633-R708 PolarHBondContact OE1-NH2 2.88Å; E633-R708 IonicContact OE2-CZ 2.64Å; E633-R708 IonicContact OE2-NH1 3.78Å; E633-R708 PolarHBondContact OE2-NH1 2.69Å; E633-R708 IonicContact OE2-NH2 2.99Å; E633-R708 PolarHBondContact OE2-NH2 3.18Å; K644-R708 HydrophobicContact CD-CB 4.33Å; K644-R708 PolarHBondContact NZ-O 2.81Å; K644-R708 WeakPolarHBondContact O-CD 3.32Å; K644-R708 PolarHBondContact O-NH1 2.91Å; M647-R708 HydrophobicContact CG-CB 4.37Å; G700-R708 VanDerWaalsContact O-CD 3.31Å; G700-R708 WeakPolarHBondContact O-CD 3.39Å; N702-R708 HydrophobicContact CB-CG 4.04Å; N702-R708 PolarHBondContact O-NE 3.49Å; N702-R708 PolarHBondContact O-NH2 3.09Å; P705-R708 WeakPolarHBondContact O-CB 3.34Å; P705-R708 WeakPolarHBondContact O-CG 3.5Å; P705-R708 PolarHBondContact O-N 3.44Å; E706-R708 VanDerWaalsContact C-N 3.25Å; E706-R708 PolarHBondContact O-N 3.15Å |
| 709 | P | 96.5 | Very high | 94.1 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -64.2 | 159.9 | -178.8 | 29.3 | -35.3 | 0 | 0 | 0 | 111.6 | M647 L696 E713 V714 | M647-P709 WeakPolarHBondContact CG-O 3.38Å; L696-P709 HydrophobicContact CD1-CG 4.42Å; P709-E713 HydrophobicContact CB-CB 4.41Å; P709-E713 WeakPolarHBondContact CB-OE2 3.33Å; P709-V714 HydrophobicContact CB-CG2 4.12Å; P709-V714 HydrophobicContact CG-CG2 3.83Å |
| 710 | E | 95.2 | Very high | 93.9 | Very high | 81 Ų | 81 | 46.4 Ų | 46.4 | 38% | 0.379 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -79.7 | 154.7 | 165.4 | -67.5 | -59.3 | 151.5 | 0 | 0 | 110.5 | K644 S712 E713 V714 | K644-E710 WeakPolarHBondContact CE-OE1 3.37Å; K644-E710 IonicContact NZ-OE1 3.55Å; K644-E710 PolarHBondContact NZ-OE1 3.35Å; E710-S712 PolarHBondContact O-N 3.13Å; E710-E713 WeakPolarHBondContact O-CB 3.27Å; E710-E713 PolarHBondContact O-N 2.82Å; E710-E713 VanDerWaalsContact O-N 3.07Å; E710-V714 WeakPolarHBondContact O-CG2 3.44Å; E710-V714 PolarHBondContact O-N 2.94Å; E710-V714 VanDerWaalsContact O-N 3.12Å |
| 711 | F | 97 | Very high | 93.7 | Very high | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.3 | -29.7 | 179.8 | -82.4 | -78.3 | 0 | 0 | 0 | 113.4 | A570 M573 E574 H577 D646 M647 Y650 E713 V714 V715 | A570-F711 HydrophobicContact CB-CD1 4.08Å; M573-F711 HydrophobicContact CB-CD1 3.73Å; M573-F711 HydrophobicContact CB-CD2 3.81Å; M573-F711 HydrophobicContact CB-CE1 3.51Å; M573-F711 HydrophobicContact CB-CE2 3.62Å; M573-F711 HydrophobicContact CB-CG 3.87Å; M573-F711 HydrophobicContact CB-CZ 3.45Å; M573-F711 VanDerWaalsContact CB-CZ 3.45Å; M573-F711 HydrophobicContact CE-CE2 4.45Å; M573-F711 HydrophobicContact CE-CZ 4.44Å; M573-F711 HydrophobicContact CG-CE1 3.94Å; M573-F711 HydrophobicContact CG-CE2 4.35Å; M573-F711 HydrophobicContact CG-CZ 3.8Å; E574-F711 HydrophobicContact CB-CB 3.77Å; E574-F711 HydrophobicContact CG-CB 4.42Å; H577-F711 AromaticContact CE1-CD2 3.81Å; H577-F711 AromaticContact CE1-CE2 3.53Å; H577-F711 AromaticContact ND1-CD2 3.52Å; H577-F711 AromaticContact ND1-CE2 3.75Å; D646-F711 HydrophobicContact CB-CE2 4.49Å; M647-F711 HydrophobicContact CB-CE2 4.2Å; M647-F711 HydrophobicContact CB-CZ 4.41Å; M647-F711 HydrophobicContact CE-CD1 4.11Å; M647-F711 HydrophobicContact CE-CE1 3.61Å; M647-F711 HydrophobicContact CE-CZ 3.85Å; M647-F711 HydrophobicContact SD-CD1 3.71Å; M647-F711 HydrophobicContact SD-CD2 3.75Å; M647-F711 HydrophobicContact SD-CE1 3.54Å; M647-F711 VanDerWaalsContact SD-CE1 3.54Å; M647-F711 HydrophobicContact SD-CE2 3.55Å; M647-F711 VanDerWaalsContact SD-CE2 3.55Å; M647-F711 HydrophobicContact SD-CG 3.82Å; M647-F711 HydrophobicContact SD-CZ 3.46Å; M647-F711 WeakPolarHBondContact SD-CZ 3.44Å; Y650-F711 HydrophobicContact CD1-CE1 4.17Å; Y650-F711 AromaticContact CD2-CE1 3.8Å; Y650-F711 HydrophobicContact CD2-CE1 3.8Å; Y650-F711 HydrophobicContact CE2-CE1 4.38Å; Y650-F711 AromaticContact CG-CE1 3.66Å; Y650-F711 HydrophobicContact CG-CE1 3.66Å; Y650-F711 HydrophobicContact CG-CZ 4.17Å; F711-E713 VanDerWaalsContact C-N 3.31Å; F711-E713 PolarHBondContact O-N 3.03Å; F711-V714 WeakPolarHBondContact O-CB 3.43Å; F711-V714 PolarHBondContact O-N 3.29Å; F711-V715 WeakPolarHBondContact O-CG2 3.1Å; F711-V715 PolarHBondContact O-N 2.89Å |
| 712 | S | 95.4 | Very high | 93.4 | Very high | 53 Ų | 53 | 48.6 Ų | 48.6 | 37% | 0.371 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.1 | -38.3 | 174.2 | 57.4 | 0 | 0 | 0 | 0 | 112.9 | E574 E710 S716 | E574-S712 WeakPolarHBondContact OE1-CA 3.4Å; E574-S712 WeakPolarHBondContact OE1-CB 3.49Å; E710-S712 PolarHBondContact O-N 3.13Å; S712-S716 PolarHBondContact O-N 3.07Å; S712-S716 PolarHBondContact O-OG 3.48Å |
| 713 | E | 95.8 | Very high | 93 | Very high | 70 Ų | 70 | 50.9 Ų | 50.9 | 33% | 0.327 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -70.7 | -40.6 | 174.6 | -165.8 | -165.9 | 159.2 | 0 | 0 | 110.9 | R699 P709 E710 F711 S716 N717 | R699-E713 IonicContact CZ-OE1 2.86Å; R699-E713 IonicContact CZ-OE2 3.65Å; R699-E713 IonicContact NH1-OE1 3.94Å; R699-E713 PolarHBondContact NH1-OE1 3.44Å; R699-E713 VanDerWaalsContact NH2-CD 3.27Å; R699-E713 IonicContact NH2-OE1 3.79Å; R699-E713 PolarHBondContact NH2-OE1 2.66Å; R699-E713 IonicContact NH2-OE2 2.89Å; R699-E713 PolarHBondContact NH2-OE2 3.13Å; P709-E713 HydrophobicContact CB-CB 4.41Å; P709-E713 WeakPolarHBondContact CB-OE2 3.33Å; E710-E713 WeakPolarHBondContact O-CB 3.27Å; E710-E713 PolarHBondContact O-N 2.82Å; E710-E713 VanDerWaalsContact O-N 3.07Å; F711-E713 VanDerWaalsContact C-N 3.31Å; F711-E713 PolarHBondContact O-N 3.03Å; E713-S716 PolarHBondContact O-N 3.17Å; E713-N717 WeakPolarHBondContact O-CB 3.27Å; E713-N717 PolarHBondContact O-N 3.07Å; E713-N717 PolarHBondContact O-ND2 2.78Å |
| 714 | V | 96.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.7 | -47.4 | 177.2 | 174.4 | 0 | 0 | 0 | 0 | 111 | A570 M647 Y650 L696 P709 E710 F711 S716 N717 L718 | A570-V714 HydrophobicContact CB-CG1 4.04Å; M647-V714 HydrophobicContact CE-CG1 4.45Å; M647-V714 HydrophobicContact CE-CG2 3.73Å; M647-V714 HydrophobicContact SD-CG2 3.81Å; Y650-V714 HydrophobicContact CE1-CG1 3.68Å; L696-V714 HydrophobicContact CD1-CG2 4.06Å; L696-V714 HydrophobicContact CD2-CG1 4.23Å; P709-V714 HydrophobicContact CB-CG2 4.12Å; P709-V714 HydrophobicContact CG-CG2 3.83Å; E710-V714 WeakPolarHBondContact O-CG2 3.44Å; E710-V714 PolarHBondContact O-N 2.94Å; E710-V714 VanDerWaalsContact O-N 3.12Å; F711-V714 WeakPolarHBondContact O-CB 3.43Å; F711-V714 PolarHBondContact O-N 3.29Å; V714-S716 PolarHBondContact O-N 3.45Å; V714-N717 PolarHBondContact O-N 3.12Å; V714-L718 HydrophobicContact CG1-CD1 3.92Å; V714-L718 WeakPolarHBondContact O-CG 3.23Å; V714-L718 PolarHBondContact O-N 2.8Å |
| 715 | V | 96.9 | Very high | 92.2 | Very high | 9 Ų | 9 | 50.7 Ų | 50.7 | 6% | 0.055 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.2 | -50 | 177.6 | 170.9 | 0 | 0 | 0 | 0 | 110.3 | A570 K571 F711 N717 L718 E719 | A570-V715 HydrophobicContact CB-CG2 3.62Å; K571-V715 HydrophobicContact CG-CG1 4.06Å; K571-V715 HydrophobicContact CG-CG2 3.86Å; F711-V715 WeakPolarHBondContact O-CG2 3.1Å; F711-V715 PolarHBondContact O-N 2.89Å; V715-N717 PolarHBondContact O-N 3.35Å; V715-L718 PolarHBondContact O-N 3.41Å; V715-E719 HydrophobicContact CG1-CG 4.31Å; V715-E719 WeakPolarHBondContact O-CB 3.26Å; V715-E719 WeakPolarHBondContact O-CG 3.45Å; V715-E719 PolarHBondContact O-N 3.35Å |
| 716 | S | 94.9 | Very high | 90.8 | Very high | 72 Ų | 72 | 58 Ų | 58 | 50% | 0.503 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58 | -46.1 | 179.9 | -57.7 | 0 | 0 | 0 | 0 | 112.2 | S712 E713 V714 L718 E720 | S712-S716 PolarHBondContact O-N 3.07Å; S712-S716 PolarHBondContact O-OG 3.48Å; E713-S716 PolarHBondContact O-N 3.17Å; V714-S716 PolarHBondContact O-N 3.45Å; S716-L718 PolarHBondContact O-N 2.82Å; S716-E720 PolarHBondContact O-N 3.18Å; S716-E720 VanDerWaalsContact O-N 3.08Å |
| 717 | N | 93.2 | Very high | 89.2 | Confident | 53 Ų | 53 | 58.2 Ų | 58.2 | 28% | 0.283 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.9 | -40.3 | 179 | -75.9 | -42.7 | 0 | 0 | 0 | 112.6 | E713 V714 V715 C721 | E713-N717 WeakPolarHBondContact O-CB 3.27Å; E713-N717 PolarHBondContact O-N 3.07Å; E713-N717 PolarHBondContact O-ND2 2.78Å; V714-N717 PolarHBondContact O-N 3.12Å; V715-N717 PolarHBondContact O-N 3.35Å; N717-C721 PolarHBondContact O-N 3.4Å; N717-C721 PolarHBondContact O-SG 3.42Å |
| 718 | L | 94.8 | Very high | 87.4 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -74.8 | -36.3 | -179 | -69.8 | 175.4 | 0 | 0 | 0 | 112.4 | L563 A566 I567 Y650 L696 V714 V715 S716 E720 C721 L722 | L563-L718 HydrophobicContact CD2-CD2 4.01Å; A566-L718 HydrophobicContact CB-CD1 4Å; I567-L718 HydrophobicContact CD1-CB 4.17Å; I567-L718 HydrophobicContact CG1-CB 3.55Å; I567-L718 HydrophobicContact CG1-CD1 4.38Å; Y650-L718 WeakPolarHBondContact OH-CD1 3.5Å; L696-L718 HydrophobicContact CD2-CD1 4.35Å; L696-L718 HydrophobicContact CD2-CD2 3.72Å; L696-L718 HydrophobicContact CD2-CG 3.88Å; V714-L718 HydrophobicContact CG1-CD1 3.92Å; V714-L718 WeakPolarHBondContact O-CG 3.23Å; V714-L718 PolarHBondContact O-N 2.8Å; V715-L718 PolarHBondContact O-N 3.41Å; S716-L718 PolarHBondContact O-N 2.82Å; L718-E720 VanDerWaalsContact C-N 3.33Å; L718-C721 WeakPolarHBondContact O-CB 3.14Å; L718-C721 PolarHBondContact O-N 2.82Å; L718-L722 WeakPolarHBondContact O-CB 3.47Å; L718-L722 PolarHBondContact O-N 3.24Å |
| 719 | E | 93.6 | Very high | 84.9 | Confident | 74 Ų | 74 | 59.9 Ų | 59.9 | 35% | 0.346 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.7 | -37.9 | 173.3 | -73.5 | -177.5 | 159.5 | 0 | 0 | 111.6 | I567 K571 V715 L722 S723 | I567-E719 HydrophobicContact CD1-CG 4.02Å; I567-E719 HydrophobicContact CG1-CG 4.38Å; I567-E719 HydrophobicContact CG2-CG 4.19Å; K571-E719 WeakPolarHBondContact CE-OE1 3.3Å; K571-E719 IonicContact NZ-OE1 3.97Å; K571-E719 PolarHBondContact NZ-OE1 3.45Å; V715-E719 HydrophobicContact CG1-CG 4.31Å; V715-E719 WeakPolarHBondContact O-CB 3.26Å; V715-E719 WeakPolarHBondContact O-CG 3.45Å; V715-E719 PolarHBondContact O-N 3.35Å; E719-L722 PolarHBondContact O-N 3.21Å; E719-S723 WeakPolarHBondContact O-CB 3.32Å; E719-S723 PolarHBondContact O-N 2.87Å; E719-S723 PolarHBondContact O-OG 2.73Å |
| 720 | E | 91.4 | Very high | 82.1 | Confident | 120 Ų | 120 | 66.4 Ų | 66.4 | 56% | 0.561 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -64.2 | -41.4 | 171.6 | -172.5 | -179.9 | 177.8 | 0 | 0 | 111.7 | S716 L718 S723 N724 | S716-E720 PolarHBondContact O-N 3.18Å; S716-E720 VanDerWaalsContact O-N 3.08Å; L718-E720 VanDerWaalsContact C-N 3.33Å; E720-S723 PolarHBondContact O-N 3.49Å; E720-N724 PolarHBondContact O-N 3.47Å; E720-N724 VanDerWaalsContact O-N 3.15Å; E720-N724 PolarHBondContact O-ND2 3.05Å |
| 721 | C | 89.5 | Confident | 78.9 | Confident | 8 Ų | 8 | 66.6 Ų | 66.6 | 5% | 0.054 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 174.6 | -68.7 | 0 | 0 | 0 | 0 | 112 | L563 N717 L718 S723 N724 I725 M728 | L563-C721 HydrophobicContact CD1-CB 4.35Å; N717-C721 PolarHBondContact O-N 3.4Å; N717-C721 PolarHBondContact O-SG 3.42Å; L718-C721 WeakPolarHBondContact O-CB 3.14Å; L718-C721 PolarHBondContact O-N 2.82Å; C721-S723 VanDerWaalsContact C-N 3.32Å; C721-S723 PolarHBondContact O-N 2.83Å; C721-N724 CarbonylContact O-C 3.52Å; C721-N724 PolarHBondContact O-N 2.76Å; C721-I725 PolarHBondContact O-N 3.17Å; C721-M728 HydrophobicContact CB-SD 4.39Å |
| 722 | L | 88.9 | Confident | 75.9 | Confident | 47 Ų | 47 | 72.1 Ų | 72.1 | 25% | 0.246 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -63.9 | -39.8 | 178 | -178.7 | 64 | 0 | 0 | 0 | 111.3 | Q560 L563 I564 I567 L718 E719 N724 I725 | Q560-L722 HydrophobicContact CG-CD1 3.7Å; L563-L722 HydrophobicContact CB-CB 4.45Å; L563-L722 HydrophobicContact CB-CD1 3.97Å; L563-L722 HydrophobicContact CD1-CB 4.24Å; L563-L722 HydrophobicContact CD1-CD1 4.23Å; I564-L722 HydrophobicContact CG1-CD1 4.47Å; I564-L722 HydrophobicContact CG1-CD2 4.2Å; I567-L722 HydrophobicContact CD1-CB 4.12Å; I567-L722 HydrophobicContact CD1-CD2 3.73Å; L718-L722 WeakPolarHBondContact O-CB 3.47Å; L718-L722 PolarHBondContact O-N 3.24Å; E719-L722 PolarHBondContact O-N 3.21Å; L722-N724 VanDerWaalsContact C-N 3.25Å; L722-N724 PolarHBondContact O-N 2.75Å; L722-I725 WeakPolarHBondContact O-CB 3.43Å; L722-I725 PolarHBondContact O-N 3.15Å |
| 723 | S | 85.7 | Confident | 72.7 | Confident | 100 Ų | 100 | 74.9 Ų | 74.9 | 70% | 0.699 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -66.7 | -26.5 | 177.6 | -57.7 | 0 | 0 | 0 | 0 | 112.9 | E719 E720 C721 | E719-S723 WeakPolarHBondContact O-CB 3.32Å; E719-S723 PolarHBondContact O-N 2.87Å; E719-S723 PolarHBondContact O-OG 2.73Å; E720-S723 PolarHBondContact O-N 3.49Å; C721-S723 VanDerWaalsContact C-N 3.32Å; C721-S723 PolarHBondContact O-N 2.83Å |
| 724 | N | 83.4 | Confident | 69.6 | Low | 67 Ų | 67 | 79.6 Ų | 79.6 | 36% | 0.358 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 17.3 | -177.6 | -69.4 | -48.6 | 0 | 0 | 0 | 113.8 | E720 C721 L722 E726 L727 | E720-N724 PolarHBondContact O-N 3.47Å; E720-N724 VanDerWaalsContact O-N 3.15Å; E720-N724 PolarHBondContact O-ND2 3.05Å; C721-N724 CarbonylContact O-C 3.52Å; C721-N724 PolarHBondContact O-N 2.76Å; L722-N724 VanDerWaalsContact C-N 3.25Å; L722-N724 PolarHBondContact O-N 2.75Å; N724-E726 VanDerWaalsContact C-N 3.28Å; N724-E726 PolarHBondContact O-N 2.73Å; N724-E726 VanDerWaalsContact O-N 3.17Å; N724-L727 PolarHBondContact O-N 2.91Å |
| 725 | I | 76.1 | Confident | 66.4 | Low | 33 Ų | 33 | 85 Ų | 85 | 17% | 0.169 | 51% | 0.508 | C | S | . | . | G | 310 helix | trans | -60 | -32.4 | -168.9 | -161 | 167.1 | 0 | 0 | 0 | 114.3 | L559 Q560 L563 C721 L722 L727 M728 | L559-I725 HydrophobicContact CB-CD1 4.31Å; L559-I725 HydrophobicContact CD2-CD1 4.48Å; L559-I725 HydrophobicContact CD2-CG1 4.29Å; L559-I725 HydrophobicContact CG-CD1 4.19Å; Q560-I725 VanDerWaalsContact CA-CD1 3.43Å; Q560-I725 HydrophobicContact CB-CD1 3.61Å; Q560-I725 HydrophobicContact CG-CD1 4.07Å; L563-I725 HydrophobicContact CD1-CD1 4.15Å; C721-I725 PolarHBondContact O-N 3.17Å; L722-I725 WeakPolarHBondContact O-CB 3.43Å; L722-I725 PolarHBondContact O-N 3.15Å; I725-L727 VanDerWaalsContact C-N 3.27Å; I725-L727 PolarHBondContact O-N 3.34Å; I725-M728 PolarHBondContact O-N 2.97Å; I725-M728 VanDerWaalsContact O-N 3.14Å |
| 726 | E | 60.8 | Low | 63.3 | Low | 181 Ų | 181 | 91 Ų | 91 | 85% | 0.846 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -65.5 | -29 | 178.2 | -65.7 | -173.7 | 168.1 | 0 | 0 | 112.7 | N724 M728 | N724-E726 VanDerWaalsContact C-N 3.28Å; N724-E726 PolarHBondContact O-N 2.73Å; N724-E726 VanDerWaalsContact O-N 3.17Å; E726-M728 VanDerWaalsContact C-N 3.33Å |
| 727 | L | 57.7 | Low | 60 | Low | 149 Ų | 149 | 91 Ų | 91 | 78% | 0.78 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -83.2 | -8.4 | 177.4 | -73.6 | 155.9 | 0 | 0 | 0 | 113 | N724 I725 | N724-L727 PolarHBondContact O-N 2.91Å; I725-L727 VanDerWaalsContact C-N 3.27Å; I725-L727 PolarHBondContact O-N 3.34Å |
| 728 | M | 56 | Low | 56.9 | Low | 48 Ų | 48 | 93.8 Ų | 93.8 | 24% | 0.236 | 59% | 0.585 | C | S | . | * | G | 310 helix | trans | -104.6 | 1.8 | -173.2 | -63.5 | -172.2 | 119.3 | 0 | 0 | 114.6 | P690 P692 C721 I725 E726 | P690-M728 HydrophobicContact CB-CE 3.64Å; P690-M728 HydrophobicContact CB-SD 4.12Å; P692-M728 HydrophobicContact CB-CE 4.19Å; P692-M728 HydrophobicContact CG-CE 3.42Å; P692-M728 VanDerWaalsContact CG-CE 3.42Å; C721-M728 HydrophobicContact CB-SD 4.39Å; I725-M728 PolarHBondContact O-N 2.97Å; I725-M728 VanDerWaalsContact O-N 3.14Å; E726-M728 VanDerWaalsContact C-N 3.33Å |
| 729 | S | 43 | Very low | 53.6 | Low | 84 Ų | 84 | 101.9 Ų | 101.9 | 59% | 0.587 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -72 | 142.5 | 174.1 | -69.6 | 0 | 0 | 0 | 0 | 111.4 | A731 | S729-A731 VanDerWaalsContact C-N 3.33Å; S729-A731 PolarHBondContact O-N 3.13Å |
| 730 | P | 37.3 | Very low | 50.3 | Low | 141 Ų | 141 | 103.1 Ų | 103.1 | 92% | 0.916 | 64% | 0.644 | S | S | * | * | trans | -76.1 | 85 | -177.3 | 29 | -29 | 0 | 0 | 0 | 110.4 | ||||
| 731 | A | 28.6 | Very low | 47.2 | Very low | 84 Ų | 84 | 103.7 Ų | 103.7 | 69% | 0.694 | 66% | 0.658 | S | S | * | * | trans | -85.8 | 128.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | S729 S733 | S729-A731 VanDerWaalsContact C-N 3.33Å; S729-A731 PolarHBondContact O-N 3.13Å; A731-S733 PolarHBondContact O-N 3.28Å | ||
| 732 | S | 34.6 | Very low | 44.1 | Very low | 121 Ų | 121 | 108.8 Ų | 108.8 | 85% | 0.846 | 69% | 0.694 | S | S | * | * | trans | -34.8 | 125.6 | 168.5 | 51.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 733 | S | 28.5 | Very low | 41.2 | Very low | 110 Ų | 110 | 112 Ų | 112 | 77% | 0.769 | 72% | 0.72 | S | S | * | * | trans | -152.8 | 110.6 | 153.6 | 53.1 | 0 | 0 | 0 | 0 | 111.4 | A731 | A731-S733 PolarHBondContact O-N 3.28Š| ||
| 734 | N | 30.6 | Very low | 38.3 | Very low | 169 Ų | 169 | 113.1 Ų | 113.1 | 90% | 0.904 | 73% | 0.728 | S | S | * | * | trans | -33 | 127.2 | 162.1 | -66.5 | -33.3 | 0 | 0 | 0 | 114.2 | ||||
| 735 | S | 27.9 | Very low | 35.6 | Very low | 115 Ų | 115 | 114.9 Ų | 114.9 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | -153.5 | 112.7 | 139.2 | 61.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 736 | S | 32.9 | Very low | 33.1 | Very low | 133 Ų | 133 | 120.5 Ų | 120.5 | 93% | 0.93 | 78% | 0.776 | S | S | * | * | trans | -53.1 | 128 | 169.6 | -10.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 737 | G | 25.4 | Very low | 31.4 | Very low | 73 Ų | 73 | 117.3 Ų | 117.3 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | trans | -162 | 82 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 738 | S | 27.5 | Very low | 29.8 | Very low | 112 Ų | 112 | 117.8 Ų | 117.8 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | -47.7 | 135.8 | 161.1 | 164.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 739 | L | 25.9 | Very low | 28.4 | Very low | 171 Ų | 171 | 123.6 Ų | 123.6 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | trans | -167.8 | 133.3 | 134.8 | -93.7 | 174 | 0 | 0 | 0 | 109.8 | ||||
| 740 | S | 25 | Very low | 27.5 | Very low | 100 Ų | 100 | 123.2 Ų | 123.2 | 70% | 0.699 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 162.3 | -171.9 | -34.7 | 0 | 0 | 0 | 0 | 114 | ||
| 741 | P | 25.9 | Very low | 27 | Very low | 131 Ų | 131 | 128.8 Ų | 128.8 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 121.4 | 175.5 | 32.9 | -27.8 | 0 | 0 | 0 | 110.6 | ||
| 742 | S | 24.4 | Very low | 26.8 | Very low | 115 Ų | 115 | 128.8 Ų | 128.8 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -103 | 122.4 | 169 | 45.2 | 0 | 0 | 0 | 0 | 110.9 | ||
| 743 | S | 28.2 | Very low | 26.4 | Very low | 115 Ų | 115 | 126.6 Ų | 126.6 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 140.5 | 166.3 | 50.5 | 0 | 0 | 0 | 0 | 114.3 | ||
| 744 | S | 24.8 | Very low | 26.7 | Very low | 124 Ų | 124 | 127.9 Ų | 127.9 | 87% | 0.867 | 83% | 0.829 | S | S | * | * | trans | -150.2 | 109.3 | 140.3 | 44.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 745 | S | 25.7 | Very low | 27 | Very low | 103 Ų | 103 | 123 Ų | 123 | 72% | 0.72 | 82% | 0.819 | S | S | * | * | trans | -85.8 | 155.4 | 159.2 | -57 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 746 | D | 24.7 | Very low | 27.4 | Very low | 151 Ų | 151 | 126.2 Ų | 126.2 | 81% | 0.807 | 81% | 0.813 | S | S | * | * | trans | 106.3 | 134.8 | 150.3 | -63.1 | -20.4 | 0 | 0 | 0 | 120.4 | ||||
| 747 | C | 24.5 | Very low | 27.6 | Very low | 115 Ų | 115 | 124.3 Ų | 124.3 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | trans | 91.4 | 122.4 | 158.7 | -58.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 748 | L | 24.6 | Very low | 27.9 | Very low | 159 Ų | 159 | 125.6 Ų | 125.6 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | cis | -163.3 | 153.9 | 16 | -102.4 | 161.1 | 0 | 0 | 0 | 113 | ||||
| 749 | L | 27.1 | Very low | 28.2 | Very low | 169 Ų | 169 | 121.2 Ų | 121.2 | 89% | 0.885 | 75% | 0.754 | S | S | * | * | trans | -53.5 | 147.1 | 167.9 | -70.9 | 139.4 | 0 | 0 | 0 | 115.2 | ||||
| 750 | G | 24.1 | Very low | 28.6 | Very low | 77 Ų | 77 | 114.7 Ų | 114.7 | 79% | 0.794 | 73% | 0.725 | S | S | * | * | trans | -161.8 | 105.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 751 | R | 25.9 | Very low | 29.1 | Very low | 257 Ų | 257 | 112.4 Ų | 112.4 | 97% | 0.97 | 71% | 0.712 | S | S | * | * | trans | -22.3 | 136 | 174.8 | -79.6 | 174.2 | 167.2 | -131.9 | -1.5 | 119.5 | ||||
| 752 | G | 25.4 | Very low | 29.8 | Very low | 85 Ų | 85 | 106.3 Ų | 106.3 | 88% | 0.876 | 67% | 0.672 | S | S | * | * | 109.7 | 105.4 | 114.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 753 | G | 24.9 | Very low | 30.2 | Very low | 74 Ų | 74 | 108.4 Ų | 108.4 | 76% | 0.763 | 66% | 0.663 | S | S | * | * | trans | 158 | 111.7 | 160.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 754 | P | 35 | Very low | 30.7 | Very low | 138 Ų | 138 | 103.5 Ų | 103.5 | 90% | 0.896 | 63% | 0.629 | S | S | * | * | trans | -89.5 | 143 | 179.7 | 34.7 | -28.9 | 0 | 0 | 0 | 110.5 | ||||
| 755 | G | 36.6 | Very low | 31.4 | Very low | 66 Ų | 66 | 102 Ų | 102 | 68% | 0.68 | 60% | 0.604 | S | S | * | * | trans | 133.2 | 118.2 | 155.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 756 | R | 36.2 | Very low | 31.9 | Very low | 183 Ų | 183 | 98.6 Ų | 98.6 | 69% | 0.691 | 58% | 0.576 | S | S | * | * | S | Bend | trans | 87.3 | 80.6 | 156.4 | -55.3 | 178.9 | 172.5 | 177.5 | -0.3 | 117.2 | ||
| 757 | S | 36.8 | Very low | 32.5 | Very low | 93 Ų | 93 | 98 Ų | 98 | 65% | 0.65 | 57% | 0.569 | S | S | * | * | trans | -171.2 | 9.9 | 132.3 | 74.3 | 0 | 0 | 0 | 0 | 115.9 | V759 | S757-V759 PolarHBondContact O-N 3.42Š| ||
| 758 | H | 33.4 | Very low | 33 | Very low | 100 Ų | 100 | 96.9 Ų | 96.9 | 46% | 0.463 | 55% | 0.554 | S | S | . | * | G | 310 helix | trans | -58.9 | -38.1 | -173.6 | -88.7 | 30.3 | 0 | 0 | 0 | 114.7 | E198 A760 A761 L762 | E198-H758 HydrophobicContact CG-CB 4.45Å; E198-H758 IonicContact OE1-CD2 3.79Å; E198-H758 PolarHBondContact OE1-CD2 2.9Å; E198-H758 IonicContact OE1-CG 2.73Å; E198-H758 IonicContact OE1-NE2 2.71Å; H758-A760 VanDerWaalsContact C-N 3.27Å; H758-A760 PolarHBondContact O-N 3.27Å; H758-A760 VanDerWaalsContact O-N 3.08Å; H758-A761 PolarHBondContact O-N 3.46Å; H758-L762 WeakPolarHBondContact O-CD1 3.47Å; H758-L762 WeakPolarHBondContact O-CG 3.2Å |
| 759 | V | 34 | Very low | 33.6 | Very low | 19 Ų | 19 | 92.5 Ų | 92.5 | 12% | 0.115 | 53% | 0.53 | C | S | . | . | G | 310 helix | trans | -69.7 | -15 | -168.8 | 175.2 | 0 | 0 | 0 | 0 | 115.1 | C12 W16 V199 S757 | C12-V759 VanDerWaalsContact SG-CB 3.53Å; C12-V759 WeakPolarHBondContact SG-CG2 3.25Å; W16-V759 HydrophobicContact CB-CG1 3.9Å; W16-V759 HydrophobicContact CB-CG2 3.89Å; W16-V759 HydrophobicContact CD2-CG2 4.49Å; W16-V759 HydrophobicContact CE3-CB 4.43Å; W16-V759 HydrophobicContact CE3-CG1 4.05Å; W16-V759 HydrophobicContact CE3-CG2 4.47Å; W16-V759 HydrophobicContact CG-CG2 4.28Å; V199-V759 HydrophobicContact CG1-CG2 4.03Å; S757-V759 PolarHBondContact O-N 3.42Å |
| 760 | A | 33 | Very low | 34.1 | Very low | 34 Ų | 34 | 90 Ų | 90 | 28% | 0.281 | 51% | 0.509 | S | S | . | . | G | 310 helix | trans | -97.3 | -23.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | A671 H758 L762 | A671-A760 HydrophobicContact CB-CB 4.36Å; H758-A760 VanDerWaalsContact C-N 3.27Å; H758-A760 PolarHBondContact O-N 3.27Å; H758-A760 VanDerWaalsContact O-N 3.08Å; A760-L762 PolarHBondContact O-N 3.08Å |
| 761 | A | 36 | Very low | 34.6 | Very low | 52 Ų | 52 | 88.5 Ų | 88.5 | 43% | 0.43 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -76.7 | -3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | H758 S764 | H758-A761 PolarHBondContact O-N 3.46Å; A761-S764 VanDerWaalsContact C-OG 3.27Å; A761-S764 PolarHBondContact O-OG 2.79Å |
| 762 | L | 40.9 | Very low | 35 | Very low | 3 Ų | 3 | 81 Ų | 81 | 2% | 0.016 | 47% | 0.468 | C | S | . | . | S | Bend | trans | -116.2 | -17.2 | -159.6 | -63.8 | 158.7 | 0 | 0 | 0 | 115.2 | W16 F167 E198 H758 A760 S764 R765 F766 | W16-L762 HydrophobicContact CE3-CD1 4.16Å; W16-L762 HydrophobicContact CH2-CB 3.6Å; W16-L762 HydrophobicContact CH2-CD1 3.21Å; W16-L762 HydrophobicContact CH2-CG 4.02Å; W16-L762 HydrophobicContact CZ2-CD1 3.88Å; W16-L762 HydrophobicContact CZ3-CB 3.61Å; W16-L762 HydrophobicContact CZ3-CD1 3.37Å; W16-L762 HydrophobicContact CZ3-CG 4.19Å; F167-L762 HydrophobicContact CE2-CD2 4.48Å; E198-L762 HydrophobicContact CB-CD1 4.37Å; E198-L762 VanDerWaalsContact CD-CD2 3.43Å; E198-L762 HydrophobicContact CG-CD1 3.24Å; E198-L762 HydrophobicContact CG-CD2 4.31Å; E198-L762 HydrophobicContact CG-CG 4.35Å; E198-L762 WeakPolarHBondContact OE1-CD1 3.25Å; E198-L762 WeakPolarHBondContact OE1-CD2 3.49Å; E198-L762 WeakPolarHBondContact OE2-CD2 3.43Å; H758-L762 WeakPolarHBondContact O-CD1 3.47Å; H758-L762 WeakPolarHBondContact O-CG 3.2Å; A760-L762 PolarHBondContact O-N 3.08Å; L762-S764 VanDerWaalsContact C-N 3.3Å; L762-R765 HydrophobicContact CD2-CB 4.38Å; L762-R765 WeakPolarHBondContact O-CB 3.5Å; L762-R765 PolarHBondContact O-N 3.39Å; L762-F766 PolarHBondContact O-N 2.89Å |
| 763 | R | 31.8 | Very low | 35.5 | Very low | 160 Ų | 160 | 81.1 Ų | 81.1 | 60% | 0.604 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -69.8 | -36.2 | 168.4 | -142.6 | 175.5 | 170.6 | 131.5 | -6.3 | 110.1 | R765 | R763-R765 PolarHBondContact O-N 3.33Å |
| 764 | S | 40.1 | Very low | 36.1 | Very low | 12 Ų | 12 | 80.2 Ų | 80.2 | 8% | 0.084 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -59.8 | -30.6 | 164.6 | 34 | 0 | 0 | 0 | 0 | 112.3 | H666 A761 L762 E767 L768 | H666-S764 VanDerWaalsContact O-CB 3.3Å; H666-S764 WeakPolarHBondContact O-CB 3.27Å; A761-S764 VanDerWaalsContact C-OG 3.27Å; A761-S764 PolarHBondContact O-OG 2.79Å; L762-S764 VanDerWaalsContact C-N 3.3Å; S764-E767 PolarHBondContact O-N 3.04Å; S764-L768 WeakPolarHBondContact O-CA 3.25Å; S764-L768 WeakPolarHBondContact O-CB 3.28Å; S764-L768 PolarHBondContact O-N 3.18Å |
| 765 | R | 38.2 | Very low | 36 | Very low | 93 Ų | 93 | 82.9 Ų | 82.9 | 35% | 0.351 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -75.3 | -37.3 | -172.6 | -159 | 175.3 | -174.4 | 158.5 | 1.5 | 113.2 | F167 L762 R763 E767 L768 E769 | F167-R765 VanDerWaalsContact CZ-CZ 3.41Å; L762-R765 HydrophobicContact CD2-CB 4.38Å; L762-R765 WeakPolarHBondContact O-CB 3.5Å; L762-R765 PolarHBondContact O-N 3.39Å; R763-R765 PolarHBondContact O-N 3.33Å; R765-E767 VanDerWaalsContact C-N 3.29Å; R765-E767 PolarHBondContact O-N 3.48Å; R765-L768 PolarHBondContact O-N 3.22Å; R765-E769 WeakPolarHBondContact O-CB 3.31Å; R765-E769 PolarHBondContact O-N 3.08Å |
| 766 | F | 36.8 | Very low | 35.7 | Very low | 30 Ų | 30 | 82.2 Ų | 82.2 | 13% | 0.132 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -58.7 | -41.9 | 170.2 | -88.1 | -97.6 | 0 | 0 | 0 | 112.2 | G133 A165 V166 L762 Y770 | G133-F766 VanDerWaalsContact CA-CE1 3.44Å; A165-F766 VanDerWaalsContact C-CE2 3.5Å; A165-F766 HydrophobicContact CB-CD1 3.97Å; A165-F766 HydrophobicContact CB-CD2 3.81Å; A165-F766 HydrophobicContact CB-CE1 3.71Å; A165-F766 HydrophobicContact CB-CE2 3.49Å; A165-F766 VanDerWaalsContact CB-CE2 3.49Å; A165-F766 HydrophobicContact CB-CG 4.02Å; A165-F766 HydrophobicContact CB-CZ 3.45Å; A165-F766 VanDerWaalsContact CB-CZ 3.45Å; V166-F766 HydrophobicContact CB-CE2 4.39Å; V166-F766 HydrophobicContact CG1-CE2 3.36Å; V166-F766 HydrophobicContact CG1-CZ 3.67Å; L762-F766 PolarHBondContact O-N 2.89Å; F766-Y770 WeakPolarHBondContact O-CB 3.36Å; F766-Y770 PolarHBondContact O-N 3.46Å |
| 767 | E | 36.4 | Very low | 35.7 | Very low | 140 Ų | 140 | 78.9 Ų | 78.9 | 65% | 0.654 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -81.5 | -33.6 | 179.9 | -68.9 | -174.7 | 171.5 | 0 | 0 | 113.1 | S764 R765 A771 | S764-E767 PolarHBondContact O-N 3.04Å; R765-E767 VanDerWaalsContact C-N 3.29Å; R765-E767 PolarHBondContact O-N 3.48Å; E767-A771 WeakPolarHBondContact O-CB 3.36Å; E767-A771 PolarHBondContact O-N 3.21Å |
| 768 | L | 35.8 | Very low | 35.5 | Very low | 91 Ų | 91 | 76.4 Ų | 76.4 | 48% | 0.476 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -77.9 | -40 | -178.8 | -167.8 | 87.6 | 0 | 0 | 0 | 110.7 | S764 R765 A771 L772 | S764-L768 WeakPolarHBondContact O-CA 3.25Å; S764-L768 WeakPolarHBondContact O-CB 3.28Å; S764-L768 PolarHBondContact O-N 3.18Å; R765-L768 PolarHBondContact O-N 3.22Å; L768-A771 CarbonylContact O-C 3.34Å; L768-A771 PolarHBondContact O-N 3.47Å; L768-L772 HydrophobicContact CD2-CD1 4.33Å; L768-L772 HydrophobicContact CG-CD1 4.11Å; L768-L772 VanDerWaalsContact O-CB 3.26Å; L768-L772 WeakPolarHBondContact O-CB 3.27Å; L768-L772 WeakPolarHBondContact O-CD1 3.34Å; L768-L772 WeakPolarHBondContact O-CG 3.24Å; L768-L772 PolarHBondContact O-N 3.01Å |
| 769 | E | 37.3 | Very low | 35.4 | Very low | 67 Ų | 67 | 79.4 Ų | 79.4 | 31% | 0.313 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -74.5 | -35.1 | 176 | -156.2 | 162.8 | -138.6 | 0 | 0 | 110.9 | R765 L772 N773 | R765-E769 WeakPolarHBondContact O-CB 3.31Å; R765-E769 PolarHBondContact O-N 3.08Å; E769-L772 PolarHBondContact O-N 2.97Å; E769-N773 WeakPolarHBondContact O-CB 3.14Å; E769-N773 PolarHBondContact O-N 3.34Å |
| 770 | Y | 38 | Very low | 35.2 | Very low | 117 Ų | 117 | 87.9 Ų | 87.9 | 46% | 0.459 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.4 | -46.9 | 162.2 | 176.8 | -100.5 | 0 | 0 | 0 | 111.3 | F766 L772 N773 T774 | F766-Y770 WeakPolarHBondContact O-CB 3.36Å; F766-Y770 PolarHBondContact O-N 3.46Å; Y770-L772 VanDerWaalsContact C-N 3.34Å; Y770-L772 PolarHBondContact O-N 3.05Å; Y770-N773 PolarHBondContact O-N 3.49Å; Y770-T774 WeakPolarHBondContact O-CA 3.47Å; Y770-T774 WeakPolarHBondContact O-CB 3.38Å; Y770-T774 PolarHBondContact O-N 3.2Å; Y770-T774 PolarHBondContact O-OG1 3.01Å |
| 771 | A | 34.6 | Very low | 35.1 | Very low | 45 Ų | 45 | 88 Ų | 88 | 37% | 0.372 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.4 | -33.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E767 L768 R775 | E767-A771 WeakPolarHBondContact O-CB 3.36Å; E767-A771 PolarHBondContact O-N 3.21Å; L768-A771 CarbonylContact O-C 3.34Å; L768-A771 PolarHBondContact O-N 3.47Å; A771-R775 VanDerWaalsContact O-CB 3.31Å; A771-R775 WeakPolarHBondContact O-CB 3.34Å; A771-R775 PolarHBondContact O-N 3.39Å |
| 772 | L | 33.8 | Very low | 34.8 | Very low | 99 Ų | 99 | 92.2 Ų | 92.2 | 52% | 0.518 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -72.6 | -44.5 | 176.8 | -73.4 | 164.1 | 0 | 0 | 0 | 111.1 | L768 E769 Y770 R775 A776 | L768-L772 HydrophobicContact CD2-CD1 4.33Å; L768-L772 HydrophobicContact CG-CD1 4.11Å; L768-L772 VanDerWaalsContact O-CB 3.26Å; L768-L772 WeakPolarHBondContact O-CB 3.27Å; L768-L772 WeakPolarHBondContact O-CD1 3.34Å; L768-L772 WeakPolarHBondContact O-CG 3.24Å; L768-L772 PolarHBondContact O-N 3.01Å; E769-L772 PolarHBondContact O-N 2.97Å; Y770-L772 VanDerWaalsContact C-N 3.34Å; Y770-L772 PolarHBondContact O-N 3.05Å; L772-R775 PolarHBondContact O-N 2.92Å; L772-A776 PolarHBondContact O-N 3.26Å |
| 773 | N | 36.6 | Very low | 34.3 | Very low | 88 Ų | 88 | 96.9 Ų | 96.9 | 47% | 0.471 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -69.7 | -33.5 | 173.2 | -80.6 | -20.9 | 0 | 0 | 0 | 112.5 | E769 Y770 A776 Y777 | E769-N773 WeakPolarHBondContact O-CB 3.14Å; E769-N773 PolarHBondContact O-N 3.34Å; Y770-N773 PolarHBondContact O-N 3.49Å; N773-A776 PolarHBondContact O-N 3.48Å; N773-Y777 WeakPolarHBondContact O-CB 3.36Å; N773-Y777 PolarHBondContact O-N 2.95Å |
| 774 | T | 36.1 | Very low | 34.2 | Very low | 55 Ų | 55 | 94.3 Ų | 94.3 | 34% | 0.337 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -69.6 | -33.9 | 173.1 | -54.6 | 0 | 0 | 0 | 0 | 111.3 | Y770 Y777 A778 | Y770-T774 WeakPolarHBondContact O-CA 3.47Å; Y770-T774 WeakPolarHBondContact O-CB 3.38Å; Y770-T774 PolarHBondContact O-N 3.2Å; Y770-T774 PolarHBondContact O-OG1 3.01Å; T774-Y777 PolarHBondContact O-N 2.88Å; T774-A778 VanDerWaalsContact O-CB 3.25Å; T774-A778 WeakPolarHBondContact O-CB 3.28Å; T774-A778 PolarHBondContact O-N 3.39Å |
| 775 | R | 33.5 | Very low | 33.6 | Very low | 194 Ų | 194 | 103.8 Ų | 103.8 | 73% | 0.732 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.5 | -41.3 | 172.4 | -99.5 | -178.7 | 171.4 | 165.6 | -0.3 | 112.4 | A771 L772 Y777 A778 F779 | A771-R775 VanDerWaalsContact O-CB 3.31Å; A771-R775 WeakPolarHBondContact O-CB 3.34Å; A771-R775 PolarHBondContact O-N 3.39Å; L772-R775 PolarHBondContact O-N 2.92Å; R775-Y777 VanDerWaalsContact C-N 3.31Å; R775-Y777 PolarHBondContact O-N 2.96Å; R775-A778 PolarHBondContact O-N 2.78Å; R775-F779 PolarHBondContact O-N 3.48Å; R775-F779 VanDerWaalsContact O-N 3.15Å |
| 776 | A | 31 | Very low | 33.3 | Very low | 52 Ų | 52 | 110.7 Ų | 110.7 | 43% | 0.43 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.6 | -46.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | L772 N773 F779 W780 | L772-A776 PolarHBondContact O-N 3.26Å; N773-A776 PolarHBondContact O-N 3.48Å; A776-F779 WeakPolarHBondContact O-CB 3.25Å; A776-F779 PolarHBondContact O-N 3.29Å; A776-W780 PolarHBondContact O-N 2.95Å |
| 777 | Y | 36.6 | Very low | 33.1 | Very low | 112 Ų | 112 | 120.6 Ų | 120.6 | 44% | 0.439 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69 | -34.9 | 179.4 | -162.4 | -100.3 | 0 | 0 | 0 | 114.6 | N773 T774 R775 F779 W780 T781 | N773-Y777 WeakPolarHBondContact O-CB 3.36Å; N773-Y777 PolarHBondContact O-N 2.95Å; T774-Y777 PolarHBondContact O-N 2.88Å; R775-Y777 VanDerWaalsContact C-N 3.31Å; R775-Y777 PolarHBondContact O-N 2.96Å; Y777-F779 VanDerWaalsContact C-N 3.3Å; Y777-F779 PolarHBondContact O-N 3Å; Y777-W780 PolarHBondContact O-N 3.26Å; Y777-T781 HydrophobicContact CD1-CG2 3.85Å; Y777-T781 HydrophobicContact CE1-CG2 3.52Å; Y777-T781 WeakPolarHBondContact O-CB 3.31Å; Y777-T781 WeakPolarHBondContact O-CG2 3.42Å; Y777-T781 PolarHBondContact O-N 3.16Å; Y777-T781 PolarHBondContact O-OG1 2.92Å |
| 778 | A | 32.8 | Very low | 32.7 | Very low | 42 Ų | 42 | 118.5 Ų | 118.5 | 35% | 0.347 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.2 | -35.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | T774 R775 T781 Q782 | T774-A778 VanDerWaalsContact O-CB 3.25Å; T774-A778 WeakPolarHBondContact O-CB 3.28Å; T774-A778 PolarHBondContact O-N 3.39Å; R775-A778 PolarHBondContact O-N 2.78Å; A778-T781 WeakPolarHBondContact CA-OG1 3.14Å; A778-T781 PolarHBondContact O-OG1 2.83Å; A778-Q782 WeakPolarHBondContact O-CB 3.27Å; A778-Q782 WeakPolarHBondContact O-CG 3.15Å; A778-Q782 PolarHBondContact O-N 3.13Å |
| 779 | F | 30.1 | Very low | 32.5 | Very low | 162 Ų | 162 | 120.2 Ų | 120.2 | 71% | 0.711 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67 | -40.1 | 175.8 | -163.4 | -97.8 | 0 | 0 | 0 | 111.8 | R775 A776 Y777 | R775-F779 PolarHBondContact O-N 3.48Å; R775-F779 VanDerWaalsContact O-N 3.15Å; A776-F779 WeakPolarHBondContact O-CB 3.25Å; A776-F779 PolarHBondContact O-N 3.29Å; Y777-F779 VanDerWaalsContact C-N 3.3Å; Y777-F779 PolarHBondContact O-N 3Å |
| 780 | W | 29.2 | Very low | 32.4 | Very low | 197 Ų | 197 | 120.9 Ų | 120.9 | 75% | 0.746 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -73.9 | -36.2 | 175.5 | -72.8 | 100.2 | 0 | 0 | 0 | 113.4 | A776 Y777 S783 | A776-W780 PolarHBondContact O-N 2.95Å; Y777-W780 PolarHBondContact O-N 3.26Å; W780-S783 WeakPolarHBondContact O-CB 3.46Å; W780-S783 PolarHBondContact O-N 3.16Å |
| 781 | T | 31.1 | Very low | 32.2 | Very low | 38 Ų | 38 | 119.1 Ų | 119.1 | 23% | 0.233 | 62% | 0.624 | C | S | . | * | H | α-helix | trans | -77.3 | -24.1 | 179.3 | 47.2 | 0 | 0 | 0 | 0 | 114 | Y777 A778 S783 E784 R785 | Y777-T781 HydrophobicContact CD1-CG2 3.85Å; Y777-T781 HydrophobicContact CE1-CG2 3.52Å; Y777-T781 WeakPolarHBondContact O-CB 3.31Å; Y777-T781 WeakPolarHBondContact O-CG2 3.42Å; Y777-T781 PolarHBondContact O-N 3.16Å; Y777-T781 PolarHBondContact O-OG1 2.92Å; A778-T781 WeakPolarHBondContact CA-OG1 3.14Å; A778-T781 PolarHBondContact O-OG1 2.83Å; T781-S783 PolarHBondContact O-N 3.12Å; T781-E784 PolarHBondContact O-N 3.34Å; T781-R785 WeakPolarHBondContact O-CB 3.24Å; T781-R785 PolarHBondContact O-N 3.35Å |
| 782 | Q | 31.1 | Very low | 32.6 | Very low | 139 Ų | 139 | 122 Ų | 122 | 65% | 0.65 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -64.5 | -26.9 | 168.9 | -83.6 | -176.3 | -0 | 0 | 0 | 112.4 | A778 | A778-Q782 WeakPolarHBondContact O-CB 3.27Å; A778-Q782 WeakPolarHBondContact O-CG 3.15Å; A778-Q782 PolarHBondContact O-N 3.13Å |
| 783 | S | 28.8 | Very low | 33.1 | Very low | 101 Ų | 101 | 120.5 Ų | 120.5 | 71% | 0.706 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -74.7 | -28.1 | 173.8 | -161.5 | 0 | 0 | 0 | 0 | 113.1 | W780 T781 | W780-S783 WeakPolarHBondContact O-CB 3.46Å; W780-S783 PolarHBondContact O-N 3.16Å; T781-S783 PolarHBondContact O-N 3.12Å |
| 784 | E | 30 | Very low | 33.5 | Very low | 107 Ų | 107 | 119.1 Ų | 119.1 | 50% | 0.5 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -91.9 | -22.1 | 175.7 | -76.6 | -176.7 | 171.7 | 0 | 0 | 113.2 | R93 T781 R786 R787 | R93-E784 IonicContact CZ-OE1 2.84Å; R93-E784 IonicContact NH1-OE1 3.91Å; R93-E784 PolarHBondContact NH1-OE1 3.43Å; R93-E784 IonicContact NH1-OE2 3.5Å; R93-E784 IonicContact NH2-OE1 3.85Å; R93-E784 PolarHBondContact NH2-OE1 3.28Å; T781-E784 PolarHBondContact O-N 3.34Å; E784-R786 PolarHBondContact O-N 2.69Å; E784-R787 PolarHBondContact O-N 3.22Å |
| 785 | R | 28.6 | Very low | 34.1 | Very low | 210 Ų | 210 | 121.5 Ų | 121.5 | 79% | 0.792 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -9.1 | 179.5 | -96.5 | -176 | 175 | 179.9 | 0.4 | 115.3 | T781 R787 | T781-R785 WeakPolarHBondContact O-CB 3.24Å; T781-R785 PolarHBondContact O-N 3.35Å; R785-R787 PolarHBondContact O-N 3.27Å |
| 786 | R | 31.5 | Very low | 35 | Very low | 238 Ų | 238 | 115 Ų | 115 | 90% | 0.898 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 2.9 | 166.9 | -78.6 | -172.8 | 176 | -174.6 | -0.1 | 113.6 | E784 | E784-R786 PolarHBondContact O-N 2.69Š|
| 787 | R | 31.5 | Very low | 35.8 | Very low | 239 Ų | 239 | 113.6 Ų | 113.6 | 90% | 0.902 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -136.1 | 11.5 | -175.8 | -81.4 | -168.7 | -179 | 175.7 | 1.5 | 119.3 | E784 R785 | E784-R787 PolarHBondContact O-N 3.22Å; R785-R787 PolarHBondContact O-N 3.27Å |
| 788 | A | 29.3 | Very low | 36.4 | Very low | 95 Ų | 95 | 114.6 Ų | 114.6 | 79% | 0.785 | 60% | 0.596 | S | S | * | * | trans | -149.1 | 102.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 789 | S | 30.4 | Very low | 37.2 | Very low | 128 Ų | 128 | 120.6 Ų | 120.6 | 90% | 0.895 | 61% | 0.61 | S | S | * | * | trans | -107.6 | 122.1 | 161.7 | 56.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 790 | G | 36.6 | Very low | 38 | Very low | 80 Ų | 80 | 117.8 Ų | 117.8 | 83% | 0.825 | 60% | 0.603 | S | S | * | * | trans | 127.1 | 94.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 791 | G | 32.6 | Very low | 38.6 | Very low | 80 Ų | 80 | 110.5 Ų | 110.5 | 83% | 0.825 | 58% | 0.577 | S | S | * | * | trans | -107.4 | 129.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 792 | L | 43.5 | Very low | 38.8 | Very low | 107 Ų | 107 | 116 Ų | 116 | 56% | 0.56 | 60% | 0.6 | S | S | * | * | trans | -96 | 158.8 | -173.6 | -74.5 | -173.7 | 0 | 0 | 0 | 112.4 | E796 | L792-E796 WeakPolarHBondContact CA-OE2 3.48Å; L792-E796 WeakPolarHBondContact CB-OE2 3.02Å; L792-E796 VanDerWaalsContact CD2-OE1 3.27Å; L792-E796 WeakPolarHBondContact CD2-OE1 3.43Å; L792-E796 WeakPolarHBondContact CD2-OE2 3.45Å | ||
| 793 | S | 43.6 | Very low | 39.1 | Very low | 66 Ų | 66 | 116.7 Ų | 116.7 | 46% | 0.462 | 60% | 0.602 | S | S | . | * | trans | -87.3 | 162.2 | -170 | 69 | 0 | 0 | 0 | 0 | 114.1 | E795 E796 | S793-E795 PolarHBondContact O-N 3.47Å; S793-E796 PolarHBondContact N-OE2 3.3Å; S793-E796 WeakPolarHBondContact O-CB 3.39Å; S793-E796 PolarHBondContact O-N 3.01Å; S793-E796 PolarHBondContact OG-OE2 3Å | ||
| 794 | L | 45.3 | Very low | 39.1 | Very low | 60 Ų | 60 | 117 Ų | 117 | 31% | 0.314 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -55.9 | -31.2 | 179.5 | -162 | 84.7 | 0 | 0 | 0 | 113.1 | Y62 E796 I797 R798 | Y62-L794 HydrophobicContact CE2-CD1 3.72Å; Y62-L794 WeakPolarHBondContact OH-CD1 3.34Å; L794-E796 PolarHBondContact O-N 3.22Å; L794-I797 PolarHBondContact O-N 3.25Å; L794-R798 PolarHBondContact O-N 2.92Å |
| 795 | E | 49.9 | Very low | 39.3 | Very low | 104 Ų | 104 | 118 Ų | 118 | 49% | 0.486 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -58.3 | -30.1 | 174.9 | -80.3 | -75.8 | 140 | 0 | 0 | 113 | S793 R798 R799 | S793-E795 PolarHBondContact O-N 3.47Å; E795-R798 WeakPolarHBondContact O-CB 3.49Å; E795-R798 PolarHBondContact O-N 3.27Å; E795-R799 PolarHBondContact O-N 3.42Å; E795-R799 VanDerWaalsContact O-N 3.17Å |
| 796 | E | 51.8 | Low | 39.6 | Very low | 57 Ų | 57 | 114.8 Ų | 114.8 | 27% | 0.266 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -81 | -24.5 | -179.1 | -73.5 | 159.7 | 123.7 | 0 | 0 | 112.8 | L792 S793 L794 R799 N800 | L792-E796 WeakPolarHBondContact CA-OE2 3.48Å; L792-E796 WeakPolarHBondContact CB-OE2 3.02Å; L792-E796 VanDerWaalsContact CD2-OE1 3.27Å; L792-E796 WeakPolarHBondContact CD2-OE1 3.43Å; L792-E796 WeakPolarHBondContact CD2-OE2 3.45Å; S793-E796 PolarHBondContact N-OE2 3.3Å; S793-E796 WeakPolarHBondContact O-CB 3.39Å; S793-E796 PolarHBondContact O-N 3.01Å; S793-E796 PolarHBondContact OG-OE2 3Å; L794-E796 PolarHBondContact O-N 3.22Å; E796-R799 PolarHBondContact O-N 3.39Å; E796-N800 PolarHBondContact O-N 2.84Å |
| 797 | I | 47.4 | Very low | 40.2 | Very low | 23 Ų | 23 | 109 Ų | 109 | 12% | 0.118 | 60% | 0.603 | C | S | . | * | H | α-helix | trans | -68.1 | -40.8 | 168.6 | -66.1 | 175.3 | 0 | 0 | 0 | 109.7 | Y62 L794 R799 N800 M801 | Y62-I797 HydrophobicContact CD1-CD1 4.21Å; Y62-I797 HydrophobicContact CD2-CD1 3.35Å; Y62-I797 HydrophobicContact CE2-CD1 3.89Å; Y62-I797 HydrophobicContact CG-CD1 3.53Å; L794-I797 PolarHBondContact O-N 3.25Å; I797-R799 PolarHBondContact O-N 3.34Å; I797-N800 PolarHBondContact O-N 2.99Å; I797-M801 HydrophobicContact CG2-CE 3.58Å; I797-M801 WeakPolarHBondContact O-CG 3.26Å; I797-M801 PolarHBondContact O-N 3.48Å |
| 798 | R | 48.6 | Very low | 40.6 | Very low | 133 Ų | 133 | 109.6 Ų | 109.6 | 50% | 0.502 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -58.4 | -44.1 | 173.4 | -107.4 | -177.7 | -170.4 | 171.1 | 2.2 | 112.6 | L794 E795 N800 M801 | L794-R798 PolarHBondContact O-N 2.92Å; E795-R798 WeakPolarHBondContact O-CB 3.49Å; E795-R798 PolarHBondContact O-N 3.27Å; R798-N800 VanDerWaalsContact C-N 3.32Å; R798-N800 PolarHBondContact O-N 2.85Å; R798-M801 PolarHBondContact O-N 3.15Å |
| 799 | R | 51 | Low | 41.2 | Very low | 168 Ų | 168 | 111.4 Ų | 111.4 | 63% | 0.634 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -64.1 | -35.6 | 177.3 | -75.5 | -176.8 | -168.7 | 161.2 | 5.2 | 112.9 | E795 E796 I797 M801 | E795-R799 PolarHBondContact O-N 3.42Å; E795-R799 VanDerWaalsContact O-N 3.17Å; E796-R799 PolarHBondContact O-N 3.39Å; I797-R799 PolarHBondContact O-N 3.34Å; R799-M801 VanDerWaalsContact C-N 3.31Å; R799-M801 PolarHBondContact O-N 3.11Å |
| 800 | N | 45.2 | Very low | 41.6 | Very low | 104 Ų | 104 | 108.1 Ų | 108.1 | 56% | 0.556 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -79.2 | -11.3 | 179.4 | -72.9 | -15.7 | 0 | 0 | 0 | 114 | E796 I797 R798 | E796-N800 PolarHBondContact O-N 2.84Å; I797-N800 PolarHBondContact O-N 2.99Å; R798-N800 VanDerWaalsContact C-N 3.32Å; R798-N800 PolarHBondContact O-N 2.85Å |
| 801 | M | 42.4 | Very low | 41.4 | Very low | 44 Ų | 44 | 114.7 Ų | 114.7 | 22% | 0.217 | 59% | 0.589 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -98.7 | -1.4 | 176.8 | -68.2 | -142.6 | -139.4 | 0 | 0 | 114.4 | A48 A54 V58 I797 R798 R799 F803 | A48-M801 HydrophobicContact CB-CE 3.95Å; A54-M801 HydrophobicContact CB-SD 4.24Å; V58-M801 HydrophobicContact CG2-CE 4.34Å; I797-M801 HydrophobicContact CG2-CE 3.58Å; I797-M801 WeakPolarHBondContact O-CG 3.26Å; I797-M801 PolarHBondContact O-N 3.48Å; R798-M801 PolarHBondContact O-N 3.15Å; R799-M801 VanDerWaalsContact C-N 3.31Å; R799-M801 PolarHBondContact O-N 3.11Å; M801-F803 PolarHBondContact O-N 3.02Å; M801-F803 VanDerWaalsContact O-N 3.14Å |
| 802 | Q | 35.1 | Very low | 42 | Very low | 153 Ų | 153 | 117.4 Ų | 117.4 | 72% | 0.715 | 59% | 0.59 | S | S | * | * | trans | -72.6 | 110 | -178.6 | -78.9 | -178.6 | 0.1 | 0 | 0 | 112.3 | ||||
| 803 | F | 37 | Very low | 41.4 | Very low | 154 Ų | 154 | 117.8 Ų | 117.8 | 68% | 0.675 | 60% | 0.601 | S | S | * | * | trans | -73.1 | 155.6 | 140 | -78 | -83.3 | 0 | 0 | 0 | 109.1 | M801 | M801-F803 PolarHBondContact O-N 3.02Å; M801-F803 VanDerWaalsContact O-N 3.14Å | ||
| 804 | S | 29.9 | Very low | 41 | Very low | 106 Ų | 106 | 121.5 Ų | 121.5 | 74% | 0.741 | 62% | 0.616 | S | S | * | * | trans | -45.5 | 142.6 | -174.1 | -52.3 | 0 | 0 | 0 | 0 | 113.8 | I806 | S804-I806 PolarHBondContact O-N 3Š| ||
| 805 | P | 33.1 | Very low | 41.1 | Very low | 128 Ų | 128 | 123 Ų | 123 | 83% | 0.831 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 126 | -179.1 | 28.6 | -31.5 | 0 | 0 | 0 | 110.1 | ||
| 806 | I | 35.7 | Very low | 40.2 | Very low | 144 Ų | 144 | 126.1 Ų | 126.1 | 74% | 0.738 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -88 | 127.1 | 165.6 | -62.7 | 167.3 | 0 | 0 | 0 | 106.4 | S804 | S804-I806 PolarHBondContact O-N 3Š|
| 807 | D | 44.2 | Very low | 39 | Very low | 117 Ų | 117 | 129.2 Ų | 129.2 | 63% | 0.626 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 166.9 | 170.8 | 95.8 | 5.5 | 0 | 0 | 0 | 111.3 | N809 G810 | D807-N809 PolarHBondContact O-N 3.41Å; D807-N809 PolarHBondContact OD1-N 2.93Å; D807-G810 PolarHBondContact O-N 2.82Å |
| 808 | R | 40.2 | Very low | 38.3 | Very low | 251 Ų | 251 | 134 Ų | 134 | 95% | 0.947 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -2.6 | -172.3 | -83.8 | -177.6 | 174.1 | 179.2 | -1.8 | 116.1 | ||
| 809 | N | 40.8 | Very low | 37.2 | Very low | 133 Ų | 133 | 136.1 Ų | 136.1 | 71% | 0.711 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.8 | 8.4 | -178 | -67.5 | -10.9 | 0 | 0 | 0 | 115.3 | D807 Y811 | D807-N809 PolarHBondContact O-N 3.41Å; D807-N809 PolarHBondContact OD1-N 2.93Å; N809-Y811 WeakPolarHBondContact O-CD2 3.33Å; N809-Y811 PolarHBondContact O-N 2.95Å |
| 810 | G | 39.5 | Very low | 36.1 | Very low | 58 Ų | 58 | 138 Ų | 138 | 60% | 0.598 | 73% | 0.729 | S | S | * | * | trans | 66.7 | 34 | 158.3 | 0 | 0 | 0 | 0 | 0 | 118 | D807 | D807-G810 PolarHBondContact O-N 2.82Š| ||
| 811 | Y | 33.3 | Very low | 35.2 | Very low | 218 Ų | 218 | 141.9 Ų | 141.9 | 86% | 0.855 | 74% | 0.742 | S | S | * | * | trans | -113.5 | 137.6 | 170 | -78.4 | -82 | 0 | 0 | 0 | 113.1 | N809 | N809-Y811 WeakPolarHBondContact O-CD2 3.33Å; N809-Y811 PolarHBondContact O-N 2.95Å | ||
| 812 | V | 43.5 | Very low | 34.5 | Very low | 138 Ų | 138 | 150.7 Ų | 150.7 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | trans | -100.6 | 128.7 | 170.2 | 177.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 813 | S | 31.6 | Very low | 34.1 | Very low | 114 Ų | 114 | 148.5 Ų | 148.5 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | trans | -143.5 | 85.3 | 165.8 | 42.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 814 | D | 36.2 | Very low | 33.6 | Very low | 145 Ų | 145 | 145.8 Ų | 145.8 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | 40.2 | 167.5 | 115.1 | -134.9 | 25.2 | 0 | 0 | 0 | 121 | |||||
| 815 | P | 45.9 | Very low | 33.6 | Very low | 92 Ų | 92 | 149.9 Ų | 149.9 | 60% | 0.597 | 78% | 0.779 | S | S | * | * | -117.5 | -166.2 | -111.6 | 39.3 | -17.1 | 0 | 0 | 0 | 109.1 | |||||
| 816 | M | 31 | Very low | 33.5 | Very low | 168 Ų | 168 | 148.7 Ų | 148.7 | 83% | 0.828 | 77% | 0.774 | S | S | * | * | trans | 80.9 | 92.9 | 179.7 | -58.2 | -91.9 | -73.2 | 0 | 0 | 115.4 | ||||
| 817 | S | 28.2 | Very low | 33.2 | Very low | 122 Ų | 122 | 146.4 Ų | 146.4 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | -159.2 | 89.1 | 120.3 | -149.7 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 818 | T | 30.9 | Very low | 32.6 | Very low | 123 Ų | 123 | 146.3 Ų | 146.3 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | -62.8 | 125.4 | 149 | 25.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 819 | M | 27.1 | Very low | 32.2 | Very low | 179 Ų | 179 | 137.5 Ų | 137.5 | 88% | 0.882 | 77% | 0.766 | S | S | * | * | trans | -175.8 | 119.1 | 136.8 | -83.4 | -125.5 | -165.3 | 0 | 0 | 111.3 | ||||
| 820 | R | 27 | Very low | 31.8 | Very low | 208 Ų | 208 | 136 Ų | 136 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | -9.8 | 143.5 | 145.8 | -51.9 | 172.6 | 177.8 | 171.3 | -1.8 | 114.8 | ||||
| 821 | F | 27.2 | Very low | 31.6 | Very low | 185 Ų | 185 | 141.4 Ų | 141.4 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | -172.1 | 163.7 | 67.1 | -109.8 | -81.3 | 0 | 0 | 0 | 112.8 | |||||
| 822 | R | 26.5 | Very low | 31.8 | Very low | 228 Ų | 228 | 138.7 Ų | 138.7 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | trans | -68.1 | 174.1 | 177.7 | -74 | 179.5 | 167.7 | -172.7 | -3.6 | 115.1 | ||||
| 823 | S | 26.4 | Very low | 31.4 | Very low | 107 Ų | 107 | 138.4 Ų | 138.4 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | 98.4 | 108 | 148.7 | 81.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 824 | S | 28.1 | Very low | 31.6 | Very low | 98 Ų | 98 | 139.4 Ų | 139.4 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | 97.6 | 139.3 | 55.8 | 66.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 825 | F | 29.2 | Very low | 31.9 | Very low | 191 Ų | 191 | 142.1 Ų | 142.1 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | 89.1 | 127.5 | 158.7 | -87.4 | -84.2 | 0 | 0 | 0 | 120.5 | ||||
| 826 | S | 30.9 | Very low | 31.3 | Very low | 103 Ų | 103 | 144.6 Ų | 144.6 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | trans | 65.6 | 147.9 | 140.1 | 62.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 827 | S | 29.7 | Very low | 31.3 | Very low | 97 Ų | 97 | 143.4 Ų | 143.4 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | cis | -177.1 | 163 | -14 | 53.7 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 828 | S | 31.6 | Very low | 31.4 | Very low | 115 Ų | 115 | 144.6 Ų | 144.6 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | 66.6 | 128.2 | 145.7 | 58.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 829 | G | 32 | Very low | 31.5 | Very low | 65 Ų | 65 | 145.8 Ų | 145.8 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | trans | 114.3 | 94.8 | 147.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 830 | S | 31.7 | Very low | 31.7 | Very low | 101 Ų | 101 | 143.8 Ų | 143.8 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | 75.5 | 140.1 | 71.6 | 72 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 831 | F | 35.6 | Very low | 32.1 | Very low | 173 Ų | 173 | 139.5 Ų | 139.5 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | trans | 87.8 | 110.7 | 179.7 | -64.1 | -81 | 0 | 0 | 0 | 114 | ||||
| 832 | E | 37.3 | Very low | 32.4 | Very low | 160 Ų | 160 | 136.2 Ų | 136.2 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | 53 | 123.5 | 81.9 | -65.6 | -176.4 | 164.5 | 0 | 0 | 109.3 | |||||
| 833 | D | 35 | Very low | 32.9 | Very low | 132 Ų | 132 | 129.2 Ų | 129.2 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | cis | -171.5 | 156.2 | 40.6 | -139 | -10.5 | 0 | 0 | 0 | 108.9 | ||||
| 834 | N | 37 | Very low | 33.4 | Very low | 136 Ų | 136 | 131 Ų | 131 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | 34.4 | 108.8 | 153.7 | -69.2 | -40 | 0 | 0 | 0 | 120.6 | ||||
| 835 | S | 42.7 | Very low | 33.9 | Very low | 201 Ų | 201 | 134 Ų | 134 | 100% | 1.406 | 80% | 0.797 | S | S | * | * | -169.9 | 0 | 104.1 | 7.5 | 0 | 0 | 0 | 0 | 112 |
Retrieved 835 of 835 residues in 872.6 ms
(Link to these results)